#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yea h LYS -8 N 0.00 -0.40 -0.34 0.00 3.64 -1.98 0.67 116.57 118.16 1yea h LYS -8 Ca 0.00 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1yea h LYS -8 Cb 0.00 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 1yea h LYS -8 CO 0.00 -0.27 -0.06 0.93 -2.27 0.00 0.00 179.45 177.79 1yea h GLU -7 N -0.41 0.03 -0.21 1.90 5.08 -1.99 1.37 114.58 120.34 1yea h GLU -7 Ca 0.06 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1yea h GLU -7 Cb 0.50 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 1yea h GLU -7 CO -0.23 0.02 -0.24 0.77 -1.00 0.00 0.00 179.01 178.33 1yea h SER -6 N 0.03 -0.77 0.30 1.42 0.02 -1.89 -2.16 113.55 110.50 1yea h SER -6 Ca 0.17 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1yea h SER -6 Cb 0.25 0.36 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 1yea h SER -6 CO -0.33 -0.28 -0.45 0.71 -1.14 0.00 0.00 176.83 175.34 1yea h THR -5 N -0.26 0.00 -4.32 -2.27 1.35 0.23 -3.45 112.91 104.18 1yea h THR -5 Ca 0.13 0.00 -0.39 0.00 -0.55 0.00 0.00 66.41 65.60 1yea h THR -5 Cb 0.46 0.00 0.02 0.00 -1.73 0.00 0.00 68.15 66.89 1yea h THR -5 CO -0.36 0.00 -0.56 0.61 -0.25 0.00 0.00 175.52 174.96 1yea n GLY -4 N -1.46 -0.51 3.18 5.82 0.00 0.45 -4.83 105.19 107.83 1yea n GLY -4 Ca -0.09 0.09 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 1yea n GLY -4 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1yea n PHE -3 N -4.23 0.88 -4.50 1.61 7.35 -1.26 -4.95 117.46 112.35 1yea n PHE -3 Ca -0.12 0.97 -0.33 0.00 -0.76 0.00 0.00 57.45 57.20 1yea n PHE -3 Cb 0.62 -1.89 -0.10 0.00 0.35 0.00 0.00 39.48 38.45 1yea n PHE -3 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1yea s LYS -2 N 0.83 2.71 0.53 -4.13 2.20 -1.26 -5.09 119.74 115.53 1yea s LYS -2 Ca 0.85 -0.60 -0.22 0.00 -0.36 0.00 0.00 55.97 55.64 1yea s LYS -2 Cb -1.19 -2.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.48 1yea s LYS -2 CO 0.58 0.64 1.31 -2.14 -0.36 0.00 0.00 175.35 175.38 1yea s PRO -1 N -1.11 3.29 0.00 4.03 0.02 -1.26 -4.75 135.00 135.22 1yea s PRO -1 Ca 0.15 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.29 1yea s PRO -1 Cb -0.11 -2.29 0.00 0.00 0.02 0.00 0.00 34.50 32.12 1yea s PRO -1 CO 0.05 -1.04 0.00 0.41 -0.33 0.00 0.00 177.00 176.09 1yea n GLY 1 N 0.66 5.86 3.54 0.52 0.00 -1.26 -4.95 105.19 109.55 1yea n GLY 1 Ca 0.10 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 1yea n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yea s SER 2 N 1.00 6.39 0.33 1.61 0.15 -1.26 -4.87 113.70 117.05 1yea s SER 2 Ca 0.00 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.47 1yea s SER 2 Cb 0.00 -2.45 0.58 0.00 -1.71 0.00 0.00 66.02 62.45 1yea s SER 2 CO 0.00 -1.19 1.95 0.00 1.20 0.00 0.00 173.24 175.20 1yea h ALA 3 N 9.26 1.45 0.37 5.45 0.00 -1.92 1.51 119.26 135.38 1yea h ALA 3 Ca -0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1yea h ALA 3 Cb 1.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1yea h ALA 3 CO 1.07 0.45 -0.38 0.87 0.00 0.00 0.00 179.25 181.26 1yea h LYS 4 N 0.78 -0.75 -0.64 0.00 1.57 -1.91 0.46 116.57 116.07 1yea h LYS 4 Ca 0.20 0.05 0.08 0.00 -1.87 0.00 0.00 60.65 59.11 1yea h LYS 4 Cb 0.06 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 1yea h LYS 4 CO -0.03 -0.50 0.31 -0.22 -0.57 0.00 0.00 179.45 178.44 1yea h LYS 5 N -0.78 0.54 -0.18 3.15 3.64 -1.63 0.28 116.57 121.59 1yea h LYS 5 Ca -0.03 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1yea h LYS 5 Cb 0.70 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1yea h LYS 5 CO -0.07 0.36 0.11 0.78 -2.27 0.00 0.00 179.45 178.36 1yea h GLY 6 N 0.56 0.26 -0.29 5.01 0.00 0.27 -1.38 103.07 107.50 1yea h GLY 6 Ca 0.31 -0.11 0.10 0.00 0.00 0.00 0.00 47.33 47.63 1yea h GLY 6 CO -0.24 0.11 -0.27 0.00 0.00 0.00 0.00 176.54 176.13 1yea h ALA 7 N 1.03 0.07 -0.09 3.60 0.00 0.20 -0.86 119.26 123.22 1yea h ALA 7 Ca 0.07 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1yea h ALA 7 Cb 0.02 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1yea h ALA 7 CO -0.01 -0.60 -0.36 1.79 0.00 0.00 0.00 179.25 180.06 1yea h THR 8 N -0.14 1.28 0.00 0.00 1.35 -0.88 -2.50 112.91 112.03 1yea h THR 8 Ca 0.24 -1.36 -0.08 0.00 -0.55 0.00 0.00 66.41 64.65 1yea h THR 8 Cb 0.52 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 1yea h THR 8 CO -0.62 0.40 -0.40 0.25 -0.25 0.00 0.00 175.52 174.90 1yea h LEU 9 N 0.15 0.00 -0.14 3.87 5.85 -0.12 -2.46 115.31 122.47 1yea h LEU 9 Ca 0.02 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1yea h LEU 9 Cb 0.72 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1yea h LEU 9 CO 0.05 0.40 0.01 0.15 -0.34 0.00 0.00 178.44 178.71 1yea h PHE 10 N 0.00 0.25 -0.48 1.25 3.04 -0.78 -2.08 116.94 118.13 1yea h PHE 10 Ca -0.00 -0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.85 1yea h PHE 10 Cb 0.98 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.40 1yea h PHE 10 CO 0.00 0.45 0.09 -0.22 -2.02 0.00 0.00 178.31 176.61 1yea h LYS 11 N -0.01 0.79 -0.00 1.11 3.11 -1.31 0.41 116.57 120.67 1yea h LYS 11 Ca 0.04 -0.21 0.00 0.00 -2.81 0.00 0.00 60.65 57.67 1yea h LYS 11 Cb 0.34 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.48 1yea h LYS 11 CO 0.01 0.79 -0.07 0.25 -2.81 0.00 0.00 179.45 177.61 1yea n THR 12 N -4.44 0.00 0.00 1.00 -2.24 -0.94 -4.14 114.28 103.51 1yea n THR 12 Ca 0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1yea n THR 12 Cb 0.24 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1yea n THR 12 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1yea n ARG 13 N -1.34 3.53 0.00 -0.78 1.74 -0.78 -4.94 116.66 114.09 1yea n ARG 13 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1yea n ARG 13 Cb 0.30 -0.67 0.00 0.00 -1.02 0.00 0.00 32.46 31.06 1yea n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yea h GLN 15 N 0.00 1.01 -0.89 0.00 4.15 -1.19 0.81 115.11 119.01 1yea h GLN 15 Ca 0.00 -0.12 0.24 0.00 0.77 0.00 0.00 58.65 59.53 1yea h GLN 15 Cb 0.13 -0.20 -0.14 0.00 0.21 0.00 0.00 27.48 27.49 1yea h GLN 15 CO 0.00 0.76 0.30 0.37 -1.93 0.00 0.00 178.83 178.33 1yea h GLN 16 N 1.02 0.26 -0.00 1.69 4.15 -1.85 -3.00 115.11 117.37 1yea h GLN 16 Ca 0.25 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1yea h GLN 16 Cb 0.06 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1yea h GLN 16 CO -0.04 0.17 -0.17 0.00 -1.93 0.00 0.00 178.83 176.86 1yea s HIS 18 N -1.18 0.45 0.18 0.00 3.76 0.28 -0.40 115.29 118.38 1yea s HIS 18 Ca 0.03 -0.96 0.10 0.00 -0.15 0.00 0.00 55.06 54.09 1yea s HIS 18 Cb 0.04 -0.33 -0.04 0.00 1.11 0.00 0.00 32.58 33.35 1yea s HIS 18 CO 0.17 -0.38 -0.15 0.95 -0.85 0.00 0.00 174.74 174.48 1yea s THR 19 N -3.63 2.88 0.00 1.30 -4.23 -1.26 -4.08 115.64 106.61 1yea s THR 19 Ca 0.04 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 1yea s THR 19 Cb 0.06 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1yea s THR 19 CO -0.09 -0.11 0.00 0.00 -0.54 0.00 0.00 174.62 173.88 1yea n ILE 20 N 0.13 0.00 -1.67 2.99 3.06 -1.26 0.01 119.36 122.62 1yea n ILE 20 Ca -0.11 -0.12 -0.41 0.00 -2.50 0.00 0.00 62.75 59.61 1yea n ILE 20 Cb 0.56 0.58 0.02 0.00 0.54 0.00 0.00 39.64 41.33 1yea n ILE 20 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1yea n GLU 21 N -0.84 1.67 -1.72 9.51 4.71 -1.26 -2.73 120.64 129.97 1yea n GLU 21 Ca 0.00 0.60 -0.42 0.00 -0.01 0.00 0.00 57.16 57.32 1yea n GLU 21 Cb 0.00 -2.28 -0.03 0.00 -1.01 0.00 0.00 31.44 28.13 1yea n GLU 21 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1yea n GLU 22 N -0.06 2.70 -1.19 3.49 0.00 -1.26 -1.34 120.64 122.98 1yea n GLU 22 Ca 0.08 0.97 -0.07 0.00 0.00 0.00 0.00 57.16 58.15 1yea n GLU 22 Cb 0.40 -2.80 -0.03 0.00 0.00 0.00 0.00 31.44 29.02 1yea n GLU 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1yea n GLY 23 N 3.47 0.85 3.88 8.31 0.00 -1.26 -5.02 105.19 115.42 1yea n GLY 23 Ca 0.14 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 1yea n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yea s GLY 24 N -2.64 1.62 0.49 -0.02 0.00 -0.45 -5.07 107.32 101.25 1yea s GLY 24 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 44.72 44.36 1yea s GLY 24 CO 0.00 0.02 0.71 2.56 0.00 0.00 0.00 173.10 176.39 1yea s PRO 25 N -5.37 2.85 0.97 2.90 0.04 -1.26 -4.85 135.00 130.27 1yea s PRO 25 Ca 0.59 -0.61 -0.13 0.00 0.04 0.00 0.00 61.00 60.89 1yea s PRO 25 Cb -0.11 -2.53 0.17 0.00 0.04 0.00 0.00 34.50 32.07 1yea s PRO 25 CO 0.52 -0.46 1.12 -0.80 0.04 0.00 0.00 177.00 177.42 1yea s ASN 26 N -4.30 2.97 0.00 6.66 0.01 -1.26 -4.13 114.94 114.88 1yea s ASN 26 Ca 0.52 0.99 0.00 0.00 -0.71 0.00 0.00 52.86 53.66 1yea s ASN 26 Cb -0.10 -1.56 0.00 0.00 0.41 0.00 0.00 41.25 40.00 1yea s ASN 26 CO 0.38 -2.89 0.00 0.29 -1.51 0.00 0.00 177.10 173.37 1yea n LYS 27 N -3.99 0.00 -0.13 -0.60 5.02 -1.26 -4.89 118.16 112.31 1yea n LYS 27 Ca 0.07 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.28 1yea n LYS 27 Cb 0.59 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.60 1yea n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1yea h VAL 28 N 0.00 1.06 -1.52 -0.18 2.07 -1.85 -3.42 116.25 112.42 1yea h VAL 28 Ca 0.00 -0.17 -0.48 0.00 0.82 0.00 0.00 66.70 66.86 1yea h VAL 28 Cb 0.00 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1yea h VAL 28 CO 0.00 0.09 -0.37 -0.83 0.02 0.00 0.00 177.57 176.49 1yea s GLY 29 N -2.60 2.11 0.48 2.17 0.00 0.46 -5.06 107.32 104.88 1yea s GLY 29 Ca -0.13 -1.86 -0.10 0.00 0.00 0.00 0.00 44.72 42.63 1yea s GLY 29 CO 0.72 -1.67 0.85 2.56 0.00 0.00 0.00 173.10 175.56 1yea s PRO 30 N -4.15 3.72 0.28 2.90 0.04 -1.26 -4.69 135.00 131.84 1yea s PRO 30 Ca 0.49 0.53 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 1yea s PRO 30 Cb -0.04 -2.29 -0.11 0.00 0.04 0.00 0.00 34.50 32.10 1yea s PRO 30 CO 0.28 -0.20 1.52 1.21 0.04 0.00 0.00 177.00 179.85 1yea s ASN 31 N -3.53 6.49 0.00 6.66 3.84 -1.26 -4.45 114.94 122.70 1yea s ASN 31 Ca 0.52 2.84 0.25 0.00 0.21 0.00 0.00 52.86 56.68 1yea s ASN 31 Cb -0.10 -2.63 0.44 0.00 -0.55 0.00 0.00 41.25 38.41 1yea s ASN 31 CO 0.38 -0.82 1.37 0.18 -2.79 0.00 0.00 177.10 175.42 1yea n LEU 32 N 2.08 1.02 -4.66 3.21 4.77 0.10 -4.91 117.00 118.61 1yea n LEU 32 Ca 0.07 -0.29 -0.45 0.00 -0.03 0.00 0.00 56.01 55.31 1yea n LEU 32 Cb 0.39 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1yea n LEU 32 CO 0.62 0.21 0.94 1.57 -1.33 0.00 0.00 177.39 179.40 1yea n HIS 33 N -0.92 2.02 -0.96 -1.77 -0.00 -1.11 -0.05 115.22 112.43 1yea n HIS 33 Ca 0.09 0.49 0.00 0.00 0.46 0.00 0.00 57.72 58.76 1yea n HIS 33 Cb 0.36 -2.42 0.00 0.00 -0.12 0.00 0.00 29.99 27.81 1yea n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yea n GLY 34 N 1.95 0.76 0.37 1.57 0.00 -0.10 -4.95 105.19 104.79 1yea n GLY 34 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 1yea n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yea h ILE 35 N 0.00 0.20 -0.96 -0.61 6.09 -0.66 -2.01 117.51 119.55 1yea h ILE 35 Ca 0.00 0.00 0.25 0.00 -1.37 0.00 0.00 64.86 63.74 1yea h ILE 35 Cb 0.00 0.20 -0.06 0.00 0.47 0.00 0.00 36.82 37.43 1yea h ILE 35 CO 0.00 0.00 0.66 -0.26 -3.07 0.00 0.00 178.15 175.48 1yea h PHE 36 N -0.38 0.36 -0.63 2.19 0.04 -1.84 0.11 116.94 116.79 1yea h PHE 36 Ca 0.12 0.01 -0.36 0.00 2.80 0.00 0.00 57.97 60.54 1yea h PHE 36 Cb 0.58 -0.11 -0.19 0.00 2.20 0.00 0.00 35.95 38.43 1yea h PHE 36 CO -0.50 0.07 0.46 0.41 -0.60 0.00 0.00 178.31 178.15 1yea n GLY 37 N -1.59 3.92 3.47 -1.45 0.00 -0.76 -4.56 105.19 104.23 1yea n GLY 37 Ca 0.21 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 1yea n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yea s ARG 38 N -2.20 1.33 0.58 1.61 3.52 0.39 -5.07 118.95 119.12 1yea s ARG 38 Ca 0.38 -0.98 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 1yea s ARG 38 Cb 0.31 0.48 0.04 0.00 -1.56 0.00 0.00 34.95 34.22 1yea s ARG 38 CO 0.05 -0.54 0.82 -1.01 -0.81 0.00 0.00 175.30 173.80 1yea s HIS 39 N -3.91 2.74 0.53 5.12 3.76 -1.25 -1.29 115.29 120.99 1yea s HIS 39 Ca 0.12 -0.00 -0.19 0.00 -0.15 0.00 0.00 55.06 54.84 1yea s HIS 39 Cb 0.00 -2.81 -0.06 0.00 1.11 0.00 0.00 32.58 30.82 1yea s HIS 39 CO -0.01 -1.00 1.07 -1.54 -0.85 0.00 0.00 174.74 172.40 1yea s SER 40 N -4.46 5.99 -0.97 1.40 1.04 0.34 -4.22 113.70 112.82 1yea s SER 40 Ca 0.58 1.97 -0.03 0.00 0.48 0.00 0.00 55.95 58.95 1yea s SER 40 Cb -0.10 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1yea s SER 40 CO 0.39 -1.03 0.82 0.61 0.98 0.00 0.00 173.24 175.02 1yea n GLY 41 N -0.33 -0.18 0.00 7.32 0.00 -1.26 -4.57 105.19 106.17 1yea n GLY 41 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1yea n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1yea n GLN 42 N -3.62 2.59 -1.78 1.61 6.02 -1.26 -4.89 117.38 116.04 1yea n GLN 42 Ca -0.12 -0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.41 1yea n GLN 42 Cb 0.59 -0.30 -0.03 0.00 1.02 0.00 0.00 30.24 31.52 1yea n GLN 42 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1yea s VAL 43 N -0.38 2.55 0.25 5.09 1.01 -1.26 -4.90 120.40 122.76 1yea s VAL 43 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 1yea s VAL 43 Cb 0.00 -3.11 -0.10 0.00 0.00 0.00 0.00 36.38 33.17 1yea s VAL 43 CO 0.00 0.00 1.35 -1.59 0.00 0.00 0.00 175.10 174.86 1yea s LYS 44 N 2.28 4.35 0.00 2.72 0.00 -1.26 -3.16 119.74 124.67 1yea s LYS 44 Ca 0.77 2.17 0.00 0.00 0.00 0.00 0.00 55.97 58.91 1yea s LYS 44 Cb -0.45 -3.14 0.00 0.00 0.00 0.00 0.00 37.83 34.24 1yea s LYS 44 CO 0.34 -0.28 0.00 0.41 0.00 0.00 0.00 175.35 175.82 1yea n GLY 45 N 1.95 0.92 3.88 0.59 0.00 -1.26 -5.02 105.19 106.24 1yea n GLY 45 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1yea n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yea s TYR 46 N -3.64 3.61 -0.44 1.61 5.04 -1.19 -5.06 117.35 117.28 1yea s TYR 46 Ca 0.00 0.57 -0.14 0.00 -2.44 0.00 0.00 57.07 55.06 1yea s TYR 46 Cb 0.00 -1.97 0.05 0.00 0.35 0.00 0.00 41.96 40.39 1yea s TYR 46 CO 0.00 0.71 0.34 -1.54 -1.34 0.00 0.00 175.55 173.72 1yea s SER 47 N -1.18 6.05 0.42 4.32 1.04 -1.26 -4.97 113.70 118.12 1yea s SER 47 Ca 0.18 -1.20 0.01 0.00 0.48 0.00 0.00 55.95 55.42 1yea s SER 47 Cb -0.13 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.84 1yea s SER 47 CO 0.07 -0.56 0.63 -0.31 0.98 0.00 0.00 173.24 174.05 1yea s TYR 48 N 1.62 3.30 0.73 5.02 2.02 -1.26 -5.09 117.35 123.70 1yea s TYR 48 Ca 0.04 0.26 -0.11 0.00 -0.37 0.00 0.00 57.07 56.89 1yea s TYR 48 Cb -0.22 -2.18 0.03 0.00 -0.40 0.00 0.00 41.96 39.19 1yea s TYR 48 CO 0.07 -0.20 1.07 0.95 -1.57 0.00 0.00 175.55 175.87 1yea s THR 49 N -2.47 3.70 0.44 -0.71 -4.23 -1.26 -4.91 115.64 106.20 1yea s THR 49 Ca 0.46 0.56 0.13 0.00 -1.18 0.00 0.00 61.69 61.66 1yea s THR 49 Cb -0.10 -3.18 0.19 0.00 1.34 0.00 0.00 72.50 70.75 1yea s THR 49 CO 0.37 -0.71 2.00 0.44 -0.54 0.00 0.00 174.62 176.18 1yea h ASP 50 N -0.86 0.06 -0.26 3.99 5.19 -1.98 -2.73 116.42 119.83 1yea h ASP 50 Ca -0.44 -0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.01 1yea h ASP 50 Cb 1.22 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.67 1yea h ASP 50 CO 0.54 0.20 -0.04 0.00 -3.12 0.00 0.00 179.24 176.83 1yea h ALA 51 N 1.81 0.20 -0.11 3.45 0.00 -1.86 0.12 119.26 122.86 1yea h ALA 51 Ca 0.01 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1yea h ALA 51 Cb 0.28 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1yea h ALA 51 CO 0.02 -0.45 -0.30 -0.97 0.00 0.00 0.00 179.25 177.55 1yea h ASN 52 N 0.03 0.45 -0.06 0.00 -0.73 -1.86 -1.48 115.58 111.93 1yea h ASN 52 Ca 0.12 -0.60 0.03 0.00 1.87 0.00 0.00 56.30 57.73 1yea h ASN 52 Cb 0.18 -0.13 -0.04 0.00 0.27 0.00 0.00 38.32 38.60 1yea h ASN 52 CO -0.24 0.97 -0.16 0.40 -0.37 0.00 0.00 177.43 178.03 1yea h ILE 53 N -0.04 0.60 0.00 2.57 2.04 -1.31 -2.38 117.51 118.99 1yea h ILE 53 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1yea h ILE 53 Cb 0.92 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1yea h ILE 53 CO 0.07 0.00 -0.07 0.78 0.00 0.00 0.00 178.15 178.93 1yea h ASN 54 N -0.23 0.00 0.43 1.72 2.35 -0.77 -2.98 115.58 116.10 1yea h ASN 54 Ca 0.07 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1yea h ASN 54 Cb 0.33 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1yea h ASN 54 CO -0.20 0.07 -0.29 0.50 -1.65 0.00 0.00 177.43 175.86 1yea h LYS 55 N 0.00 0.00 -7.00 0.81 1.63 -0.72 -3.47 116.57 107.82 1yea h LYS 55 Ca -0.00 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.20 1yea h LYS 55 Cb 0.14 0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 31.56 1yea h LYS 55 CO 0.01 0.29 -0.94 -1.71 -3.45 0.00 0.00 179.45 173.64 1yea n ASN 56 N -3.92 0.24 -4.75 4.20 5.15 -1.13 -4.90 115.26 110.16 1yea n ASN 56 Ca -0.02 -1.22 -0.41 0.00 -0.60 0.00 0.00 54.58 52.33 1yea n ASN 56 Cb 0.36 -1.86 -0.04 0.00 -0.53 0.00 0.00 39.78 37.72 1yea n ASN 56 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1yea s VAL 57 N -4.13 3.56 -0.54 3.44 1.01 -1.26 -4.61 120.40 117.86 1yea s VAL 57 Ca 0.14 1.46 -0.19 0.00 0.00 0.00 0.00 61.98 63.39 1yea s VAL 57 Cb -0.08 -3.93 0.08 0.00 0.00 0.00 0.00 36.38 32.46 1yea s VAL 57 CO 0.98 0.30 0.64 -0.54 0.00 0.00 0.00 175.10 176.48 1yea s LYS 58 N -0.97 3.07 -0.29 2.72 1.02 -1.26 0.13 119.74 124.16 1yea s LYS 58 Ca 0.47 -1.16 -0.29 0.00 0.02 0.00 0.00 55.97 55.02 1yea s LYS 58 Cb -0.32 -4.19 -0.02 0.00 -0.52 0.00 0.00 37.83 32.79 1yea s LYS 58 CO 0.39 -1.35 1.67 -1.58 -0.92 0.00 0.00 175.35 173.56 1yea s TRP 59 N 2.52 2.01 0.00 3.18 0.52 -0.41 -4.85 118.94 121.91 1yea s TRP 59 Ca 0.12 0.59 0.00 0.00 0.02 0.00 0.00 56.10 56.82 1yea s TRP 59 Cb -0.22 -4.09 0.00 0.00 -1.15 0.00 0.00 33.47 28.01 1yea s TRP 59 CO 0.08 -2.85 0.00 -0.40 0.02 0.00 0.00 176.95 173.81 1yea n ASP 60 N 9.25 1.59 0.10 2.95 5.68 -1.26 -4.30 116.55 130.55 1yea n ASP 60 Ca 0.20 -0.87 0.06 0.00 -0.50 0.00 0.00 54.79 53.68 1yea n ASP 60 Cb 0.46 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1yea n ASP 60 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1yea h GLU 61 N 0.00 0.00 -0.01 0.11 3.07 -1.96 -2.94 114.58 112.85 1yea h GLU 61 Ca 0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.62 1yea h GLU 61 Cb 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1yea h GLU 61 CO 0.00 0.18 -0.95 -0.44 -1.40 0.00 0.00 179.01 176.40 1yea h ASP 62 N 0.00 0.67 0.92 1.42 3.45 -1.96 -2.48 116.42 118.44 1yea h ASP 62 Ca -0.05 -0.52 -0.05 0.00 0.43 0.00 0.00 57.03 56.84 1yea h ASP 62 Cb 1.25 -0.20 0.01 0.00 -0.56 0.00 0.00 39.33 39.83 1yea h ASP 62 CO 0.03 1.32 -0.44 -1.28 -1.57 0.00 0.00 179.24 177.29 1yea h SER 63 N 0.30 -1.05 -0.87 6.45 0.87 -1.89 -2.94 113.55 114.42 1yea h SER 63 Ca -0.09 0.03 0.14 0.00 -1.23 0.00 0.00 61.79 60.65 1yea h SER 63 Cb 1.59 0.27 -0.07 0.00 -0.44 0.00 0.00 62.40 63.75 1yea h SER 63 CO 0.17 -0.73 0.57 -0.03 -0.53 0.00 0.00 176.83 176.28 1yea h MET 64 N -1.27 0.64 -0.15 2.24 1.85 -1.59 -1.04 114.93 115.60 1yea h MET 64 Ca -0.13 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 58.90 1yea h MET 64 Cb 0.95 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.83 1yea h MET 64 CO 0.21 0.42 0.01 1.03 -0.40 0.00 0.00 176.91 178.18 1yea h SER 65 N 0.66 0.26 0.70 1.39 0.87 -1.32 0.61 113.55 116.72 1yea h SER 65 Ca 0.44 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1yea h SER 65 Cb 0.73 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1yea h SER 65 CO -0.19 0.48 -0.34 -0.08 -0.53 0.00 0.00 176.83 176.17 1yea h GLU 66 N 0.02 -0.91 -0.90 2.24 4.81 -1.26 -3.03 114.58 115.56 1yea h GLU 66 Ca 0.04 0.06 0.22 0.00 -0.13 0.00 0.00 59.36 59.56 1yea h GLU 66 Cb 0.34 0.21 -0.13 0.00 0.63 0.00 0.00 28.75 29.80 1yea h GLU 66 CO 0.01 -0.59 0.39 -0.92 -0.73 0.00 0.00 179.01 177.16 1yea h TYR 67 N -1.01 0.64 0.00 0.92 5.03 -1.21 0.10 116.97 121.44 1yea h TYR 67 Ca -0.10 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.25 1yea h TYR 67 Cb 0.74 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.88 1yea h TYR 67 CO -0.01 -0.06 0.00 -0.07 -1.32 0.00 0.00 178.16 176.70 1yea h LEU 68 N 0.39 0.00 -0.56 2.82 3.38 -0.76 0.15 115.31 120.73 1yea h LEU 68 Ca 0.56 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.39 1yea h LEU 68 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1yea h LEU 68 CO -0.54 0.00 -0.67 0.74 0.09 0.00 0.00 178.44 178.07 1yea h THR 69 N 0.00 1.40 -0.46 0.22 2.02 -0.68 1.54 112.91 116.95 1yea h THR 69 Ca 0.00 -2.36 0.07 0.00 0.77 0.00 0.00 66.41 64.89 1yea h THR 69 Cb 0.69 2.30 -0.18 0.00 -1.74 0.00 0.00 68.15 69.22 1yea h THR 69 CO 0.00 0.66 -0.22 0.21 0.37 0.00 0.00 175.52 176.54 1yea s ASN 70 N -6.73 -0.70 0.00 4.18 3.84 -0.91 -4.31 114.94 110.31 1yea s ASN 70 Ca -0.00 -0.37 0.00 0.00 0.21 0.00 0.00 52.86 52.69 1yea s ASN 70 Cb 0.11 0.90 0.00 0.00 -0.55 0.00 0.00 41.25 41.71 1yea s ASN 70 CO 0.76 -0.08 0.00 -0.81 -2.79 0.00 0.00 177.10 174.19 1yea n PRO 71 N 3.87 0.00 0.00 0.43 -0.04 0.48 0.11 135.00 139.85 1yea n PRO 71 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1yea n PRO 71 Cb 0.61 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 33.08 1yea n PRO 71 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1yea n LYS 73 N 0.52 0.00 0.08 0.54 3.00 -1.26 0.21 118.16 121.25 1yea n LYS 73 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 1yea n LYS 73 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 1yea n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1yea h TYR 74 N 0.00 0.28 -2.69 5.64 3.20 0.41 -3.38 116.97 120.42 1yea h TYR 74 Ca 0.00 -0.16 -0.60 0.00 3.14 0.00 0.00 58.73 61.11 1yea h TYR 74 Cb 0.00 -0.03 -0.39 0.00 1.54 0.00 0.00 36.73 37.85 1yea h TYR 74 CO 0.00 0.99 -0.82 0.42 -1.64 0.00 0.00 178.16 177.11 1yea s ILE 75 N -3.16 1.08 0.20 1.81 1.01 0.56 -5.07 121.20 117.63 1yea s ILE 75 Ca -0.03 -2.81 -0.32 0.00 0.00 0.00 0.00 60.65 57.49 1yea s ILE 75 Cb 0.10 -1.74 -0.12 0.00 0.01 0.00 0.00 42.46 40.71 1yea s ILE 75 CO 0.83 -1.07 1.70 -2.65 0.00 0.00 0.00 174.94 173.75 1yea n PRO 76 N 3.03 2.67 0.00 2.79 -0.02 -1.26 -1.42 135.00 140.79 1yea n PRO 76 Ca 0.20 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.64 1yea n PRO 76 Cb 0.40 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1yea n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yea n GLY 77 N 3.83 2.84 3.61 -1.23 0.00 -1.26 -4.79 105.19 108.18 1yea n GLY 77 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1yea n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1yea n THR 78 N -0.83 3.16 1.09 2.61 5.66 -0.50 -4.78 114.28 120.69 1yea n THR 78 Ca 0.00 -0.42 0.12 0.00 -3.05 0.00 0.00 64.05 60.70 1yea n THR 78 Cb 0.00 -1.11 0.15 0.00 -1.55 0.00 0.00 70.33 67.83 1yea n THR 78 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1yea n LYS 79 N -1.54 1.83 -2.07 1.09 2.85 -1.26 -4.91 118.16 114.15 1yea n LYS 79 Ca 0.13 -1.45 -0.42 0.00 -1.05 0.00 0.00 58.31 55.53 1yea n LYS 79 Cb 0.49 -1.47 -0.03 0.00 -0.65 0.00 0.00 35.03 33.37 1yea n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1yea s MET 80 N -2.16 4.24 -0.36 -1.58 1.75 -1.26 -4.92 119.30 115.01 1yea s MET 80 Ca 0.27 2.15 -0.03 0.00 -1.25 0.00 0.00 55.69 56.83 1yea s MET 80 Cb 0.20 -3.57 0.08 0.00 2.84 0.00 0.00 34.83 34.38 1yea s MET 80 CO 0.39 -0.65 0.11 0.00 -0.65 0.00 0.00 175.02 174.22 1yea s ALA 81 N 2.45 3.00 -0.29 4.11 0.00 -1.26 -4.98 121.76 124.78 1yea s ALA 81 Ca 0.69 -2.13 -0.16 0.00 0.00 0.00 0.00 51.96 50.36 1yea s ALA 81 Cb -0.36 -2.20 0.17 0.00 0.00 0.00 0.00 23.12 20.73 1yea s ALA 81 CO 0.29 -1.53 1.08 0.12 0.00 0.00 0.00 175.76 175.72 1yea s PHE 82 N 1.21 -0.40 0.50 0.00 2.19 -1.26 -5.05 117.98 115.17 1yea s PHE 82 Ca 0.02 0.79 0.15 0.00 0.33 0.00 0.00 56.93 58.22 1yea s PHE 82 Cb -0.21 0.24 1.20 0.00 -1.31 0.00 0.00 43.02 42.94 1yea s PHE 82 CO -0.02 -0.20 2.11 0.00 1.83 0.00 0.00 175.22 178.93 1yea h ALA 83 N 5.96 2.01 0.00 11.12 0.00 -1.96 -3.43 119.26 132.96 1yea h ALA 83 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1yea h ALA 83 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1yea h ALA 83 CO 0.19 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1yea n GLY 84 N -1.54 2.42 3.33 0.00 0.00 -1.26 -4.51 105.19 103.62 1yea n GLY 84 Ca 0.00 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 1yea n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yea s LEU 85 N 0.00 5.14 0.04 0.99 1.43 0.53 -4.95 118.68 121.86 1yea s LEU 85 Ca 0.00 -1.32 -0.19 0.00 -1.03 0.00 0.00 54.13 51.59 1yea s LEU 85 Cb 0.00 -2.04 -0.17 0.00 0.03 0.00 0.00 46.19 44.00 1yea s LEU 85 CO 0.00 -0.52 1.24 0.11 0.23 0.00 0.00 176.35 177.41 1yea h LYS 86 N 8.50 0.46 -6.42 1.70 1.79 -1.83 -3.33 116.57 117.43 1yea h LYS 86 Ca -0.25 -0.35 -0.54 0.00 -2.18 0.00 0.00 60.65 57.33 1yea h LYS 86 Cb 1.09 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.80 1yea h LYS 86 CO 0.76 0.98 0.55 0.15 -1.08 0.00 0.00 179.45 180.81 1yea s LYS 87 N -3.76 4.44 0.27 3.15 1.02 -1.26 -4.94 119.74 118.66 1yea s LYS 87 Ca -0.13 1.66 -0.01 0.00 0.02 0.00 0.00 55.97 57.50 1yea s LYS 87 Cb 0.05 -3.42 0.47 0.00 -0.52 0.00 0.00 37.83 34.41 1yea s LYS 87 CO 0.80 -0.25 1.84 1.49 -0.92 0.00 0.00 175.35 178.31 1yea h GLU 88 N 6.95 0.94 -0.38 1.68 4.81 -2.00 -1.48 114.58 125.10 1yea h GLU 88 Ca -0.40 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 58.80 1yea h GLU 88 Cb 1.20 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 1yea h GLU 88 CO 0.81 0.62 0.22 1.57 -0.73 0.00 0.00 179.01 181.50 1yea h LYS 89 N 0.97 0.43 -0.55 1.92 2.10 -1.98 -1.07 116.57 118.38 1yea h LYS 89 Ca 0.45 -0.03 0.10 0.00 -2.00 0.00 0.00 60.65 59.18 1yea h LYS 89 Cb 0.38 -0.10 -0.08 0.00 -0.90 0.00 0.00 32.23 31.54 1yea h LYS 89 CO -0.24 0.28 0.11 -0.44 -2.00 0.00 0.00 179.45 177.17 1yea h ASP 90 N 0.44 0.00 -0.34 7.07 3.45 -1.67 -1.51 116.42 123.85 1yea h ASP 90 Ca 0.15 0.10 -0.11 0.00 0.43 0.00 0.00 57.03 57.60 1yea h ASP 90 Cb 0.02 0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.91 1yea h ASP 90 CO -0.08 0.02 -0.18 0.03 -1.57 0.00 0.00 179.24 177.46 1yea h ARG 91 N 0.25 0.81 -0.13 3.56 3.08 -1.35 -1.52 114.38 119.09 1yea h ARG 91 Ca 0.28 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1yea h ARG 91 Cb 0.40 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1yea h ARG 91 CO -0.37 0.93 -0.07 -0.91 -1.07 0.00 0.00 179.97 178.48 1yea h ASN 92 N 0.71 0.29 0.13 7.04 2.35 -0.22 -0.99 115.58 124.89 1yea h ASN 92 Ca 0.11 -0.42 0.02 0.00 -0.55 0.00 0.00 56.30 55.45 1yea h ASN 92 Cb 0.69 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.95 1yea h ASN 92 CO 0.05 0.65 -0.28 0.44 -1.65 0.00 0.00 177.43 176.64 1yea h ASP 93 N -0.07 -0.78 0.00 5.81 3.32 -1.23 -1.47 116.42 122.00 1yea h ASP 93 Ca 0.03 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.20 1yea h ASP 93 Cb 0.54 0.30 -0.05 0.00 0.22 0.00 0.00 39.33 40.34 1yea h ASP 93 CO 0.02 -0.37 -0.30 0.25 -1.72 0.00 0.00 179.24 177.13 1yea h LEU 94 N -0.49 -0.88 -2.32 1.55 5.85 -1.30 0.39 115.31 118.11 1yea h LEU 94 Ca 0.03 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1yea h LEU 94 Cb 0.52 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 1yea h LEU 94 CO -0.15 -0.36 0.08 0.40 -0.34 0.00 0.00 178.44 178.07 1yea h ILE 95 N -0.45 0.56 0.73 4.05 2.04 -1.07 0.13 117.51 123.50 1yea h ILE 95 Ca 0.06 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 1yea h ILE 95 Cb 0.53 0.93 0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1yea h ILE 95 CO -0.25 0.00 -0.35 0.74 0.00 0.00 0.00 178.15 178.29 1yea h THR 96 N 0.00 0.00 -0.33 -0.27 2.02 0.15 0.17 112.91 114.65 1yea h THR 96 Ca 0.04 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 67.07 1yea h THR 96 Cb 0.21 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.53 1yea h THR 96 CO -0.00 0.00 -0.30 0.22 0.37 0.00 0.00 175.52 175.81 1yea h TYR 97 N -1.20 -0.81 -0.17 3.16 3.20 -0.41 -1.98 116.97 118.76 1yea h TYR 97 Ca -0.10 0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.87 1yea h TYR 97 Cb 0.75 0.41 -0.07 0.00 1.54 0.00 0.00 36.73 39.36 1yea h TYR 97 CO 0.01 -0.36 -0.35 0.52 -1.64 0.00 0.00 178.16 176.34 1yea h MET 98 N -0.26 -0.39 -0.95 1.82 2.86 -0.79 1.02 114.93 118.24 1yea h MET 98 Ca 0.16 0.03 0.23 0.00 -2.06 0.00 0.00 59.70 58.06 1yea h MET 98 Cb 0.52 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.19 1yea h MET 98 CO -0.48 -0.26 0.63 1.15 1.06 0.00 0.00 176.91 179.02 1yea h THR 99 N -0.40 0.61 0.01 2.22 2.02 0.02 0.18 112.91 117.57 1yea h THR 99 Ca 0.10 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 1yea h THR 99 Cb 0.57 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1yea h THR 99 CO -0.39 0.06 -0.48 0.11 0.37 0.00 0.00 175.52 175.19 1yea h LYS 100 N 0.35 0.01 -0.73 6.66 1.79 -0.01 -3.35 116.57 121.29 1yea h LYS 100 Ca 0.50 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.91 1yea h LYS 100 Cb 1.37 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.99 1yea h LYS 100 CO -0.19 1.01 0.27 0.00 -1.08 0.00 0.00 179.45 179.46 1yea h ALA 101 N -0.17 1.09 0.00 3.86 0.00 0.16 -2.76 119.26 121.44 1yea h ALA 101 Ca -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1yea h ALA 101 Cb 1.13 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1yea h ALA 101 CO -0.07 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1yea n ALA 102 N -2.44 2.59 1.29 0.00 0.00 0.57 -4.72 120.51 117.80 1yea n ALA 102 Ca 0.06 -0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1yea n ALA 102 Cb 0.20 -1.36 0.34 0.00 0.00 0.00 0.00 19.45 18.63 1yea n ALA 102 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67