#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ycc n GLU -4 N 0.00 1.78 -3.27 1.09 1.02 -1.26 -5.01 120.64 114.99 2ycc n GLU -4 Ca 0.00 -3.53 0.03 0.00 -0.02 0.00 0.00 57.16 53.64 2ycc n GLU -4 Cb 0.00 -1.57 -0.02 0.00 -0.02 0.00 0.00 31.44 29.83 2ycc n GLU -4 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2ycc s PHE -3 N -3.53 -1.18 -0.02 -0.32 5.36 -1.26 -4.99 117.98 112.04 2ycc s PHE -3 Ca 0.30 1.47 0.05 0.00 -0.96 0.00 0.00 56.93 57.80 2ycc s PHE -3 Cb 0.38 0.50 -0.03 0.00 -0.34 0.00 0.00 43.02 43.53 2ycc s PHE -3 CO -0.01 -0.63 -0.16 0.15 -1.46 0.00 0.00 175.22 173.11 2ycc s LYS -2 N 2.83 2.35 0.14 10.12 1.02 -1.26 -5.08 119.74 129.87 2ycc s LYS -2 Ca 0.08 -0.80 -0.31 0.00 0.02 0.00 0.00 55.97 54.96 2ycc s LYS -2 Cb -0.12 -2.30 -0.10 0.00 -0.52 0.00 0.00 37.83 34.78 2ycc s LYS -2 CO -0.18 0.59 1.68 0.00 -0.92 0.00 0.00 175.35 176.53 2ycc s ALA -1 N -0.79 3.79 0.00 5.17 0.00 -1.26 -4.70 121.76 123.97 2ycc s ALA -1 Ca 0.13 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.48 2ycc s ALA -1 Cb -0.11 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2ycc s ALA -1 CO 0.02 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.21 2ycc n GLY 1 N 3.97 1.91 3.75 0.00 0.00 -1.26 -4.96 105.19 108.60 2ycc n GLY 1 Ca 0.16 -1.84 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 2ycc n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ycc s SER 2 N -1.00 6.53 0.03 1.61 0.15 -1.26 -4.86 113.70 114.89 2ycc s SER 2 Ca 0.00 0.63 -0.29 0.00 0.70 0.00 0.00 55.95 56.99 2ycc s SER 2 Cb 0.00 -2.20 -0.16 0.00 -1.71 0.00 0.00 66.02 61.94 2ycc s SER 2 CO 0.00 0.13 1.26 0.00 1.20 0.00 0.00 173.24 175.83 2ycc h ALA 3 N 6.32 -0.92 -0.93 5.45 0.00 -1.90 -0.13 119.26 127.16 2ycc h ALA 3 Ca -0.43 -0.22 0.21 0.00 0.00 0.00 0.00 54.91 54.47 2ycc h ALA 3 Cb 1.18 0.35 -0.12 0.00 0.00 0.00 0.00 17.79 19.20 2ycc h ALA 3 CO 0.73 -0.90 0.48 0.87 0.00 0.00 0.00 179.25 180.42 2ycc h LYS 4 N -1.14 0.51 0.56 0.00 1.57 -1.94 0.66 116.57 116.79 2ycc h LYS 4 Ca -0.09 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 2ycc h LYS 4 Cb 0.73 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2ycc h LYS 4 CO 0.15 0.33 -0.29 -0.22 -0.57 0.00 0.00 179.45 178.85 2ycc h LYS 5 N 0.52 -0.76 -0.93 3.15 1.63 -1.89 -3.16 116.57 115.13 2ycc h LYS 5 Ca 0.57 0.05 0.19 0.00 -0.85 0.00 0.00 60.65 60.61 2ycc h LYS 5 Cb 1.02 0.17 -0.11 0.00 -0.60 0.00 0.00 32.23 32.72 2ycc h LYS 5 CO -0.47 -0.51 0.51 0.78 -3.45 0.00 0.00 179.45 176.31 2ycc h GLY 6 N -0.79 1.61 1.17 5.01 0.00 0.10 -2.68 103.07 107.49 2ycc h GLY 6 Ca -0.07 -0.28 0.11 0.00 0.00 0.00 0.00 47.33 47.09 2ycc h GLY 6 CO 0.11 -0.11 0.31 0.00 0.00 0.00 0.00 176.54 176.84 2ycc h ALA 7 N 1.64 2.26 0.00 3.60 0.00 -1.15 -1.87 119.26 123.74 2ycc h ALA 7 Ca 0.54 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.26 2ycc h ALA 7 Cb 0.88 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2ycc h ALA 7 CO -0.41 -0.51 -1.99 0.25 0.00 0.00 0.00 179.25 176.59 2ycc n THR 8 N -4.21 0.80 -0.03 0.00 -2.24 -1.02 -2.97 114.28 104.62 2ycc n THR 8 Ca 0.06 -0.68 -0.15 0.00 -2.27 0.00 0.00 64.05 61.02 2ycc n THR 8 Cb 0.49 -0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.28 2ycc n THR 8 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2ycc h LEU 9 N 0.00 0.32 -0.32 3.22 4.07 -1.48 0.14 115.31 121.25 2ycc h LEU 9 Ca -0.24 -0.65 0.07 0.00 0.08 0.00 0.00 57.88 57.14 2ycc h LEU 9 Cb 1.60 -0.09 -0.07 0.00 1.08 0.00 0.00 40.66 43.17 2ycc h LEU 9 CO 0.02 0.91 -0.17 0.15 -1.08 0.00 0.00 178.44 178.27 2ycc h PHE 10 N -0.25 -0.43 0.86 1.13 3.04 -1.50 6.65 116.94 126.43 2ycc h PHE 10 Ca -0.01 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 2ycc h PHE 10 Cb 0.90 0.24 0.00 0.00 2.56 0.00 0.00 35.95 39.65 2ycc h PHE 10 CO 0.13 -0.25 -0.47 0.87 -2.02 0.00 0.00 178.31 176.57 2ycc h LYS 11 N -0.13 -1.18 -0.08 1.11 1.57 -1.57 0.25 116.57 116.55 2ycc h LYS 11 Ca 0.16 0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 2ycc h LYS 11 Cb 0.38 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2ycc h LYS 11 CO -0.40 -0.79 -0.16 1.79 -0.57 0.00 0.00 179.45 179.32 2ycc h THR 12 N -1.23 1.16 -0.00 -0.16 1.35 0.10 -3.29 112.91 110.84 2ycc h THR 12 Ca -0.12 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 2ycc h THR 12 Cb 0.96 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2ycc h THR 12 CO 0.15 0.22 -0.07 0.54 -0.25 0.00 0.00 175.52 176.11 2ycc n ARG 13 N -4.29 5.39 0.00 4.72 1.74 2.14 -4.85 116.66 121.51 2ycc n ARG 13 Ca -0.02 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 2ycc n ARG 13 Cb 0.26 -0.65 0.00 0.00 -1.02 0.00 0.00 32.46 31.05 2ycc n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ycc h LEU 15 N 0.00 0.90 -0.97 0.00 5.85 -0.91 -1.01 115.31 119.17 2ycc h LEU 15 Ca 0.00 -0.06 0.32 0.00 0.84 0.00 0.00 57.88 58.98 2ycc h LEU 15 Cb 0.00 -0.23 -0.16 0.00 0.37 0.00 0.00 40.66 40.64 2ycc h LEU 15 CO 0.00 0.71 0.40 -0.61 -0.34 0.00 0.00 178.44 178.60 2ycc h GLN 16 N 1.02 0.16 0.00 1.25 4.15 -1.85 -2.66 115.11 117.18 2ycc h GLN 16 Ca 0.26 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.67 2ycc h GLN 16 Cb -0.01 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.65 2ycc h GLN 16 CO -0.05 0.10 -0.05 0.00 -1.93 0.00 0.00 178.83 176.91 2ycc s HIS 18 N -1.17 -0.12 0.09 0.00 3.76 -0.45 -0.53 115.29 116.88 2ycc s HIS 18 Ca 0.08 -0.01 0.08 0.00 -0.15 0.00 0.00 55.06 55.06 2ycc s HIS 18 Cb 0.07 0.10 -0.03 0.00 1.11 0.00 0.00 32.58 33.83 2ycc s HIS 18 CO 0.01 -0.51 -0.22 0.95 -0.85 0.00 0.00 174.74 174.12 2ycc s THR 19 N -2.52 1.81 -0.05 1.30 -4.23 -1.26 -4.36 115.64 106.33 2ycc s THR 19 Ca -0.05 -1.49 0.09 0.00 -1.18 0.00 0.00 61.69 59.06 2ycc s THR 19 Cb -0.01 -1.62 -0.13 0.00 1.34 0.00 0.00 72.50 72.09 2ycc s THR 19 CO -0.03 0.05 0.12 1.33 -0.54 0.00 0.00 174.62 175.54 2ycc n VAL 20 N 1.28 0.33 -2.50 2.29 0.24 -1.26 -0.22 118.33 118.49 2ycc n VAL 20 Ca -0.19 -0.30 -0.42 0.00 -2.04 0.00 0.00 64.34 61.39 2ycc n VAL 20 Cb 0.53 -0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.59 2ycc n VAL 20 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ycc s GLU 21 N -2.43 4.51 0.14 7.34 8.01 -1.26 -3.33 118.70 131.68 2ycc s GLU 21 Ca -0.04 1.70 -0.32 0.00 0.01 0.00 0.00 54.97 56.32 2ycc s GLU 21 Cb 0.04 -3.34 -0.12 0.00 -4.31 0.00 0.00 34.13 26.41 2ycc s GLU 21 CO 0.38 -0.11 1.78 1.17 0.01 0.00 0.00 175.26 178.49 2ycc n LYS 22 N 3.38 2.68 -0.82 1.61 3.00 -1.26 -0.07 118.16 126.68 2ycc n LYS 22 Ca 0.06 0.97 0.00 0.00 -0.00 0.00 0.00 58.31 59.34 2ycc n LYS 22 Cb 0.47 -2.83 0.00 0.00 0.00 0.00 0.00 35.03 32.67 2ycc n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ycc n GLY 23 N 4.07 0.57 3.90 3.14 0.00 -1.26 -5.02 105.19 110.59 2ycc n GLY 23 Ca 0.18 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2ycc n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ycc s GLY 24 N -2.18 1.88 0.52 -0.02 0.00 0.90 -5.08 107.32 103.35 2ycc s GLY 24 Ca 0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 44.72 44.03 2ycc s GLY 24 CO 0.00 -0.46 0.93 2.56 0.00 0.00 0.00 173.10 176.13 2ycc s PRO 25 N -3.49 3.76 0.17 2.90 0.04 -1.26 -4.84 135.00 132.28 2ycc s PRO 25 Ca 0.44 0.71 -0.24 0.00 0.04 0.00 0.00 61.00 61.94 2ycc s PRO 25 Cb -0.11 -2.20 -0.08 0.00 0.04 0.00 0.00 34.50 32.16 2ycc s PRO 25 CO 0.29 -0.31 0.76 -1.01 0.04 0.00 0.00 177.00 176.77 2ycc s HIS 26 N -2.76 3.87 0.00 0.56 3.76 -1.26 -3.84 115.29 115.61 2ycc s HIS 26 Ca 0.55 1.58 0.00 0.00 -0.15 0.00 0.00 55.06 57.04 2ycc s HIS 26 Cb -0.10 -2.73 0.00 0.00 1.11 0.00 0.00 32.58 30.85 2ycc s HIS 26 CO 0.40 0.49 0.00 1.63 -0.85 0.00 0.00 174.74 176.41 2ycc n LYS 27 N 1.47 0.00 0.21 1.40 5.02 -1.26 -4.91 118.16 120.09 2ycc n LYS 27 Ca -0.05 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.10 2ycc n LYS 27 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.43 2ycc n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2ycc h VAL 28 N 0.00 0.45 -2.05 -0.18 2.07 -1.82 -3.42 116.25 111.29 2ycc h VAL 28 Ca 0.00 -0.54 -0.43 0.00 0.82 0.00 0.00 66.70 66.54 2ycc h VAL 28 Cb 0.00 0.66 0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2ycc h VAL 28 CO 0.00 0.08 -0.17 -0.83 0.02 0.00 0.00 177.57 176.67 2ycc s GLY 29 N -2.70 1.80 0.75 2.17 0.00 0.31 -5.03 107.32 104.62 2ycc s GLY 29 Ca -0.14 -1.43 -0.12 0.00 0.00 0.00 0.00 44.72 43.04 2ycc s GLY 29 CO 0.48 -1.23 1.11 2.56 0.00 0.00 0.00 173.10 176.02 2ycc s PRO 30 N -4.50 2.52 0.35 2.90 0.04 -1.26 -4.51 135.00 130.54 2ycc s PRO 30 Ca 0.53 0.45 -0.26 0.00 0.04 0.00 0.00 61.00 61.77 2ycc s PRO 30 Cb -0.10 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 2ycc s PRO 30 CO 0.35 -1.27 1.00 1.21 0.04 0.00 0.00 177.00 178.33 2ycc s ASN 31 N -4.28 7.13 0.00 6.66 3.84 -1.25 -4.33 114.94 122.71 2ycc s ASN 31 Ca 0.59 1.95 0.25 0.00 0.21 0.00 0.00 52.86 55.86 2ycc s ASN 31 Cb -0.12 -2.59 0.57 0.00 -0.55 0.00 0.00 41.25 38.57 2ycc s ASN 31 CO 0.52 -0.22 1.47 0.18 -2.79 0.00 0.00 177.10 176.26 2ycc n LEU 32 N 0.40 2.41 -4.68 3.21 4.77 0.70 -4.95 117.00 118.86 2ycc n LEU 32 Ca 0.03 -0.87 -0.46 0.00 -0.03 0.00 0.00 56.01 54.68 2ycc n LEU 32 Cb 0.49 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 2ycc n LEU 32 CO 0.45 0.43 1.28 1.57 -1.33 0.00 0.00 177.39 179.80 2ycc n HIS 33 N 0.86 2.34 -1.46 -1.77 -0.00 -1.21 0.56 115.22 114.54 2ycc n HIS 33 Ca 0.17 0.17 -0.01 0.00 0.46 0.00 0.00 57.72 58.50 2ycc n HIS 33 Cb 0.49 -2.59 -0.00 0.00 -0.12 0.00 0.00 29.99 27.77 2ycc n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2ycc n GLY 34 N 3.71 0.40 0.33 1.57 0.00 0.94 -4.96 105.19 107.18 2ycc n GLY 34 Ca 0.18 -0.96 0.04 0.00 0.00 0.00 0.00 46.02 45.27 2ycc n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2ycc h ILE 35 N 0.00 1.11 -2.79 -0.61 6.09 -0.10 -3.40 117.51 117.81 2ycc h ILE 35 Ca -0.02 -0.26 -0.54 0.00 -1.37 0.00 0.00 64.86 62.66 2ycc h ILE 35 Cb 0.48 0.28 -0.00 0.00 0.47 0.00 0.00 36.82 38.05 2ycc h ILE 35 CO 0.03 0.14 0.94 -0.36 -3.07 0.00 0.00 178.15 175.82 2ycc s PHE 36 N -5.66 2.54 0.00 2.19 0.08 -1.25 -2.17 117.98 113.71 2ycc s PHE 36 Ca -0.10 0.56 0.00 0.00 0.12 0.00 0.00 56.93 57.52 2ycc s PHE 36 Cb 0.18 -3.78 0.00 0.00 -0.57 0.00 0.00 43.02 38.85 2ycc s PHE 36 CO 0.76 -3.07 0.00 0.41 -0.10 0.00 0.00 175.22 173.22 2ycc n GLY 37 N 3.84 3.41 3.88 4.36 0.00 0.88 -4.98 105.19 116.59 2ycc n GLY 37 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2ycc n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ycc s ARG 38 N -0.92 3.74 0.30 1.61 3.52 -0.92 -4.58 118.95 121.70 2ycc s ARG 38 Ca 0.00 0.22 -0.18 0.00 -0.13 0.00 0.00 55.73 55.64 2ycc s ARG 38 Cb 0.00 -2.59 -0.09 0.00 -1.56 0.00 0.00 34.95 30.71 2ycc s ARG 38 CO 0.00 0.21 0.77 -1.01 -0.81 0.00 0.00 175.30 174.46 2ycc s HIS 39 N -2.02 3.47 0.36 5.12 3.76 -1.25 0.63 115.29 125.36 2ycc s HIS 39 Ca 0.47 1.35 -0.28 0.00 -0.15 0.00 0.00 55.06 56.44 2ycc s HIS 39 Cb -0.11 -2.62 -0.11 0.00 1.11 0.00 0.00 32.58 30.86 2ycc s HIS 39 CO 0.26 0.16 1.41 -1.54 -0.85 0.00 0.00 174.74 174.18 2ycc s SER 40 N -2.02 6.50 0.00 1.40 1.04 0.26 -3.75 113.70 117.13 2ycc s SER 40 Ca 0.51 2.90 0.00 0.00 0.48 0.00 0.00 55.95 59.84 2ycc s SER 40 Cb -0.13 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.33 2ycc s SER 40 CO 0.18 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.27 2ycc n GLY 41 N 0.60 0.76 0.26 7.32 0.00 -1.26 -4.46 105.19 108.41 2ycc n GLY 41 Ca 0.01 -0.67 0.05 0.00 0.00 0.00 0.00 46.02 45.40 2ycc n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ycc n GLN 42 N -0.91 1.56 -1.82 1.61 1.13 -1.25 -4.89 117.38 112.82 2ycc n GLN 42 Ca 0.00 -0.73 -0.42 0.00 -1.94 0.00 0.00 57.00 53.91 2ycc n GLN 42 Cb 0.39 -1.09 -0.03 0.00 0.11 0.00 0.00 30.24 29.62 2ycc n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ycc s ALA 43 N -1.11 3.60 0.01 -1.58 0.00 -1.26 -4.95 121.76 116.47 2ycc s ALA 43 Ca 0.09 1.15 -0.26 0.00 0.00 0.00 0.00 51.96 52.93 2ycc s ALA 43 Cb 0.07 -3.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 2ycc s ALA 43 CO 0.19 -1.49 0.82 -1.83 0.00 0.00 0.00 175.76 173.45 2ycc s GLU 44 N 4.25 4.52 0.00 0.00 -1.05 -1.26 -3.32 118.70 121.84 2ycc s GLU 44 Ca 0.82 1.14 0.00 0.00 -0.15 0.00 0.00 54.97 56.78 2ycc s GLU 44 Cb -0.38 -3.41 0.00 0.00 -0.44 0.00 0.00 34.13 29.90 2ycc s GLU 44 CO 0.36 0.14 0.00 0.41 0.95 0.00 0.00 175.26 177.12 2ycc n GLY 45 N 2.68 1.02 3.20 -3.83 0.00 -1.26 -5.10 105.19 101.90 2ycc n GLY 45 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2ycc n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ycc s TYR 46 N -2.00 2.00 -1.01 1.61 5.04 -1.21 -5.04 117.35 116.74 2ycc s TYR 46 Ca 0.00 -0.54 -0.11 0.00 -2.44 0.00 0.00 57.07 53.97 2ycc s TYR 46 Cb 0.00 -1.32 0.25 0.00 0.35 0.00 0.00 41.96 41.24 2ycc s TYR 46 CO 0.00 -0.16 1.00 0.45 -1.34 0.00 0.00 175.55 175.51 2ycc s SER 47 N -0.14 7.11 0.32 4.32 0.15 -1.26 -4.97 113.70 119.22 2ycc s SER 47 Ca -0.01 -3.24 -0.28 0.00 0.70 0.00 0.00 55.95 53.11 2ycc s SER 47 Cb -0.12 -2.22 -0.10 0.00 -1.71 0.00 0.00 66.02 61.88 2ycc s SER 47 CO 0.02 -0.41 1.20 -0.31 1.20 0.00 0.00 173.24 174.94 2ycc s TYR 48 N -0.62 3.27 0.93 3.44 2.02 -1.26 -5.02 117.35 120.12 2ycc s TYR 48 Ca 0.27 1.56 -0.11 0.00 -0.37 0.00 0.00 57.07 58.41 2ycc s TYR 48 Cb -0.10 -3.47 0.15 0.00 -0.40 0.00 0.00 41.96 38.15 2ycc s TYR 48 CO -0.08 -1.22 1.11 0.95 -1.57 0.00 0.00 175.55 174.73 2ycc s THR 49 N -1.19 2.37 0.20 -0.71 -4.23 -1.26 -4.91 115.64 105.90 2ycc s THR 49 Ca 0.48 0.12 -0.10 0.00 -1.18 0.00 0.00 61.69 61.01 2ycc s THR 49 Cb -0.35 -2.30 0.13 0.00 1.34 0.00 0.00 72.50 71.32 2ycc s THR 49 CO 0.46 -0.16 1.74 0.44 -0.54 0.00 0.00 174.62 176.56 2ycc h ASP 50 N -1.84 0.21 -0.63 3.99 3.45 -1.95 -1.33 116.42 118.33 2ycc h ASP 50 Ca -0.48 0.07 0.13 0.00 0.43 0.00 0.00 57.03 57.19 2ycc h ASP 50 Cb 1.28 0.06 -0.10 0.00 -0.56 0.00 0.00 39.33 40.00 2ycc h ASP 50 CO 0.47 0.13 0.01 0.00 -1.57 0.00 0.00 179.24 178.28 2ycc h ALA 51 N 1.40 0.63 0.01 3.45 0.00 -1.90 -2.61 119.26 120.24 2ycc h ALA 51 Ca 0.29 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2ycc h ALA 51 Cb 0.35 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2ycc h ALA 51 CO -0.29 -0.39 -0.04 -0.97 0.00 0.00 0.00 179.25 177.56 2ycc h ASN 52 N 0.13 -0.12 -0.82 0.00 -0.73 -1.59 -2.49 115.58 109.96 2ycc h ASN 52 Ca 0.33 0.01 0.12 0.00 1.87 0.00 0.00 56.30 58.63 2ycc h ASN 52 Cb 0.53 0.04 -0.13 0.00 0.27 0.00 0.00 38.32 39.04 2ycc h ASN 52 CO -0.53 -0.04 -0.35 -0.38 -0.37 0.00 0.00 177.43 175.76 2ycc n ILE 53 N -2.66 -0.45 0.20 2.57 -0.00 -1.10 -0.97 119.36 116.94 2ycc n ILE 53 Ca -0.01 1.93 0.06 0.00 -0.00 0.00 0.00 62.75 64.73 2ycc n ILE 53 Cb 0.03 -2.52 0.39 0.00 -0.00 0.00 0.00 39.64 37.54 2ycc n ILE 53 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 2ycc h LYS 54 N 0.00 0.00 0.45 0.38 6.56 -1.51 -3.08 116.57 119.37 2ycc h LYS 54 Ca 0.26 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.84 2ycc h LYS 54 Cb 0.46 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.11 2ycc h LYS 54 CO -0.81 0.35 -0.32 -0.22 -2.06 0.00 0.00 179.45 176.39 2ycc h LYS 55 N 0.00 -0.73 -5.67 3.15 1.63 -0.57 -3.47 116.57 110.90 2ycc h LYS 55 Ca -0.00 0.05 -0.32 0.00 -0.85 0.00 0.00 60.65 59.53 2ycc h LYS 55 Cb 0.77 0.17 0.16 0.00 -0.60 0.00 0.00 32.23 32.72 2ycc h LYS 55 CO 0.05 -0.49 -0.82 -1.71 -3.45 0.00 0.00 179.45 173.03 2ycc n ASN 56 N -5.45 -3.89 -4.76 4.20 2.85 -1.13 -5.00 115.26 102.08 2ycc n ASN 56 Ca -0.11 -0.71 -0.39 0.00 -0.11 0.00 0.00 54.58 53.26 2ycc n ASN 56 Cb 0.35 -4.90 -0.06 0.00 1.24 0.00 0.00 39.78 36.41 2ycc n ASN 56 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2ycc s VAL 57 N -3.42 4.02 -0.08 3.44 1.01 -1.26 -4.69 120.40 119.42 2ycc s VAL 57 Ca 0.21 1.96 -0.19 0.00 0.00 0.00 0.00 61.98 63.96 2ycc s VAL 57 Cb -0.03 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2ycc s VAL 57 CO 0.75 0.41 0.52 -0.22 0.00 0.00 0.00 175.10 176.56 2ycc s LEU 58 N -1.40 4.32 -0.59 3.92 1.98 -1.26 0.90 118.68 126.56 2ycc s LEU 58 Ca 0.43 0.93 -0.19 0.00 -2.89 0.00 0.00 54.13 52.41 2ycc s LEU 58 Cb -0.25 -2.77 0.10 0.00 0.66 0.00 0.00 46.19 43.93 2ycc s LEU 58 CO 0.31 0.03 0.71 0.26 -1.89 0.00 0.00 176.35 175.78 2ycc s TRP 59 N 0.35 2.99 0.18 5.38 0.23 0.20 -4.80 118.94 123.47 2ycc s TRP 59 Ca 0.28 -0.92 0.02 0.00 -2.03 0.00 0.00 56.10 53.46 2ycc s TRP 59 Cb -0.16 -3.99 -0.05 0.00 0.03 0.00 0.00 33.47 29.30 2ycc s TRP 59 CO 0.13 -1.29 -0.01 0.16 0.96 0.00 0.00 176.95 176.89 2ycc s ASP 60 N 3.56 1.39 0.56 2.95 1.47 -1.26 0.30 116.67 125.65 2ycc s ASP 60 Ca 0.12 -1.16 0.34 0.00 1.18 0.00 0.00 52.55 53.03 2ycc s ASP 60 Cb -0.24 0.08 1.47 0.00 -0.34 0.00 0.00 42.92 43.90 2ycc s ASP 60 CO 0.07 -0.53 1.77 1.05 0.68 0.00 0.00 175.17 178.21 2ycc h GLU 61 N 2.67 0.00 0.00 2.11 4.11 -1.96 -2.71 114.58 118.80 2ycc h GLU 61 Ca -0.37 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.00 2ycc h GLU 61 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2ycc h GLU 61 CO 0.63 0.00 -0.45 -0.91 0.07 0.00 0.00 179.01 178.35 2ycc h ASN 62 N 0.00 0.00 -0.43 3.06 4.21 -1.96 -3.13 115.58 117.33 2ycc h ASN 62 Ca 0.47 -0.42 0.09 0.00 1.21 0.00 0.00 56.30 57.64 2ycc h ASN 62 Cb 2.07 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 39.19 2ycc h ASN 62 CO -0.00 0.97 -0.13 -1.13 -1.29 0.00 0.00 177.43 175.84 2ycc h ASN 63 N -1.00 -0.47 -0.00 5.81 -0.73 -1.86 -0.23 115.58 117.10 2ycc h ASN 63 Ca -0.10 0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.21 2ycc h ASN 63 Cb 0.75 0.29 -0.00 0.00 0.27 0.00 0.00 38.32 39.64 2ycc h ASN 63 CO -0.06 -0.17 0.22 -0.03 -0.37 0.00 0.00 177.43 177.03 2ycc h MET 64 N -0.03 0.00 0.08 6.67 4.05 -1.64 -0.06 114.93 124.00 2ycc h MET 64 Ca 0.21 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 59.27 2ycc h MET 64 Cb 0.35 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.12 2ycc h MET 64 CO -0.46 0.00 -2.04 0.45 0.23 0.00 0.00 176.91 175.09 2ycc n SER 65 N -2.96 2.06 0.40 1.39 2.88 -0.13 -2.95 113.62 114.30 2ycc n SER 65 Ca -0.02 0.17 -0.17 0.00 -1.33 0.00 0.00 58.87 57.51 2ycc n SER 65 Cb 0.28 -0.78 -0.08 0.00 -0.75 0.00 0.00 64.21 62.88 2ycc n SER 65 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2ycc h GLU 66 N -0.13 -0.98 -0.95 -1.46 3.07 -0.90 0.90 114.58 114.13 2ycc h GLU 66 Ca -0.46 0.07 0.29 0.00 -0.50 0.00 0.00 59.36 58.75 2ycc h GLU 66 Cb 1.90 0.22 -0.17 0.00 -0.84 0.00 0.00 28.75 29.86 2ycc h GLU 66 CO -0.01 -0.63 0.13 0.98 -1.40 0.00 0.00 179.01 178.07 2ycc n TYR 67 N -5.48 0.71 0.21 4.33 -0.00 -0.16 0.32 117.16 117.10 2ycc n TYR 67 Ca -0.14 1.13 0.07 0.00 -0.00 0.00 0.00 57.90 58.97 2ycc n TYR 67 Cb 0.41 -1.28 0.47 0.00 -0.00 0.00 0.00 39.34 38.95 2ycc n TYR 67 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 2ycc h LEU 68 N 0.00 0.00 -0.49 2.98 3.38 -1.34 0.19 115.31 120.02 2ycc h LEU 68 Ca 0.62 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.53 2ycc h LEU 68 Cb 1.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 2ycc h LEU 68 CO -0.85 0.28 0.04 0.74 0.09 0.00 0.00 178.44 178.74 2ycc h THR 69 N 0.00 1.26 -0.50 0.22 2.02 0.76 -0.50 112.91 116.18 2ycc h THR 69 Ca -0.00 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 66.22 2ycc h THR 69 Cb 0.62 0.94 -0.18 0.00 -1.74 0.00 0.00 68.15 67.79 2ycc h THR 69 CO 0.04 0.35 -0.24 0.21 0.37 0.00 0.00 175.52 176.25 2ycc s ASN 70 N -6.29 -0.76 0.00 4.18 3.84 -1.00 -3.97 114.94 110.94 2ycc s ASN 70 Ca -0.13 -0.47 0.00 0.00 0.21 0.00 0.00 52.86 52.47 2ycc s ASN 70 Cb 0.11 0.97 0.00 0.00 -0.55 0.00 0.00 41.25 41.78 2ycc s ASN 70 CO 0.81 -0.07 0.00 -2.65 -2.79 0.00 0.00 177.10 172.40 2ycc n PRO 71 N 3.74 0.00 0.00 0.43 -0.02 0.64 -0.70 135.00 139.09 2ycc n PRO 71 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2ycc n PRO 71 Cb 0.61 -0.83 0.00 0.00 -0.02 0.00 0.00 33.50 33.26 2ycc n PRO 71 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2ycc n LYS 73 N 0.12 0.00 -0.16 -0.52 3.00 -1.26 0.39 118.16 119.73 2ycc n LYS 73 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 2ycc n LYS 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2ycc n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 2ycc h TYR 74 N 0.00 0.83 -2.67 5.64 3.20 -1.23 -3.36 116.97 119.38 2ycc h TYR 74 Ca 0.00 -0.12 -0.60 0.00 3.14 0.00 0.00 58.73 61.15 2ycc h TYR 74 Cb 0.00 -0.23 -0.40 0.00 1.54 0.00 0.00 36.73 37.64 2ycc h TYR 74 CO 0.00 0.78 -0.77 -0.89 -1.64 0.00 0.00 178.16 175.64 2ycc n ILE 75 N -4.44 0.42 -1.76 1.81 5.41 0.16 -5.08 119.36 115.88 2ycc n ILE 75 Ca 0.01 -4.27 -0.43 0.00 1.00 0.00 0.00 62.75 59.06 2ycc n ILE 75 Cb 0.26 -1.95 -0.03 0.00 -0.71 0.00 0.00 39.64 37.20 2ycc n ILE 75 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2ycc s PRO 76 N -0.92 3.69 0.00 0.38 0.04 -1.26 -1.41 135.00 135.52 2ycc s PRO 76 Ca 0.30 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2ycc s PRO 76 Cb 0.02 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.35 2ycc s PRO 76 CO -0.17 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 175.82 2ycc n GLY 77 N 5.01 2.73 3.65 0.56 0.00 -1.26 -4.89 105.19 110.99 2ycc n GLY 77 Ca 0.23 -0.34 -0.46 0.00 0.00 0.00 0.00 46.02 45.45 2ycc n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ycc n THR 78 N 0.00 0.99 1.34 2.61 5.66 -0.50 -4.75 114.28 119.62 2ycc n THR 78 Ca 0.00 -0.25 0.02 0.00 -3.05 0.00 0.00 64.05 60.77 2ycc n THR 78 Cb 0.00 -1.31 0.06 0.00 -1.55 0.00 0.00 70.33 67.53 2ycc n THR 78 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2ycc n LYS 79 N 1.89 1.40 -2.28 1.09 2.85 -1.26 -4.76 118.16 117.10 2ycc n LYS 79 Ca 0.12 -0.49 -0.43 0.00 -1.05 0.00 0.00 58.31 56.46 2ycc n LYS 79 Cb 0.30 -1.25 -0.02 0.00 -0.65 0.00 0.00 35.03 33.41 2ycc n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 2ycc s MET 80 N -1.69 3.74 -0.94 -1.58 1.75 -1.26 -4.89 119.30 114.43 2ycc s MET 80 Ca 0.09 1.31 -0.17 0.00 -1.25 0.00 0.00 55.69 55.66 2ycc s MET 80 Cb 0.05 -3.99 0.15 0.00 2.84 0.00 0.00 34.83 33.88 2ycc s MET 80 CO 0.05 -1.35 1.10 0.00 -0.65 0.00 0.00 175.02 174.17 2ycc s ALA 81 N 5.10 3.56 -0.29 4.11 0.00 -1.26 -4.90 121.76 128.08 2ycc s ALA 81 Ca 0.64 -2.93 -0.14 0.00 0.00 0.00 0.00 51.96 49.53 2ycc s ALA 81 Cb -0.19 -3.97 0.13 0.00 0.00 0.00 0.00 23.12 19.10 2ycc s ALA 81 CO 0.28 -2.84 0.81 0.12 0.00 0.00 0.00 175.76 174.13 2ycc s PHE 82 N 2.12 -0.97 0.34 0.00 2.19 -1.26 -5.03 117.98 115.37 2ycc s PHE 82 Ca 0.31 1.77 0.08 0.00 0.33 0.00 0.00 56.93 59.43 2ycc s PHE 82 Cb -0.05 0.58 0.62 0.00 -1.31 0.00 0.00 43.02 42.85 2ycc s PHE 82 CO -0.09 -0.48 1.81 0.78 1.83 0.00 0.00 175.22 179.07 2ycc h GLY 83 N 7.26 0.23 0.00 13.12 0.00 -1.95 -3.40 103.07 118.34 2ycc h GLY 83 Ca -0.22 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2ycc h GLY 83 CO 0.13 0.17 0.00 0.61 0.00 0.00 0.00 176.54 177.45 2ycc n GLY 84 N -0.51 0.59 2.80 4.60 0.00 -1.26 -4.29 105.19 107.12 2ycc n GLY 84 Ca -0.01 -2.22 -0.28 0.00 0.00 0.00 0.00 46.02 43.50 2ycc n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ycc s LEU 85 N 0.00 1.62 0.30 0.99 1.43 -0.19 -5.01 118.68 117.81 2ycc s LEU 85 Ca 0.00 -0.91 0.02 0.00 -1.03 0.00 0.00 54.13 52.21 2ycc s LEU 85 Cb 0.00 -0.78 0.48 0.00 0.03 0.00 0.00 46.19 45.91 2ycc s LEU 85 CO 0.00 -0.28 1.79 0.11 0.23 0.00 0.00 176.35 178.20 2ycc h LYS 86 N 8.15 0.55 -5.82 1.70 1.57 -1.86 -3.38 116.57 117.48 2ycc h LYS 86 Ca -0.17 -0.16 -0.59 0.00 -1.87 0.00 0.00 60.65 57.86 2ycc h LYS 86 Cb 1.10 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.28 2ycc h LYS 86 CO 0.36 0.65 -0.19 0.15 -0.57 0.00 0.00 179.45 179.85 2ycc s LYS 87 N -4.78 4.15 0.12 3.15 1.02 -1.26 -5.01 119.74 117.12 2ycc s LYS 87 Ca -0.08 0.38 -0.21 0.00 0.02 0.00 0.00 55.97 56.08 2ycc s LYS 87 Cb 0.15 -3.34 -0.06 0.00 -0.52 0.00 0.00 37.83 34.06 2ycc s LYS 87 CO 0.78 0.41 1.71 1.49 -0.92 0.00 0.00 175.35 178.82 2ycc h GLU 88 N 5.82 -0.02 -0.58 1.68 4.81 -2.00 -1.91 114.58 122.39 2ycc h GLU 88 Ca -0.46 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 58.89 2ycc h GLU 88 Cb 1.19 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.48 2ycc h GLU 88 CO 0.69 -0.01 -0.03 1.57 -0.73 0.00 0.00 179.01 180.50 2ycc h LYS 89 N -0.02 0.08 -0.38 1.92 2.10 -1.97 0.12 116.57 118.43 2ycc h LYS 89 Ca 0.07 -0.01 -0.08 0.00 -2.00 0.00 0.00 60.65 58.63 2ycc h LYS 89 Cb 0.13 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.42 2ycc h LYS 89 CO -0.15 0.06 -0.12 -0.44 -2.00 0.00 0.00 179.45 176.80 2ycc h ASP 90 N 0.09 0.65 0.39 7.07 5.19 -1.94 -2.09 116.42 125.77 2ycc h ASP 90 Ca 0.29 -0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 2ycc h ASP 90 Cb 0.46 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.80 2ycc h ASP 90 CO -0.51 0.79 -0.19 0.03 -3.12 0.00 0.00 179.24 176.24 2ycc h ARG 91 N 0.60 -0.51 -0.34 3.56 3.08 -0.51 -1.61 114.38 118.66 2ycc h ARG 91 Ca 0.11 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.25 2ycc h ARG 91 Cb 0.55 0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.63 2ycc h ARG 91 CO 0.03 -0.22 -0.43 -0.91 -1.07 0.00 0.00 179.97 177.37 2ycc h ASN 92 N -0.75 -1.41 0.03 7.04 2.35 -0.69 -0.78 115.58 121.37 2ycc h ASN 92 Ca -0.05 0.21 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 2ycc h ASN 92 Cb 0.52 0.61 -0.03 0.00 0.05 0.00 0.00 38.32 39.46 2ycc h ASN 92 CO 0.09 -0.38 -0.33 0.44 -1.65 0.00 0.00 177.43 175.60 2ycc h ASP 93 N -0.37 -1.00 -0.19 5.81 5.19 -1.41 -0.37 116.42 124.08 2ycc h ASP 93 Ca 0.12 0.11 0.03 0.00 -0.62 0.00 0.00 57.03 56.67 2ycc h ASP 93 Cb 0.59 0.38 -0.03 0.00 0.18 0.00 0.00 39.33 40.45 2ycc h ASP 93 CO -0.53 -0.33 -0.01 0.25 -3.12 0.00 0.00 179.24 175.50 2ycc h LEU 94 N -0.44 -0.08 -1.05 1.55 5.85 -0.90 0.30 115.31 120.55 2ycc h LEU 94 Ca 0.00 0.04 0.17 0.00 0.84 0.00 0.00 57.88 58.94 2ycc h LEU 94 Cb 0.45 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.46 2ycc h LEU 94 CO -0.20 -0.02 0.62 0.40 -0.34 0.00 0.00 178.44 178.90 2ycc h ILE 95 N 0.05 0.75 -0.51 4.05 2.04 -0.98 3.81 117.51 126.72 2ycc h ILE 95 Ca 0.09 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2ycc h ILE 95 Cb 0.11 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 2ycc h ILE 95 CO -0.15 0.14 0.23 0.74 0.00 0.00 0.00 178.15 179.11 2ycc h THR 96 N 0.79 1.20 -0.23 -0.27 2.02 0.34 4.70 112.91 121.46 2ycc h THR 96 Ca 0.55 -0.60 0.02 0.00 0.77 0.00 0.00 66.41 67.15 2ycc h THR 96 Cb 0.83 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2ycc h THR 96 CO -0.34 0.23 0.09 0.22 0.37 0.00 0.00 175.52 176.10 2ycc h TYR 97 N 0.69 0.17 -0.42 3.16 3.20 0.34 0.79 116.97 124.89 2ycc h TYR 97 Ca 0.17 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 2ycc h TYR 97 Cb 0.15 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2ycc h TYR 97 CO -0.00 0.09 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.50 2ycc h LEU 98 N 0.21 0.76 -0.84 2.82 3.38 0.86 -1.07 115.31 121.43 2ycc h LEU 98 Ca 0.10 -0.33 0.11 0.00 0.09 0.00 0.00 57.88 57.85 2ycc h LEU 98 Cb 0.05 -0.20 -0.12 0.00 0.09 0.00 0.00 40.66 40.47 2ycc h LEU 98 CO -0.09 0.91 -0.38 1.17 0.09 0.00 0.00 178.44 180.14 2ycc n LYS 99 N -4.38 -0.25 0.00 1.13 4.81 1.53 -1.55 118.16 119.45 2ycc n LYS 99 Ca -0.01 1.28 0.00 0.00 -0.87 0.00 0.00 58.31 58.72 2ycc n LYS 99 Cb 0.32 -1.90 0.00 0.00 0.02 0.00 0.00 35.03 33.47 2ycc n LYS 99 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2ycc n LYS 100 N -5.17 0.00 -0.23 1.64 5.02 0.22 -4.28 118.16 115.36 2ycc n LYS 100 Ca 0.06 0.24 -0.05 0.00 -2.02 0.00 0.00 58.31 56.54 2ycc n LYS 100 Cb 0.30 -1.09 0.06 0.00 -0.02 0.00 0.00 35.03 34.28 2ycc n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ycc h ALA 101 N -2.00 0.85 0.00 7.82 0.00 -1.09 -2.78 119.26 122.06 2ycc h ALA 101 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ycc h ALA 101 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2ycc h ALA 101 CO 0.00 0.23 0.00 0.25 0.00 0.00 0.00 179.25 179.73 2ycc n THR 102 N -4.65 0.20 1.64 0.00 -2.24 -0.59 -4.78 114.28 103.85 2ycc n THR 102 Ca 0.06 0.05 0.13 0.00 -2.27 0.00 0.00 64.05 62.02 2ycc n THR 102 Cb 0.04 -1.01 0.78 0.00 -2.10 0.00 0.00 70.33 68.04 2ycc n THR 102 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71