#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwn s VAL 3 N 0.00 2.01 -0.24 0.52 -7.23 -1.26 -5.12 120.40 109.09 2dwn s VAL 3 Ca 0.00 -1.60 -0.09 0.00 -1.81 0.00 0.00 61.98 58.48 2dwn s VAL 3 Cb 0.00 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 2dwn s VAL 3 CO 0.00 0.07 0.11 0.00 -0.31 0.00 0.00 175.10 174.98 2dwn s ALA 4 N -1.05 3.37 -0.68 1.32 0.00 -1.26 -5.04 121.76 118.43 2dwn s ALA 4 Ca 0.11 -1.00 -0.23 0.00 0.00 0.00 0.00 51.96 50.83 2dwn s ALA 4 Cb -0.10 -2.18 0.07 0.00 0.00 0.00 0.00 23.12 20.91 2dwn s ALA 4 CO 0.05 -0.32 1.02 -1.01 0.00 0.00 0.00 175.76 175.50 2dwn s HIS 5 N 1.30 2.62 -0.11 0.00 3.76 -1.26 -5.01 115.29 116.60 2dwn s HIS 5 Ca 0.06 -0.50 -0.13 0.00 -0.15 0.00 0.00 55.06 54.35 2dwn s HIS 5 Cb -0.15 -4.35 -0.05 0.00 1.11 0.00 0.00 32.58 29.15 2dwn s HIS 5 CO 0.05 -1.71 0.29 0.08 -0.85 0.00 0.00 174.74 172.60 2dwn s VAL 6 N 4.29 5.27 -0.19 -0.90 1.01 -1.26 -5.08 120.40 123.54 2dwn s VAL 6 Ca 0.24 0.55 -0.10 0.00 0.00 0.00 0.00 61.98 62.67 2dwn s VAL 6 Cb -0.15 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 2dwn s VAL 6 CO 0.10 0.50 0.16 0.00 0.00 0.00 0.00 175.10 175.86 2dwn s ALA 7 N -0.31 3.69 0.16 5.51 0.00 -1.26 -5.09 121.76 124.46 2dwn s ALA 7 Ca 0.18 -0.65 0.11 0.00 0.00 0.00 0.00 51.96 51.60 2dwn s ALA 7 Cb -0.14 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 2dwn s ALA 7 CO 0.07 0.18 -0.24 -0.51 0.00 0.00 0.00 175.76 175.26 2dwn s LEU 8 N 0.28 2.45 -0.33 0.00 1.43 -1.26 -5.05 118.68 116.20 2dwn s LEU 8 Ca 0.10 -0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 52.40 2dwn s LEU 8 Cb -0.11 -1.26 0.03 0.00 0.03 0.00 0.00 46.19 44.88 2dwn s LEU 8 CO -0.01 0.15 2.75 -0.81 0.23 0.00 0.00 176.35 178.66 2dwn n PRO 9 N 0.58 2.17 -1.71 1.29 -0.04 -1.26 -4.98 135.00 131.04 2dwn n PRO 9 Ca -0.15 -1.88 -0.57 0.00 -0.04 0.00 0.00 63.50 60.86 2dwn n PRO 9 Cb 0.54 -1.98 -0.07 0.00 -0.04 0.00 0.00 33.50 31.96 2dwn n PRO 9 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2dwn n VAL 10 N 1.07 0.32 -0.63 0.52 3.14 -1.26 -4.88 118.33 116.61 2dwn n VAL 10 Ca 0.43 -0.06 -0.21 0.00 -2.96 0.00 0.00 64.34 61.54 2dwn n VAL 10 Cb 0.62 -1.26 -0.01 0.00 -1.06 0.00 0.00 33.84 32.13 2dwn n VAL 10 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2dwn n PRO 11 N 5.44 0.00 0.00 1.45 -0.02 -1.26 -4.68 135.00 135.93 2dwn n PRO 11 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2dwn n PRO 11 Cb 0.14 -0.47 0.00 0.00 -0.02 0.00 0.00 33.50 33.14 2dwn n PRO 11 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2dwn n LEU 12 N 1.06 0.00 -4.17 2.45 7.94 -1.26 -3.41 117.00 119.61 2dwn n LEU 12 Ca 0.06 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.57 2dwn n LEU 12 Cb 0.17 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.03 2dwn n LEU 12 CO 0.26 0.00 0.01 -2.16 -1.11 0.00 0.00 177.39 174.40 2dwn s PRO 13 N -0.23 2.52 -0.10 1.96 0.04 -1.26 -4.94 135.00 132.99 2dwn s PRO 13 Ca 0.00 -2.08 -0.29 0.00 0.04 0.00 0.00 61.00 58.66 2dwn s PRO 13 Cb 0.00 -3.85 -0.05 0.00 0.04 0.00 0.00 34.50 30.64 2dwn s PRO 13 CO 0.00 -1.17 1.76 0.50 0.04 0.00 0.00 177.00 178.13 2dwn s ARG 14 N 0.76 3.95 0.03 4.56 3.00 -1.22 -4.97 118.95 125.06 2dwn s ARG 14 Ca 0.11 2.09 -0.01 0.00 -1.00 0.00 0.00 55.73 56.92 2dwn s ARG 14 Cb -0.22 -4.07 -0.03 0.00 0.00 0.00 0.00 34.95 30.63 2dwn s ARG 14 CO -0.03 -1.13 -0.02 -0.08 0.00 0.00 0.00 175.30 174.04 2dwn s THR 15 N 4.91 0.16 -0.44 4.11 -1.32 -1.26 -4.81 115.64 116.99 2dwn s THR 15 Ca 0.78 -1.32 -0.17 0.00 -1.21 0.00 0.00 61.69 59.77 2dwn s THR 15 Cb -0.32 -0.87 0.03 0.00 -1.51 0.00 0.00 72.50 69.83 2dwn s THR 15 CO 0.32 -0.73 0.43 -0.36 -2.21 0.00 0.00 174.62 172.07 2dwn s PHE 16 N -2.64 3.18 0.35 9.09 0.40 -1.26 -5.07 117.98 122.04 2dwn s PHE 16 Ca -0.05 -0.53 -0.28 0.00 -0.60 0.00 0.00 56.93 55.47 2dwn s PHE 16 Cb -0.01 -2.96 -0.10 0.00 0.51 0.00 0.00 43.02 40.46 2dwn s PHE 16 CO -0.05 -0.74 1.31 -0.51 0.70 0.00 0.00 175.22 175.93 2dwn s ASP 17 N 2.02 6.65 -0.02 1.36 -0.00 -1.26 -5.05 116.67 120.37 2dwn s ASP 17 Ca 0.10 2.68 -0.00 0.00 -0.00 0.00 0.00 52.55 55.32 2dwn s ASP 17 Cb -0.19 -2.65 0.03 0.00 -0.00 0.00 0.00 42.92 40.12 2dwn s ASP 17 CO 0.12 -0.62 0.04 -0.31 -0.00 0.00 0.00 175.17 174.39 2dwn s TYR 18 N -1.18 0.02 0.25 4.23 1.51 -1.26 -4.64 117.35 116.28 2dwn s TYR 18 Ca 0.51 0.15 -0.30 0.00 -1.01 0.00 0.00 57.07 56.42 2dwn s TYR 18 Cb -0.39 -0.24 -0.09 0.00 -0.11 0.00 0.00 41.96 41.13 2dwn s TYR 18 CO 0.52 -0.10 1.08 -1.17 -1.11 0.00 0.00 175.55 174.77 2dwn s LEU 19 N 1.12 4.55 -0.17 -1.29 0.20 -0.53 -4.72 118.68 117.85 2dwn s LEU 19 Ca -0.09 2.18 -0.12 0.00 0.69 0.00 0.00 54.13 56.80 2dwn s LEU 19 Cb -0.13 -3.62 -0.05 0.00 -0.43 0.00 0.00 46.19 41.96 2dwn s LEU 19 CO -0.03 -0.13 0.23 -0.22 -0.29 0.00 0.00 176.35 175.91 2dwn s LEU 20 N -1.11 4.25 0.51 -0.68 2.96 -1.26 0.76 118.68 124.11 2dwn s LEU 20 Ca 0.45 0.42 -0.21 0.00 -0.22 0.00 0.00 54.13 54.58 2dwn s LEU 20 Cb -0.31 -2.26 -0.06 0.00 0.50 0.00 0.00 46.19 44.06 2dwn s LEU 20 CO 0.38 0.16 1.16 -2.84 -1.32 0.00 0.00 176.35 173.89 2dwn s PRO 21 N 0.27 3.49 0.21 0.98 0.02 -1.26 -4.87 135.00 133.84 2dwn s PRO 21 Ca 0.14 1.74 0.18 0.00 0.02 0.00 0.00 61.00 63.08 2dwn s PRO 21 Cb -0.12 -2.19 0.65 0.00 0.02 0.00 0.00 34.50 32.85 2dwn s PRO 21 CO 0.02 -0.77 0.59 -1.91 -0.33 0.00 0.00 177.00 174.61 2dwn n GLU 22 N -0.94 -0.00 -0.05 5.54 2.13 -1.26 0.63 120.64 126.68 2dwn n GLU 22 Ca 0.10 0.42 -0.03 0.00 0.66 0.00 0.00 57.16 58.31 2dwn n GLU 22 Cb 0.49 -0.95 -0.10 0.00 0.27 0.00 0.00 31.44 31.15 2dwn n GLU 22 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dwn n GLY 23 N -1.33 -0.62 3.75 8.31 0.00 -1.26 -5.01 105.19 109.03 2dwn n GLY 23 Ca 0.17 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2dwn n GLY 23 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dwn s MET 24 N -2.45 4.28 0.02 1.61 1.75 0.20 -5.04 119.30 119.68 2dwn s MET 24 Ca -0.06 2.28 -0.01 0.00 -1.25 0.00 0.00 55.69 56.66 2dwn s MET 24 Cb 0.05 -3.10 -0.02 0.00 2.84 0.00 0.00 34.83 34.60 2dwn s MET 24 CO 0.52 -0.37 -0.02 -0.08 -0.65 0.00 0.00 175.02 174.43 2dwn s THR 25 N -0.31 0.12 0.16 10.11 -1.32 -1.26 -4.56 115.64 118.58 2dwn s THR 25 Ca 0.57 -0.99 -0.14 0.00 -1.21 0.00 0.00 61.69 59.91 2dwn s THR 25 Cb -0.41 -0.40 0.02 0.00 -1.51 0.00 0.00 72.50 70.19 2dwn s THR 25 CO 0.46 -0.55 0.40 0.68 -2.21 0.00 0.00 174.62 173.40 2dwn s VAL 26 N -1.72 0.06 -0.02 5.08 -7.23 -1.26 -5.00 120.40 110.31 2dwn s VAL 26 Ca -0.13 -0.92 0.06 0.00 -1.81 0.00 0.00 61.98 59.18 2dwn s VAL 26 Cb -0.08 -1.51 -0.02 0.00 0.56 0.00 0.00 36.38 35.32 2dwn s VAL 26 CO -0.02 -0.27 -0.21 -0.75 -0.31 0.00 0.00 175.10 173.54 2dwn s LYS 27 N -3.88 2.21 0.07 4.82 2.20 -1.26 -4.99 119.74 118.91 2dwn s LYS 27 Ca 0.09 -0.87 -0.32 0.00 -0.36 0.00 0.00 55.97 54.51 2dwn s LYS 27 Cb 0.01 -2.17 -0.11 0.00 -1.51 0.00 0.00 37.83 34.05 2dwn s LYS 27 CO -0.05 0.58 1.83 0.00 -0.36 0.00 0.00 175.35 177.34 2dwn n ALA 28 N 2.23 1.70 0.00 3.13 0.00 -1.26 -2.07 120.51 124.24 2dwn n ALA 28 Ca -0.16 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2dwn n ALA 28 Cb 0.52 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.42 2dwn n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dwn n GLY 29 N 4.19 1.14 3.60 0.00 0.00 -0.31 -4.83 105.19 108.97 2dwn n GLY 29 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2dwn n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dwn s ARG 31 N -2.73 3.18 0.27 0.00 0.52 -1.26 -0.63 118.95 118.31 2dwn s ARG 31 Ca 0.25 -0.39 -0.08 0.00 -0.52 0.00 0.00 55.73 54.99 2dwn s ARG 31 Cb -0.09 -2.55 0.03 0.00 0.52 0.00 0.00 34.95 32.85 2dwn s ARG 31 CO 0.16 -0.20 0.50 1.33 0.02 0.00 0.00 175.30 177.11 2dwn n VAL 32 N -2.05 0.00 -4.63 3.52 0.24 -0.39 -1.34 118.33 113.69 2dwn n VAL 32 Ca 0.00 -0.86 -0.23 0.00 -2.04 0.00 0.00 64.34 61.21 2dwn n VAL 32 Cb 0.57 0.72 -0.14 0.00 -1.47 0.00 0.00 33.84 33.52 2dwn n VAL 32 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2dwn s ARG 33 N -2.20 1.23 0.26 7.34 0.52 0.10 -1.66 118.95 124.53 2dwn s ARG 33 Ca 0.14 -0.71 -0.05 0.00 -0.52 0.00 0.00 55.73 54.59 2dwn s ARG 33 Cb -0.03 -1.23 -0.02 0.00 0.52 0.00 0.00 34.95 34.19 2dwn s ARG 33 CO 0.10 0.33 0.34 0.14 0.02 0.00 0.00 175.30 176.23 2dwn s VAL 34 N -0.60 0.00 0.64 3.52 -7.23 -1.24 -1.59 120.40 113.91 2dwn s VAL 34 Ca 0.05 -1.69 -0.06 0.00 -1.81 0.00 0.00 61.98 58.47 2dwn s VAL 34 Cb -0.07 -2.42 0.03 0.00 0.56 0.00 0.00 36.38 34.48 2dwn s VAL 34 CO 0.00 0.00 0.96 -2.84 -0.31 0.00 0.00 175.10 172.91 2dwn s PRO 35 N -3.83 2.61 -0.43 4.82 0.02 -1.26 -3.23 135.00 133.69 2dwn s PRO 35 Ca 0.31 -0.09 0.06 0.00 0.02 0.00 0.00 61.00 61.29 2dwn s PRO 35 Cb 0.02 -2.22 0.17 0.00 0.02 0.00 0.00 34.50 32.50 2dwn s PRO 35 CO 0.14 -0.94 0.54 0.12 -0.33 0.00 0.00 177.00 176.52 2dwn s PHE 36 N -3.12 -0.86 0.00 6.54 5.36 -0.54 -4.92 117.98 120.45 2dwn s PHE 36 Ca 0.57 -0.69 0.00 0.00 -0.96 0.00 0.00 56.93 55.85 2dwn s PHE 36 Cb -0.11 -0.08 0.00 0.00 -0.34 0.00 0.00 43.02 42.50 2dwn s PHE 36 CO 0.45 -1.10 0.00 0.41 -1.46 0.00 0.00 175.22 173.53 2dwn n GLY 37 N 3.69 0.86 3.29 13.12 0.00 -1.26 -4.11 105.19 120.79 2dwn n GLY 37 Ca 0.16 -0.30 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 2dwn n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dwn n LYS 38 N -1.41 -0.62 0.00 1.61 2.85 -1.26 -4.46 118.16 114.86 2dwn n LYS 38 Ca 0.00 -0.21 0.00 0.00 -1.05 0.00 0.00 58.31 57.05 2dwn n LYS 38 Cb 0.48 0.17 0.00 0.00 -0.65 0.00 0.00 35.03 35.02 2dwn n LYS 38 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2dwn n GLN 39 N -1.17 0.00 -2.69 -1.58 -0.06 -1.26 -5.18 117.38 105.44 2dwn n GLN 39 Ca -0.03 0.00 -0.22 0.00 -2.00 0.00 0.00 57.00 54.75 2dwn n GLN 39 Cb 0.08 0.00 0.03 0.00 -4.06 0.00 0.00 30.24 26.29 2dwn n GLN 39 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2dwn s GLN 40 N 0.00 2.66 0.23 3.69 -1.52 -1.26 -4.93 119.66 118.54 2dwn s GLN 40 Ca 0.00 -0.65 0.02 0.00 -1.95 0.00 0.00 55.36 52.77 2dwn s GLN 40 Cb 0.00 -2.48 0.02 0.00 -0.22 0.00 0.00 33.01 30.33 2dwn s GLN 40 CO 0.00 -0.63 0.14 0.39 -0.25 0.00 0.00 175.29 174.93 2dwn n GLU 41 N -2.32 1.22 -2.95 2.91 1.02 -1.26 -1.46 120.64 117.80 2dwn n GLU 41 Ca 0.06 -1.53 0.02 0.00 -0.02 0.00 0.00 57.16 55.69 2dwn n GLU 41 Cb 0.59 0.23 0.01 0.00 -0.02 0.00 0.00 31.44 32.24 2dwn n GLU 41 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2dwn n ARG 42 N -0.94 0.05 -4.58 3.49 0.63 -1.20 -4.87 116.66 109.25 2dwn n ARG 42 Ca -0.03 -0.33 -0.23 0.00 -0.92 0.00 0.00 57.85 56.35 2dwn n ARG 42 Cb 0.27 0.58 -0.14 0.00 0.45 0.00 0.00 32.46 33.62 2dwn n ARG 42 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2dwn s ILE 43 N -2.05 1.28 0.23 5.15 1.01 -1.26 -3.62 121.20 121.94 2dwn s ILE 43 Ca 0.15 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.91 2dwn s ILE 43 Cb -0.00 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 2dwn s ILE 43 CO -0.01 0.19 0.10 -0.83 0.00 0.00 0.00 174.94 174.39 2dwn s GLY 44 N -0.81 1.59 -0.08 6.18 0.00 -0.67 -4.98 107.32 108.55 2dwn s GLY 44 Ca 0.05 -1.79 0.05 0.00 0.00 0.00 0.00 44.72 43.03 2dwn s GLY 44 CO 0.01 -1.53 -0.23 -0.42 0.00 0.00 0.00 173.10 170.92 2dwn s ILE 45 N -3.86 2.18 0.02 0.90 1.01 -1.26 -1.26 121.20 118.93 2dwn s ILE 45 Ca 0.36 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.71 2dwn s ILE 45 Cb 0.07 -1.82 -0.07 0.00 0.01 0.00 0.00 42.46 40.66 2dwn s ILE 45 CO 0.12 0.56 1.59 -0.69 0.00 0.00 0.00 174.94 176.52 2dwn s VAL 46 N 0.06 3.36 -0.09 2.92 1.01 0.20 -4.86 120.40 123.00 2dwn s VAL 46 Ca -0.10 0.70 0.10 0.00 0.00 0.00 0.00 61.98 62.68 2dwn s VAL 46 Cb -0.16 -3.45 -0.24 0.00 0.00 0.00 0.00 36.38 32.54 2dwn s VAL 46 CO 0.06 -0.02 0.47 0.52 0.00 0.00 0.00 175.10 176.13 2dwn n VAL 47 N 4.90 1.60 -3.65 2.92 0.31 -1.26 -1.17 118.33 121.99 2dwn n VAL 47 Ca 0.15 -0.77 0.01 0.00 -0.01 0.00 0.00 64.34 63.72 2dwn n VAL 47 Cb 0.42 -1.08 -0.00 0.00 -0.91 0.00 0.00 33.84 32.26 2dwn n VAL 47 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2dwn s SER 48 N -6.17 -0.07 -0.15 4.52 1.04 -1.26 -4.69 113.70 106.92 2dwn s SER 48 Ca -0.10 -0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.15 2dwn s SER 48 Cb 0.07 0.20 0.04 0.00 0.10 0.00 0.00 66.02 66.44 2dwn s SER 48 CO 0.81 -0.37 -0.02 -0.69 0.98 0.00 0.00 173.24 173.95 2dwn s VAL 49 N -2.50 0.80 0.00 5.02 1.01 -1.26 -4.96 120.40 118.51 2dwn s VAL 49 Ca 0.15 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2dwn s VAL 49 Cb 0.04 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.36 2dwn s VAL 49 CO -0.03 0.07 0.00 -1.54 0.00 0.00 0.00 175.10 173.60 2dwn n SER 50 N 4.98 0.43 0.00 3.32 3.41 -1.26 -5.06 113.62 119.44 2dwn n SER 50 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 2dwn n SER 50 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2dwn n SER 50 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2dwn n ASP 51 N 0.00 0.33 -3.58 4.04 -0.08 -1.26 -5.07 116.55 110.93 2dwn n ASP 51 Ca 0.00 -0.65 -0.13 0.00 -1.51 0.00 0.00 54.79 52.50 2dwn n ASP 51 Cb 0.00 0.44 -0.05 0.00 2.34 0.00 0.00 41.12 43.85 2dwn n ASP 51 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dwn s ALA 52 N -0.44 -1.26 0.24 -1.67 0.00 -1.26 -5.10 121.76 112.27 2dwn s ALA 52 Ca 0.00 0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.47 2dwn s ALA 52 Cb 0.00 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.51 2dwn s ALA 52 CO 0.00 -0.53 0.03 -1.54 0.00 0.00 0.00 175.76 173.72 2dwn s SER 53 N -2.12 1.70 0.00 0.00 1.04 -1.26 -5.00 113.70 108.05 2dwn s SER 53 Ca -0.04 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.12 2dwn s SER 53 Cb -0.00 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.16 2dwn s SER 53 CO -0.04 -0.58 0.39 1.21 0.98 0.00 0.00 173.24 175.20 2dwn n GLU 54 N -0.45 0.65 -3.88 4.02 4.07 -1.26 -4.63 120.64 119.17 2dwn n GLU 54 Ca -0.04 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.95 2dwn n GLU 54 Cb 0.65 -1.26 -0.13 0.00 -0.06 0.00 0.00 31.44 30.64 2dwn n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2dwn s LEU 55 N -0.21 1.85 0.02 4.31 1.43 -1.26 -5.12 118.68 119.71 2dwn s LEU 55 Ca 0.00 -0.02 -0.25 0.00 -1.03 0.00 0.00 54.13 52.83 2dwn s LEU 55 Cb 0.00 0.20 -0.13 0.00 0.03 0.00 0.00 46.19 46.30 2dwn s LEU 55 CO 0.00 -0.09 0.63 -2.65 0.23 0.00 0.00 176.35 174.47 2dwn n PRO 56 N 2.68 0.00 0.00 1.29 -0.02 -1.26 -4.73 135.00 132.97 2dwn n PRO 56 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2dwn n PRO 56 Cb 0.59 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 33.15 2dwn n PRO 56 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2dwn n LEU 57 N 1.02 0.00 0.00 2.45 -0.00 -1.26 -2.24 117.00 116.97 2dwn n LEU 57 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 2dwn n LEU 57 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 2dwn n LEU 57 CO 0.39 0.00 0.00 -0.46 -0.00 0.00 0.00 177.39 177.32 2dwn n ASN 58 N -0.76 0.00 -0.06 1.45 2.04 -1.26 -4.79 115.26 111.88 2dwn n ASN 58 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 2dwn n ASN 58 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 2dwn n ASN 58 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 2dwn n GLU 59 N 0.00 0.58 -3.66 -3.83 2.13 -0.95 -4.76 120.64 110.15 2dwn n GLU 59 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 2dwn n GLU 59 Cb 0.00 -1.03 -0.06 0.00 0.27 0.00 0.00 31.44 30.61 2dwn n GLU 59 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2dwn s LEU 60 N -0.89 4.39 0.18 4.31 1.43 -1.25 -4.96 118.68 121.89 2dwn s LEU 60 Ca 0.00 0.67 -0.31 0.00 -1.03 0.00 0.00 54.13 53.46 2dwn s LEU 60 Cb 0.00 -2.33 -0.10 0.00 0.03 0.00 0.00 46.19 43.79 2dwn s LEU 60 CO 0.00 0.31 1.52 -0.54 0.23 0.00 0.00 176.35 177.87 2dwn s LYS 61 N -0.72 4.23 0.22 1.70 -0.14 -1.26 -4.54 119.74 119.22 2dwn s LYS 61 Ca 0.19 2.33 -0.19 0.00 -1.36 0.00 0.00 55.97 56.94 2dwn s LYS 61 Cb -0.14 -3.15 -0.08 0.00 -1.68 0.00 0.00 37.83 32.78 2dwn s LYS 61 CO 0.08 -0.55 0.70 0.00 -0.76 0.00 0.00 175.35 174.82 2dwn s ALA 62 N 0.83 3.43 0.17 5.17 0.00 -1.26 -1.45 121.76 128.65 2dwn s ALA 62 Ca 0.67 0.12 -0.32 0.00 0.00 0.00 0.00 51.96 52.43 2dwn s ALA 62 Cb -0.43 -2.78 -0.11 0.00 0.00 0.00 0.00 23.12 19.80 2dwn s ALA 62 CO 0.34 0.34 1.77 0.08 0.00 0.00 0.00 175.76 178.30 2dwn s VAL 63 N -1.53 2.23 -0.03 0.00 1.01 0.23 -4.66 120.40 117.66 2dwn s VAL 63 Ca 0.43 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 62.23 2dwn s VAL 63 Cb -0.16 -3.02 -0.29 0.00 0.00 0.00 0.00 36.38 32.90 2dwn s VAL 63 CO 0.21 0.00 0.96 0.58 0.00 0.00 0.00 175.10 176.85 2dwn h VAL 64 N 4.17 1.47 -1.69 2.92 2.07 -1.64 -3.43 116.25 120.12 2dwn h VAL 64 Ca -0.44 -2.42 0.07 0.00 0.82 0.00 0.00 66.70 64.73 2dwn h VAL 64 Cb 1.21 3.01 -0.25 0.00 -1.52 0.00 0.00 31.29 33.74 2dwn h VAL 64 CO 0.95 0.69 0.31 -0.70 0.02 0.00 0.00 177.57 178.84 2dwn s GLU 65 N -2.67 0.52 -0.56 1.57 2.12 -1.19 -4.97 118.70 113.52 2dwn s GLU 65 Ca -0.13 0.79 -0.22 0.00 0.36 0.00 0.00 54.97 55.77 2dwn s GLU 65 Cb 0.02 0.16 0.05 0.00 0.26 0.00 0.00 34.13 34.62 2dwn s GLU 65 CO 0.84 -0.09 0.85 0.54 -0.54 0.00 0.00 175.26 176.86 2dwn s VAL 66 N 1.02 4.52 -0.93 3.70 0.11 -1.26 0.02 120.40 127.58 2dwn s VAL 66 Ca -0.05 -0.09 0.23 0.00 -2.93 0.00 0.00 61.98 59.14 2dwn s VAL 66 Cb -0.04 -4.50 0.20 0.00 -1.53 0.00 0.00 36.38 30.51 2dwn s VAL 66 CO -0.12 -1.10 1.73 0.18 -3.33 0.00 0.00 175.10 172.46 2dwn n LEU 67 N 7.12 0.13 -3.69 2.54 4.77 -0.45 -4.77 117.00 122.66 2dwn n LEU 67 Ca -0.02 0.52 -0.14 0.00 -0.03 0.00 0.00 56.01 56.34 2dwn n LEU 67 Cb 0.46 -0.49 -0.14 0.00 -2.33 0.00 0.00 43.42 40.92 2dwn n LEU 67 CO 0.61 -0.15 -0.18 -1.81 -1.33 0.00 0.00 177.39 174.53 2dwn s ASP 68 N -3.24 0.30 0.20 -1.43 1.01 -1.18 -4.86 116.67 107.48 2dwn s ASP 68 Ca 0.10 0.46 0.26 0.00 0.71 0.00 0.00 52.55 54.08 2dwn s ASP 68 Cb 0.14 0.44 0.71 0.00 1.01 0.00 0.00 42.92 45.23 2dwn s ASP 68 CO 0.43 -0.22 1.69 -1.20 0.21 0.00 0.00 175.17 176.08 2dwn n SER 69 N 4.98 0.83 -4.48 0.27 7.64 -1.26 -4.51 113.62 117.09 2dwn n SER 69 Ca -0.12 0.50 -0.33 0.00 1.01 0.00 0.00 58.87 59.93 2dwn n SER 69 Cb 0.51 -0.64 -0.13 0.00 -1.01 0.00 0.00 64.21 62.94 2dwn n SER 69 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2dwn s GLU 70 N -3.12 2.70 -0.25 1.43 -1.05 -1.26 -4.88 118.70 112.27 2dwn s GLU 70 Ca 0.10 -0.67 -0.29 0.00 -0.15 0.00 0.00 54.97 53.96 2dwn s GLU 70 Cb 0.12 -2.46 -0.01 0.00 -0.44 0.00 0.00 34.13 31.35 2dwn s GLU 70 CO 0.62 0.56 1.31 -1.25 0.95 0.00 0.00 175.26 177.44 2dwn s PRO 71 N -0.55 4.01 0.00 -4.83 0.04 -1.26 -4.63 135.00 127.78 2dwn s PRO 71 Ca 0.08 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2dwn s PRO 71 Cb -0.12 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.57 2dwn s PRO 71 CO 0.02 -1.00 0.31 1.55 0.04 0.00 0.00 177.00 177.92 2dwn n VAL 72 N 5.95 0.00 -4.34 -0.36 3.14 -0.14 -4.59 118.33 117.99 2dwn n VAL 72 Ca 0.15 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.31 2dwn n VAL 72 Cb 0.46 -0.93 -0.13 0.00 -1.06 0.00 0.00 33.84 32.18 2dwn n VAL 72 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2dwn s PHE 73 N -1.69 1.55 0.99 1.45 0.40 -1.26 -5.11 117.98 114.31 2dwn s PHE 73 Ca 0.00 -0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 55.82 2dwn s PHE 73 Cb 0.00 -0.88 0.19 0.00 0.51 0.00 0.00 43.02 42.84 2dwn s PHE 73 CO 0.00 0.11 1.10 0.99 0.70 0.00 0.00 175.22 178.13 2dwn s THR 74 N -1.05 2.10 0.29 0.64 2.01 -1.26 -4.82 115.64 113.55 2dwn s THR 74 Ca 0.04 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.11 2dwn s THR 74 Cb -0.09 -2.09 0.06 0.00 0.01 0.00 0.00 72.50 70.39 2dwn s THR 74 CO 0.03 -0.04 1.72 -0.74 -0.69 0.00 0.00 174.62 174.90 2dwn h HIS 75 N -2.10 0.45 0.00 4.92 2.76 -1.99 -2.45 115.15 116.74 2dwn h HIS 75 Ca -0.49 -0.10 -0.06 0.00 -2.20 0.00 0.00 60.37 57.51 2dwn h HIS 75 Cb 1.29 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 30.13 2dwn h HIS 75 CO 0.43 0.66 -0.44 0.66 -1.30 0.00 0.00 177.93 177.93 2dwn h SER 76 N 0.35 0.00 -1.07 3.26 4.64 -1.98 -3.23 113.55 115.51 2dwn h SER 76 Ca 0.05 -0.44 0.31 0.00 -0.47 0.00 0.00 61.79 61.24 2dwn h SER 76 Cb 0.70 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.66 2dwn h SER 76 CO 0.05 0.97 0.66 0.58 -0.87 0.00 0.00 176.83 178.22 2dwn h VAL 77 N -1.00 0.39 0.00 0.95 2.07 -1.95 2.90 116.25 119.61 2dwn h VAL 77 Ca -0.09 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 2dwn h VAL 77 Cb 0.75 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2dwn h VAL 77 CO -0.06 0.07 -0.39 -0.25 0.02 0.00 0.00 177.57 176.96 2dwn h TRP 78 N 0.36 0.00 0.00 1.57 2.91 -1.56 0.07 115.95 119.29 2dwn h TRP 78 Ca 0.69 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.64 2dwn h TRP 78 Cb 1.68 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 30.32 2dwn h TRP 78 CO -0.01 0.39 -0.46 -0.09 -1.03 0.00 0.00 178.44 177.24 2dwn h ARG 79 N 0.00 0.00 0.03 2.65 2.43 0.48 -2.98 114.38 116.99 2dwn h ARG 79 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2dwn h ARG 79 Cb 0.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2dwn h ARG 79 CO 0.05 0.27 -0.02 1.25 -1.51 0.00 0.00 179.97 180.02 2dwn h LEU 80 N 0.00 -0.04 -0.82 3.80 7.12 0.13 -3.17 115.31 122.32 2dwn h LEU 80 Ca -0.02 -0.66 0.04 0.00 0.13 0.00 0.00 57.88 57.37 2dwn h LEU 80 Cb 1.24 0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 41.33 2dwn h LEU 80 CO 0.04 0.70 0.52 -0.07 -0.13 0.00 0.00 178.44 179.50 2dwn h LEU 81 N -0.84 0.85 -2.36 2.25 3.38 -1.12 -0.71 115.31 116.76 2dwn h LEU 81 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2dwn h LEU 81 Cb 0.70 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2dwn h LEU 81 CO 0.01 0.58 -0.04 -0.07 0.09 0.00 0.00 178.44 179.01 2dwn h LEU 82 N 1.00 0.00 0.01 1.67 3.38 -1.61 0.20 115.31 119.95 2dwn h LEU 82 Ca 0.33 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.14 2dwn h LEU 82 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2dwn h LEU 82 CO -0.13 0.04 -0.90 -0.25 0.09 0.00 0.00 178.44 177.29 2dwn h TRP 83 N 0.00 0.03 -0.50 1.13 7.01 -1.30 -3.14 115.95 119.18 2dwn h TRP 83 Ca -0.00 -0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.07 2dwn h TRP 83 Cb 0.14 -0.00 -0.08 0.00 -2.10 0.00 0.00 29.16 27.12 2dwn h TRP 83 CO 0.00 1.35 0.01 0.00 -2.79 0.00 0.00 178.44 177.02 2dwn h ALA 84 N -0.31 0.48 -0.95 2.65 0.00 -0.70 0.73 119.26 121.17 2dwn h ALA 84 Ca -0.24 0.14 0.16 0.00 0.00 0.00 0.00 54.91 54.97 2dwn h ALA 84 Cb 1.25 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 19.19 2dwn h ALA 84 CO -0.13 -0.38 0.60 0.00 0.00 0.00 0.00 179.25 179.35 2dwn h ALA 85 N 1.44 1.77 0.00 0.00 0.00 -0.74 -1.29 119.26 120.44 2dwn h ALA 85 Ca 0.25 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2dwn h ALA 85 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2dwn h ALA 85 CO -0.40 -0.05 -0.00 0.22 0.00 0.00 0.00 179.25 179.01 2dwn h ASP 86 N 0.75 -0.01 -0.59 0.00 3.58 -0.26 0.43 116.42 120.33 2dwn h ASP 86 Ca 0.50 -0.56 0.03 0.00 0.42 0.00 0.00 57.03 57.41 2dwn h ASP 86 Cb 0.77 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.79 2dwn h ASP 86 CO -0.26 0.77 0.36 0.22 -2.88 0.00 0.00 179.24 177.45 2dwn h TYR 87 N -1.00 0.67 -0.82 0.28 3.20 0.33 -2.27 116.97 117.37 2dwn h TYR 87 Ca -0.00 0.02 -0.38 0.00 3.14 0.00 0.00 58.73 61.51 2dwn h TYR 87 Cb 0.57 -0.21 -0.23 0.00 1.54 0.00 0.00 36.73 38.40 2dwn h TYR 87 CO 0.16 0.38 0.43 0.66 -1.64 0.00 0.00 178.16 178.15 2dwn n TYR 88 N -4.75 2.57 -3.38 -3.82 4.02 -0.49 -4.98 117.16 106.33 2dwn n TYR 88 Ca 0.05 -1.63 -0.16 0.00 -0.01 0.00 0.00 57.90 56.15 2dwn n TYR 88 Cb 0.08 -0.80 0.00 0.00 -0.02 0.00 0.00 39.34 38.61 2dwn n TYR 88 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2dwn n HIS 89 N -0.88 -0.97 -4.23 -0.72 8.25 -0.85 -4.94 115.22 110.88 2dwn n HIS 89 Ca 0.50 0.32 -0.29 0.00 -0.26 0.00 0.00 57.72 58.00 2dwn n HIS 89 Cb 1.49 -1.43 -0.09 0.00 1.12 0.00 0.00 29.99 31.07 2dwn n HIS 89 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2dwn s HIS 90 N -2.97 2.75 0.03 4.41 3.76 0.15 -5.01 115.29 118.42 2dwn s HIS 90 Ca 0.07 -0.16 -0.30 0.00 -0.15 0.00 0.00 55.06 54.51 2dwn s HIS 90 Cb -0.04 -1.39 -0.06 0.00 1.11 0.00 0.00 32.58 32.19 2dwn s HIS 90 CO 0.48 0.46 1.39 -2.14 -0.85 0.00 0.00 174.74 174.09 2dwn s PRO 91 N -2.48 4.30 0.17 8.40 0.02 -1.26 -4.61 135.00 139.53 2dwn s PRO 91 Ca 0.23 1.99 -0.22 0.00 0.02 0.00 0.00 61.00 63.02 2dwn s PRO 91 Cb -0.10 -3.48 0.07 0.00 0.02 0.00 0.00 34.50 31.01 2dwn s PRO 91 CO 0.15 -0.52 1.60 0.97 -0.33 0.00 0.00 177.00 178.87 2dwn h ILE 92 N 4.72 0.25 -0.31 2.83 -0.00 -1.87 0.23 117.51 123.37 2dwn h ILE 92 Ca -0.39 0.00 0.09 0.00 -0.00 0.00 0.00 64.86 64.56 2dwn h ILE 92 Cb 1.19 0.25 -0.01 0.00 -0.00 0.00 0.00 36.82 38.25 2dwn h ILE 92 CO 0.89 0.00 0.37 1.23 -0.00 0.00 0.00 178.15 180.64 2dwn h GLY 93 N -0.23 0.00 1.46 8.18 0.00 -1.90 1.05 103.07 111.63 2dwn h GLY 93 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.21 2dwn h GLY 93 CO -0.54 0.00 -1.36 -1.80 0.00 0.00 0.00 176.54 172.84 2dwn h ASP 94 N 0.00 0.52 0.13 0.19 -0.00 -0.99 -3.14 116.42 113.13 2dwn h ASP 94 Ca 0.15 -0.59 -0.01 0.00 -0.00 0.00 0.00 57.03 56.58 2dwn h ASP 94 Cb 0.89 -0.17 0.00 0.00 -0.00 0.00 0.00 39.33 40.05 2dwn h ASP 94 CO -0.00 1.46 -0.06 0.58 -0.00 0.00 0.00 179.24 181.22 2dwn h VAL 95 N 0.09 1.00 0.03 2.25 2.07 0.26 -3.01 116.25 118.94 2dwn h VAL 95 Ca -0.19 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.14 2dwn h VAL 95 Cb 2.03 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 33.45 2dwn h VAL 95 CO 0.21 0.26 -0.20 -0.07 0.02 0.00 0.00 177.57 177.79 2dwn h LEU 96 N -0.80 -0.60 -2.82 2.57 3.38 -0.74 -0.77 115.31 115.54 2dwn h LEU 96 Ca -0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2dwn h LEU 96 Cb 0.55 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 2dwn h LEU 96 CO 0.03 -0.20 0.03 -0.26 0.09 0.00 0.00 178.44 178.12 2dwn h PHE 97 N -0.27 0.00 0.00 1.13 -1.00 -1.69 -0.02 116.94 115.09 2dwn h PHE 97 Ca -0.00 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 2dwn h PHE 97 Cb 0.28 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 2dwn h PHE 97 CO -0.37 0.00 -1.11 0.45 -1.61 0.00 0.00 178.31 175.67 2dwn h HIS 98 N 0.00 0.00 0.21 -0.55 3.86 -1.35 -3.37 115.15 113.95 2dwn h HIS 98 Ca 0.00 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.90 2dwn h HIS 98 Cb 0.05 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.55 2dwn h HIS 98 CO 0.00 0.38 -1.39 0.00 0.86 0.00 0.00 177.93 177.78 2dwn h ALA 99 N 1.62 -0.08 -0.21 2.45 0.00 0.47 -3.35 119.26 120.16 2dwn h ALA 99 Ca -0.09 -0.86 0.03 0.00 0.00 0.00 0.00 54.91 53.99 2dwn h ALA 99 Cb 1.37 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 2dwn h ALA 99 CO 0.03 0.77 -0.31 1.25 0.00 0.00 0.00 179.25 180.99 2dwn h LEU 100 N 0.14 -1.04 -2.06 0.00 5.85 -1.37 0.37 115.31 117.20 2dwn h LEU 100 Ca -0.22 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2dwn h LEU 100 Cb 2.09 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 43.54 2dwn h LEU 100 CO 0.25 -0.23 -0.04 -0.65 -0.34 0.00 0.00 178.44 177.43 2dwn h PRO 101 N -0.24 0.00 0.01 5.25 0.11 -1.77 -0.13 132.00 135.23 2dwn h PRO 101 Ca 0.04 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.93 2dwn h PRO 101 Cb 0.34 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 2dwn h PRO 101 CO -0.32 0.04 -0.94 0.82 -0.21 0.00 0.00 178.00 177.39 2dwn h ILE 102 N 0.00 1.46 0.00 4.15 5.03 -1.55 -2.94 117.51 123.65 2dwn h ILE 102 Ca -0.00 -2.59 0.00 0.00 -0.12 0.00 0.00 64.86 62.15 2dwn h ILE 102 Cb 0.08 2.49 0.00 0.00 -3.03 0.00 0.00 36.82 36.36 2dwn h ILE 102 CO 0.01 0.76 0.00 -0.07 -0.68 0.00 0.00 178.15 178.17 2dwn h LEU 103 N 0.16 0.00 -0.97 1.44 3.38 0.15 -3.52 115.31 115.95 2dwn h LEU 103 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2dwn h LEU 103 Cb 1.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.33 2dwn h LEU 103 CO 0.15 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.86