#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xed n PRO 3 N 0.00 2.32 -3.95 -1.46 -0.04 -1.26 -4.90 135.00 125.71 1xed n PRO 3 Ca 0.00 -1.98 -0.36 0.00 -0.04 0.00 0.00 63.50 61.11 1xed n PRO 3 Cb 0.00 -1.45 -0.07 0.00 -0.04 0.00 0.00 33.50 31.94 1xed n PRO 3 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xed s ILE 4 N -1.30 5.28 0.11 0.52 -1.09 -1.26 -4.24 121.20 119.21 1xed s ILE 4 Ca 0.37 0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.94 1xed s ILE 4 Cb 0.19 -3.30 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 1xed s ILE 4 CO 0.25 0.59 -0.08 -0.36 -1.23 0.00 0.00 174.94 174.11 1xed s PHE 5 N -0.81 0.99 -0.27 3.97 0.40 -0.65 -4.61 117.98 117.00 1xed s PHE 5 Ca 0.13 -0.86 0.00 0.00 -0.60 0.00 0.00 56.93 55.60 1xed s PHE 5 Cb -0.12 -0.55 0.00 0.00 0.51 0.00 0.00 43.02 42.86 1xed s PHE 5 CO 0.03 -0.08 0.00 0.41 0.70 0.00 0.00 175.22 176.28 1xed n GLY 6 N -0.06 -0.57 3.59 4.36 0.00 -1.26 0.03 105.19 111.27 1xed n GLY 6 Ca -0.12 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 1xed n GLY 6 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xed s PRO 7 N -0.11 3.65 0.34 1.61 0.02 -1.26 -4.92 135.00 134.33 1xed s PRO 7 Ca 0.00 0.40 0.05 0.00 0.02 0.00 0.00 61.00 61.48 1xed s PRO 7 Cb 0.00 -3.92 0.69 0.00 0.02 0.00 0.00 34.50 31.30 1xed s PRO 7 CO 0.00 -1.32 1.91 0.93 -0.33 0.00 0.00 177.00 178.19 1xed h GLU 8 N 9.17 0.80 -3.42 5.54 5.08 -1.95 -3.40 114.58 126.40 1xed h GLU 8 Ca -0.23 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 57.89 1xed h GLU 8 Cb 1.07 -0.18 -0.26 0.00 0.50 0.00 0.00 28.75 29.88 1xed h GLU 8 CO 1.09 0.53 -0.54 -1.83 -1.00 0.00 0.00 179.01 177.26 1xed s GLU 9 N -5.75 0.22 -0.05 2.33 -1.05 -1.26 -1.52 118.70 111.62 1xed s GLU 9 Ca -0.10 0.09 0.01 0.00 -0.15 0.00 0.00 54.97 54.82 1xed s GLU 9 Cb 0.20 0.10 0.02 0.00 -0.44 0.00 0.00 34.13 34.01 1xed s GLU 9 CO 0.79 -0.03 -0.06 0.08 0.95 0.00 0.00 175.26 176.98 1xed s VAL 10 N -0.18 0.65 -0.00 1.83 1.01 0.67 -4.93 120.40 119.45 1xed s VAL 10 Ca -0.03 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.83 1xed s VAL 10 Cb -0.02 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 1xed s VAL 10 CO 0.00 0.25 -0.23 0.20 0.00 0.00 0.00 175.10 175.33 1xed s ASN 11 N 0.85 3.39 0.08 3.32 0.01 -1.26 -1.11 114.94 120.21 1xed s ASN 11 Ca -0.12 -0.43 -0.01 0.00 -0.71 0.00 0.00 52.86 51.59 1xed s ASN 11 Cb -0.15 -0.47 0.00 0.00 0.41 0.00 0.00 41.25 41.04 1xed s ASN 11 CO 0.01 0.30 0.11 -0.24 -1.51 0.00 0.00 177.10 175.77 1xed n SER 12 N 2.13 -0.31 -4.24 -1.22 2.88 -0.72 -4.97 113.62 107.17 1xed n SER 12 Ca -0.16 -1.41 -0.25 0.00 -1.33 0.00 0.00 58.87 55.72 1xed n SER 12 Cb 0.52 0.57 -0.14 0.00 -0.75 0.00 0.00 64.21 64.41 1xed n SER 12 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1xed s VAL 13 N -2.54 1.61 -0.06 2.46 1.01 -1.26 -1.26 120.40 120.37 1xed s VAL 13 Ca 0.06 -1.14 -0.35 0.00 0.00 0.00 0.00 61.98 60.55 1xed s VAL 13 Cb -0.00 -1.40 -0.13 0.00 0.00 0.00 0.00 36.38 34.85 1xed s VAL 13 CO 0.04 0.22 1.80 1.21 0.00 0.00 0.00 175.10 178.37 1xed n GLU 14 N 1.94 2.04 0.00 2.72 2.13 -0.85 -1.10 120.64 127.51 1xed n GLU 14 Ca -0.17 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.40 1xed n GLU 14 Cb 0.53 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.69 1xed n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xed n GLY 15 N 4.16 2.05 3.97 8.31 0.00 0.39 -4.81 105.19 119.25 1xed n GLY 15 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 1xed n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xed n ASN 16 N 0.00 1.54 -4.38 1.61 5.03 -0.26 -4.27 115.26 114.53 1xed n ASN 16 Ca 0.00 -2.25 -0.26 0.00 0.87 0.00 0.00 54.58 52.94 1xed n ASN 16 Cb 0.00 -0.61 -0.12 0.00 -1.02 0.00 0.00 39.78 38.03 1xed n ASN 16 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1xed s SER 17 N -5.05 3.17 0.11 6.41 1.04 -1.26 -1.88 113.70 116.25 1xed s SER 17 Ca 0.66 -0.81 0.08 0.00 0.48 0.00 0.00 55.95 56.37 1xed s SER 17 Cb -0.04 -0.22 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 1xed s SER 17 CO 0.44 0.10 -0.21 0.68 0.98 0.00 0.00 173.24 175.23 1xed s VAL 18 N -1.50 1.77 -0.22 5.02 -7.23 -0.31 -4.97 120.40 112.96 1xed s VAL 18 Ca 0.16 -1.62 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 1xed s VAL 18 Cb -0.08 -1.64 0.05 0.00 0.56 0.00 0.00 36.38 35.27 1xed s VAL 18 CO 0.08 -0.09 -0.12 -0.55 -0.31 0.00 0.00 175.10 174.11 1xed s SER 19 N -2.04 3.77 -0.28 4.85 0.15 -1.26 -1.57 113.70 117.32 1xed s SER 19 Ca 0.08 -1.06 -0.09 0.00 0.70 0.00 0.00 55.95 55.59 1xed s SER 19 Cb -0.09 -1.39 -0.03 0.00 -1.71 0.00 0.00 66.02 62.80 1xed s SER 19 CO 0.05 -0.14 0.13 -0.63 1.20 0.00 0.00 173.24 173.85 1xed s ILE 20 N 1.27 4.68 -0.24 6.45 -1.09 0.00 -4.94 121.20 127.33 1xed s ILE 20 Ca -0.03 -0.18 -0.07 0.00 -2.23 0.00 0.00 60.65 58.14 1xed s ILE 20 Cb -0.17 -3.28 -0.02 0.00 -1.58 0.00 0.00 42.46 37.40 1xed s ILE 20 CO -0.08 0.21 0.05 -0.89 -1.23 0.00 0.00 174.94 173.00 1xed s THR 21 N 1.65 4.13 -0.06 2.92 2.01 -1.26 -1.04 115.64 123.99 1xed s THR 21 Ca 0.06 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 61.86 1xed s THR 21 Cb -0.16 -2.92 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 1xed s THR 21 CO 0.07 0.36 -0.16 0.00 -0.69 0.00 0.00 174.62 174.20 1xed s TYR 23 N -0.47 3.35 0.05 0.00 1.51 0.10 -2.10 117.35 119.79 1xed s TYR 23 Ca 0.06 0.28 -0.06 0.00 -1.01 0.00 0.00 57.07 56.34 1xed s TYR 23 Cb -0.12 -1.80 -0.01 0.00 -0.11 0.00 0.00 41.96 39.92 1xed s TYR 23 CO 0.02 0.58 0.11 1.52 -1.11 0.00 0.00 175.55 176.67 1xed s TYR 24 N -1.11 0.21 0.07 2.71 -0.85 0.01 -1.64 117.35 116.75 1xed s TYR 24 Ca 0.20 -0.57 -0.32 0.00 -0.52 0.00 0.00 57.07 55.86 1xed s TYR 24 Cb -0.12 -0.14 -0.11 0.00 0.38 0.00 0.00 41.96 41.97 1xed s TYR 24 CO 0.10 -0.41 1.86 -2.30 -1.52 0.00 0.00 175.55 173.28 1xed n PRO 25 N 0.49 2.65 -0.33 -3.49 -0.02 -1.26 -4.65 135.00 128.38 1xed n PRO 25 Ca -0.17 0.97 -0.30 0.00 -2.02 0.00 0.00 63.50 61.97 1xed n PRO 25 Cb 0.60 -2.86 -0.08 0.00 -0.02 0.00 0.00 33.50 31.14 1xed n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xed n PRO 26 N 6.09 0.00 -4.22 0.52 -0.02 -1.26 -4.69 135.00 131.42 1xed n PRO 26 Ca 0.19 -0.83 -0.23 0.00 -2.02 0.00 0.00 63.50 60.61 1xed n PRO 26 Cb 0.36 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 1xed n PRO 26 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xed s THR 27 N 6.33 3.42 0.20 3.45 -4.23 -1.26 -5.01 115.64 118.54 1xed s THR 27 Ca 0.46 -1.79 -0.04 0.00 -1.18 0.00 0.00 61.69 59.14 1xed s THR 27 Cb 0.10 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.99 1xed s THR 27 CO 0.23 -0.31 1.57 0.28 -0.54 0.00 0.00 174.62 175.85 1xed h SER 28 N 1.74 0.73 -0.23 3.99 0.02 -1.98 0.15 113.55 117.97 1xed h SER 28 Ca -0.44 -0.32 0.06 0.00 -0.84 0.00 0.00 61.79 60.24 1xed h SER 28 Cb 1.25 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.52 1xed h SER 28 CO 0.61 1.03 -0.16 0.58 -1.14 0.00 0.00 176.83 177.76 1xed h VAL 29 N 0.57 0.55 -0.12 2.27 2.07 -1.95 -1.64 116.25 118.02 1xed h VAL 29 Ca 0.05 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.41 1xed h VAL 29 Cb 0.90 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1xed h VAL 29 CO 0.08 0.00 -0.61 0.78 0.02 0.00 0.00 177.57 177.84 1xed h ASN 30 N -0.14 0.47 -0.01 0.57 2.35 -1.78 -1.00 115.58 116.04 1xed h ASN 30 Ca 0.13 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1xed h ASN 30 Cb 0.34 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1xed h ASN 30 CO -0.32 0.97 0.01 -0.09 -1.65 0.00 0.00 177.43 176.35 1xed h ARG 31 N 0.31 0.00 0.00 0.81 1.12 -0.08 -2.97 114.38 113.57 1xed h ARG 31 Ca -0.01 0.00 -0.36 0.00 -1.11 0.00 0.00 59.98 58.50 1xed h ARG 31 Cb 1.15 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 31.05 1xed h ARG 31 CO 0.11 0.00 -2.36 0.72 -3.11 0.00 0.00 179.97 175.32 1xed n HIS 32 N -3.56 0.00 -1.59 2.20 8.25 -0.67 -4.97 115.22 114.88 1xed n HIS 32 Ca -0.03 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.05 1xed n HIS 32 Cb 0.09 -0.94 0.05 0.00 1.12 0.00 0.00 29.99 30.31 1xed n HIS 32 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1xed n THR 33 N -3.04 3.44 -1.73 1.59 -2.24 -0.41 -4.91 114.28 106.99 1xed n THR 33 Ca -0.39 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.47 1xed n THR 33 Cb 1.02 -1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.16 1xed n THR 33 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1xed n ARG 34 N -0.83 2.63 -4.51 -0.78 0.63 -1.26 -4.74 116.66 107.79 1xed n ARG 34 Ca 0.13 0.94 -0.34 0.00 -0.92 0.00 0.00 57.85 57.66 1xed n ARG 34 Cb 0.47 -2.71 -0.10 0.00 0.45 0.00 0.00 32.46 30.57 1xed n ARG 34 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1xed s LYS 35 N -0.39 2.80 0.07 -0.14 -0.14 -1.26 -0.62 119.74 120.07 1xed s LYS 35 Ca 0.65 -0.52 -0.02 0.00 -1.36 0.00 0.00 55.97 54.71 1xed s LYS 35 Cb -0.51 -2.65 -0.03 0.00 -1.68 0.00 0.00 37.83 32.95 1xed s LYS 35 CO 0.48 0.67 0.03 1.52 -0.76 0.00 0.00 175.35 177.28 1xed s TYR 36 N -0.87 0.53 -0.13 3.18 -0.85 -0.34 -1.07 117.35 117.82 1xed s TYR 36 Ca 0.14 -1.03 -0.02 0.00 -0.52 0.00 0.00 57.07 55.64 1xed s TYR 36 Cb -0.11 -0.35 0.04 0.00 0.38 0.00 0.00 41.96 41.92 1xed s TYR 36 CO 0.03 -0.44 0.02 -0.46 -1.52 0.00 0.00 175.55 173.17 1xed s TRP 37 N -3.94 0.83 0.17 -3.49 -0.11 -0.68 -1.72 118.94 110.00 1xed s TRP 37 Ca 0.10 -0.47 0.04 0.00 1.22 0.00 0.00 56.10 57.00 1xed s TRP 37 Cb 0.07 -0.90 -0.05 0.00 -1.50 0.00 0.00 33.47 31.09 1xed s TRP 37 CO -0.08 -0.45 -0.08 0.00 -4.62 0.00 0.00 176.95 171.72 1xed s ARG 39 N -3.77 3.44 -0.21 0.00 3.52 -0.44 -0.76 118.95 120.73 1xed s ARG 39 Ca 0.20 -0.43 -0.29 0.00 -0.13 0.00 0.00 55.73 55.08 1xed s ARG 39 Cb 0.03 -2.92 0.01 0.00 -1.56 0.00 0.00 34.95 30.50 1xed s ARG 39 CO 0.03 0.45 1.04 -0.65 -0.81 0.00 0.00 175.30 175.36 1xed s GLN 40 N -0.18 4.29 0.56 5.12 -0.21 0.61 -0.93 119.66 128.91 1xed s GLN 40 Ca 0.05 1.37 -0.14 0.00 0.02 0.00 0.00 55.36 56.65 1xed s GLN 40 Cb -0.13 -3.62 -0.06 0.00 1.00 0.00 0.00 33.01 30.20 1xed s GLN 40 CO 0.02 -0.58 1.01 0.20 -2.12 0.00 0.00 175.29 173.82 1xed s GLY 41 N 1.19 1.91 0.57 3.09 0.00 0.95 -4.65 107.32 110.39 1xed s GLY 41 Ca 0.45 0.10 0.32 0.00 0.00 0.00 0.00 44.72 45.59 1xed s GLY 41 CO 0.08 0.38 2.18 0.00 0.00 0.00 0.00 173.10 175.73 1xed h ALA 42 N 0.38 1.28 -0.39 3.20 0.00 -1.96 -2.10 119.26 119.67 1xed h ALA 42 Ca -0.46 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 1xed h ALA 42 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1xed h ALA 42 CO 0.61 0.07 -0.37 0.07 0.00 0.00 0.00 179.25 179.63 1xed h ARG 43 N 0.00 0.94 0.00 0.00 -0.00 -2.02 -3.47 114.38 109.82 1xed h ARG 43 Ca -0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 59.98 59.49 1xed h ARG 43 Cb 0.19 0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.18 1xed h ARG 43 CO 0.01 1.14 0.00 0.41 -0.00 0.00 0.00 179.97 181.53 1xed n GLY 44 N 0.12 0.19 3.61 0.08 0.00 -0.79 -5.16 105.19 103.24 1xed n GLY 44 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1xed n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xed s GLY 45 N -0.66 2.26 -0.28 -0.02 0.00 -1.26 -4.89 107.32 102.47 1xed s GLY 45 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 44.72 42.61 1xed s GLY 45 CO 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 173.10 171.05 1xed s ILE 47 N 1.21 4.95 0.20 0.00 1.09 -0.11 -4.79 121.20 123.75 1xed s ILE 47 Ca -0.06 1.17 -0.32 0.00 -1.10 0.00 0.00 60.65 60.35 1xed s ILE 47 Cb -0.19 -3.97 -0.11 0.00 -1.06 0.00 0.00 42.46 37.12 1xed s ILE 47 CO -0.03 -0.01 1.66 -0.89 -0.10 0.00 0.00 174.94 175.57 1xed s THR 48 N 2.58 2.22 -0.18 2.92 2.01 -1.26 -1.33 115.64 122.59 1xed s THR 48 Ca 0.28 0.16 0.09 0.00 0.31 0.00 0.00 61.69 62.52 1xed s THR 48 Cb -0.15 -3.10 -0.18 0.00 0.01 0.00 0.00 72.50 69.08 1xed s THR 48 CO 0.09 0.01 -0.05 0.18 -0.69 0.00 0.00 174.62 174.16 1xed n LEU 49 N 3.79 1.28 -3.63 4.42 4.77 0.36 -4.69 117.00 123.30 1xed n LEU 49 Ca 0.14 -0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 1xed n LEU 49 Cb 0.36 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.30 1xed n LEU 49 CO 0.63 0.60 0.54 -0.51 -1.33 0.00 0.00 177.39 177.32 1xed s ILE 50 N -2.41 0.00 0.19 -0.08 2.07 -1.13 0.12 121.20 119.96 1xed s ILE 50 Ca -0.17 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.09 1xed s ILE 50 Cb 0.06 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.60 1xed s ILE 50 CO 0.60 0.00 0.02 -0.94 -1.91 0.00 0.00 174.94 172.71 1xed s SER 51 N 0.30 1.21 0.00 4.50 1.04 -0.89 -1.69 113.70 118.17 1xed s SER 51 Ca 0.01 -1.22 0.22 0.00 0.48 0.00 0.00 55.95 55.45 1xed s SER 51 Cb -0.05 0.13 0.99 0.00 0.10 0.00 0.00 66.02 67.19 1xed s SER 51 CO -0.02 -0.60 1.72 -1.54 0.98 0.00 0.00 173.24 173.78 1xed n SER 52 N -0.29 0.00 0.24 7.02 3.41 -0.23 -2.70 113.62 121.08 1xed n SER 52 Ca -0.05 0.39 0.13 0.00 -0.26 0.00 0.00 58.87 59.07 1xed n SER 52 Cb 0.64 -0.46 0.52 0.00 -0.26 0.00 0.00 64.21 64.65 1xed n SER 52 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1xed h GLU 53 N 0.00 0.00 0.00 4.33 4.39 -1.96 -3.47 114.58 117.88 1xed h GLU 53 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xed h GLU 53 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1xed h GLU 53 CO 0.00 0.14 0.00 0.41 -1.16 0.00 0.00 179.01 178.40 1xed n GLY 54 N 0.17 2.02 3.77 -3.84 0.00 -1.10 -5.10 105.19 101.11 1xed n GLY 54 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1xed n GLY 54 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xed s TYR 55 N -1.77 2.71 -0.12 1.61 5.04 -1.26 -4.90 117.35 118.67 1xed s TYR 55 Ca 0.00 1.30 -0.05 0.00 -2.44 0.00 0.00 57.07 55.88 1xed s TYR 55 Cb 0.00 -3.84 0.06 0.00 0.35 0.00 0.00 41.96 38.52 1xed s TYR 55 CO 0.00 -2.52 0.25 0.08 -1.34 0.00 0.00 175.55 172.02 1xed s VAL 56 N -1.18 -0.31 0.65 3.14 1.01 -1.26 -2.09 120.40 120.36 1xed s VAL 56 Ca 0.55 0.25 -0.17 0.00 0.00 0.00 0.00 61.98 62.61 1xed s VAL 56 Cb -0.42 -0.41 -0.06 0.00 0.00 0.00 0.00 36.38 35.48 1xed s VAL 56 CO 0.56 0.11 0.59 -0.24 0.00 0.00 0.00 175.10 176.12 1xed n SER 57 N 5.06 -0.84 0.10 3.32 2.88 0.33 -4.79 113.62 119.68 1xed n SER 57 Ca -0.11 0.68 0.01 0.00 -1.33 0.00 0.00 58.87 58.12 1xed n SER 57 Cb 0.51 -1.23 0.33 0.00 -0.75 0.00 0.00 64.21 63.07 1xed n SER 57 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1xed h SER 58 N -0.02 0.26 1.49 -3.46 0.02 -1.96 -2.12 113.55 107.75 1xed h SER 58 Ca -0.46 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 1xed h SER 58 Cb 1.37 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1xed h SER 58 CO 0.45 0.48 0.00 0.11 -1.14 0.00 0.00 176.83 176.73 1xed h LYS 59 N 0.25 0.00 -0.02 3.45 6.56 -1.95 -3.20 116.57 121.66 1xed h LYS 59 Ca 0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1xed h LYS 59 Cb 0.50 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 1xed h LYS 59 CO 0.03 0.00 -0.43 0.66 -2.06 0.00 0.00 179.45 177.65 1xed n TYR 60 N -2.53 0.00 -1.70 -1.35 0.53 -0.85 -4.97 117.16 106.30 1xed n TYR 60 Ca 0.04 0.00 -0.44 0.00 -1.02 0.00 0.00 57.90 56.49 1xed n TYR 60 Cb 0.42 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.70 1xed n TYR 60 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1xed n ALA 61 N 0.06 2.30 -3.69 -0.72 0.00 -0.92 -2.92 120.51 114.62 1xed n ALA 61 Ca 0.09 0.41 -0.24 0.00 0.00 0.00 0.00 53.44 53.71 1xed n ALA 61 Cb 0.46 -2.47 0.06 0.00 0.00 0.00 0.00 19.45 17.50 1xed n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xed n GLY 62 N 3.79 -0.44 0.49 0.00 0.00 -1.26 -4.79 105.19 102.98 1xed n GLY 62 Ca 0.16 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.36 1xed n GLY 62 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xed n ARG 63 N -4.60 0.00 -3.63 1.61 1.85 -1.15 -5.07 116.66 105.68 1xed n ARG 63 Ca -0.10 -0.15 -0.05 0.00 -1.00 0.00 0.00 57.85 56.55 1xed n ARG 63 Cb 0.60 0.40 -0.06 0.00 -1.05 0.00 0.00 32.46 32.35 1xed n ARG 63 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xed s ALA 64 N 0.00 -2.11 -0.03 2.89 0.00 -1.20 -0.95 121.76 120.36 1xed s ALA 64 Ca 0.00 1.77 -0.19 0.00 0.00 0.00 0.00 51.96 53.54 1xed s ALA 64 Cb 0.00 -1.49 0.04 0.00 0.00 0.00 0.00 23.12 21.67 1xed s ALA 64 CO 0.00 -0.20 0.41 0.54 0.00 0.00 0.00 175.76 176.51 1xed s ASN 65 N -0.49 -0.32 -0.00 0.00 2.20 -0.96 -4.91 114.94 110.46 1xed s ASN 65 Ca 0.06 0.27 0.06 0.00 -0.94 0.00 0.00 52.86 52.31 1xed s ASN 65 Cb -0.03 0.39 -0.03 0.00 -2.00 0.00 0.00 41.25 39.58 1xed s ASN 65 CO -0.09 -0.48 -0.18 -0.22 -2.94 0.00 0.00 177.10 173.19 1xed s LEU 66 N -1.26 2.56 -0.06 3.54 0.20 -1.26 -1.68 118.68 120.73 1xed s LEU 66 Ca -0.13 -0.35 -0.02 0.00 0.69 0.00 0.00 54.13 54.32 1xed s LEU 66 Cb -0.04 -1.50 0.04 0.00 -0.43 0.00 0.00 46.19 44.26 1xed s LEU 66 CO 0.06 0.30 0.11 -0.89 -0.29 0.00 0.00 176.35 175.64 1xed s THR 67 N -0.80 -0.13 -0.04 3.68 2.01 -0.66 -4.98 115.64 114.73 1xed s THR 67 Ca 0.13 0.29 -0.18 0.00 0.31 0.00 0.00 61.69 62.24 1xed s THR 67 Cb -0.10 -0.21 -0.05 0.00 0.01 0.00 0.00 72.50 72.15 1xed s THR 67 CO 0.02 0.12 0.48 0.21 -0.69 0.00 0.00 174.62 174.77 1xed s ASN 68 N 1.67 6.82 -0.64 3.53 3.04 -1.26 -0.96 114.94 127.13 1xed s ASN 68 Ca -0.03 0.97 0.05 0.00 0.04 0.00 0.00 52.86 53.90 1xed s ASN 68 Cb -0.12 -2.30 0.20 0.00 -1.54 0.00 0.00 41.25 37.49 1xed s ASN 68 CO -0.05 0.16 0.56 0.49 -3.04 0.00 0.00 177.10 175.22 1xed n PHE 69 N 2.66 2.78 0.21 0.43 3.01 0.14 -4.96 117.46 121.74 1xed n PHE 69 Ca -0.10 -4.13 0.17 0.00 1.01 0.00 0.00 57.45 54.40 1xed n PHE 69 Cb 0.52 -0.51 0.71 0.00 -0.01 0.00 0.00 39.48 40.19 1xed n PHE 69 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1xed h PRO 70 N 4.99 0.00 -0.21 -1.08 0.11 -1.94 -0.94 132.00 132.94 1xed h PRO 70 Ca 0.17 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.19 1xed h PRO 70 Cb 0.75 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1xed h PRO 70 CO 0.71 0.00 -0.22 0.93 -0.21 0.00 0.00 178.00 179.21 1xed h GLU 71 N 0.00 0.52 0.00 1.05 3.07 -1.92 -3.25 114.58 114.04 1xed h GLU 71 Ca 0.10 -0.28 -0.19 0.00 -0.50 0.00 0.00 59.36 58.49 1xed h GLU 71 Cb 1.05 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.94 1xed h GLU 71 CO -0.00 0.86 -0.97 -0.91 -1.40 0.00 0.00 179.01 176.59 1xed h ASN 72 N 0.19 0.00 -1.40 1.42 2.35 -1.66 -3.48 115.58 113.01 1xed h ASN 72 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1xed h ASN 72 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.14 1xed h ASN 72 CO 0.05 0.88 0.00 0.61 -1.65 0.00 0.00 177.43 177.32 1xed n GLY 73 N 1.34 0.65 3.37 2.83 0.00 -0.51 -4.89 105.19 107.98 1xed n GLY 73 Ca -0.01 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 1xed n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xed s THR 74 N -2.80 0.06 -0.01 2.61 -4.23 -1.08 -0.81 115.64 109.38 1xed s THR 74 Ca 0.00 -1.13 -0.06 0.00 -1.18 0.00 0.00 61.69 59.32 1xed s THR 74 Cb 0.00 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 72.19 1xed s THR 74 CO 0.00 -0.29 0.13 0.72 -0.54 0.00 0.00 174.62 174.64 1xed s PHE 75 N -3.92 -0.01 -0.07 3.99 -0.71 -0.89 0.24 117.98 116.62 1xed s PHE 75 Ca 0.12 0.00 0.05 0.00 -1.04 0.00 0.00 56.93 56.07 1xed s PHE 75 Cb 0.02 -0.03 -0.01 0.00 -1.21 0.00 0.00 43.02 41.80 1xed s PHE 75 CO -0.03 -0.22 -0.24 0.08 -1.34 0.00 0.00 175.22 173.47 1xed s VAL 76 N -0.95 2.02 -0.24 -2.49 1.01 -0.13 -1.82 120.40 117.80 1xed s VAL 76 Ca -0.10 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 60.79 1xed s VAL 76 Cb -0.06 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 1xed s VAL 76 CO 0.01 0.56 0.00 -0.69 0.00 0.00 0.00 175.10 174.98 1xed s VAL 77 N -0.03 3.65 -0.17 2.92 1.01 -0.20 -1.65 120.40 125.93 1xed s VAL 77 Ca -0.07 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 1xed s VAL 77 Cb -0.15 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 1xed s VAL 77 CO 0.05 0.34 0.02 0.20 0.00 0.00 0.00 175.10 175.70 1xed s ASN 78 N 1.50 5.26 -0.13 3.32 -0.87 -0.67 -0.82 114.94 122.53 1xed s ASN 78 Ca 0.05 -0.00 0.00 0.00 -1.57 0.00 0.00 52.86 51.34 1xed s ASN 78 Cb -0.15 -1.87 0.02 0.00 -0.02 0.00 0.00 41.25 39.24 1xed s ASN 78 CO -0.01 0.18 -0.11 -0.63 -2.57 0.00 0.00 177.10 173.96 1xed s ILE 79 N 0.30 1.28 0.43 0.60 1.01 -0.61 -2.26 121.20 121.96 1xed s ILE 79 Ca 0.00 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.27 1xed s ILE 79 Cb -0.13 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1xed s ILE 79 CO 0.01 0.41 0.33 0.00 0.00 0.00 0.00 174.94 175.70 1xed s ALA 80 N 1.55 3.98 -1.34 9.38 0.00 -0.13 -1.16 121.76 134.04 1xed s ALA 80 Ca 0.04 -1.89 -0.04 0.00 0.00 0.00 0.00 51.96 50.07 1xed s ALA 80 Cb -0.13 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1xed s ALA 80 CO -0.09 -0.24 0.86 1.04 0.00 0.00 0.00 175.76 177.33 1xed n GLN 81 N -1.49 -5.61 -1.96 0.00 6.02 -1.20 -4.87 117.38 108.26 1xed n GLN 81 Ca 0.02 0.67 -0.41 0.00 -0.01 0.00 0.00 57.00 57.27 1xed n GLN 81 Cb 0.63 -5.42 -0.02 0.00 1.02 0.00 0.00 30.24 26.45 1xed n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xed s LEU 82 N -6.82 4.38 0.39 1.08 1.43 -0.79 -4.72 118.68 113.63 1xed s LEU 82 Ca 0.20 2.79 0.07 0.00 -1.03 0.00 0.00 54.13 56.16 1xed s LEU 82 Cb -0.10 -3.64 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 1xed s LEU 82 CO 0.80 -0.73 -0.00 -0.94 0.23 0.00 0.00 176.35 175.70 1xed s SER 83 N 0.09 3.67 0.34 2.29 1.04 -1.26 0.15 113.70 120.02 1xed s SER 83 Ca 0.56 -1.34 0.04 0.00 0.48 0.00 0.00 55.95 55.70 1xed s SER 83 Cb -0.43 -0.35 0.67 0.00 0.10 0.00 0.00 66.02 66.01 1xed s SER 83 CO 0.50 -0.42 1.94 -0.61 0.98 0.00 0.00 173.24 175.62 1xed h GLN 84 N 1.86 0.82 -0.06 4.02 5.75 -1.86 -1.39 115.11 124.24 1xed h GLN 84 Ca -0.43 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.04 1xed h GLN 84 Cb 1.24 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 29.60 1xed h GLN 84 CO 0.78 0.54 0.15 -0.44 -2.65 0.00 0.00 178.83 177.21 1xed h ASP 85 N 0.84 0.00 1.03 -0.69 3.32 -1.95 -0.58 116.42 118.39 1xed h ASP 85 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1xed h ASP 85 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1xed h ASP 85 CO -0.12 0.00 0.00 0.44 -1.72 0.00 0.00 179.24 177.84 1xed h ASP 86 N 0.00 0.00 -2.97 6.45 3.32 -1.64 -3.44 116.42 118.15 1xed h ASP 86 Ca 0.03 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.56 1xed h ASP 86 Cb 0.32 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.94 1xed h ASP 86 CO -0.00 0.00 0.94 -0.44 -1.72 0.00 0.00 179.24 178.02 1xed s SER 87 N -5.06 6.41 0.00 6.45 0.01 -0.23 -4.84 113.70 116.44 1xed s SER 87 Ca 0.04 2.87 0.00 0.00 1.31 0.00 0.00 55.95 60.16 1xed s SER 87 Cb 0.09 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1xed s SER 87 CO 0.50 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.84 1xed n GLY 88 N 3.18 -1.18 3.54 3.44 0.00 0.11 -4.97 105.19 109.31 1xed n GLY 88 Ca 0.12 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 1xed n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xed s ARG 89 N -1.67 3.26 0.39 1.61 0.52 -1.26 -0.38 118.95 121.42 1xed s ARG 89 Ca 0.00 -0.52 0.05 0.00 -0.52 0.00 0.00 55.73 54.74 1xed s ARG 89 Cb 0.00 -2.77 -0.02 0.00 0.52 0.00 0.00 34.95 32.67 1xed s ARG 89 CO 0.00 0.45 0.19 0.71 0.02 0.00 0.00 175.30 176.66 1xed s TYR 90 N -0.20 1.78 -0.09 -0.53 1.51 0.91 -0.29 117.35 120.44 1xed s TYR 90 Ca 0.03 -1.45 -0.11 0.00 -1.01 0.00 0.00 57.07 54.54 1xed s TYR 90 Cb -0.13 -1.01 0.03 0.00 -0.11 0.00 0.00 41.96 40.74 1xed s TYR 90 CO 0.02 -0.52 0.29 0.15 -1.11 0.00 0.00 175.55 174.39 1xed s LYS 91 N -3.59 0.42 -0.05 -0.62 1.02 0.06 -0.63 119.74 116.36 1xed s LYS 91 Ca 0.28 0.26 0.05 0.00 0.02 0.00 0.00 55.97 56.58 1xed s LYS 91 Cb 0.02 0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 37.50 1xed s LYS 91 CO 0.19 -0.07 -0.19 0.00 -0.92 0.00 0.00 175.35 174.36 1xed n GLY 93 N 2.49 1.10 3.41 0.00 0.00 -0.70 0.23 105.19 111.72 1xed n GLY 93 Ca -0.17 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.43 1xed n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xed s LEU 94 N 0.00 2.47 0.00 0.99 1.43 -0.48 -1.20 118.68 121.90 1xed s LEU 94 Ca 0.14 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 1xed s LEU 94 Cb -0.03 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 45.10 1xed s LEU 94 CO 0.08 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.34 1xed n GLY 95 N 0.07 -0.43 3.77 -3.19 0.00 0.21 -4.65 105.19 100.97 1xed n GLY 95 Ca -0.11 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 1xed n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xed s ILE 96 N 0.00 2.42 -1.80 -0.61 -1.09 -1.26 -4.80 121.20 114.06 1xed s ILE 96 Ca 0.00 0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.83 1xed s ILE 96 Cb 0.00 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.63 1xed s ILE 96 CO 0.00 0.09 0.41 0.59 -1.23 0.00 0.00 174.94 174.80 1xed n ASN 97 N 0.46 0.00 -3.55 3.58 4.13 -1.26 -3.49 115.26 115.12 1xed n ASN 97 Ca 0.02 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 56.00 1xed n ASN 97 Cb 0.41 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.56 1xed n ASN 97 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1xed n SER 98 N -0.91 3.24 0.00 6.41 2.88 -1.26 -4.56 113.62 119.43 1xed n SER 98 Ca 0.00 -3.31 0.00 0.00 -1.33 0.00 0.00 58.87 54.23 1xed n SER 98 Cb 0.00 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1xed n SER 98 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xed n ARG 99 N 1.26 0.00 0.00 -1.46 3.00 -1.23 -5.03 116.66 113.21 1xed n ARG 99 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.10 1xed n ARG 99 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.86 1xed n ARG 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xed n GLY 100 N 0.00 0.99 3.56 -0.13 0.00 -1.26 -4.88 105.19 103.47 1xed n GLY 100 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1xed n GLY 100 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xed n LEU 101 N 0.00 1.34 -3.87 0.99 4.77 -1.26 -4.75 117.00 114.21 1xed n LEU 101 Ca 0.00 -2.35 -0.09 0.00 -0.03 0.00 0.00 56.01 53.54 1xed n LEU 101 Cb 0.00 -1.53 -0.00 0.00 -2.33 0.00 0.00 43.42 39.55 1xed n LEU 101 CO 0.00 -3.35 0.44 -0.94 -1.33 0.00 0.00 177.39 172.20 1xed s SER 102 N 8.23 0.00 -0.03 -1.43 1.04 -1.26 -1.38 113.70 118.88 1xed s SER 102 Ca 0.79 -0.99 0.02 0.00 0.48 0.00 0.00 55.95 56.25 1xed s SER 102 Cb -0.01 0.77 0.01 0.00 0.10 0.00 0.00 66.02 66.88 1xed s SER 102 CO 0.21 -1.49 -0.06 0.12 0.98 0.00 0.00 173.24 173.01 1xed s PHE 103 N -3.08 0.76 -0.09 5.02 5.36 0.14 -4.57 117.98 121.51 1xed s PHE 103 Ca 0.16 -0.19 -0.29 0.00 -0.96 0.00 0.00 56.93 55.65 1xed s PHE 103 Cb -0.04 -0.61 -0.02 0.00 -0.34 0.00 0.00 43.02 42.01 1xed s PHE 103 CO 0.11 -0.13 0.97 -0.51 -1.46 0.00 0.00 175.22 174.19 1xed s ASP 104 N 0.54 7.23 -0.10 6.13 1.11 -1.26 -1.50 116.67 128.82 1xed s ASP 104 Ca -0.07 1.51 0.02 0.00 0.18 0.00 0.00 52.55 54.19 1xed s ASP 104 Cb -0.11 -2.54 0.01 0.00 1.07 0.00 0.00 42.92 41.35 1xed s ASP 104 CO 0.00 -0.39 -0.17 -0.69 1.18 0.00 0.00 175.17 175.11 1xed s VAL 105 N 1.74 1.57 -0.28 -1.27 1.01 0.20 -4.49 120.40 118.89 1xed s VAL 105 Ca 0.48 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 1xed s VAL 105 Cb -0.19 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1xed s VAL 105 CO 0.20 0.45 0.16 -0.55 0.00 0.00 0.00 175.10 175.36 1xed s SER 106 N 0.78 5.74 -0.19 3.32 0.15 -0.57 -0.06 113.70 122.87 1xed s SER 106 Ca -0.11 -0.14 -0.04 0.00 0.70 0.00 0.00 55.95 56.37 1xed s SER 106 Cb -0.16 -2.06 -0.02 0.00 -1.71 0.00 0.00 66.02 62.08 1xed s SER 106 CO 0.02 -0.07 -0.04 -0.22 1.20 0.00 0.00 173.24 174.12 1xed s LEU 107 N 1.71 3.05 -0.21 3.45 2.96 0.49 -0.24 118.68 129.89 1xed s LEU 107 Ca 0.07 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 1xed s LEU 107 Cb -0.16 -1.76 0.04 0.00 0.50 0.00 0.00 46.19 44.81 1xed s LEU 107 CO 0.09 0.07 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.35 1xed s GLU 108 N 0.96 2.37 -0.34 1.98 2.56 -0.26 0.05 118.70 126.01 1xed s GLU 108 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 54.97 53.89 1xed s GLU 108 Cb -0.15 -2.58 -0.00 0.00 2.00 0.00 0.00 34.13 33.40 1xed s GLU 108 CO 0.01 -0.40 0.21 0.08 -0.56 0.00 0.00 175.26 174.60 1xed s VAL 109 N 1.29 4.93 0.68 3.70 1.01 -1.26 -1.76 120.40 129.00 1xed s VAL 109 Ca -0.01 -0.44 -0.15 0.00 0.00 0.00 0.00 61.98 61.38 1xed s VAL 109 Cb -0.16 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1xed s VAL 109 CO -0.09 -0.05 1.13 -0.76 0.00 0.00 0.00 175.10 175.34 1xed s LEU 110 N 1.65 3.36 0.16 3.92 1.43 -0.39 -4.60 118.68 124.22 1xed s LEU 110 Ca 0.05 2.09 -0.31 0.00 -1.03 0.00 0.00 54.13 54.93 1xed s LEU 110 Cb -0.18 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.39 1xed s LEU 110 CO 0.08 -1.82 1.41 -1.61 0.23 0.00 0.00 176.35 174.64 1xed s GLU 111 N -4.07 4.31 0.00 1.70 0.41 -1.26 -2.01 118.70 117.79 1xed s GLU 111 Ca 0.69 2.15 0.00 0.00 -0.41 0.00 0.00 54.97 57.40 1xed s GLU 111 Cb -0.23 -3.20 0.00 0.00 -1.78 0.00 0.00 34.13 28.93 1xed s GLU 111 CO 0.43 -0.42 0.00 1.58 -0.49 0.00 0.00 175.26 176.36