#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 2.17 -3.84 -1.46 -0.02 -1.26 -4.88 135.00 125.71 1xed n PRO 3 Ca 0.00 -1.19 -0.36 0.00 -2.02 0.00 0.00 63.50 59.93 1xed n PRO 3 Cb 0.00 -1.54 -0.07 0.00 -0.02 0.00 0.00 33.50 31.87 1xed n PRO 3 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xed s ILE 4 N -1.66 5.40 0.20 4.25 1.09 -1.26 -4.35 121.20 124.87 1xed s ILE 4 Ca 0.21 0.18 0.03 0.00 -1.10 0.00 0.00 60.65 59.97 1xed s ILE 4 Cb 0.14 -3.40 -0.05 0.00 -1.06 0.00 0.00 42.46 38.09 1xed s ILE 4 CO 0.10 0.54 -0.02 -0.36 -0.10 0.00 0.00 174.94 175.10 1xed s PHE 5 N -0.37 1.42 -1.57 3.97 0.40 -0.76 -4.62 117.98 116.44 1xed s PHE 5 Ca 0.11 -0.93 0.00 0.00 -0.60 0.00 0.00 56.93 55.52 1xed s PHE 5 Cb -0.12 -0.81 0.00 0.00 0.51 0.00 0.00 43.02 42.61 1xed s PHE 5 CO 0.01 -0.07 0.00 0.41 0.70 0.00 0.00 175.22 176.27 1xed n GLY 6 N -0.34 -0.57 3.59 4.36 0.00 -1.26 -0.42 105.19 110.55 1xed n GLY 6 Ca -0.06 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 1xed n GLY 6 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xed s PRO 7 N -0.63 3.72 0.33 1.61 0.04 -1.26 -4.92 135.00 133.90 1xed s PRO 7 Ca 0.00 0.46 0.04 0.00 0.04 0.00 0.00 61.00 61.54 1xed s PRO 7 Cb 0.00 -3.87 0.66 0.00 0.04 0.00 0.00 34.50 31.33 1xed s PRO 7 CO 0.00 -1.14 1.92 1.49 0.04 0.00 0.00 177.00 179.31 1xed h GLU 8 N 8.84 0.85 -3.45 4.56 4.81 -1.94 -3.41 114.58 124.83 1xed h GLU 8 Ca -0.23 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 58.75 1xed h GLU 8 Cb 1.07 -0.19 -0.27 0.00 0.63 0.00 0.00 28.75 30.00 1xed h GLU 8 CO 1.03 0.56 -0.58 -1.21 -0.73 0.00 0.00 179.01 178.09 1xed s GLU 9 N -5.78 0.15 -0.04 1.92 2.02 -1.26 -1.54 118.70 114.17 1xed s GLU 9 Ca -0.11 0.14 0.01 0.00 0.02 0.00 0.00 54.97 55.04 1xed s GLU 9 Cb 0.20 0.07 0.02 0.00 0.10 0.00 0.00 34.13 34.52 1xed s GLU 9 CO 0.79 -0.02 -0.05 0.08 0.02 0.00 0.00 175.26 176.07 1xed s VAL 10 N 0.00 0.58 0.04 2.63 1.01 0.63 -4.93 120.40 120.36 1xed s VAL 10 Ca -0.01 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 61.90 1xed s VAL 10 Cb -0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1xed s VAL 10 CO 0.00 0.23 -0.24 0.20 0.00 0.00 0.00 175.10 175.29 1xed s ASN 11 N 0.81 2.90 0.23 3.32 0.02 -1.26 -0.88 114.94 120.08 1xed s ASN 11 Ca -0.11 -0.55 -0.02 0.00 -1.02 0.00 0.00 52.86 51.16 1xed s ASN 11 Cb -0.14 -0.27 0.01 0.00 0.02 0.00 0.00 41.25 40.87 1xed s ASN 11 CO 0.01 0.23 0.33 -0.24 0.02 0.00 0.00 177.10 177.45 1xed n SER 12 N 1.90 -0.94 -4.47 -1.22 2.88 0.13 -4.96 113.62 106.96 1xed n SER 12 Ca -0.17 -2.19 -0.24 0.00 -1.33 0.00 0.00 58.87 54.94 1xed n SER 12 Cb 0.52 1.72 -0.10 0.00 -0.75 0.00 0.00 64.21 65.60 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 -2.65 2.48 0.10 2.46 1.01 -1.26 -2.13 120.40 120.40 1xed s VAL 13 Ca 0.18 -2.35 -0.35 0.00 0.00 0.00 0.00 61.98 59.46 1xed s VAL 13 Cb -0.01 -2.29 -0.14 0.00 0.00 0.00 0.00 36.38 33.94 1xed s VAL 13 CO 0.13 -0.36 1.56 -0.62 0.00 0.00 0.00 175.10 175.81 1xed n GLU 14 N -0.50 1.87 0.00 2.72 1.02 0.32 -1.41 120.64 124.66 1xed n GLU 14 Ca -0.06 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 1xed n GLU 14 Cb 0.59 -2.42 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 1xed n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xed n GLY 15 N 3.35 3.17 3.70 0.62 0.00 0.12 -4.82 105.19 111.32 1xed n GLY 15 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1xed n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xed s ASN 16 N -0.39 1.44 0.13 1.61 0.01 -0.50 -3.86 114.94 113.38 1xed s ASN 16 Ca 0.00 0.45 0.11 0.00 -0.71 0.00 0.00 52.86 52.71 1xed s ASN 16 Cb 0.00 -0.58 -0.04 0.00 0.41 0.00 0.00 41.25 41.04 1xed s ASN 16 CO 0.00 -3.79 -0.26 -0.44 -1.51 0.00 0.00 177.10 171.10 1xed s SER 17 N -4.26 3.38 0.07 -1.22 0.01 -1.26 -2.51 113.70 107.90 1xed s SER 17 Ca 0.73 -0.74 0.06 0.00 1.31 0.00 0.00 55.95 57.31 1xed s SER 17 Cb -0.07 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.88 1xed s SER 17 CO 0.55 0.18 -0.17 0.68 0.41 0.00 0.00 173.24 174.89 1xed s VAL 18 N -1.09 1.38 -0.25 3.43 -7.23 -0.86 -5.00 120.40 110.77 1xed s VAL 18 Ca 0.15 -1.27 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 1xed s VAL 18 Cb -0.10 -1.26 0.07 0.00 0.56 0.00 0.00 36.38 35.65 1xed s VAL 18 CO 0.07 -0.04 -0.05 -0.55 -0.31 0.00 0.00 175.10 174.21 1xed s SER 19 N -1.52 4.09 -0.34 4.85 0.15 -1.26 -2.07 113.70 117.59 1xed s SER 19 Ca 0.03 -1.34 -0.16 0.00 0.70 0.00 0.00 55.95 55.19 1xed s SER 19 Cb -0.09 -1.30 -0.01 0.00 -1.71 0.00 0.00 66.02 62.91 1xed s SER 19 CO 0.02 -0.24 0.40 -0.63 1.20 0.00 0.00 173.24 173.99 1xed s ILE 20 N 1.29 5.14 -0.23 6.45 -1.09 -0.01 -4.93 121.20 127.82 1xed s ILE 20 Ca -0.05 0.12 -0.06 0.00 -2.23 0.00 0.00 60.65 58.43 1xed s ILE 20 Cb -0.19 -3.85 -0.03 0.00 -1.58 0.00 0.00 42.46 36.81 1xed s ILE 20 CO -0.07 -0.11 0.04 -0.89 -1.23 0.00 0.00 174.94 172.68 1xed s THR 21 N 2.10 4.19 -0.05 2.92 2.01 -1.26 -0.98 115.64 124.56 1xed s THR 21 Ca 0.13 -0.22 0.04 0.00 0.31 0.00 0.00 61.69 61.95 1xed s THR 21 Cb -0.16 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 1xed s THR 21 CO 0.12 0.38 -0.17 0.00 -0.69 0.00 0.00 174.62 174.26 1xed s TYR 23 N -0.54 3.21 0.08 0.00 1.51 0.44 -1.97 117.35 120.08 1xed s TYR 23 Ca 0.07 0.17 -0.08 0.00 -1.01 0.00 0.00 57.07 56.22 1xed s TYR 23 Cb -0.11 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 1xed s TYR 23 CO 0.01 0.52 0.16 1.52 -1.11 0.00 0.00 175.55 176.65 1xed s TYR 24 N -1.13 0.18 0.04 2.71 -0.85 -0.02 -1.83 117.35 116.46 1xed s TYR 24 Ca 0.21 -0.60 -0.30 0.00 -0.52 0.00 0.00 57.07 55.85 1xed s TYR 24 Cb -0.12 -0.10 -0.09 0.00 0.38 0.00 0.00 41.96 42.04 1xed s TYR 24 CO 0.11 -0.51 1.96 -2.14 -1.52 0.00 0.00 175.55 173.46 1xed s PRO 25 N -3.69 4.14 -0.17 -3.49 0.02 -1.26 -4.65 135.00 125.90 1xed s PRO 25 Ca 0.04 2.62 -0.02 0.00 0.02 0.00 0.00 61.00 63.66 1xed s PRO 25 Cb 0.04 -4.13 -0.03 0.00 0.02 0.00 0.00 34.50 30.40 1xed s PRO 25 CO -0.10 -0.95 1.25 -2.30 -0.33 0.00 0.00 177.00 174.57 1xed n PRO 26 N 7.42 0.56 -3.46 5.54 -0.02 -1.26 -4.70 135.00 139.08 1xed n PRO 26 Ca 0.20 -0.53 -0.23 0.00 -2.02 0.00 0.00 63.50 60.92 1xed n PRO 26 Cb 0.41 -1.89 -0.01 0.00 -0.02 0.00 0.00 33.50 31.99 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 3.58 5.05 0.33 3.45 -4.23 -1.26 -4.96 115.64 117.60 1xed s THR 27 Ca 0.13 -0.56 0.02 0.00 -1.18 0.00 0.00 61.69 60.10 1xed s THR 27 Cb 0.05 -3.83 0.23 0.00 1.34 0.00 0.00 72.50 70.28 1xed s THR 27 CO -0.01 -0.50 1.95 0.28 -0.54 0.00 0.00 174.62 175.81 1xed h SER 28 N 0.80 0.71 0.70 3.99 0.02 -1.99 0.83 113.55 118.62 1xed h SER 28 Ca -0.50 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.36 1xed h SER 28 Cb 1.22 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 63.59 1xed h SER 28 CO 0.61 0.58 -0.34 0.58 -1.14 0.00 0.00 176.83 177.13 1xed h VAL 29 N 0.80 0.14 -0.34 2.27 2.07 -1.95 -3.01 116.25 116.24 1xed h VAL 29 Ca 0.20 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 67.55 1xed h VAL 29 Cb 0.04 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1xed h VAL 29 CO -0.03 0.02 0.24 0.78 0.02 0.00 0.00 177.57 178.59 1xed h ASN 30 N -1.16 0.08 -0.76 0.57 2.35 -1.80 -0.41 115.58 114.45 1xed h ASN 30 Ca -0.10 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 55.79 1xed h ASN 30 Cb 0.75 -0.02 -0.09 0.00 0.05 0.00 0.00 38.32 39.01 1xed h ASN 30 CO 0.16 0.05 0.33 -0.09 -1.65 0.00 0.00 177.43 176.23 1xed h ARG 31 N 0.09 0.48 0.00 0.81 9.65 -0.69 -3.06 114.38 121.66 1xed h ARG 31 Ca 0.16 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 58.94 1xed h ARG 31 Cb 0.51 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 1xed h ARG 31 CO -0.01 0.32 -1.92 0.72 2.80 0.00 0.00 179.97 181.87 1xed n HIS 32 N -4.96 0.00 -0.88 2.20 8.25 -0.88 -4.91 115.22 114.04 1xed n HIS 32 Ca 0.14 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.27 1xed n HIS 32 Cb 0.39 -0.51 0.11 0.00 1.12 0.00 0.00 29.99 31.10 1xed n HIS 32 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1xed n THR 33 N -2.25 0.30 -2.55 1.59 5.66 -0.21 -4.91 114.28 111.91 1xed n THR 33 Ca -0.08 -0.24 -0.38 0.00 -3.05 0.00 0.00 64.05 60.30 1xed n THR 33 Cb 0.60 -0.61 -0.04 0.00 -1.55 0.00 0.00 70.33 68.73 1xed n THR 33 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xed s ARG 34 N -3.41 4.34 -0.01 1.09 1.70 -1.26 -4.88 118.95 116.52 1xed s ARG 34 Ca 0.57 1.57 0.05 0.00 -0.47 0.00 0.00 55.73 57.46 1xed s ARG 34 Cb -0.23 -2.75 -0.03 0.00 -0.57 0.00 0.00 34.95 31.37 1xed s ARG 34 CO 0.67 0.00 -0.17 0.15 -1.08 0.00 0.00 175.30 174.87 1xed s LYS 35 N -2.16 2.29 0.07 3.89 -0.14 -1.26 -1.04 119.74 121.40 1xed s LYS 35 Ca 0.53 -0.83 -0.01 0.00 -1.36 0.00 0.00 55.97 54.30 1xed s LYS 35 Cb -0.24 -2.26 -0.04 0.00 -1.68 0.00 0.00 37.83 33.61 1xed s LYS 35 CO 0.31 0.58 -0.00 1.52 -0.76 0.00 0.00 175.35 177.00 1xed s TYR 36 N -0.79 0.56 -0.12 3.18 -0.85 -0.42 -0.91 117.35 118.00 1xed s TYR 36 Ca 0.13 -1.07 -0.02 0.00 -0.52 0.00 0.00 57.07 55.58 1xed s TYR 36 Cb -0.10 -0.39 0.04 0.00 0.38 0.00 0.00 41.96 41.89 1xed s TYR 36 CO 0.02 -0.42 0.02 -0.46 -1.52 0.00 0.00 175.55 173.20 1xed s TRP 37 N -3.94 0.75 0.17 -3.49 -0.11 -0.68 -1.76 118.94 109.89 1xed s TRP 37 Ca 0.10 -0.40 0.03 0.00 1.22 0.00 0.00 56.10 57.05 1xed s TRP 37 Cb 0.08 -0.87 -0.05 0.00 -1.50 0.00 0.00 33.47 31.13 1xed s TRP 37 CO -0.08 -0.43 -0.04 0.00 -4.62 0.00 0.00 176.95 171.78 1xed s ARG 39 N -3.84 3.88 -0.11 0.00 3.52 -0.45 -0.77 118.95 121.18 1xed s ARG 39 Ca 0.21 -0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 55.12 1xed s ARG 39 Cb 0.05 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.25 1xed s ARG 39 CO 0.03 0.22 1.25 -0.65 -0.81 0.00 0.00 175.30 175.35 1xed s GLN 40 N 0.48 4.28 0.44 5.12 -0.21 0.20 -0.97 119.66 129.00 1xed s GLN 40 Ca 0.02 1.69 -0.22 0.00 0.02 0.00 0.00 55.36 56.86 1xed s GLN 40 Cb -0.13 -3.68 -0.09 0.00 1.00 0.00 0.00 33.01 30.11 1xed s GLN 40 CO 0.01 -0.61 1.05 0.20 -2.12 0.00 0.00 175.29 173.83 1xed s GLY 41 N 1.81 2.65 0.65 3.09 0.00 0.02 -4.70 107.32 110.84 1xed s GLY 41 Ca 0.56 0.68 0.38 0.00 0.00 0.00 0.00 44.72 46.34 1xed s GLY 41 CO 0.18 1.07 2.18 0.00 0.00 0.00 0.00 173.10 176.53 1xed h ALA 42 N 2.11 1.12 0.00 3.20 0.00 -1.95 -3.31 119.26 120.42 1xed h ALA 42 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xed h ALA 42 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xed h ALA 42 CO 0.61 -0.12 -0.16 2.89 0.00 0.00 0.00 179.25 182.47 1xed n ARG 43 N -2.96 0.00 0.00 0.00 0.00 -1.26 -5.12 116.66 107.32 1xed n ARG 43 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 1xed n ARG 43 Cb 0.18 -0.14 0.00 0.00 -0.00 0.00 0.00 32.46 32.49 1xed n ARG 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xed n GLY 44 N 1.99 -2.82 0.00 2.89 0.00 -1.25 -5.06 105.19 100.94 1xed n GLY 44 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1xed n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xed n GLY 45 N 0.00 0.65 3.05 -0.02 0.00 -1.26 -4.12 105.19 103.48 1xed n GLY 45 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1xed n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xed s ILE 47 N 1.36 5.15 0.20 0.00 1.09 -0.14 -4.82 121.20 124.04 1xed s ILE 47 Ca 0.03 0.69 -0.32 0.00 -1.10 0.00 0.00 60.65 59.95 1xed s ILE 47 Cb -0.13 -3.74 -0.12 0.00 -1.06 0.00 0.00 42.46 37.40 1xed s ILE 47 CO -0.10 0.16 1.69 0.41 -0.10 0.00 0.00 174.94 177.00 1xed n THR 48 N 4.97 0.02 -0.07 2.92 -1.04 -1.26 -1.34 114.28 118.48 1xed n THR 48 Ca -0.07 -0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.87 1xed n THR 48 Cb 0.50 -1.89 -0.10 0.00 -1.82 0.00 0.00 70.33 67.02 1xed n THR 48 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1xed n LEU 49 N 3.83 0.20 -3.63 -4.42 4.77 0.22 -4.74 117.00 113.23 1xed n LEU 49 Ca 0.16 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1xed n LEU 49 Cb 0.34 0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.62 1xed n LEU 49 CO 0.64 0.35 0.56 -0.51 -1.33 0.00 0.00 177.39 177.09 1xed s ILE 50 N -2.31 0.00 0.14 -0.08 2.07 -1.14 -0.57 121.20 119.30 1xed s ILE 50 Ca -0.07 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.21 1xed s ILE 50 Cb 0.04 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.59 1xed s ILE 50 CO 0.52 0.00 -0.10 -0.94 -1.91 0.00 0.00 174.94 172.51 1xed s SER 51 N 0.32 1.73 0.41 4.50 1.04 -0.82 -1.68 113.70 119.20 1xed s SER 51 Ca 0.01 -0.98 0.13 0.00 0.48 0.00 0.00 55.95 55.59 1xed s SER 51 Cb -0.05 -0.01 0.87 0.00 0.10 0.00 0.00 66.02 66.94 1xed s SER 51 CO -0.02 -0.32 1.93 0.77 0.98 0.00 0.00 173.24 176.57 1xed h SER 52 N 2.92 0.04 0.52 7.02 4.64 -1.35 -2.85 113.55 124.49 1xed h SER 52 Ca -0.37 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1xed h SER 52 Cb 1.19 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1xed h SER 52 CO 0.62 0.28 0.00 -0.62 -0.87 0.00 0.00 176.83 176.24 1xed n GLU 53 N -4.25 0.24 0.00 4.77 1.02 -1.26 -4.89 120.64 116.27 1xed n GLU 53 Ca -0.02 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1xed n GLU 53 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1xed n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xed n GLY 54 N 0.70 1.31 3.77 0.62 0.00 -1.07 -5.12 105.19 105.39 1xed n GLY 54 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.52 3.03 -0.24 1.61 5.04 -1.26 -4.88 117.35 120.13 1xed s TYR 55 Ca 0.00 1.46 -0.03 0.00 -2.44 0.00 0.00 57.07 56.06 1xed s TYR 55 Cb 0.00 -3.61 0.12 0.00 0.35 0.00 0.00 41.96 38.83 1xed s TYR 55 CO 0.00 -1.75 0.33 0.08 -1.34 0.00 0.00 175.55 172.87 1xed s VAL 56 N -1.21 -0.51 0.62 3.14 1.01 -1.26 -1.95 120.40 120.24 1xed s VAL 56 Ca 0.52 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 62.20 1xed s VAL 56 Cb -0.37 -0.80 -0.06 0.00 0.00 0.00 0.00 36.38 35.15 1xed s VAL 56 CO 0.49 -0.18 0.62 -0.24 0.00 0.00 0.00 175.10 175.79 1xed n SER 57 N 5.35 -0.69 0.24 3.32 2.88 0.26 -4.57 113.62 120.41 1xed n SER 57 Ca -0.04 0.71 0.08 0.00 -1.33 0.00 0.00 58.87 58.29 1xed n SER 57 Cb 0.50 -1.23 0.61 0.00 -0.75 0.00 0.00 64.21 63.33 1xed n SER 57 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1xed h SER 58 N 0.11 0.00 -0.25 -3.46 4.64 -1.95 0.36 113.55 112.98 1xed h SER 58 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1xed h SER 58 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1xed h SER 58 CO 0.46 0.14 0.00 0.29 -0.87 0.00 0.00 176.83 176.85 1xed n LYS 59 N -4.13 1.60 0.00 4.77 4.01 -1.26 -3.54 118.16 119.61 1xed n LYS 59 Ca -0.02 -0.94 0.00 0.00 -0.51 0.00 0.00 58.31 56.84 1xed n LYS 59 Cb 0.22 -1.21 0.00 0.00 -0.51 0.00 0.00 35.03 33.52 1xed n LYS 59 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1xed n TYR 60 N 0.25 0.00 -1.67 2.13 0.53 -0.47 -4.98 117.16 112.95 1xed n TYR 60 Ca 0.09 0.00 -0.54 0.00 -1.02 0.00 0.00 57.90 56.43 1xed n TYR 60 Cb 0.22 0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 38.47 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 -0.89 -0.30 0.00 -0.72 0.00 0.11 -0.66 120.51 118.05 1xed n ALA 61 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1xed n ALA 61 Cb 0.07 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.31 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 3.60 2.31 0.00 0.00 0.00 -1.26 -4.80 105.19 105.03 1xed n GLY 62 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.00 1.28 -4.00 1.61 1.85 0.17 -5.05 116.66 110.51 1xed n ARG 63 Ca 0.00 -0.98 -0.09 0.00 -1.00 0.00 0.00 57.85 55.79 1xed n ARG 63 Cb 0.00 -0.89 -0.09 0.00 -1.05 0.00 0.00 32.46 30.44 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 -0.51 0.25 0.18 2.89 0.00 -1.01 0.08 121.76 123.64 1xed s ALA 64 Ca 0.00 -1.01 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 1xed s ALA 64 Cb 0.00 0.56 0.03 0.00 0.00 0.00 0.00 23.12 23.71 1xed s ALA 64 CO 0.00 -0.49 0.49 0.54 0.00 0.00 0.00 175.76 176.30 1xed s ASN 65 N -2.93 -0.25 -0.05 0.00 2.20 -0.43 -4.95 114.94 108.53 1xed s ASN 65 Ca 0.11 -0.47 -0.02 0.00 -0.94 0.00 0.00 52.86 51.55 1xed s ASN 65 Cb 0.06 0.55 0.03 0.00 -2.00 0.00 0.00 41.25 39.89 1xed s ASN 65 CO -0.06 -1.01 0.03 -0.22 -2.94 0.00 0.00 177.10 172.90 1xed s LEU 66 N -2.87 0.34 -0.03 3.54 0.20 -1.26 -1.06 118.68 117.55 1xed s LEU 66 Ca 0.09 0.01 0.05 0.00 0.69 0.00 0.00 54.13 54.97 1xed s LEU 66 Cb -0.00 -0.27 -0.03 0.00 -0.43 0.00 0.00 46.19 45.46 1xed s LEU 66 CO -0.04 -0.23 -0.18 -0.89 -0.29 0.00 0.00 176.35 174.73 1xed s THR 67 N 2.08 2.79 -0.11 3.68 2.01 -0.10 -4.92 115.64 121.06 1xed s THR 67 Ca 0.05 -0.89 -0.04 0.00 0.31 0.00 0.00 61.69 61.12 1xed s THR 67 Cb -0.12 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 1xed s THR 67 CO -0.04 0.54 0.03 0.21 -0.69 0.00 0.00 174.62 174.67 1xed s ASN 68 N -0.84 5.44 -0.59 3.53 3.04 -1.26 -0.19 114.94 124.07 1xed s ASN 68 Ca 0.12 0.16 0.05 0.00 0.04 0.00 0.00 52.86 53.24 1xed s ASN 68 Cb -0.10 -1.67 0.20 0.00 -1.54 0.00 0.00 41.25 38.14 1xed s ASN 68 CO 0.01 0.34 0.54 0.49 -3.04 0.00 0.00 177.10 175.43 1xed n PHE 69 N 2.44 2.11 -0.04 0.43 3.01 0.35 -4.96 117.46 120.79 1xed n PHE 69 Ca -0.18 -3.98 0.18 0.00 1.01 0.00 0.00 57.45 54.47 1xed n PHE 69 Cb 0.54 -0.40 0.62 0.00 -0.01 0.00 0.00 39.48 40.22 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 4.93 0.15 -0.60 -1.08 0.11 -1.91 0.11 132.00 133.71 1xed h PRO 70 Ca 0.18 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1xed h PRO 70 Cb 0.77 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 1xed h PRO 70 CO 0.65 0.10 0.30 0.93 -0.21 0.00 0.00 178.00 179.77 1xed h GLU 71 N 0.15 0.85 0.00 1.05 5.08 -1.93 -3.00 114.58 116.79 1xed h GLU 71 Ca 0.28 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1xed h GLU 71 Cb 0.89 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1xed h GLU 71 CO -0.04 0.67 -0.57 -0.91 -1.00 0.00 0.00 179.01 177.16 1xed h ASN 72 N 0.81 0.00 -3.56 1.42 2.35 -1.60 -3.48 115.58 111.52 1xed h ASN 72 Ca 0.21 -0.14 -0.16 0.00 -0.55 0.00 0.00 56.30 55.65 1xed h ASN 72 Cb 0.09 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.53 1xed h ASN 72 CO -0.03 0.07 -0.35 0.61 -1.65 0.00 0.00 177.43 176.09 1xed n GLY 73 N 1.29 0.13 3.39 2.83 0.00 0.25 -4.87 105.19 108.20 1xed n GLY 73 Ca 0.03 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.16 0.06 -0.02 2.61 -4.23 -0.80 -0.84 115.64 109.25 1xed s THR 74 Ca 0.08 -1.16 -0.08 0.00 -1.18 0.00 0.00 61.69 59.36 1xed s THR 74 Cb -0.04 -1.70 0.01 0.00 1.34 0.00 0.00 72.50 72.11 1xed s THR 74 CO 0.34 -0.27 0.18 0.72 -0.54 0.00 0.00 174.62 175.05 1xed s PHE 75 N -3.93 -0.07 -0.08 3.99 -0.71 -0.83 0.13 117.98 116.49 1xed s PHE 75 Ca 0.13 0.12 0.05 0.00 -1.04 0.00 0.00 56.93 56.19 1xed s PHE 75 Cb 0.02 0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.83 1xed s PHE 75 CO -0.02 -0.24 -0.23 0.08 -1.34 0.00 0.00 175.22 173.47 1xed s VAL 76 N -0.92 2.23 -0.25 -2.49 1.01 0.73 -1.77 120.40 118.94 1xed s VAL 76 Ca -0.10 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 1xed s VAL 76 Cb -0.05 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1xed s VAL 76 CO 0.01 0.56 0.02 -0.69 0.00 0.00 0.00 175.10 175.01 1xed s VAL 77 N -0.01 3.76 -0.18 2.92 1.01 -0.16 -0.93 120.40 126.82 1xed s VAL 77 Ca -0.08 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 1xed s VAL 77 Cb -0.15 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1xed s VAL 77 CO 0.05 0.28 0.02 0.20 0.00 0.00 0.00 175.10 175.66 1xed s ASN 78 N 1.51 5.28 -0.13 3.32 0.02 -0.23 -0.83 114.94 123.89 1xed s ASN 78 Ca 0.05 -0.02 -0.00 0.00 -1.02 0.00 0.00 52.86 51.87 1xed s ASN 78 Cb -0.15 -1.89 0.03 0.00 0.02 0.00 0.00 41.25 39.25 1xed s ASN 78 CO 0.00 0.16 -0.09 -0.63 0.02 0.00 0.00 177.10 176.56 1xed s ILE 79 N 0.43 1.17 0.57 0.60 1.01 -0.88 -1.31 121.20 122.79 1xed s ILE 79 Ca 0.00 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.33 1xed s ILE 79 Cb -0.13 -1.17 0.06 0.00 0.01 0.00 0.00 42.46 41.23 1xed s ILE 79 CO 0.01 0.37 0.56 0.00 0.00 0.00 0.00 174.94 175.89 1xed s ALA 80 N 1.65 4.58 -1.53 9.38 0.00 0.11 -2.04 121.76 133.92 1xed s ALA 80 Ca 0.05 -1.56 -0.02 0.00 0.00 0.00 0.00 51.96 50.43 1xed s ALA 80 Cb -0.13 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1xed s ALA 80 CO -0.09 -0.64 0.06 1.04 0.00 0.00 0.00 175.76 176.13 1xed n GLN 81 N -1.98 -1.03 -2.08 0.00 6.02 -1.22 -4.85 117.38 112.24 1xed n GLN 81 Ca 0.05 0.11 -0.40 0.00 -0.01 0.00 0.00 57.00 56.74 1xed n GLN 81 Cb 0.63 -3.58 -0.01 0.00 1.02 0.00 0.00 30.24 28.30 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 -7.37 4.34 0.30 1.08 1.43 -1.04 -4.73 118.68 112.69 1xed s LEU 82 Ca 0.02 2.69 0.09 0.00 -1.03 0.00 0.00 54.13 55.91 1xed s LEU 82 Cb -0.01 -3.74 -0.06 0.00 0.03 0.00 0.00 46.19 42.40 1xed s LEU 82 CO 0.99 -0.66 -0.11 -0.94 0.23 0.00 0.00 176.35 175.86 1xed s SER 83 N -0.56 3.31 0.51 2.29 1.04 -1.26 0.14 113.70 119.17 1xed s SER 83 Ca 0.52 -1.15 0.22 0.00 0.48 0.00 0.00 55.95 56.02 1xed s SER 83 Cb -0.39 -0.27 1.31 0.00 0.10 0.00 0.00 66.02 66.77 1xed s SER 83 CO 0.52 -0.20 2.00 -0.61 0.98 0.00 0.00 173.24 175.92 1xed h GLN 84 N 2.19 0.08 0.00 4.02 4.15 -1.91 0.36 115.11 124.00 1xed h GLN 84 Ca -0.41 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.01 1xed h GLN 84 Cb 1.24 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1xed h GLN 84 CO 0.67 0.06 0.08 -0.44 -1.93 0.00 0.00 178.83 177.26 1xed h ASP 85 N 0.09 0.00 1.02 -0.69 3.32 -1.94 -0.29 116.42 117.92 1xed h ASP 85 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1xed h ASP 85 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1xed h ASP 85 CO -0.02 0.00 -0.33 0.47 -1.72 0.00 0.00 179.24 177.63 1xed n ASP 86 N -2.41 0.62 -4.73 6.45 8.00 0.12 -4.86 116.55 119.74 1xed n ASP 86 Ca -0.02 0.26 -0.42 0.00 0.71 0.00 0.00 54.79 55.33 1xed n ASP 86 Cb 0.12 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 1xed n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1xed s SER 87 N -3.99 6.44 0.00 -2.24 0.01 -0.12 -4.81 113.70 108.98 1xed s SER 87 Ca 0.09 2.83 0.00 0.00 1.31 0.00 0.00 55.95 60.18 1xed s SER 87 Cb 0.14 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1xed s SER 87 CO 0.65 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1xed n GLY 88 N 3.25 -1.22 3.56 3.44 0.00 0.79 -4.99 105.19 110.01 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 -1.63 3.36 0.38 1.61 0.52 -1.26 -0.43 118.95 121.49 1xed s ARG 89 Ca 0.00 -0.49 0.05 0.00 -0.52 0.00 0.00 55.73 54.77 1xed s ARG 89 Cb 0.00 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.61 1xed s ARG 89 CO 0.00 0.43 0.18 0.71 0.02 0.00 0.00 175.30 176.65 1xed s TYR 90 N -0.15 1.76 -0.10 -0.53 1.51 0.10 -0.63 117.35 119.31 1xed s TYR 90 Ca 0.03 -1.43 -0.12 0.00 -1.01 0.00 0.00 57.07 54.54 1xed s TYR 90 Cb -0.13 -0.98 0.03 0.00 -0.11 0.00 0.00 41.96 40.77 1xed s TYR 90 CO 0.02 -0.52 0.31 0.15 -1.11 0.00 0.00 175.55 174.40 1xed s LYS 91 N -3.62 0.42 -0.05 -0.62 1.02 0.05 -0.51 119.74 116.43 1xed s LYS 91 Ca 0.30 0.32 0.05 0.00 0.02 0.00 0.00 55.97 56.65 1xed s LYS 91 Cb 0.02 0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 37.51 1xed s LYS 91 CO 0.19 -0.07 -0.18 0.00 -0.92 0.00 0.00 175.35 174.37 1xed n GLY 93 N 2.52 1.25 3.40 0.00 0.00 -0.72 -0.75 105.19 110.89 1xed n GLY 93 Ca -0.17 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 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 2.44 0.00 0.99 1.43 0.07 -1.31 118.68 122.31 1xed s LEU 94 Ca 0.11 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 1xed s LEU 94 Cb -0.03 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.14 1xed s LEU 94 CO 0.06 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.32 1xed n GLY 95 N 0.23 0.92 3.64 -3.19 0.00 -0.20 -4.50 105.19 102.08 1xed n GLY 95 Ca -0.12 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 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 5.06 0.09 -0.61 1.09 -1.26 -4.79 121.20 120.79 1xed s ILE 96 Ca 0.00 0.96 -0.10 0.00 -1.10 0.00 0.00 60.65 60.42 1xed s ILE 96 Cb 0.00 -3.86 0.05 0.00 -1.06 0.00 0.00 42.46 37.60 1xed s ILE 96 CO 0.00 0.11 0.68 0.59 -0.10 0.00 0.00 174.94 176.22 1xed n ASN 97 N 5.29 -0.35 0.19 3.58 4.13 -1.26 0.15 115.26 126.99 1xed n ASN 97 Ca -0.04 0.77 0.03 0.00 1.68 0.00 0.00 54.58 57.03 1xed n ASN 97 Cb 0.50 -0.15 0.39 0.00 -1.54 0.00 0.00 39.78 38.98 1xed n ASN 97 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1xed h SER 98 N 0.00 0.00 0.00 6.41 4.64 -1.93 -3.24 113.55 119.43 1xed h SER 98 Ca 0.12 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1xed h SER 98 Cb 0.23 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1xed h SER 98 CO -0.43 0.33 0.16 0.54 -0.87 0.00 0.00 176.83 176.56 1xed n ARG 99 N -4.14 0.00 -0.91 4.77 3.00 0.40 -4.75 116.66 115.03 1xed n ARG 99 Ca -0.02 0.11 0.00 0.00 -0.01 0.00 0.00 57.85 57.93 1xed n ARG 99 Cb 0.37 -1.66 0.00 0.00 0.00 0.00 0.00 32.46 31.17 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 -0.98 0.33 2.68 -0.13 0.00 -1.22 -4.90 105.19 100.97 1xed n GLY 100 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1xed n GLY 100 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xed n LEU 101 N 0.00 7.27 0.00 0.99 7.94 -1.26 -4.82 117.00 127.12 1xed n LEU 101 Ca 0.00 -4.54 -0.02 0.00 -1.11 0.00 0.00 56.01 50.33 1xed n LEU 101 Cb 0.16 -1.51 -0.01 0.00 0.53 0.00 0.00 43.42 42.60 1xed n LEU 101 CO 0.00 1.55 -0.01 -1.54 -1.11 0.00 0.00 177.39 176.28 1xed n SER 102 N 3.91 0.08 -3.70 1.96 3.41 -1.26 -0.75 113.62 117.27 1xed n SER 102 Ca 0.52 -1.27 -0.11 0.00 -0.26 0.00 0.00 58.87 57.76 1xed n SER 102 Cb 0.33 0.19 -0.12 0.00 -0.26 0.00 0.00 64.21 64.35 1xed n SER 102 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1xed s PHE 103 N -2.10 -0.53 -0.02 7.33 5.36 0.07 -4.45 117.98 123.64 1xed s PHE 103 Ca 0.05 1.14 -0.30 0.00 -0.96 0.00 0.00 56.93 56.85 1xed s PHE 103 Cb 0.00 0.19 -0.03 0.00 -0.34 0.00 0.00 43.02 42.84 1xed s PHE 103 CO 0.03 -0.32 1.12 -0.51 -1.46 0.00 0.00 175.22 174.08 1xed s ASP 104 N 1.46 7.16 -0.10 6.13 1.01 -1.26 -2.21 116.67 128.86 1xed s ASP 104 Ca -0.09 1.78 0.03 0.00 0.71 0.00 0.00 52.55 54.99 1xed s ASP 104 Cb -0.09 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.28 1xed s ASP 104 CO -0.11 -0.46 -0.20 -0.69 0.21 0.00 0.00 175.17 173.91 1xed s VAL 105 N 1.64 1.79 -0.26 -1.27 1.01 0.33 -4.50 120.40 119.14 1xed s VAL 105 Ca 0.54 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 1xed s VAL 105 Cb -0.24 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1xed s VAL 105 CO 0.24 0.50 0.13 -0.55 0.00 0.00 0.00 175.10 175.42 1xed s SER 106 N 0.57 5.66 -0.12 3.32 0.15 -0.59 0.02 113.70 122.72 1xed s SER 106 Ca -0.14 -0.06 -0.01 0.00 0.70 0.00 0.00 55.95 56.43 1xed s SER 106 Cb -0.17 -2.03 -0.02 0.00 -1.71 0.00 0.00 66.02 62.09 1xed s SER 106 CO 0.05 -0.01 -0.08 -0.22 1.20 0.00 0.00 173.24 174.18 1xed s LEU 107 N 1.51 3.05 -0.11 3.45 2.96 0.43 -0.27 118.68 129.69 1xed s LEU 107 Ca 0.06 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1xed s LEU 107 Cb -0.15 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 44.87 1xed s LEU 107 CO 0.07 0.22 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.55 1xed s GLU 108 N 0.04 1.44 -0.18 1.98 2.56 -0.06 -0.15 118.70 124.32 1xed s GLU 108 Ca -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 54.97 54.70 1xed s GLU 108 Cb -0.14 -1.56 -0.00 0.00 2.00 0.00 0.00 34.13 34.43 1xed s GLU 108 CO 0.03 -0.28 -0.10 0.08 -0.56 0.00 0.00 175.26 174.43 1xed s VAL 109 N 1.73 3.01 0.13 3.70 1.01 -1.26 -0.69 120.40 128.02 1xed s VAL 109 Ca 0.05 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 1xed s VAL 109 Cb -0.13 -2.32 -0.07 0.00 0.00 0.00 0.00 36.38 33.86 1xed s VAL 109 CO -0.08 0.48 0.56 -0.76 0.00 0.00 0.00 175.10 175.30 1xed s LEU 110 N 1.10 4.40 0.40 3.92 1.43 -0.91 -4.60 118.68 124.43 1xed s LEU 110 Ca 0.01 1.15 -0.27 0.00 -1.03 0.00 0.00 54.13 53.99 1xed s LEU 110 Cb -0.14 -3.16 -0.09 0.00 0.03 0.00 0.00 46.19 42.82 1xed s LEU 110 CO -0.03 0.16 1.38 -1.61 0.23 0.00 0.00 176.35 176.48 1xed s GLU 111 N -1.68 3.97 0.00 1.70 2.02 -1.26 -0.52 118.70 122.92 1xed s GLU 111 Ca 0.35 2.33 0.19 0.00 0.02 0.00 0.00 54.97 57.86 1xed s GLU 111 Cb -0.16 -2.81 1.15 0.00 0.10 0.00 0.00 34.13 32.40 1xed s GLU 111 CO 0.19 -0.56 1.54 1.58 0.02 0.00 0.00 175.26 178.03