#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrg n GLN -10 N 0.00 1.84 -2.43 -1.46 0.00 -1.26 -5.00 117.38 109.07 1xrg n GLN -10 Ca 0.00 -1.77 -0.40 0.00 0.00 0.00 0.00 57.00 54.83 1xrg n GLN -10 Cb 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 30.24 28.82 1xrg n GLN -10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1xrg s SER -9 N -1.50 7.21 -0.24 2.61 0.15 -1.26 -4.93 113.70 115.74 1xrg s SER -9 Ca 0.25 2.32 0.11 0.00 0.70 0.00 0.00 55.95 59.34 1xrg s SER -9 Cb 0.17 -2.63 0.45 0.00 -1.71 0.00 0.00 66.02 62.30 1xrg s SER -9 CO 0.24 -0.19 1.33 0.35 1.20 0.00 0.00 173.24 176.18 1xrg n THR -8 N 1.14 2.34 0.06 6.45 -2.24 -1.26 -4.76 114.28 116.01 1xrg n THR -8 Ca -0.01 -2.85 -0.09 0.00 -2.27 0.00 0.00 64.05 58.83 1xrg n THR -8 Cb 0.44 -0.28 -0.13 0.00 -2.10 0.00 0.00 70.33 68.27 1xrg n THR -8 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xrg h SER -7 N 0.96 0.09 -3.32 3.42 0.02 -1.94 -3.43 113.55 109.35 1xrg h SER -7 Ca 0.10 -0.10 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1xrg h SER -7 Cb 1.32 -0.03 0.05 0.00 0.14 0.00 0.00 62.40 63.89 1xrg h SER -7 CO 0.19 1.08 0.77 -0.76 -1.14 0.00 0.00 176.83 176.96 1xrg s LEU -6 N -6.72 4.38 0.21 5.07 1.43 -1.26 -5.03 118.68 116.77 1xrg s LEU -6 Ca -0.01 2.65 0.02 0.00 -1.03 0.00 0.00 54.13 55.76 1xrg s LEU -6 Cb 0.09 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.64 1xrg s LEU -6 CO 0.83 -0.71 0.03 -0.72 0.23 0.00 0.00 176.35 176.01 1xrg s TYR -5 N 0.13 1.37 0.02 0.29 -0.85 -1.26 -4.18 117.35 112.87 1xrg s TYR -5 Ca 0.60 -1.04 0.04 0.00 -0.52 0.00 0.00 57.07 56.15 1xrg s TYR -5 Cb -0.42 -0.79 -0.03 0.00 0.38 0.00 0.00 41.96 41.10 1xrg s TYR -5 CO 0.42 -0.21 -0.07 0.15 -1.52 0.00 0.00 175.55 174.32 1xrg s LYS -4 N -3.93 2.52 -0.09 -3.49 -0.14 -0.45 -4.97 119.74 109.18 1xrg s LYS -4 Ca 0.28 -0.75 0.01 0.00 -1.36 0.00 0.00 55.97 54.15 1xrg s LYS -4 Cb 0.06 -2.49 -0.02 0.00 -1.68 0.00 0.00 37.83 33.71 1xrg s LYS -4 CO 0.07 0.59 -0.12 0.21 -0.76 0.00 0.00 175.35 175.35 1xrg s LYS -3 N -1.52 3.00 -0.39 1.68 2.20 -1.26 -0.48 119.74 122.97 1xrg s LYS -3 Ca 0.18 -0.66 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 1xrg s LYS -3 Cb -0.11 -2.56 0.13 0.00 -1.51 0.00 0.00 37.83 33.78 1xrg s LYS -3 CO 0.08 0.43 0.20 0.00 -0.36 0.00 0.00 175.35 175.70 1xrg s ALA -2 N -0.21 1.67 0.00 3.13 0.00 -1.26 -4.99 121.76 120.10 1xrg s ALA -2 Ca 0.01 -2.17 0.00 0.00 0.00 0.00 0.00 51.96 49.80 1xrg s ALA -2 Cb -0.13 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1xrg s ALA -2 CO 0.03 -1.98 0.00 0.41 0.00 0.00 0.00 175.76 174.22 1xrg n GLY -1 N 4.00 3.39 2.59 0.00 0.00 -1.26 -4.68 105.19 109.23 1xrg n GLY -1 Ca 0.07 0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 1xrg n GLY -1 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1xrg n LEU 0 N 0.00 7.16 -3.63 0.99 -0.00 -1.26 -5.19 117.00 115.07 1xrg n LEU 0 Ca 0.00 -4.57 -0.04 0.00 -0.00 0.00 0.00 56.01 51.40 1xrg n LEU 0 Cb 0.00 -1.22 -0.05 0.00 -0.00 0.00 0.00 43.42 42.14 1xrg n LEU 0 CO 0.00 1.85 1.05 -0.31 -0.00 0.00 0.00 177.39 179.98 1xrg s TYR 2 N -2.36 -0.15 -0.28 1.47 2.02 -1.26 -5.07 117.35 111.71 1xrg s TYR 2 Ca 0.54 0.30 -0.09 0.00 -0.37 0.00 0.00 57.07 57.44 1xrg s TYR 2 Cb 0.33 0.47 -0.03 0.00 -0.40 0.00 0.00 41.96 42.33 1xrg s TYR 2 CO -0.22 -0.11 0.14 0.42 -1.57 0.00 0.00 175.55 174.21 1xrg s ILE 3 N -0.60 4.75 0.01 2.71 1.01 0.37 -4.08 121.20 125.37 1xrg s ILE 3 Ca 0.06 -0.15 0.08 0.00 0.00 0.00 0.00 60.65 60.63 1xrg s ILE 3 Cb -0.02 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 1xrg s ILE 3 CO -0.08 0.21 -0.24 -1.61 0.00 0.00 0.00 174.94 173.22 1xrg s GLU 4 N 1.66 2.02 0.23 2.79 2.02 0.16 -1.34 118.70 126.24 1xrg s GLU 4 Ca 0.06 -0.99 -0.17 0.00 0.02 0.00 0.00 54.97 53.90 1xrg s GLU 4 Cb -0.16 -2.07 -0.08 0.00 0.10 0.00 0.00 34.13 31.91 1xrg s GLU 4 CO 0.07 0.54 0.68 0.54 0.02 0.00 0.00 175.26 177.11 1xrg s VAL 5 N -0.76 4.68 -0.14 2.63 0.11 -1.26 0.06 120.40 125.73 1xrg s VAL 5 Ca 0.12 1.04 -0.02 0.00 -2.93 0.00 0.00 61.98 60.19 1xrg s VAL 5 Cb -0.10 -3.75 -0.02 0.00 -1.53 0.00 0.00 36.38 30.98 1xrg s VAL 5 CO 0.01 0.09 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.11 1xrg s VAL 6 N -1.66 3.54 -0.01 2.04 1.01 -0.55 -4.85 120.40 119.91 1xrg s VAL 6 Ca 0.45 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1xrg s VAL 6 Cb -0.14 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.74 1xrg s VAL 6 CO 0.20 0.52 0.01 -0.54 0.00 0.00 0.00 175.10 175.29 1xrg s LYS 7 N 0.23 0.05 -0.14 2.72 1.02 -1.26 -3.92 119.74 118.44 1xrg s LYS 7 Ca -0.05 0.10 -0.13 0.00 0.02 0.00 0.00 55.97 55.91 1xrg s LYS 7 Cb -0.15 -0.22 0.04 0.00 -0.52 0.00 0.00 37.83 36.98 1xrg s LYS 7 CO 0.04 -0.10 0.38 -0.08 -0.92 0.00 0.00 175.35 174.66 1xrg s THR 8 N 0.70 -0.00 -2.11 2.17 -1.32 -1.26 -4.98 115.64 108.84 1xrg s THR 8 Ca -0.06 0.01 0.26 0.00 -1.21 0.00 0.00 61.69 60.69 1xrg s THR 8 Cb -0.09 -0.53 0.70 0.00 -1.51 0.00 0.00 72.50 71.07 1xrg s THR 8 CO -0.02 0.00 1.94 -0.46 -2.21 0.00 0.00 174.62 173.87 1xrg n ASN 9 N 2.96 0.40 -0.02 8.08 0.23 -1.26 -3.18 115.26 122.47 1xrg n ASN 9 Ca -0.14 -1.27 0.15 0.00 -0.53 0.00 0.00 54.58 52.79 1xrg n ASN 9 Cb 0.57 -0.01 0.80 0.00 -2.08 0.00 0.00 39.78 39.07 1xrg n ASN 9 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xrg n LYS 10 N -0.62 0.68 -4.28 -3.83 5.02 -1.26 -4.85 118.16 109.02 1xrg n LYS 10 Ca 0.20 -0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.28 1xrg n LYS 10 Cb 0.16 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.57 1xrg n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xrg s ALA 11 N -2.35 1.58 0.34 7.82 0.00 -1.19 -4.83 121.76 123.12 1xrg s ALA 11 Ca 0.36 -1.61 -0.28 0.00 0.00 0.00 0.00 51.96 50.42 1xrg s ALA 11 Cb 0.21 0.28 -0.12 0.00 0.00 0.00 0.00 23.12 23.49 1xrg s ALA 11 CO 0.43 -0.18 1.28 -2.30 0.00 0.00 0.00 175.76 174.99 1xrg n PRO 12 N -0.29 2.09 -2.14 0.00 -0.02 -1.26 -4.83 135.00 128.54 1xrg n PRO 12 Ca -0.08 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.73 1xrg n PRO 12 Cb 0.62 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 1xrg n PRO 12 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1xrg s GLU 13 N -1.81 4.36 -0.53 -0.52 2.12 -1.26 -4.94 118.70 116.12 1xrg s GLU 13 Ca 0.56 2.16 -0.28 0.00 0.36 0.00 0.00 54.97 57.77 1xrg s GLU 13 Cb -0.58 -3.13 0.01 0.00 0.26 0.00 0.00 34.13 30.69 1xrg s GLU 13 CO 0.62 -0.25 1.39 0.00 -0.54 0.00 0.00 175.26 176.48 1xrg s ALA 14 N -0.36 2.87 -0.19 6.30 0.00 -1.26 -4.99 121.76 124.14 1xrg s ALA 14 Ca 0.54 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 1xrg s ALA 14 Cb -0.39 -4.06 -0.01 0.00 0.00 0.00 0.00 23.12 18.66 1xrg s ALA 14 CO 0.44 -2.80 -0.09 0.42 0.00 0.00 0.00 175.76 173.73 1xrg s ILE 15 N 5.85 3.12 0.00 0.00 1.01 -1.26 -4.92 121.20 124.99 1xrg s ILE 15 Ca 0.53 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.59 1xrg s ILE 15 Cb -0.11 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 39.98 1xrg s ILE 15 CO 0.27 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.28 1xrg n GLY 16 N 4.42 -1.19 2.32 6.18 0.00 -1.26 -4.83 105.19 110.84 1xrg n GLY 16 Ca -0.19 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.41 1xrg n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xrg n PRO 17 N 0.00 3.38 -3.87 1.61 -0.04 -1.26 -4.84 135.00 129.98 1xrg n PRO 17 Ca 0.00 -2.33 -0.09 0.00 -0.04 0.00 0.00 63.50 61.03 1xrg n PRO 17 Cb 0.00 -2.47 -0.05 0.00 -0.04 0.00 0.00 33.50 30.94 1xrg n PRO 17 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1xrg s TYR 18 N 0.29 0.14 0.15 0.54 -0.85 -1.26 -5.18 117.35 111.18 1xrg s TYR 18 Ca 0.63 -0.50 0.11 0.00 -0.52 0.00 0.00 57.07 56.79 1xrg s TYR 18 Cb 0.25 0.25 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 1xrg s TYR 18 CO -0.09 -0.92 -0.25 -1.12 -1.52 0.00 0.00 175.55 171.66 1xrg s SER 19 N -2.94 3.24 0.17 -0.18 0.01 -1.26 -4.74 113.70 108.00 1xrg s SER 19 Ca 0.15 -0.79 -0.15 0.00 1.31 0.00 0.00 55.95 56.48 1xrg s SER 19 Cb -0.00 -0.22 0.13 0.00 0.21 0.00 0.00 66.02 66.14 1xrg s SER 19 CO 0.02 0.14 1.70 1.56 0.41 0.00 0.00 173.24 177.07 1xrg h GLN 20 N 3.66 0.14 -3.63 12.44 4.20 -1.94 -3.37 115.11 126.61 1xrg h GLN 20 Ca -0.49 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.16 1xrg h GLN 20 Cb 1.18 -0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.83 1xrg h GLN 20 CO 0.42 0.09 -0.13 0.00 -0.67 0.00 0.00 178.83 178.55 1xrg s ALA 21 N -6.17 -0.33 -0.03 3.87 0.00 -1.25 -0.17 121.76 117.68 1xrg s ALA 21 Ca -0.13 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.12 1xrg s ALA 21 Cb 0.14 0.98 -0.00 0.00 0.00 0.00 0.00 23.12 24.24 1xrg s ALA 21 CO 0.72 -0.80 -0.14 0.42 0.00 0.00 0.00 175.76 175.96 1xrg s ILE 22 N -3.98 1.14 -0.18 0.00 -1.09 -0.06 -1.48 121.20 115.55 1xrg s ILE 22 Ca 0.19 -0.58 -0.04 0.00 -2.23 0.00 0.00 60.65 57.98 1xrg s ILE 22 Cb 0.00 -0.98 -0.02 0.00 -1.58 0.00 0.00 42.46 39.88 1xrg s ILE 22 CO 0.05 0.33 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.38 1xrg s VAL 23 N -0.06 3.87 -0.05 2.92 1.01 0.11 -1.16 120.40 127.05 1xrg s VAL 23 Ca -0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1xrg s VAL 23 Cb -0.08 -2.73 0.04 0.00 0.00 0.00 0.00 36.38 33.60 1xrg s VAL 23 CO 0.01 0.45 0.09 0.28 0.00 0.00 0.00 175.10 175.93 1xrg s THR 24 N 0.79 -0.13 0.00 3.92 -1.32 -0.50 -0.66 115.64 117.74 1xrg s THR 24 Ca -0.00 0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.80 1xrg s THR 24 Cb -0.14 -0.18 0.00 0.00 -1.51 0.00 0.00 72.50 70.66 1xrg s THR 24 CO 0.02 0.13 0.00 0.61 -2.21 0.00 0.00 174.62 173.17 1xrg n GLY 25 N 4.87 3.82 1.56 6.08 0.00 -1.26 -1.20 105.19 119.05 1xrg n GLY 25 Ca -0.13 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1xrg n GLY 25 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xrg n SER 26 N 6.05 4.94 -4.53 1.61 7.64 -1.26 -4.95 113.62 123.13 1xrg n SER 26 Ca 0.00 -2.71 -0.31 0.00 1.01 0.00 0.00 58.87 56.85 1xrg n SER 26 Cb 0.00 -0.60 -0.11 0.00 -1.01 0.00 0.00 64.21 62.49 1xrg n SER 26 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1xrg s PHE 27 N -2.34 2.72 -0.14 1.43 0.08 -0.34 -1.17 117.98 118.21 1xrg s PHE 27 Ca 0.50 -0.15 0.02 0.00 0.12 0.00 0.00 56.93 57.42 1xrg s PHE 27 Cb 0.36 -1.53 0.01 0.00 -0.57 0.00 0.00 43.02 41.29 1xrg s PHE 27 CO 0.18 0.32 -0.21 0.08 -0.10 0.00 0.00 175.22 175.50 1xrg s VAL 28 N -0.98 2.20 -0.27 -0.44 1.01 0.76 -1.41 120.40 121.27 1xrg s VAL 28 Ca 0.16 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1xrg s VAL 28 Cb -0.11 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1xrg s VAL 28 CO 0.07 0.54 0.06 -0.31 0.00 0.00 0.00 175.10 175.46 1xrg s TYR 29 N 0.81 3.09 0.25 5.22 2.02 -0.30 -0.47 117.35 127.96 1xrg s TYR 29 Ca -0.07 -0.78 -0.06 0.00 -0.37 0.00 0.00 57.07 55.79 1xrg s TYR 29 Cb -0.15 -2.22 -0.06 0.00 -0.40 0.00 0.00 41.96 39.12 1xrg s TYR 29 CO -0.01 -0.50 0.52 0.95 -1.57 0.00 0.00 175.55 174.94 1xrg s THR 30 N 1.54 5.02 0.98 -0.71 -4.23 -0.58 -0.88 115.64 116.77 1xrg s THR 30 Ca 0.04 0.16 -0.12 0.00 -1.18 0.00 0.00 61.69 60.60 1xrg s THR 30 Cb -0.16 -3.68 0.18 0.00 1.34 0.00 0.00 72.50 70.17 1xrg s THR 30 CO 0.02 -0.19 1.08 -0.44 -0.54 0.00 0.00 174.62 174.55 1xrg s SER 31 N -2.82 2.68 -0.31 3.99 0.01 0.75 -4.36 113.70 113.64 1xrg s SER 31 Ca 0.44 1.57 -0.29 0.00 1.31 0.00 0.00 55.95 58.98 1xrg s SER 31 Cb -0.11 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 1xrg s SER 31 CO 0.27 -3.15 1.76 -0.83 0.41 0.00 0.00 173.24 171.69 1xrg s GLY 32 N -3.09 0.88 0.23 3.44 0.00 -1.26 -4.39 107.32 103.12 1xrg s GLY 32 Ca 0.65 0.29 -0.30 0.00 0.00 0.00 0.00 44.72 45.37 1xrg s GLY 32 CO 0.59 3.21 1.01 1.20 0.00 0.00 0.00 173.10 179.10 1xrg s GLN 33 N 5.45 4.74 0.20 2.90 -1.52 0.97 -4.76 119.66 127.64 1xrg s GLN 33 Ca 0.78 1.60 0.10 0.00 -1.95 0.00 0.00 55.36 55.89 1xrg s GLN 33 Cb -0.23 -3.27 -0.04 0.00 -0.22 0.00 0.00 33.01 29.25 1xrg s GLN 33 CO 0.33 0.34 -0.21 0.96 -0.25 0.00 0.00 175.29 176.46 1xrg s ILE 34 N -0.89 2.17 -0.38 1.08 -4.36 -1.26 -1.43 121.20 116.12 1xrg s ILE 34 Ca 0.44 -2.05 -0.06 0.00 -0.26 0.00 0.00 60.65 58.72 1xrg s ILE 34 Cb -0.28 -2.05 -0.19 0.00 1.25 0.00 0.00 42.46 41.20 1xrg s ILE 34 CO 0.35 -0.23 3.03 -0.81 0.24 0.00 0.00 174.94 177.51 1xrg n PRO 35 N 0.14 2.10 -3.00 0.37 -0.04 -1.26 -4.50 135.00 128.82 1xrg n PRO 35 Ca -0.12 -1.15 -0.40 0.00 -0.04 0.00 0.00 63.50 61.79 1xrg n PRO 35 Cb 0.57 -2.13 -0.05 0.00 -0.04 0.00 0.00 33.50 31.85 1xrg n PRO 35 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xrg s ILE 36 N 1.66 4.78 -0.18 0.52 -1.09 -1.26 -1.13 121.20 124.49 1xrg s ILE 36 Ca 0.58 1.60 -0.29 0.00 -2.23 0.00 0.00 60.65 60.30 1xrg s ILE 36 Cb 0.24 -4.10 -0.01 0.00 -1.58 0.00 0.00 42.46 37.01 1xrg s ILE 36 CO -0.01 0.35 1.19 0.21 -1.23 0.00 0.00 174.94 175.45 1xrg s ASN 37 N 0.04 6.99 0.61 3.58 2.47 -0.12 -4.68 114.94 123.83 1xrg s ASN 37 Ca 0.38 1.60 0.36 0.00 0.42 0.00 0.00 52.86 55.62 1xrg s ASN 37 Cb -0.20 -2.54 1.99 0.00 -1.45 0.00 0.00 41.25 39.05 1xrg s ASN 37 CO 0.22 -0.73 2.26 1.55 -3.72 0.00 0.00 177.10 176.68 1xrg h PRO 38 N 7.97 0.00 0.28 0.43 0.13 -1.88 0.14 132.00 139.07 1xrg h PRO 38 Ca -0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1xrg h PRO 38 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1xrg h PRO 38 CO 0.97 0.02 -0.14 1.96 -0.23 0.00 0.00 178.00 180.59 1xrg h GLN 39 N 0.00 -0.36 0.00 0.86 4.20 -1.90 -3.37 115.11 114.53 1xrg h GLN 39 Ca -0.00 0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.59 1xrg h GLN 39 Cb 0.10 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1xrg h GLN 39 CO 0.00 -0.03 -0.84 1.79 -0.67 0.00 0.00 178.83 179.08 1xrg h THR 40 N -0.93 0.93 0.00 -0.54 1.35 -1.92 -3.48 112.91 108.32 1xrg h THR 40 Ca -0.04 -2.39 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 1xrg h THR 40 Cb 0.50 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1xrg h THR 40 CO 0.06 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 1xrg n GLY 41 N 1.30 0.39 3.59 5.82 0.00 0.47 -5.02 105.19 111.74 1xrg n GLY 41 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1xrg n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xrg s GLU 42 N -0.47 2.07 0.29 1.61 0.41 -1.25 -4.86 118.70 116.49 1xrg s GLU 42 Ca 0.00 -1.58 -0.30 0.00 -0.41 0.00 0.00 54.97 52.68 1xrg s GLU 42 Cb 0.00 -2.00 -0.11 0.00 -1.78 0.00 0.00 34.13 30.23 1xrg s GLU 42 CO 0.00 0.32 1.61 0.08 -0.49 0.00 0.00 175.26 176.78 1xrg s VAL 43 N -2.41 2.05 0.65 2.63 1.01 -1.26 -0.94 120.40 122.13 1xrg s VAL 43 Ca 0.31 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 1xrg s VAL 43 Cb -0.05 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1xrg s VAL 43 CO 0.18 0.01 1.29 0.68 0.00 0.00 0.00 175.10 177.26 1xrg s VAL 44 N 0.07 2.04 0.75 2.92 -7.23 -0.28 -4.82 120.40 113.85 1xrg s VAL 44 Ca 0.64 0.02 -0.12 0.00 -1.81 0.00 0.00 61.98 60.72 1xrg s VAL 44 Cb -0.48 -2.99 0.05 0.00 0.56 0.00 0.00 36.38 33.51 1xrg s VAL 44 CO 0.47 -0.01 1.11 -1.81 -0.31 0.00 0.00 175.10 174.55 1xrg s ASP 45 N -1.41 4.53 0.00 4.85 1.11 -1.26 -4.87 116.67 119.62 1xrg s ASP 45 Ca 0.82 1.92 0.00 0.00 0.18 0.00 0.00 52.55 55.48 1xrg s ASP 45 Cb -0.37 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.08 1xrg s ASP 45 CO 0.40 -2.02 0.00 0.61 1.18 0.00 0.00 175.17 175.34 1xrg n GLY 46 N -0.85 -0.45 0.00 0.21 0.00 -1.26 -4.80 105.19 98.05 1xrg n GLY 46 Ca 0.10 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1xrg n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xrg n GLY 47 N 0.00 6.06 0.32 -0.02 0.00 -1.26 -4.94 105.19 105.35 1xrg n GLY 47 Ca 0.00 -1.88 -0.03 0.00 0.00 0.00 0.00 46.02 44.12 1xrg n GLY 47 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xrg h ILE 48 N 0.00 1.23 -0.67 -0.61 6.09 -1.98 -0.39 117.51 121.18 1xrg h ILE 48 Ca 0.00 -0.71 0.00 0.00 -1.37 0.00 0.00 64.86 62.78 1xrg h ILE 48 Cb 0.00 0.43 -0.03 0.00 0.47 0.00 0.00 36.82 37.69 1xrg h ILE 48 CO 0.00 0.29 0.43 -0.08 -3.07 0.00 0.00 178.15 175.72 1xrg h GLU 49 N 0.96 0.89 -0.28 2.19 4.81 -1.96 0.11 114.58 121.30 1xrg h GLU 49 Ca 0.22 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.21 1xrg h GLU 49 Cb 0.18 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1xrg h GLU 49 CO -0.02 0.61 -0.54 0.93 -0.73 0.00 0.00 179.01 179.26 1xrg h GLU 50 N 0.91 0.83 -0.42 1.92 3.07 -1.77 -1.64 114.58 117.48 1xrg h GLU 50 Ca 0.24 -0.52 -0.13 0.00 -0.50 0.00 0.00 59.36 58.45 1xrg h GLU 50 Cb -0.07 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 1xrg h GLU 50 CO -0.05 1.15 -0.24 1.96 -1.40 0.00 0.00 179.01 180.43 1xrg h GLN 51 N 0.64 0.90 0.15 2.33 4.20 -0.82 -1.62 115.11 120.90 1xrg h GLN 51 Ca 0.02 -0.41 0.01 0.00 0.06 0.00 0.00 58.65 58.32 1xrg h GLN 51 Cb 1.14 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 1xrg h GLN 51 CO 0.12 1.06 -0.17 0.00 -0.67 0.00 0.00 178.83 179.17 1xrg h ALA 52 N 0.82 -0.32 -0.22 3.87 0.00 -0.70 -0.35 119.26 122.36 1xrg h ALA 52 Ca 0.09 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1xrg h ALA 52 Cb 0.81 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 1xrg h ALA 52 CO 0.07 -0.71 -0.27 -0.22 0.00 0.00 0.00 179.25 178.12 1xrg h LYS 53 N -0.36 -0.28 -0.52 0.00 3.64 -1.23 -1.62 116.57 116.20 1xrg h LYS 53 Ca 0.01 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1xrg h LYS 53 Cb 0.34 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1xrg h LYS 53 CO -0.05 -0.19 0.32 0.37 -2.27 0.00 0.00 179.45 177.63 1xrg h GLN 54 N -0.29 0.63 -0.69 1.90 5.75 -1.02 -0.21 115.11 121.17 1xrg h GLN 54 Ca 0.13 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.66 1xrg h GLN 54 Cb 0.49 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 28.84 1xrg h GLN 54 CO -0.38 0.42 0.38 0.28 -2.65 0.00 0.00 178.83 176.87 1xrg h VAL 55 N 0.65 0.94 0.00 2.39 2.07 -0.90 -0.44 116.25 120.96 1xrg h VAL 55 Ca 0.20 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.36 1xrg h VAL 55 Cb -0.01 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1xrg h VAL 55 CO -0.08 0.13 -0.62 -0.07 0.02 0.00 0.00 177.57 176.95 1xrg h LEU 56 N 0.69 0.00 -0.29 2.57 3.38 -0.76 -1.07 115.31 119.83 1xrg h LEU 56 Ca 0.32 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.19 1xrg h LEU 56 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1xrg h LEU 56 CO -0.20 0.62 -0.22 -0.33 0.09 0.00 0.00 178.44 178.40 1xrg h GLU 57 N 0.00 0.66 -0.57 1.13 4.39 -0.87 -0.97 114.58 118.35 1xrg h GLU 57 Ca -0.01 -0.32 0.03 0.00 0.34 0.00 0.00 59.36 59.40 1xrg h GLU 57 Cb 1.29 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.90 1xrg h GLU 57 CO 0.08 0.92 0.35 -0.91 -1.16 0.00 0.00 179.01 178.29 1xrg h ASN 58 N 0.40 0.57 -0.29 1.42 2.35 -0.83 -1.64 115.58 117.56 1xrg h ASN 58 Ca 0.05 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1xrg h ASN 58 Cb 0.77 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 1xrg h ASN 58 CO 0.06 0.40 0.03 0.25 -1.65 0.00 0.00 177.43 176.52 1xrg h LEU 59 N 0.69 0.47 -0.57 1.61 5.85 -1.18 -1.17 115.31 121.01 1xrg h LEU 59 Ca 0.23 -0.28 0.09 0.00 0.84 0.00 0.00 57.88 58.76 1xrg h LEU 59 Cb 0.02 -0.13 -0.11 0.00 0.37 0.00 0.00 40.66 40.82 1xrg h LEU 59 CO -0.10 0.63 -0.43 0.50 -0.34 0.00 0.00 178.44 178.71 1xrg h LYS 60 N 0.30 -0.22 -0.20 1.25 3.64 -1.02 -0.63 116.57 119.69 1xrg h LYS 60 Ca 0.09 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 1xrg h LYS 60 Cb 0.37 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1xrg h LYS 60 CO 0.01 -0.15 -0.45 -0.91 -2.27 0.00 0.00 179.45 175.68 1xrg h ASN 61 N -0.23 0.53 0.16 4.20 2.35 -1.12 -0.38 115.58 121.09 1xrg h ASN 61 Ca 0.18 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1xrg h ASN 61 Cb 0.56 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1xrg h ASN 61 CO -0.68 0.91 -0.08 0.58 -1.65 0.00 0.00 177.43 176.51 1xrg h VAL 62 N 0.40 0.89 -0.45 2.81 2.07 -1.06 -1.52 116.25 119.38 1xrg h VAL 62 Ca 0.03 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.37 1xrg h VAL 62 Cb 0.95 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 1xrg h VAL 62 CO 0.08 0.05 0.23 -0.07 0.02 0.00 0.00 177.57 177.88 1xrg h LEU 63 N -0.32 0.33 -0.69 2.57 3.38 -0.84 -2.49 115.31 117.25 1xrg h LEU 63 Ca -0.02 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1xrg h LEU 63 Cb 0.25 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1xrg h LEU 63 CO 0.04 0.24 0.16 -0.33 0.09 0.00 0.00 178.44 178.63 1xrg h GLU 64 N 0.45 1.11 -0.07 1.13 5.08 -1.07 -0.15 114.58 121.07 1xrg h GLU 64 Ca 0.19 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1xrg h GLU 64 Cb 0.10 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1xrg h GLU 64 CO -0.13 0.99 0.09 0.00 -1.00 0.00 0.00 179.01 178.96 1xrg h ALA 65 N 1.07 1.56 -0.01 3.43 0.00 -0.90 -1.02 119.26 123.40 1xrg h ALA 65 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1xrg h ALA 65 Cb 0.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xrg h ALA 65 CO 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 179.25 179.07 1xrg n ALA 66 N -2.28 2.71 -1.02 0.00 0.00 -0.52 -4.85 120.51 114.55 1xrg n ALA 66 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 53.44 53.13 1xrg n ALA 66 Cb 0.18 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.30 1xrg n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xrg n GLY 67 N 1.19 0.48 0.00 0.00 0.00 -0.39 -4.99 105.19 101.48 1xrg n GLY 67 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1xrg n GLY 67 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xrg n SER 68 N 0.56 0.89 -3.29 1.61 2.88 -0.18 -4.85 113.62 111.25 1xrg n SER 68 Ca -0.01 -0.11 -0.04 0.00 -1.33 0.00 0.00 58.87 57.38 1xrg n SER 68 Cb 0.04 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.52 1xrg n SER 68 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1xrg s SER 69 N -0.21 -0.01 0.33 -3.46 1.04 -1.26 -3.65 113.70 106.48 1xrg s SER 69 Ca 0.00 -0.77 0.06 0.00 0.48 0.00 0.00 55.95 55.72 1xrg s SER 69 Cb 0.00 0.58 0.58 0.00 0.10 0.00 0.00 66.02 67.29 1xrg s SER 69 CO 0.00 -1.16 1.82 -0.07 0.98 0.00 0.00 173.24 174.82 1xrg h LEU 70 N 2.00 0.38 -1.87 2.42 3.38 -1.88 -2.43 115.31 117.31 1xrg h LEU 70 Ca -0.28 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1xrg h LEU 70 Cb 1.23 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1xrg h LEU 70 CO 0.36 0.57 0.00 -1.13 0.09 0.00 0.00 178.44 178.33 1xrg h ASN 71 N 0.37 0.00 -0.44 -0.43 -1.24 -1.95 -2.81 115.58 109.08 1xrg h ASN 71 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.08 1xrg h ASN 71 Cb 0.49 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.54 1xrg h ASN 71 CO 0.03 0.00 0.00 0.29 -1.29 0.00 0.00 177.43 176.46 1xrg n LYS 72 N -2.84 2.95 -2.59 6.67 5.02 -0.92 -4.98 118.16 121.47 1xrg n LYS 72 Ca -0.01 -2.35 -0.42 0.00 -2.02 0.00 0.00 58.31 53.52 1xrg n LYS 72 Cb 0.18 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 1xrg n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xrg s VAL 73 N -1.31 4.39 -0.12 -0.18 1.01 -1.06 -1.13 120.40 122.00 1xrg s VAL 73 Ca 0.33 1.80 0.14 0.00 0.00 0.00 0.00 61.98 64.25 1xrg s VAL 73 Cb 0.19 -4.15 -0.20 0.00 0.00 0.00 0.00 36.38 32.22 1xrg s VAL 73 CO 0.19 0.18 0.11 1.33 0.00 0.00 0.00 175.10 176.91 1xrg n VAL 74 N 3.53 0.84 -3.71 2.92 0.24 -0.02 -4.32 118.33 117.81 1xrg n VAL 74 Ca 0.06 -0.59 -0.11 0.00 -2.04 0.00 0.00 64.34 61.66 1xrg n VAL 74 Cb 0.48 -0.46 -0.11 0.00 -1.47 0.00 0.00 33.84 32.28 1xrg n VAL 74 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1xrg s LYS 75 N -2.51 0.36 0.18 7.34 2.47 -1.01 -1.27 119.74 125.30 1xrg s LYS 75 Ca -0.07 0.71 0.10 0.00 -1.56 0.00 0.00 55.97 55.15 1xrg s LYS 75 Cb 0.06 -0.01 -0.04 0.00 -1.46 0.00 0.00 37.83 36.37 1xrg s LYS 75 CO 0.63 -0.15 -0.22 0.95 0.16 0.00 0.00 175.35 176.73 1xrg s THR 76 N 1.23 2.11 -0.10 3.43 -4.23 0.25 -0.89 115.64 117.45 1xrg s THR 76 Ca -0.08 -1.97 0.04 0.00 -1.18 0.00 0.00 61.69 58.50 1xrg s THR 76 Cb -0.08 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.78 1xrg s THR 76 CO -0.10 -0.19 -0.23 -0.89 -0.54 0.00 0.00 174.62 172.66 1xrg s THR 77 N -1.80 1.99 -0.27 3.99 2.01 -0.80 -1.96 115.64 118.80 1xrg s THR 77 Ca 0.18 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 1xrg s THR 77 Cb -0.07 -1.73 0.03 0.00 0.01 0.00 0.00 72.50 70.75 1xrg s THR 77 CO 0.08 0.54 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.83 1xrg s VAL 78 N 0.43 2.96 -0.24 3.82 1.01 0.10 -2.10 120.40 126.38 1xrg s VAL 78 Ca -0.17 -1.14 -0.09 0.00 0.00 0.00 0.00 61.98 60.58 1xrg s VAL 78 Cb -0.17 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1xrg s VAL 78 CO 0.07 0.09 0.12 -0.36 0.00 0.00 0.00 175.10 175.02 1xrg s PHE 79 N 1.31 3.23 0.15 5.22 0.08 0.16 -1.91 117.98 126.21 1xrg s PHE 79 Ca -0.02 0.03 0.08 0.00 0.12 0.00 0.00 56.93 57.14 1xrg s PHE 79 Cb -0.18 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 39.99 1xrg s PHE 79 CO -0.03 -0.05 -0.17 0.96 -0.10 0.00 0.00 175.22 175.83 1xrg s ILE 80 N 1.15 1.65 -0.52 0.64 -4.36 -0.68 -0.49 121.20 118.60 1xrg s ILE 80 Ca 0.06 -1.85 0.24 0.00 -0.26 0.00 0.00 60.65 58.84 1xrg s ILE 80 Cb -0.14 -1.74 0.24 0.00 1.25 0.00 0.00 42.46 42.07 1xrg s ILE 80 CO 0.05 -0.35 1.54 0.50 0.24 0.00 0.00 174.94 176.91 1xrg h LYS 81 N 3.33 0.00 -4.25 0.37 1.63 -1.38 -1.28 116.57 115.00 1xrg h LYS 81 Ca -0.41 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.19 1xrg h LYS 81 Cb 1.20 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.71 1xrg h LYS 81 CO 0.51 0.00 -0.41 0.34 -3.45 0.00 0.00 179.45 176.44 1xrg s ASP 82 N -5.36 0.21 0.00 4.20 2.15 -1.26 -4.80 116.67 111.80 1xrg s ASP 82 Ca 0.07 -1.26 0.00 0.00 0.43 0.00 0.00 52.55 51.79 1xrg s ASP 82 Cb 0.09 0.48 0.00 0.00 -0.30 0.00 0.00 42.92 43.19 1xrg s ASP 82 CO 0.67 -0.99 0.00 0.47 -0.17 0.00 0.00 175.17 175.15 1xrg n ASP 84 N -0.47 0.00 0.00 -0.34 8.00 -1.26 -3.83 116.55 118.65 1xrg n ASP 84 Ca 0.01 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.64 1xrg n ASP 84 Cb 0.64 -0.00 0.75 0.00 -0.02 0.00 0.00 41.12 42.49 1xrg n ASP 84 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1xrg n SER 85 N 0.00 0.00 0.24 -2.24 3.41 -1.26 -4.58 113.62 109.19 1xrg n SER 85 Ca 0.00 -1.09 0.08 0.00 -0.26 0.00 0.00 58.87 57.60 1xrg n SER 85 Cb 0.00 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 64.53 1xrg n SER 85 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1xrg h PHE 86 N 0.00 0.00 -0.86 7.33 3.57 -2.01 -1.94 116.94 123.03 1xrg h PHE 86 Ca 0.00 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1xrg h PHE 86 Cb 0.00 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1xrg h PHE 86 CO 0.00 0.16 0.57 0.00 -2.23 0.00 0.00 178.31 176.81 1xrg h ALA 87 N 1.84 1.41 -0.35 2.41 0.00 -1.95 0.52 119.26 123.14 1xrg h ALA 87 Ca -0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1xrg h ALA 87 Cb 0.31 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xrg h ALA 87 CO 0.02 0.53 -0.19 0.87 0.00 0.00 0.00 179.25 180.49 1xrg h LYS 88 N 1.14 0.75 -0.27 0.00 1.57 -1.72 -0.91 116.57 117.13 1xrg h LYS 88 Ca 0.32 -0.33 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1xrg h LYS 88 Cb -0.08 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1xrg h LYS 88 CO -0.08 0.95 0.10 0.28 -0.57 0.00 0.00 179.45 180.13 1xrg h VAL 89 N 0.53 0.94 -0.82 0.50 2.07 -1.41 -2.80 116.25 115.26 1xrg h VAL 89 Ca 0.08 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1xrg h VAL 89 Cb 0.73 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 1xrg h VAL 89 CO 0.05 0.04 0.49 -1.13 0.02 0.00 0.00 177.57 177.04 1xrg h ASN 90 N 0.22 0.74 -0.79 0.57 -1.24 -0.74 -0.76 115.58 113.59 1xrg h ASN 90 Ca 0.12 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.16 1xrg h ASN 90 Cb 0.08 -0.12 -0.04 0.00 0.73 0.00 0.00 38.32 38.97 1xrg h ASN 90 CO -0.11 0.46 0.50 -0.08 -1.29 0.00 0.00 177.43 176.90 1xrg h GLU 91 N 0.86 1.05 -0.01 6.67 4.81 -0.99 -0.35 114.58 126.64 1xrg h GLU 91 Ca 0.37 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1xrg h GLU 91 Cb 0.24 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 1xrg h GLU 91 CO -0.20 0.72 -0.01 0.28 -0.73 0.00 0.00 179.01 179.07 1xrg h VAL 92 N 1.07 1.39 -0.73 0.32 2.07 -1.19 -3.31 116.25 115.87 1xrg h VAL 92 Ca 0.29 -1.15 0.12 0.00 0.82 0.00 0.00 66.70 66.78 1xrg h VAL 92 Cb -0.08 2.15 -0.09 0.00 -1.52 0.00 0.00 31.29 31.76 1xrg h VAL 92 CO -0.06 0.30 0.31 0.22 0.02 0.00 0.00 177.57 178.37 1xrg h TYR 93 N -0.46 0.54 -0.41 1.57 3.20 -1.01 -1.45 116.97 118.95 1xrg h TYR 93 Ca 0.00 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.02 1xrg h TYR 93 Cb 0.50 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1xrg h TYR 93 CO 0.09 0.11 0.33 0.00 -1.64 0.00 0.00 178.16 177.06 1xrg h ALA 94 N 1.50 2.28 0.00 1.82 0.00 -1.14 -0.21 119.26 123.52 1xrg h ALA 94 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1xrg h ALA 94 Cb 0.54 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xrg h ALA 94 CO -0.36 -0.54 0.00 1.63 0.00 0.00 0.00 179.25 179.99 1xrg n LYS 95 N -4.20 0.23 0.00 0.00 5.02 -0.55 -3.79 118.16 114.87 1xrg n LYS 95 Ca 0.07 0.34 0.08 0.00 -2.02 0.00 0.00 58.31 56.78 1xrg n LYS 95 Cb 0.52 -1.85 -0.09 0.00 -0.02 0.00 0.00 35.03 33.58 1xrg n LYS 95 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1xrg n TYR 96 N -2.27 0.00 -4.26 2.13 4.02 -0.09 -4.98 117.16 111.71 1xrg n TYR 96 Ca 0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.73 1xrg n TYR 96 Cb 0.31 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.52 1xrg n TYR 96 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1xrg s PHE 97 N -2.57 1.54 0.27 -0.72 0.08 -1.22 -4.70 117.98 110.65 1xrg s PHE 97 Ca 0.07 -0.51 0.09 0.00 0.12 0.00 0.00 56.93 56.71 1xrg s PHE 97 Cb 0.13 -0.80 -0.05 0.00 -0.57 0.00 0.00 43.02 41.72 1xrg s PHE 97 CO 0.68 0.19 -0.14 -1.54 -0.10 0.00 0.00 175.22 174.32 1xrg s SER 98 N -2.38 3.21 0.28 1.36 1.04 -1.26 -4.93 113.70 111.02 1xrg s SER 98 Ca 0.09 -1.09 -0.29 0.00 0.48 0.00 0.00 55.95 55.14 1xrg s SER 98 Cb -0.06 -0.24 -0.10 0.00 0.10 0.00 0.00 66.02 65.72 1xrg s SER 98 CO 0.04 -0.14 1.13 -1.61 0.98 0.00 0.00 173.24 173.64 1xrg s GLU 99 N -3.61 4.60 0.07 4.02 2.02 -1.26 -3.05 118.70 121.50 1xrg s GLU 99 Ca 0.29 1.85 -0.31 0.00 0.02 0.00 0.00 54.97 56.82 1xrg s GLU 99 Cb -0.01 -3.18 -0.07 0.00 0.10 0.00 0.00 34.13 30.98 1xrg s GLU 99 CO 0.13 0.16 1.34 -1.25 0.02 0.00 0.00 175.26 175.66 1xrg s PRO 100 N -1.46 4.34 0.54 0.39 0.04 -1.26 -5.13 135.00 132.45 1xrg s PRO 100 Ca 0.45 1.97 -0.19 0.00 0.04 0.00 0.00 61.00 63.27 1xrg s PRO 100 Cb -0.33 -3.36 -0.06 0.00 0.04 0.00 0.00 34.50 30.80 1xrg s PRO 100 CO 0.42 -0.43 1.09 0.71 0.04 0.00 0.00 177.00 178.84 1xrg s TYR 101 N 1.42 2.81 0.52 0.56 2.02 -1.17 -4.97 117.35 118.54 1xrg s TYR 101 Ca 0.63 1.55 -0.21 0.00 -0.37 0.00 0.00 57.07 58.67 1xrg s TYR 101 Cb -0.34 -3.17 -0.07 0.00 -0.40 0.00 0.00 41.96 37.98 1xrg s TYR 101 CO 0.29 -1.28 1.06 -2.30 -1.57 0.00 0.00 175.55 171.75 1xrg n PRO 102 N -1.36 1.27 -1.31 -1.71 -0.02 -1.26 -4.97 135.00 125.64 1xrg n PRO 102 Ca 0.10 0.47 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 1xrg n PRO 102 Cb 0.52 -2.21 0.09 0.00 -0.02 0.00 0.00 33.50 31.88 1xrg n PRO 102 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xrg n ALA 103 N -1.07 -0.24 -3.38 3.55 0.00 -0.40 -4.86 120.51 114.12 1xrg n ALA 103 Ca 0.11 -0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 1xrg n ALA 103 Cb 0.44 -2.13 -0.09 0.00 0.00 0.00 0.00 19.45 17.66 1xrg n ALA 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1xrg s ARG 104 N -3.47 0.63 -0.05 0.00 3.52 -1.26 -0.58 118.95 117.74 1xrg s ARG 104 Ca 0.73 0.52 0.05 0.00 -0.13 0.00 0.00 55.73 56.90 1xrg s ARG 104 Cb -0.33 0.30 -0.01 0.00 -1.56 0.00 0.00 34.95 33.35 1xrg s ARG 104 CO 0.51 -0.11 -0.20 -1.12 -0.81 0.00 0.00 175.30 173.56 1xrg s SER 105 N -0.10 2.55 -0.13 -2.12 0.01 -0.83 -4.97 113.70 108.11 1xrg s SER 105 Ca -0.03 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 56.81 1xrg s SER 105 Cb -0.03 -0.75 0.02 0.00 0.21 0.00 0.00 66.02 65.47 1xrg s SER 105 CO 0.02 0.18 -0.14 0.00 0.41 0.00 0.00 173.24 173.72 1xrg s VAL 107 N 1.32 0.43 -0.14 0.00 -7.23 -0.80 -5.01 120.40 108.97 1xrg s VAL 107 Ca 0.01 -0.89 -0.20 0.00 -1.81 0.00 0.00 61.98 59.08 1xrg s VAL 107 Cb -0.14 -0.49 -0.03 0.00 0.56 0.00 0.00 36.38 36.28 1xrg s VAL 107 CO -0.07 -0.32 0.57 -0.70 -0.31 0.00 0.00 175.10 174.27 1xrg s GLU 108 N -1.30 4.31 0.38 4.82 2.12 -1.26 -1.68 118.70 126.09 1xrg s GLU 108 Ca -0.09 0.58 0.08 0.00 0.36 0.00 0.00 54.97 55.90 1xrg s GLU 108 Cb -0.09 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1xrg s GLU 108 CO 0.00 -0.01 0.21 0.14 -0.54 0.00 0.00 175.26 175.06 1xrg s VAL 109 N 1.15 2.72 -0.25 3.70 -7.23 -0.48 -4.95 120.40 115.05 1xrg s VAL 109 Ca 0.29 -1.61 0.18 0.00 -1.81 0.00 0.00 61.98 59.03 1xrg s VAL 109 Cb -0.16 -3.00 0.13 0.00 0.56 0.00 0.00 36.38 33.92 1xrg s VAL 109 CO 0.12 -0.08 1.44 0.77 -0.31 0.00 0.00 175.10 177.04 1xrg h SER 110 N 1.39 0.00 -4.52 4.85 4.64 -1.94 -3.42 113.55 114.55 1xrg h SER 110 Ca -0.43 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.94 1xrg h SER 110 Cb 1.26 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.15 1xrg h SER 110 CO 0.64 0.33 0.43 -0.75 -0.87 0.00 0.00 176.83 176.61 1xrg s LYS 111 N -3.05 0.81 0.29 4.77 2.47 -1.26 -5.07 119.74 118.69 1xrg s LYS 111 Ca 0.04 0.00 0.06 0.00 -1.56 0.00 0.00 55.97 54.51 1xrg s LYS 111 Cb 0.07 0.38 -0.06 0.00 -1.46 0.00 0.00 37.83 36.76 1xrg s LYS 111 CO 0.73 -0.29 -0.03 -0.51 0.16 0.00 0.00 175.35 175.40 1xrg s LEU 112 N -1.63 2.45 0.25 5.43 1.43 -1.26 -5.06 118.68 120.29 1xrg s LEU 112 Ca -0.02 -1.23 -0.31 0.00 -1.03 0.00 0.00 54.13 51.54 1xrg s LEU 112 Cb -0.01 -0.60 -0.13 0.00 0.03 0.00 0.00 46.19 45.49 1xrg s LEU 112 CO -0.01 -0.40 1.47 -2.65 0.23 0.00 0.00 176.35 175.00 1xrg n PRO 113 N -0.61 2.25 -1.68 1.29 -0.02 -1.26 -1.73 135.00 133.23 1xrg n PRO 113 Ca -0.05 0.80 -0.20 0.00 -2.02 0.00 0.00 63.50 62.03 1xrg n PRO 113 Cb 0.64 -2.50 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 1xrg n PRO 113 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1xrg n LYS 114 N 2.10 -1.48 -1.51 -0.52 4.76 -1.26 -2.53 118.16 117.73 1xrg n LYS 114 Ca 0.11 1.16 -0.15 0.00 -2.87 0.00 0.00 58.31 56.55 1xrg n LYS 114 Cb 0.33 -5.57 -0.06 0.00 -1.84 0.00 0.00 35.03 27.89 1xrg n LYS 114 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xrg n GLY 115 N -0.45 1.42 3.64 0.72 0.00 -0.70 -4.99 105.19 104.83 1xrg n GLY 115 Ca -0.21 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1xrg n GLY 115 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xrg s VAL 116 N -2.58 2.19 -1.48 1.61 -7.23 -1.05 -4.91 120.40 106.94 1xrg s VAL 116 Ca 0.00 0.06 0.22 0.00 -1.81 0.00 0.00 61.98 60.46 1xrg s VAL 116 Cb 0.00 -2.15 -0.08 0.00 0.56 0.00 0.00 36.38 34.71 1xrg s VAL 116 CO 0.00 -0.08 1.08 0.18 -0.31 0.00 0.00 175.10 175.97 1xrg n LEU 117 N -4.33 1.37 -3.63 1.32 4.77 -1.26 -4.41 117.00 110.82 1xrg n LEU 117 Ca 0.09 -0.54 -0.15 0.00 -0.03 0.00 0.00 56.01 55.38 1xrg n LEU 117 Cb 0.53 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 1xrg n LEU 117 CO 0.52 0.29 0.29 -0.51 -1.33 0.00 0.00 177.39 176.65 1xrg s ILE 118 N -2.75 0.01 -0.06 -0.08 2.07 -1.26 -1.15 121.20 117.98 1xrg s ILE 118 Ca 0.14 -0.09 -0.04 0.00 -1.41 0.00 0.00 60.65 59.24 1xrg s ILE 118 Cb 0.17 -0.85 0.03 0.00 0.13 0.00 0.00 42.46 41.94 1xrg s ILE 118 CO 0.71 -0.05 0.16 -0.70 -1.91 0.00 0.00 174.94 173.14 1xrg s GLU 119 N -0.58 0.15 -0.06 3.50 2.12 0.36 -4.35 118.70 119.83 1xrg s GLU 119 Ca -0.07 0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.56 1xrg s GLU 119 Cb -0.03 -0.04 0.02 0.00 0.26 0.00 0.00 34.13 34.35 1xrg s GLU 119 CO 0.05 -0.09 -0.03 0.42 -0.54 0.00 0.00 175.26 175.07 1xrg s ILE 120 N 0.61 0.51 0.20 -3.70 1.01 -0.52 -0.67 121.20 118.64 1xrg s ILE 120 Ca -0.04 -0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.63 1xrg s ILE 120 Cb -0.06 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 1xrg s ILE 120 CO -0.03 0.24 0.09 -1.83 0.00 0.00 0.00 174.94 173.42 1xrg s GLU 121 N 1.32 2.67 0.03 2.79 -1.05 -0.89 -0.02 118.70 123.54 1xrg s GLU 121 Ca -0.05 -1.07 0.00 0.00 -0.15 0.00 0.00 54.97 53.71 1xrg s GLU 121 Cb -0.13 -2.47 -0.02 0.00 -0.44 0.00 0.00 34.13 31.06 1xrg s GLU 121 CO -0.02 0.44 -0.04 0.00 0.95 0.00 0.00 175.26 176.58 1xrg s ALA 122 N -1.93 0.25 -0.15 -0.84 0.00 -1.26 -1.91 121.76 115.92 1xrg s ALA 122 Ca 0.30 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1xrg s ALA 122 Cb -0.09 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1xrg s ALA 122 CO 0.22 -0.15 -0.09 0.08 0.00 0.00 0.00 175.76 175.83 1xrg s VAL 123 N -1.65 3.41 0.27 0.00 1.01 -0.07 -1.53 120.40 121.84 1xrg s VAL 123 Ca -0.13 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1xrg s VAL 123 Cb -0.08 -2.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.77 1xrg s VAL 123 CO -0.01 0.50 0.03 0.00 0.00 0.00 0.00 175.10 175.62 1xrg s ALA 124 N 0.48 2.01 0.20 5.51 0.00 0.37 -0.84 121.76 129.49 1xrg s ALA 124 Ca -0.06 -1.88 0.06 0.00 0.00 0.00 0.00 51.96 50.08 1xrg s ALA 124 Cb -0.15 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 1xrg s ALA 124 CO 0.04 -0.29 0.12 0.96 0.00 0.00 0.00 175.76 176.58 1xrg s ILE 125 N -3.41 4.24 -1.47 0.00 -4.36 -0.28 -0.17 121.20 115.76 1xrg s ILE 125 Ca 0.33 -1.31 0.12 0.00 -0.26 0.00 0.00 60.65 59.53 1xrg s ILE 125 Cb 0.07 -3.21 0.09 0.00 1.25 0.00 0.00 42.46 40.66 1xrg s ILE 125 CO 0.12 -0.20 0.87 2.29 0.24 0.00 0.00 174.94 178.26