#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aiv n PRO 2 N 0.00 0.52 -3.16 1.61 -0.04 -1.26 -4.57 135.00 128.10 2aiv n PRO 2 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 2aiv n PRO 2 Cb 0.00 -1.24 0.05 0.00 -0.04 0.00 0.00 33.50 32.27 2aiv n PRO 2 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2aiv n ASN 3 N 1.62 -6.19 -0.38 3.54 3.02 -1.26 -4.89 115.26 110.72 2aiv n ASN 3 Ca 0.00 -0.35 -0.01 0.00 -0.03 0.00 0.00 54.58 54.19 2aiv n ASN 3 Cb 0.26 -4.95 0.12 0.00 -0.61 0.00 0.00 39.78 34.60 2aiv n ASN 3 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2aiv h GLU 4 N -1.72 1.31 -1.93 3.52 5.08 -1.94 -3.40 114.58 115.50 2aiv h GLU 4 Ca -0.54 -0.08 -0.19 0.00 -1.00 0.00 0.00 59.36 57.55 2aiv h GLU 4 Cb 1.37 -0.29 -0.30 0.00 0.50 0.00 0.00 28.75 30.02 2aiv h GLU 4 CO 0.56 0.86 -0.52 1.21 -1.00 0.00 0.00 179.01 180.12 2aiv s ASN 5 N -6.10 0.53 0.03 1.42 3.84 -1.26 -5.15 114.94 108.26 2aiv s ASN 5 Ca -0.13 -0.06 0.01 0.00 0.21 0.00 0.00 52.86 52.89 2aiv s ASN 5 Cb 0.18 0.98 -0.02 0.00 -0.55 0.00 0.00 41.25 41.84 2aiv s ASN 5 CO 0.82 -0.32 -0.05 -0.72 -2.79 0.00 0.00 177.10 174.04 2aiv s TYR 6 N 2.51 0.44 0.05 0.43 1.13 -1.26 -4.56 117.35 116.08 2aiv s TYR 6 Ca 0.11 -0.55 -0.01 0.00 -1.41 0.00 0.00 57.07 55.21 2aiv s TYR 6 Cb -0.15 -0.28 -0.04 0.00 -1.10 0.00 0.00 41.96 40.39 2aiv s TYR 6 CO -0.21 -0.16 -0.03 1.52 -2.51 0.00 0.00 175.55 174.16 2aiv s TYR 7 N -1.59 0.49 0.27 -3.49 1.13 -1.23 -5.07 117.35 107.85 2aiv s TYR 7 Ca -0.12 -0.96 0.02 0.00 -1.41 0.00 0.00 57.07 54.60 2aiv s TYR 7 Cb -0.09 -0.36 -0.05 0.00 -1.10 0.00 0.00 41.96 40.36 2aiv s TYR 7 CO -0.01 -0.33 0.08 0.42 -2.51 0.00 0.00 175.55 173.20 2aiv s ILE 8 N -3.42 0.72 -1.42 -3.49 1.01 -1.25 -3.67 121.20 109.68 2aiv s ILE 8 Ca 0.03 -2.00 -0.13 0.00 0.00 0.00 0.00 60.65 58.55 2aiv s ILE 8 Cb 0.04 -2.66 0.06 0.00 0.01 0.00 0.00 42.46 39.92 2aiv s ILE 8 CO -0.08 -0.02 2.19 -1.54 0.00 0.00 0.00 174.94 175.49 2aiv n SER 9 N -0.51 4.49 -1.35 3.58 3.41 -0.92 -1.35 113.62 120.97 2aiv n SER 9 Ca -0.01 -2.90 -0.09 0.00 -0.26 0.00 0.00 58.87 55.61 2aiv n SER 9 Cb 0.66 -1.61 0.16 0.00 -0.26 0.00 0.00 64.21 63.16 2aiv n SER 9 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2aiv n PRO 10 N 5.35 2.21 0.00 4.33 -0.04 -1.26 -4.58 135.00 141.02 2aiv n PRO 10 Ca 0.51 -3.42 0.00 0.00 -0.04 0.00 0.00 63.50 60.55 2aiv n PRO 10 Cb 0.37 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 2aiv n PRO 10 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2aiv n SER 11 N -1.03 0.00 -0.07 3.54 2.88 -0.46 -4.61 113.62 113.87 2aiv n SER 11 Ca 0.36 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.81 2aiv n SER 11 Cb 0.95 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.39 2aiv n SER 11 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2aiv h LEU 12 N 0.00 0.30 0.21 2.46 3.38 -1.94 -0.14 115.31 119.58 2aiv h LEU 12 Ca 0.00 -0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 2aiv h LEU 12 Cb 0.00 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.70 2aiv h LEU 12 CO 0.00 0.22 -1.51 0.44 0.09 0.00 0.00 178.44 177.68 2aiv h ASP 13 N 0.36 0.68 -1.00 -0.43 3.32 -1.99 -3.31 116.42 114.05 2aiv h ASP 13 Ca 0.10 -0.93 0.03 0.00 0.02 0.00 0.00 57.03 56.25 2aiv h ASP 13 Cb -0.03 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.24 2aiv h ASP 13 CO -0.03 1.70 0.66 0.74 -1.72 0.00 0.00 179.24 180.59 2aiv h THR 14 N 0.03 1.21 -0.86 0.35 2.02 -1.81 -1.87 112.91 111.98 2aiv h THR 14 Ca -0.28 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 2aiv h THR 14 Cb 2.05 -0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 2aiv h THR 14 CO 0.21 0.24 0.53 0.25 0.37 0.00 0.00 175.52 177.11 2aiv h LEU 15 N 1.30 1.03 -1.12 2.58 5.85 -1.14 -2.29 115.31 121.51 2aiv h LEU 15 Ca 0.39 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 2aiv h LEU 15 Cb -0.06 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 2aiv h LEU 15 CO -0.11 0.78 0.49 0.28 -0.34 0.00 0.00 178.44 179.55 2aiv h SER 16 N 1.19 0.96 0.10 1.25 0.02 -1.43 -0.21 113.55 115.42 2aiv h SER 16 Ca 0.31 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2aiv h SER 16 Cb -0.06 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.23 2aiv h SER 16 CO -0.06 0.73 0.00 -1.20 -1.14 0.00 0.00 176.83 175.16 2aiv n SER 17 N -4.38 0.00 -4.68 3.07 7.64 -0.86 -4.75 113.62 109.65 2aiv n SER 17 Ca 0.09 0.09 -0.31 0.00 1.01 0.00 0.00 58.87 59.75 2aiv n SER 17 Cb 0.06 -0.22 0.16 0.00 -1.01 0.00 0.00 64.21 63.20 2aiv n SER 17 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2aiv s TYR 18 N -2.44 1.68 0.97 1.43 1.51 -0.09 -4.98 117.35 115.43 2aiv s TYR 18 Ca 0.07 1.78 -0.12 0.00 -1.01 0.00 0.00 57.07 57.80 2aiv s TYR 18 Cb 0.05 -3.33 0.17 0.00 -0.11 0.00 0.00 41.96 38.74 2aiv s TYR 18 CO 0.10 -2.75 1.08 0.45 -1.11 0.00 0.00 175.55 173.32 2aiv s SER 19 N -2.71 2.69 0.10 2.29 0.15 -1.26 -4.59 113.70 110.37 2aiv s SER 19 Ca 0.67 1.60 -0.22 0.00 0.70 0.00 0.00 55.95 58.70 2aiv s SER 19 Cb -0.23 -2.26 -0.11 0.00 -1.71 0.00 0.00 66.02 61.72 2aiv s SER 19 CO 0.58 -3.15 1.74 0.25 1.20 0.00 0.00 173.24 173.85 2aiv h LEU 20 N -1.90 -0.01 -0.35 3.45 5.85 -1.95 0.88 115.31 121.29 2aiv h LEU 20 Ca -0.52 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.04 2aiv h LEU 20 Cb 1.30 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 2aiv h LEU 20 CO 0.51 0.01 -0.49 0.25 -0.34 0.00 0.00 178.44 178.38 2aiv h LEU 21 N 0.04 0.97 -0.66 2.25 7.12 -1.98 -1.66 115.31 121.39 2aiv h LEU 21 Ca 0.03 -0.49 -0.07 0.00 0.13 0.00 0.00 57.88 57.48 2aiv h LEU 21 Cb 0.03 -0.28 -0.03 0.00 -0.53 0.00 0.00 40.66 39.86 2aiv h LEU 21 CO -0.05 1.29 0.14 -0.61 -0.13 0.00 0.00 178.44 179.08 2aiv h GLN 22 N 0.69 1.07 -0.35 1.25 5.75 -1.77 -1.25 115.11 120.50 2aiv h GLN 22 Ca 0.03 -0.27 -0.14 0.00 -0.15 0.00 0.00 58.65 58.12 2aiv h GLN 22 Cb 1.09 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.50 2aiv h GLN 22 CO 0.11 0.97 -0.35 1.25 -2.65 0.00 0.00 178.83 178.16 2aiv h LEU 23 N 0.99 0.91 -0.80 -2.39 5.85 0.82 -3.04 115.31 117.65 2aiv h LEU 23 Ca 0.20 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 2aiv h LEU 23 Cb 0.39 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2aiv h LEU 23 CO 0.01 1.19 0.27 0.03 -0.34 0.00 0.00 178.44 179.59 2aiv h ARG 24 N 0.65 1.16 -2.97 1.25 3.08 -1.13 -3.37 114.38 113.05 2aiv h ARG 24 Ca 0.06 -0.23 -0.61 0.00 0.07 0.00 0.00 59.98 59.26 2aiv h ARG 24 Cb 0.93 -0.18 -0.40 0.00 0.08 0.00 0.00 29.97 30.40 2aiv h ARG 24 CO 0.09 0.96 -0.71 0.21 -1.07 0.00 0.00 179.97 179.45 2aiv s LYS 25 N -5.46 1.71 -0.81 0.04 2.20 -0.49 0.77 119.74 117.70 2aiv s LYS 25 Ca -0.12 -2.56 -0.25 0.00 -0.36 0.00 0.00 55.97 52.68 2aiv s LYS 25 Cb 0.15 -2.67 -0.03 0.00 -1.51 0.00 0.00 37.83 33.77 2aiv s LYS 25 CO 0.84 -1.24 1.89 0.14 -0.36 0.00 0.00 175.35 176.62 2aiv s VAL 26 N -0.39 3.44 0.00 4.02 -7.23 -1.15 -4.69 120.40 114.40 2aiv s VAL 26 Ca 0.23 -0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.21 2aiv s VAL 26 Cb -0.13 -4.04 0.00 0.00 0.56 0.00 0.00 36.38 32.77 2aiv s VAL 26 CO -0.09 -0.99 0.29 -0.81 -0.31 0.00 0.00 175.10 173.19 2aiv n PRO 27 N 8.97 0.00 -3.28 4.82 -0.04 -1.26 -4.06 135.00 140.15 2aiv n PRO 27 Ca 0.33 0.11 -0.43 0.00 -0.04 0.00 0.00 63.50 63.47 2aiv n PRO 27 Cb 0.49 -0.79 -0.08 0.00 -0.04 0.00 0.00 33.50 33.07 2aiv n PRO 27 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2aiv s HIS 28 N -0.59 3.15 -0.16 0.54 5.65 -1.26 -3.91 115.29 118.71 2aiv s HIS 28 Ca 0.00 -0.36 -0.05 0.00 0.25 0.00 0.00 55.06 54.91 2aiv s HIS 28 Cb 0.00 -3.02 -0.03 0.00 -1.18 0.00 0.00 32.58 28.35 2aiv s HIS 28 CO 0.00 -0.75 -0.01 -0.51 -0.65 0.00 0.00 174.74 172.81 2aiv s LEU 29 N 2.26 3.41 -0.26 8.88 1.43 -0.20 -4.90 118.68 129.30 2aiv s LEU 29 Ca 0.14 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 2aiv s LEU 29 Cb -0.17 -1.83 0.06 0.00 0.03 0.00 0.00 46.19 44.28 2aiv s LEU 29 CO 0.14 0.18 -0.11 -0.69 0.23 0.00 0.00 176.35 176.10 2aiv s VAL 30 N 0.30 2.17 -0.06 -1.59 1.01 -1.26 -1.46 120.40 119.51 2aiv s VAL 30 Ca -0.02 -1.64 0.02 0.00 0.00 0.00 0.00 61.98 60.34 2aiv s VAL 30 Cb -0.14 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 33.98 2aiv s VAL 30 CO 0.02 -0.04 -0.10 -0.69 0.00 0.00 0.00 175.10 174.29 2aiv s VAL 31 N 1.10 0.99 0.00 2.92 1.01 0.13 -2.16 120.40 124.38 2aiv s VAL 31 Ca -0.09 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2aiv s VAL 31 Cb -0.20 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.26 2aiv s VAL 31 CO -0.05 0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.98 2aiv n GLY 32 N 3.82 0.88 0.26 4.51 0.00 -1.24 0.27 105.19 113.68 2aiv n GLY 32 Ca -0.23 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.12 2aiv n GLY 32 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2aiv n HIS 33 N -0.16 0.22 0.00 1.61 8.25 -1.18 -3.54 115.22 120.42 2aiv n HIS 33 Ca 0.00 -0.83 0.00 0.00 -0.26 0.00 0.00 57.72 56.63 2aiv n HIS 33 Cb 0.00 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 30.96 2aiv n HIS 33 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2aiv n LYS 34 N -0.92 0.00 -0.31 -0.41 5.02 -1.26 -3.92 118.16 116.37 2aiv n LYS 34 Ca 0.13 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.40 2aiv n LYS 34 Cb 0.59 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.74 2aiv n LYS 34 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2aiv h SER 35 N 0.00 1.07 0.75 4.39 4.64 -1.95 -1.78 113.55 120.67 2aiv h SER 35 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2aiv h SER 35 Cb 0.00 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.82 2aiv h SER 35 CO 0.00 0.82 -0.25 -1.22 -0.87 0.00 0.00 176.83 175.31 2aiv n TYR 36 N -4.36 0.01 0.00 4.77 4.02 -1.25 -4.83 117.16 115.51 2aiv n TYR 36 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 2aiv n TYR 36 Cb 0.06 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.00 2aiv n TYR 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2aiv n GLY 37 N 1.50 2.62 3.72 2.72 0.00 -0.67 -4.17 105.19 110.92 2aiv n GLY 37 Ca 0.06 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 2aiv n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2aiv s LYS 38 N -3.26 4.18 -0.02 1.61 2.20 -1.24 -3.13 119.74 120.08 2aiv s LYS 38 Ca 0.00 -0.23 0.05 0.00 -0.36 0.00 0.00 55.97 55.43 2aiv s LYS 38 Cb 0.00 -3.41 -0.01 0.00 -1.51 0.00 0.00 37.83 32.90 2aiv s LYS 38 CO 0.00 0.29 -0.16 0.42 -0.36 0.00 0.00 175.35 175.54 2aiv s ILE 39 N 0.38 1.26 -0.02 5.43 1.01 0.14 -2.64 121.20 126.75 2aiv s ILE 39 Ca 0.08 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 60.10 2aiv s ILE 39 Cb -0.11 -1.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 2aiv s ILE 39 CO -0.02 0.36 -0.16 -1.61 0.00 0.00 0.00 174.94 173.51 2aiv s GLU 40 N -0.31 1.45 -0.18 2.79 2.02 -0.94 0.18 118.70 123.71 2aiv s GLU 40 Ca 0.05 -0.57 -0.04 0.00 0.02 0.00 0.00 54.97 54.43 2aiv s GLU 40 Cb -0.07 -1.34 -0.02 0.00 0.10 0.00 0.00 34.13 32.80 2aiv s GLU 40 CO -0.00 0.29 -0.02 -0.06 0.02 0.00 0.00 175.26 175.49 2aiv s PHE 41 N -0.19 3.02 -0.58 1.61 0.08 -0.53 -1.75 117.98 119.64 2aiv s PHE 41 Ca 0.02 -0.44 0.14 0.00 0.12 0.00 0.00 56.93 56.77 2aiv s PHE 41 Cb -0.08 -2.03 0.46 0.00 -0.57 0.00 0.00 43.02 40.80 2aiv s PHE 41 CO 0.00 -0.19 1.38 1.28 -0.10 0.00 0.00 175.22 177.59 2aiv n LEU 42 N 4.00 3.60 -4.87 -0.37 4.77 -1.25 -1.04 117.00 121.85 2aiv n LEU 42 Ca -0.17 -2.54 -0.29 0.00 -0.03 0.00 0.00 56.01 52.97 2aiv n LEU 42 Cb 0.52 -0.42 0.09 0.00 -2.33 0.00 0.00 43.42 41.28 2aiv n LEU 42 CO 0.32 0.71 0.76 -1.61 -1.33 0.00 0.00 177.39 176.24 2aiv s GLU 43 N -1.98 2.05 -0.74 3.23 0.41 -1.26 -4.76 118.70 115.65 2aiv s GLU 43 Ca 0.35 0.27 -0.00 0.00 -0.41 0.00 0.00 54.97 55.18 2aiv s GLU 43 Cb 0.25 -1.95 0.18 0.00 -1.78 0.00 0.00 34.13 30.84 2aiv s GLU 43 CO 0.13 -1.56 0.57 -1.25 -0.49 0.00 0.00 175.26 172.66 2aiv s PRO 44 N -5.44 2.79 -1.25 0.39 0.04 -1.26 -3.38 135.00 126.88 2aiv s PRO 44 Ca 0.61 -3.01 -0.19 0.00 0.04 0.00 0.00 61.00 58.44 2aiv s PRO 44 Cb -0.12 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.70 2aiv s PRO 44 CO 0.51 -1.23 1.85 0.28 0.04 0.00 0.00 177.00 178.45 2aiv n VAL 45 N 2.67 3.14 -1.74 -0.36 0.31 -0.62 -4.64 118.33 117.10 2aiv n VAL 45 Ca 0.16 -3.20 -0.23 0.00 -0.01 0.00 0.00 64.34 61.06 2aiv n VAL 45 Cb 0.36 -2.31 -0.05 0.00 -0.91 0.00 0.00 33.84 30.93 2aiv n VAL 45 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2aiv s ASP 46 N 4.89 4.42 -0.11 4.52 1.01 0.23 -4.35 116.67 127.29 2aiv s ASP 46 Ca 0.58 0.05 -0.01 0.00 0.71 0.00 0.00 52.55 53.88 2aiv s ASP 46 Cb 0.04 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.36 2aiv s ASP 46 CO 0.09 -3.29 -0.11 0.18 0.21 0.00 0.00 175.17 172.25 2aiv n LEU 47 N 16.49 2.41 -3.78 1.23 4.77 -1.26 -4.74 117.00 132.12 2aiv n LEU 47 Ca 0.41 -0.01 -0.27 0.00 -0.03 0.00 0.00 56.01 56.11 2aiv n LEU 47 Cb 0.47 -0.35 0.05 0.00 -2.33 0.00 0.00 43.42 41.25 2aiv n LEU 47 CO 0.60 0.56 0.16 0.00 -1.33 0.00 0.00 177.39 177.38 2aiv n ALA 48 N -2.98 -1.31 0.00 -1.18 0.00 -1.26 -4.28 120.51 109.49 2aiv n ALA 48 Ca -0.19 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2aiv n ALA 48 Cb 0.68 -4.87 0.00 0.00 0.00 0.00 0.00 19.45 15.26 2aiv n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aiv n GLY 49 N -1.82 0.23 2.92 0.00 0.00 -1.26 -5.07 105.19 100.18 2aiv n GLY 49 Ca 0.02 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 2aiv n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2aiv n ILE 50 N 0.00 -9.91 -1.45 -0.61 -0.00 -1.26 -4.92 119.36 101.21 2aiv n ILE 50 Ca 0.00 1.05 -0.24 0.00 -0.00 0.00 0.00 62.75 63.56 2aiv n ILE 50 Cb 0.00 -6.45 0.12 0.00 -0.00 0.00 0.00 39.64 33.31 2aiv n ILE 50 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 2aiv n PRO 51 N 0.12 2.56 0.10 0.38 -0.04 -1.26 -4.55 135.00 132.31 2aiv n PRO 51 Ca 0.05 -3.36 -0.03 0.00 -0.04 0.00 0.00 63.50 60.12 2aiv n PRO 51 Cb 0.36 -2.16 0.17 0.00 -0.04 0.00 0.00 33.50 31.82 2aiv n PRO 51 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2aiv h LEU 52 N 1.59 0.22 -1.30 1.53 3.38 -2.00 -3.14 115.31 115.58 2aiv h LEU 52 Ca 0.50 -0.11 0.29 0.00 0.09 0.00 0.00 57.88 58.64 2aiv h LEU 52 Cb 1.60 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 42.18 2aiv h LEU 52 CO 1.09 0.72 0.67 0.00 0.09 0.00 0.00 178.44 181.01 2aiv h THR 53 N 0.15 0.46 -0.91 0.22 1.03 -1.87 0.29 112.91 112.29 2aiv h THR 53 Ca 0.00 -0.13 -0.01 0.00 -0.01 0.00 0.00 66.41 66.27 2aiv h THR 53 Cb 1.01 0.05 -0.04 0.00 -1.07 0.00 0.00 68.15 68.09 2aiv h THR 53 CO 0.08 0.07 0.55 0.28 -0.01 0.00 0.00 175.52 176.49 2aiv h SER 54 N 0.38 1.09 -0.31 0.00 0.02 -1.93 -2.34 113.55 110.47 2aiv h SER 54 Ca 0.64 -0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 61.37 2aiv h SER 54 Cb 1.61 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.86 2aiv h SER 54 CO -0.35 0.84 -0.38 -0.07 -1.14 0.00 0.00 176.83 175.72 2aiv h LEU 55 N 1.26 0.91 0.00 5.07 3.38 -0.62 -3.46 115.31 121.84 2aiv h LEU 55 Ca 0.33 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2aiv h LEU 55 Cb -0.05 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.44 2aiv h LEU 55 CO -0.06 1.18 0.00 0.61 0.09 0.00 0.00 178.44 180.26 2aiv n GLY 56 N 0.09 2.98 0.00 0.83 0.00 -0.76 -5.13 105.19 103.20 2aiv n GLY 56 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2aiv n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aiv n GLY 57 N 0.54 -1.84 0.37 -0.02 0.00 -1.21 -4.80 105.19 98.23 2aiv n GLY 57 Ca 0.00 0.60 -0.02 0.00 0.00 0.00 0.00 46.02 46.60 2aiv n GLY 57 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2aiv h VAL 58 N 0.00 1.26 -1.51 1.61 2.07 -1.96 -3.45 116.25 114.27 2aiv h VAL 58 Ca 0.00 -0.50 -0.14 0.00 0.82 0.00 0.00 66.70 66.88 2aiv h VAL 58 Cb 0.00 -0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 29.57 2aiv h VAL 58 CO 0.00 0.26 -0.12 0.00 0.02 0.00 0.00 177.57 177.72 2aiv n ILE 59 N -4.37 0.00 -3.63 4.57 3.06 -1.26 -4.83 119.36 112.90 2aiv n ILE 59 Ca 0.11 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.35 2aiv n ILE 59 Cb 0.03 -0.67 -0.04 0.00 0.54 0.00 0.00 39.64 39.50 2aiv n ILE 59 CO 0.00 0.00 0.00 -0.51 -2.50 0.00 0.00 176.55 173.54 2aiv s ILE 60 N -1.51 -0.95 0.03 9.51 1.10 -1.26 -4.96 121.20 123.15 2aiv s ILE 60 Ca 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.15 2aiv s ILE 60 Cb 0.00 -1.00 -0.02 0.00 0.15 0.00 0.00 42.46 41.59 2aiv s ILE 60 CO 0.00 0.00 -0.05 0.42 -2.11 0.00 0.00 174.94 173.20 2aiv s THR 61 N 2.85 0.32 -0.16 4.00 -4.23 -1.18 -5.09 115.64 112.15 2aiv s THR 61 Ca -0.06 -0.93 -0.05 0.00 -1.18 0.00 0.00 61.69 59.48 2aiv s THR 61 Cb -0.11 -0.42 0.06 0.00 1.34 0.00 0.00 72.50 73.36 2aiv s THR 61 CO -0.19 -0.40 0.09 0.12 -0.54 0.00 0.00 174.62 173.70 2aiv s PHE 62 N -1.31 0.20 0.25 3.99 5.36 -1.26 -3.17 117.98 122.04 2aiv s PHE 62 Ca -0.12 -0.29 -0.30 0.00 -0.96 0.00 0.00 56.93 55.26 2aiv s PHE 62 Cb -0.09 -0.69 -0.09 0.00 -0.34 0.00 0.00 43.02 41.81 2aiv s PHE 62 CO -0.00 -0.50 0.98 -1.21 -1.46 0.00 0.00 175.22 173.03 2aiv s GLU 63 N 2.14 4.80 -0.53 10.12 0.41 0.26 -4.91 118.70 130.98 2aiv s GLU 63 Ca 0.02 1.57 -0.05 0.00 -0.41 0.00 0.00 54.97 56.11 2aiv s GLU 63 Cb -0.16 -3.26 -0.10 0.00 -1.78 0.00 0.00 34.13 28.83 2aiv s GLU 63 CO -0.09 0.44 2.24 -0.35 -0.49 0.00 0.00 175.26 177.01 2aiv n PRO 64 N 1.43 1.73 0.00 0.39 -0.04 -1.26 -1.68 135.00 135.57 2aiv n PRO 64 Ca -0.02 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 2aiv n PRO 64 Cb 0.46 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 2aiv n PRO 64 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2aiv n LYS 65 N 3.51 0.00 -3.76 0.54 4.76 -1.26 -4.97 118.16 116.99 2aiv n LYS 65 Ca 0.37 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.69 2aiv n LYS 65 Cb 0.32 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.43 2aiv n LYS 65 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2aiv s THR 66 N 0.00 0.07 -0.28 -0.18 2.01 -0.67 -5.02 115.64 111.57 2aiv s THR 66 Ca 0.00 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 61.27 2aiv s THR 66 Cb 0.00 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 2aiv s THR 66 CO 0.00 -0.34 0.19 0.00 -0.69 0.00 0.00 174.62 173.79 2aiv s ILE 68 N 1.76 2.10 -0.17 0.00 -1.09 -1.19 -4.95 121.20 117.67 2aiv s ILE 68 Ca 0.07 -0.93 -0.12 0.00 -2.23 0.00 0.00 60.65 57.44 2aiv s ILE 68 Cb -0.16 -1.88 -0.07 0.00 -1.58 0.00 0.00 42.46 38.77 2aiv s ILE 68 CO 0.11 0.54 -0.28 2.30 -1.23 0.00 0.00 174.94 176.38 2aiv n ILE 69 N 4.59 1.32 1.02 2.92 -0.00 -1.26 -3.12 119.36 124.82 2aiv n ILE 69 Ca -0.21 -0.05 0.12 0.00 -0.00 0.00 0.00 62.75 62.61 2aiv n ILE 69 Cb 0.50 -1.99 0.09 0.00 -0.00 0.00 0.00 39.64 38.24 2aiv n ILE 69 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 2aiv n TYR 70 N -4.11 0.00 -2.28 4.28 4.01 -1.26 -4.62 117.16 113.18 2aiv n TYR 70 Ca -0.27 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.45 2aiv n TYR 70 Cb 0.61 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 2aiv n TYR 70 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2aiv n ALA 71 N 0.92 -3.16 -3.44 -0.72 0.00 -1.26 -4.26 120.51 108.59 2aiv n ALA 71 Ca 0.13 0.51 -0.23 0.00 0.00 0.00 0.00 53.44 53.85 2aiv n ALA 71 Cb 0.55 -1.47 0.07 0.00 0.00 0.00 0.00 19.45 18.61 2aiv n ALA 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2aiv n ASN 72 N 0.02 -6.30 -4.56 0.00 5.03 -1.26 -4.89 115.26 103.30 2aiv n ASN 72 Ca 0.04 -0.47 -0.29 0.00 0.87 0.00 0.00 54.58 54.73 2aiv n ASN 72 Cb 0.14 -4.98 -0.05 0.00 -1.02 0.00 0.00 39.78 33.88 2aiv n ASN 72 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2aiv s LEU 73 N -7.09 3.18 -0.26 3.41 1.98 -1.26 -4.85 118.68 113.78 2aiv s LEU 73 Ca 0.51 -0.26 0.01 0.00 -2.89 0.00 0.00 54.13 51.50 2aiv s LEU 73 Cb -0.23 -2.55 0.30 0.00 0.66 0.00 0.00 46.19 44.38 2aiv s LEU 73 CO 0.63 -2.78 1.64 -0.81 -1.89 0.00 0.00 176.35 173.15 2aiv n PRO 74 N 8.94 1.70 -2.26 0.98 -0.04 -1.26 -4.80 135.00 138.26 2aiv n PRO 74 Ca 0.36 -1.56 -0.19 0.00 -0.04 0.00 0.00 63.50 62.07 2aiv n PRO 74 Cb 0.48 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 2aiv n PRO 74 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2aiv n ASN 75 N -0.13 -5.32 -0.13 3.54 3.02 -1.26 -4.89 115.26 110.10 2aiv n ASN 75 Ca 0.31 0.11 -0.05 0.00 -0.03 0.00 0.00 54.58 54.92 2aiv n ASN 75 Cb 0.93 -4.50 0.02 0.00 -0.61 0.00 0.00 39.78 35.61 2aiv n ASN 75 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2aiv h ARG 76 N 0.00 -0.06 0.00 3.52 3.08 -1.95 -3.40 114.38 115.57 2aiv h ARG 76 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2aiv h ARG 76 Cb 1.31 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.37 2aiv h ARG 76 CO 0.53 -0.04 0.00 -2.30 -1.07 0.00 0.00 179.97 177.09 2aiv n PRO 77 N -5.35 0.00 -3.69 0.04 -0.02 -1.26 -4.92 135.00 119.79 2aiv n PRO 77 Ca 0.03 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.22 2aiv n PRO 77 Cb 0.26 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 33.78 2aiv n PRO 77 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2aiv n LYS 78 N 0.00 -2.02 -0.24 -0.52 5.02 -1.26 -4.89 118.16 114.26 2aiv n LYS 78 Ca 0.00 0.50 -0.06 0.00 -2.02 0.00 0.00 58.31 56.73 2aiv n LYS 78 Cb 0.00 -4.42 0.08 0.00 -0.02 0.00 0.00 35.03 30.66 2aiv n LYS 78 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2aiv h ARG 79 N -1.83 1.09 0.00 1.97 0.11 -1.95 -3.40 114.38 110.38 2aiv h ARG 79 Ca -0.65 -0.25 0.00 0.00 0.10 0.00 0.00 59.98 59.18 2aiv h ARG 79 Cb 1.36 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2aiv h ARG 79 CO 0.51 0.95 -0.31 0.41 0.10 0.00 0.00 179.97 181.64 2aiv n GLY 80 N -0.73 0.00 3.33 0.08 0.00 -1.26 -5.08 105.19 101.54 2aiv n GLY 80 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2aiv n GLY 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2aiv s GLU 81 N -1.31 2.15 -0.02 1.61 -1.05 -1.26 -5.13 118.70 113.68 2aiv s GLU 81 Ca 0.00 -0.91 0.05 0.00 -0.15 0.00 0.00 54.97 53.96 2aiv s GLU 81 Cb 0.00 -2.08 -0.03 0.00 -0.44 0.00 0.00 34.13 31.58 2aiv s GLU 81 CO 0.00 0.57 -0.17 0.20 0.95 0.00 0.00 175.26 176.81 2aiv s GLY 82 N -0.65 1.50 -0.28 -3.83 0.00 -1.26 -4.16 107.32 98.64 2aiv s GLY 82 Ca 0.10 -1.05 -0.11 0.00 0.00 0.00 0.00 44.72 43.66 2aiv s GLY 82 CO -0.01 -0.87 0.20 -0.42 0.00 0.00 0.00 173.10 172.00 2aiv s ILE 83 N -0.77 5.30 -0.23 0.90 1.01 -1.26 -4.52 121.20 121.64 2aiv s ILE 83 Ca 0.12 0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.86 2aiv s ILE 83 Cb -0.10 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 2aiv s ILE 83 CO 0.02 0.25 0.14 0.20 0.00 0.00 0.00 174.94 175.55 2aiv s ASN 84 N 1.75 6.09 -0.43 3.58 0.01 -1.26 -4.98 114.94 119.70 2aiv s ASN 84 Ca 0.07 0.14 0.05 0.00 -0.71 0.00 0.00 52.86 52.40 2aiv s ASN 84 Cb -0.16 -2.09 0.58 0.00 0.41 0.00 0.00 41.25 39.99 2aiv s ASN 84 CO 0.11 0.10 1.77 1.33 -1.51 0.00 0.00 177.10 178.90 2aiv n VAL 85 N 4.04 3.04 -1.00 1.60 0.24 -1.26 -4.63 118.33 120.36 2aiv n VAL 85 Ca -0.15 -2.44 -0.37 0.00 -2.04 0.00 0.00 64.34 59.34 2aiv n VAL 85 Cb 0.52 -0.56 -0.05 0.00 -1.47 0.00 0.00 33.84 32.29 2aiv n VAL 85 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2aiv n ARG 86 N -1.09 1.60 -4.60 7.34 1.74 -1.26 -4.59 116.66 115.80 2aiv n ARG 86 Ca 0.52 -1.70 -0.27 0.00 -0.77 0.00 0.00 57.85 55.63 2aiv n ARG 86 Cb 1.30 -2.76 -0.10 0.00 -1.02 0.00 0.00 32.46 29.87 2aiv n ARG 86 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2aiv s ALA 87 N 4.60 3.11 -0.18 7.54 0.00 -1.26 -4.22 121.76 131.36 2aiv s ALA 87 Ca 0.51 -2.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.35 2aiv s ALA 87 Cb 0.13 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.46 2aiv s ALA 87 CO 0.08 -0.15 0.14 1.03 0.00 0.00 0.00 175.76 176.86 2aiv s ARG 88 N -3.76 4.07 -0.23 0.00 0.52 -0.72 -3.99 118.95 114.84 2aiv s ARG 88 Ca 0.32 -0.19 -0.05 0.00 -0.52 0.00 0.00 55.73 55.29 2aiv s ARG 88 Cb 0.09 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 2aiv s ARG 88 CO 0.16 0.38 -0.01 -1.50 0.02 0.00 0.00 175.30 174.35 2aiv s ILE 89 N 0.13 3.70 -0.27 1.52 2.07 -0.34 -2.22 121.20 125.79 2aiv s ILE 89 Ca 0.10 -0.38 -0.10 0.00 -1.41 0.00 0.00 60.65 58.85 2aiv s ILE 89 Cb -0.11 -2.70 -0.05 0.00 0.13 0.00 0.00 42.46 39.74 2aiv s ILE 89 CO -0.01 0.40 0.16 -0.89 -1.91 0.00 0.00 174.94 172.70 2aiv s THR 90 N 1.47 5.11 -0.11 4.00 2.01 -1.08 -2.69 115.64 124.35 2aiv s THR 90 Ca 0.05 0.10 -0.08 0.00 0.31 0.00 0.00 61.69 62.08 2aiv s THR 90 Cb -0.15 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 2aiv s THR 90 CO -0.01 0.27 0.16 0.00 -0.69 0.00 0.00 174.62 174.36 2aiv n PHE 92 N 1.99 -3.17 -2.59 0.00 -1.74 -1.26 -3.11 117.46 107.59 2aiv n PHE 92 Ca -0.19 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.27 2aiv n PHE 92 Cb 0.55 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.53 2aiv n PHE 92 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 2aiv s ASN 93 N -1.00 6.61 -0.06 5.98 -0.87 -1.26 -4.76 114.94 119.58 2aiv s ASN 93 Ca 0.00 0.47 0.09 0.00 -1.57 0.00 0.00 52.86 51.84 2aiv s ASN 93 Cb 0.00 -2.55 0.13 0.00 -0.02 0.00 0.00 41.25 38.81 2aiv s ASN 93 CO 0.00 -1.27 1.07 0.00 -2.57 0.00 0.00 177.10 174.32 2aiv h TYR 95 N 0.01 0.58 -3.34 0.00 3.20 -1.88 -3.29 116.97 112.25 2aiv h TYR 95 Ca -0.00 0.02 -0.70 0.00 3.14 0.00 0.00 58.73 61.20 2aiv h TYR 95 Cb 1.22 -0.16 -0.36 0.00 1.54 0.00 0.00 36.73 38.98 2aiv h TYR 95 CO 0.06 -0.08 -0.19 -1.25 -1.64 0.00 0.00 178.16 175.06 2aiv s PRO 96 N -5.39 3.08 -0.48 1.82 0.04 -1.26 -2.78 135.00 130.04 2aiv s PRO 96 Ca -0.08 -3.15 0.06 0.00 0.04 0.00 0.00 61.00 57.86 2aiv s PRO 96 Cb 0.28 -3.87 0.25 0.00 0.04 0.00 0.00 34.50 31.20 2aiv s PRO 96 CO 0.81 -1.25 0.93 0.28 0.04 0.00 0.00 177.00 177.81 2aiv n VAL 97 N 2.50 0.00 -1.94 -0.36 0.31 -0.70 -4.00 118.33 114.14 2aiv n VAL 97 Ca 0.19 -1.47 -0.42 0.00 -0.01 0.00 0.00 64.34 62.62 2aiv n VAL 97 Cb 0.37 1.49 -0.03 0.00 -0.91 0.00 0.00 33.84 34.76 2aiv n VAL 97 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2aiv s ASP 98 N -1.60 6.60 0.42 4.52 -1.08 -0.47 -4.68 116.67 120.38 2aiv s ASP 98 Ca 0.31 2.58 0.21 0.00 -0.52 0.00 0.00 52.55 55.13 2aiv s ASP 98 Cb 0.24 -2.59 0.88 0.00 -1.46 0.00 0.00 42.92 39.99 2aiv s ASP 98 CO -0.22 -0.83 1.83 0.07 0.52 0.00 0.00 175.17 176.54 2aiv h LYS 99 N 7.05 0.00 0.38 4.34 2.10 -1.88 0.44 116.57 129.00 2aiv h LYS 99 Ca -0.43 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.21 2aiv h LYS 99 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2aiv h LYS 99 CO 0.91 0.29 -0.18 0.66 -2.00 0.00 0.00 179.45 179.13 2aiv h SER 100 N 0.00 -0.43 0.00 7.07 4.64 -1.96 -3.39 113.55 119.48 2aiv h SER 100 Ca -0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2aiv h SER 100 Cb 0.74 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2aiv h SER 100 CO 0.04 -0.01 -0.20 0.35 -0.87 0.00 0.00 176.83 176.14 2aiv n THR 101 N -5.14 1.12 -1.95 2.95 -2.24 -1.25 -4.95 114.28 102.81 2aiv n THR 101 Ca -0.09 -1.34 -0.18 0.00 -2.27 0.00 0.00 64.05 60.17 2aiv n THR 101 Cb 0.28 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 2aiv n THR 101 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2aiv n ARG 102 N -0.85 -1.37 -2.10 -0.78 1.74 0.15 -4.90 116.66 108.55 2aiv n ARG 102 Ca 0.09 1.01 -0.32 0.00 -0.77 0.00 0.00 57.85 57.86 2aiv n ARG 102 Cb 0.66 -5.41 -0.04 0.00 -1.02 0.00 0.00 32.46 26.64 2aiv n ARG 102 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2aiv s LYS 103 N -4.25 2.68 -0.55 5.56 -0.14 -1.16 -4.33 119.74 117.55 2aiv s LYS 103 Ca 0.00 -0.05 -0.05 0.00 -1.36 0.00 0.00 55.97 54.51 2aiv s LYS 103 Cb 0.00 -4.82 -0.19 0.00 -1.68 0.00 0.00 37.83 31.14 2aiv s LYS 103 CO 0.00 -3.03 1.28 -2.30 -0.76 0.00 0.00 175.35 170.54 2aiv n PRO 104 N 8.99 0.00 0.00 -1.68 -0.02 -1.26 -1.36 135.00 139.67 2aiv n PRO 104 Ca 0.31 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2aiv n PRO 104 Cb 0.49 -0.65 0.00 0.00 -0.02 0.00 0.00 33.50 33.32 2aiv n PRO 104 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2aiv n ILE 105 N 3.47 0.00 -3.55 4.25 -6.64 -1.12 -4.48 119.36 111.29 2aiv n ILE 105 Ca 0.37 0.00 -0.22 0.00 -1.77 0.00 0.00 62.75 61.14 2aiv n ILE 105 Cb 0.13 0.00 0.08 0.00 -1.44 0.00 0.00 39.64 38.41 2aiv n ILE 105 CO 0.00 0.00 0.00 2.29 -1.77 0.00 0.00 176.55 177.07 2aiv n LYS 106 N 0.00 -7.41 -4.06 6.28 2.85 -1.23 -1.71 118.16 112.88 2aiv n LYS 106 Ca 0.00 0.83 -0.07 0.00 -1.05 0.00 0.00 58.31 58.01 2aiv n LYS 106 Cb 0.00 -5.86 -0.10 0.00 -0.65 0.00 0.00 35.03 28.42 2aiv n LYS 106 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2aiv s ASP 107 N -3.70 0.43 -0.45 -5.58 1.01 -1.23 -4.90 116.67 102.25 2aiv s ASP 107 Ca 0.37 -0.93 0.02 0.00 0.71 0.00 0.00 52.55 52.72 2aiv s ASP 107 Cb -0.17 0.21 0.53 0.00 1.01 0.00 0.00 42.92 44.50 2aiv s ASP 107 CO 0.73 -0.59 1.88 -0.81 0.21 0.00 0.00 175.17 176.59 2aiv n PRO 108 N 0.19 2.21 -0.34 8.23 -0.04 -1.19 -3.14 135.00 140.92 2aiv n PRO 108 Ca -0.15 -2.71 -0.02 0.00 -0.04 0.00 0.00 63.50 60.58 2aiv n PRO 108 Cb 0.61 -2.06 0.12 0.00 -0.04 0.00 0.00 33.50 32.12 2aiv n PRO 108 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2aiv h ASN 109 N 1.19 1.11 0.00 3.54 -0.73 -1.88 -3.16 115.58 115.65 2aiv h ASN 109 Ca 0.55 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.67 2aiv h ASN 109 Cb 2.08 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 40.39 2aiv h ASN 109 CO 1.10 0.84 0.00 0.00 -0.37 0.00 0.00 177.43 179.00 2aiv n HIS 110 N -4.37 -4.19 -0.36 0.67 1.44 -1.26 -4.72 115.22 102.42 2aiv n HIS 110 Ca 0.11 1.23 -0.00 0.00 -2.01 0.00 0.00 57.72 57.05 2aiv n HIS 110 Cb 0.04 3.18 0.13 0.00 0.12 0.00 0.00 29.99 33.47 2aiv n HIS 110 CO 0.00 0.00 0.00 0.37 -2.81 0.00 0.00 176.34 173.90 2aiv h GLN 111 N 0.00 1.20 -0.21 -1.40 4.15 -1.87 -3.00 115.11 113.98 2aiv h GLN 111 Ca 0.00 -0.07 -0.15 0.00 0.77 0.00 0.00 58.65 59.20 2aiv h GLN 111 Cb 0.00 -0.27 -0.11 0.00 0.21 0.00 0.00 27.48 27.31 2aiv h GLN 111 CO 0.00 0.79 -0.51 1.28 -1.93 0.00 0.00 178.83 178.46 2aiv n LEU 112 N -4.46 3.39 -0.02 -2.39 4.32 -1.19 -4.77 117.00 111.89 2aiv n LEU 112 Ca 0.13 -4.09 -0.13 0.00 -0.02 0.00 0.00 56.01 51.90 2aiv n LEU 112 Cb 0.09 -0.50 -0.10 0.00 -1.62 0.00 0.00 43.42 41.29 2aiv n LEU 112 CO 0.35 1.55 0.62 1.62 -1.22 0.00 0.00 177.39 180.30 2aiv h VAL 113 N 1.26 1.41 -0.03 4.08 3.04 -1.49 -1.80 116.25 122.72 2aiv h VAL 113 Ca 0.11 -1.23 -0.10 0.00 -1.01 0.00 0.00 66.70 64.47 2aiv h VAL 113 Cb 1.18 2.21 -0.01 0.00 -2.01 0.00 0.00 31.29 32.66 2aiv h VAL 113 CO 0.22 0.33 -0.46 0.07 -1.01 0.00 0.00 177.57 176.72 2aiv h LYS 114 N -0.46 0.08 0.10 4.17 2.10 -1.84 0.08 116.57 120.80 2aiv h LYS 114 Ca 0.00 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 2aiv h LYS 114 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 2aiv h LYS 114 CO 0.00 0.52 -0.05 0.00 -2.00 0.00 0.00 179.45 177.93 2aiv h ARG 115 N 0.06 -0.13 -0.25 0.07 2.47 -1.88 -2.54 114.38 112.18 2aiv h ARG 115 Ca 0.00 0.01 -0.18 0.00 -1.26 0.00 0.00 59.98 58.55 2aiv h ARG 115 Cb 0.84 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.19 2aiv h ARG 115 CO 0.06 0.31 -0.56 0.45 0.56 0.00 0.00 179.97 180.79 2aiv h HIS 116 N -0.64 0.96 -0.86 3.04 3.86 -1.34 -3.15 115.15 117.02 2aiv h HIS 116 Ca -0.01 -0.34 -0.01 0.00 -1.16 0.00 0.00 60.37 58.84 2aiv h HIS 116 Cb 0.51 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.76 2aiv h HIS 116 CO 0.08 1.14 0.48 0.97 0.86 0.00 0.00 177.93 181.47 2aiv h ILE 117 N 0.58 1.25 -0.75 2.45 6.09 -1.06 -2.48 117.51 123.59 2aiv h ILE 117 Ca 0.01 -0.59 -0.03 0.00 -1.37 0.00 0.00 64.86 62.88 2aiv h ILE 117 Cb 1.15 0.07 -0.03 0.00 0.47 0.00 0.00 36.82 38.47 2aiv h ILE 117 CO 0.12 0.27 0.34 -0.08 -3.07 0.00 0.00 178.15 175.73 2aiv h GLU 118 N 1.19 1.08 -0.97 2.19 4.81 -1.42 -2.16 114.58 119.31 2aiv h GLU 118 Ca 0.30 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2aiv h GLU 118 Cb 0.00 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.15 2aiv h GLU 118 CO -0.05 0.86 0.61 -0.09 -0.73 0.00 0.00 179.01 179.60 2aiv h ARG 119 N 1.05 1.29 -0.82 1.92 2.43 -1.42 -2.22 114.38 116.61 2aiv h ARG 119 Ca 0.25 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2aiv h ARG 119 Cb 0.14 -0.28 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 2aiv h ARG 119 CO -0.03 0.88 0.46 -0.07 -1.51 0.00 0.00 179.97 179.70 2aiv h LEU 120 N 1.32 1.02 -0.97 3.80 3.38 -1.00 -2.34 115.31 120.52 2aiv h LEU 120 Ca 0.35 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2aiv h LEU 120 Cb -0.10 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.35 2aiv h LEU 120 CO -0.07 0.82 0.57 0.11 0.09 0.00 0.00 178.44 179.96 2aiv h LYS 121 N 1.14 1.28 -0.78 1.13 1.57 -0.86 -2.29 116.57 117.75 2aiv h LYS 121 Ca 0.29 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 2aiv h LYS 121 Cb 0.02 -0.27 -0.04 0.00 0.08 0.00 0.00 32.23 32.03 2aiv h LYS 121 CO -0.05 0.89 0.39 0.87 -0.57 0.00 0.00 179.45 180.98 2aiv h LYS 122 N 1.30 1.11 -5.90 3.15 1.79 -1.05 -3.39 116.57 113.59 2aiv h LYS 122 Ca 0.34 -0.15 -0.44 0.00 -2.18 0.00 0.00 60.65 58.22 2aiv h LYS 122 Cb -0.06 -0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 30.35 2aiv h LYS 122 CO -0.06 0.85 1.20 -0.80 -1.08 0.00 0.00 179.45 179.55 2aiv s ASN 123 N -6.36 5.20 -0.18 0.86 -0.87 -0.86 -4.85 114.94 107.88 2aiv s ASN 123 Ca -0.12 0.11 0.01 0.00 -1.57 0.00 0.00 52.86 51.29 2aiv s ASN 123 Cb 0.17 -2.54 0.22 0.00 -0.02 0.00 0.00 41.25 39.08 2aiv s ASN 123 CO 0.82 -2.50 1.50 -0.81 -2.57 0.00 0.00 177.10 173.54 2aiv n PRO 124 N 9.10 1.48 -0.02 -0.60 -0.04 -1.26 -3.80 135.00 139.87 2aiv n PRO 124 Ca 0.26 -1.09 0.06 0.00 -0.04 0.00 0.00 63.50 62.68 2aiv n PRO 124 Cb 0.51 -1.43 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 2aiv n PRO 124 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2aiv n ASN 125 N 0.10 0.15 -4.20 3.54 5.15 -1.26 -4.96 115.26 113.77 2aiv n ASN 125 Ca 0.22 0.06 -0.17 0.00 -0.60 0.00 0.00 54.58 54.08 2aiv n ASN 125 Cb 0.83 1.49 -0.11 0.00 -0.53 0.00 0.00 39.78 41.45 2aiv n ASN 125 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2aiv s SER 126 N -4.91 1.77 -0.27 1.20 1.04 -1.25 -4.43 113.70 106.85 2aiv s SER 126 Ca -0.07 -0.74 -0.13 0.00 0.48 0.00 0.00 55.95 55.49 2aiv s SER 126 Cb 0.11 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 2aiv s SER 126 CO 0.87 -0.14 0.29 -0.54 0.98 0.00 0.00 173.24 174.71 2aiv s LYS 127 N -2.33 4.00 -0.10 4.02 1.02 -0.70 -4.97 119.74 120.68 2aiv s LYS 127 Ca 0.04 -0.11 -0.30 0.00 0.02 0.00 0.00 55.97 55.63 2aiv s LYS 127 Cb -0.06 -3.65 -0.03 0.00 -0.52 0.00 0.00 37.83 33.57 2aiv s LYS 127 CO 0.02 -0.21 1.28 0.12 -0.92 0.00 0.00 175.35 175.63 2aiv s PHE 128 N 1.87 2.92 0.00 3.18 2.19 -1.26 -1.85 117.98 125.04 2aiv s PHE 128 Ca 0.12 1.02 0.00 0.00 0.33 0.00 0.00 56.93 58.39 2aiv s PHE 128 Cb -0.16 -3.51 0.00 0.00 -1.31 0.00 0.00 43.02 38.04 2aiv s PHE 128 CO 0.10 -1.77 0.00 -1.91 1.83 0.00 0.00 175.22 173.47 2aiv n GLU 129 N 5.99 0.00 -3.51 10.12 2.13 -1.01 -4.98 120.64 129.38 2aiv n GLU 129 Ca 0.13 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.86 2aiv n GLU 129 Cb 0.45 -0.21 -0.03 0.00 0.27 0.00 0.00 31.44 31.92 2aiv n GLU 129 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2aiv s SER 130 N -1.04 -0.38 0.03 4.31 1.04 -1.01 -5.05 113.70 111.60 2aiv s SER 130 Ca 0.00 0.07 -0.00 0.00 0.48 0.00 0.00 55.95 56.50 2aiv s SER 130 Cb 0.00 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 2aiv s SER 130 CO 0.00 -0.60 -0.03 -0.72 0.98 0.00 0.00 173.24 172.87 2aiv s TYR 131 N -2.84 0.31 -0.25 5.02 1.13 -1.26 -1.47 117.35 117.99 2aiv s TYR 131 Ca 0.03 -0.64 -0.08 0.00 -1.41 0.00 0.00 57.07 54.98 2aiv s TYR 131 Cb -0.01 -0.23 -0.03 0.00 -1.10 0.00 0.00 41.96 40.59 2aiv s TYR 131 CO -0.07 -0.23 0.08 -0.51 -2.51 0.00 0.00 175.55 172.31 2aiv s ASP 132 N -1.77 5.24 0.17 -0.18 -0.00 -0.24 -4.98 116.67 114.92 2aiv s ASP 132 Ca -0.11 -0.18 -0.10 0.00 -0.00 0.00 0.00 52.55 52.16 2aiv s ASP 132 Cb -0.06 -1.95 0.04 0.00 -0.00 0.00 0.00 42.92 40.96 2aiv s ASP 132 CO -0.03 -0.03 1.61 0.00 -0.00 0.00 0.00 175.17 176.71 2aiv h ALA 133 N 8.23 0.78 -0.84 5.23 0.00 -1.92 0.93 119.26 131.67 2aiv h ALA 133 Ca -0.38 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.19 2aiv h ALA 133 Cb 1.18 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2aiv h ALA 133 CO 0.58 0.67 0.52 0.38 0.00 0.00 0.00 179.25 181.40 2aiv h ASP 134 N 0.94 1.00 0.04 0.00 2.03 -1.93 -2.83 116.42 115.68 2aiv h ASP 134 Ca 0.15 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 2aiv h ASP 134 Cb 0.65 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 38.90 2aiv h ASP 134 CO 0.04 0.77 -0.73 -1.54 -1.03 0.00 0.00 179.24 176.75 2aiv n SER 135 N -4.45 1.35 -0.71 4.15 3.41 -1.17 -4.96 113.62 111.24 2aiv n SER 135 Ca 0.09 -1.13 -0.09 0.00 -0.26 0.00 0.00 58.87 57.47 2aiv n SER 135 Cb 0.05 0.71 -0.04 0.00 -0.26 0.00 0.00 64.21 64.67 2aiv n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aiv n GLY 136 N 1.46 0.95 3.75 5.00 0.00 0.32 -4.58 105.19 112.09 2aiv n GLY 136 Ca 0.06 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2aiv n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aiv s THR 137 N -1.95 4.08 -0.14 2.61 2.01 -0.91 -4.72 115.64 116.63 2aiv s THR 137 Ca 0.00 2.02 0.02 0.00 0.31 0.00 0.00 61.69 64.04 2aiv s THR 137 Cb 0.00 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.23 2aiv s THR 137 CO 0.00 0.45 -0.20 -0.47 -0.69 0.00 0.00 174.62 173.71 2aiv s TYR 138 N -0.95 2.70 -0.12 4.92 5.04 -1.18 -1.08 117.35 126.68 2aiv s TYR 138 Ca 0.43 -1.15 0.03 0.00 -2.44 0.00 0.00 57.07 53.94 2aiv s TYR 138 Cb -0.26 -1.82 0.01 0.00 0.35 0.00 0.00 41.96 40.23 2aiv s TYR 138 CO 0.33 -0.51 -0.23 0.08 -1.34 0.00 0.00 175.55 173.88 2aiv s VAL 139 N 0.70 2.08 0.11 3.14 1.01 -0.54 -1.22 120.40 125.68 2aiv s VAL 139 Ca -0.09 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 60.76 2aiv s VAL 139 Cb -0.16 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.44 2aiv s VAL 139 CO 0.01 0.55 0.34 0.72 0.00 0.00 0.00 175.10 176.73 2aiv s PHE 140 N 0.60 -0.11 -0.18 5.22 -0.71 -1.09 -2.39 117.98 119.31 2aiv s PHE 140 Ca -0.12 -0.24 0.01 0.00 -1.04 0.00 0.00 56.93 55.53 2aiv s PHE 140 Cb -0.17 0.17 0.02 0.00 -1.21 0.00 0.00 43.02 41.83 2aiv s PHE 140 CO 0.03 -0.66 -0.19 0.42 -1.34 0.00 0.00 175.22 173.48 2aiv s ILE 141 N -3.81 2.10 -1.46 -4.49 1.01 -0.77 -1.20 121.20 112.59 2aiv s ILE 141 Ca 0.03 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 2aiv s ILE 141 Cb 0.03 -1.89 0.04 0.00 0.01 0.00 0.00 42.46 40.64 2aiv s ILE 141 CO -0.12 0.52 2.39 0.52 0.00 0.00 0.00 174.94 178.26 2aiv n VAL 142 N 4.62 4.10 -2.60 2.92 0.31 -1.26 -1.71 118.33 124.71 2aiv n VAL 142 Ca -0.21 -3.32 -0.43 0.00 -0.01 0.00 0.00 64.34 60.37 2aiv n VAL 142 Cb 0.50 -2.50 -0.02 0.00 -0.91 0.00 0.00 33.84 30.91 2aiv n VAL 142 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2aiv s ASN 143 N 2.09 6.63 -0.08 4.52 4.22 -1.26 -4.63 114.94 126.43 2aiv s ASN 143 Ca 0.53 0.47 0.12 0.00 -2.14 0.00 0.00 52.86 51.83 2aiv s ASN 143 Cb 0.15 -2.55 0.18 0.00 1.28 0.00 0.00 41.25 40.31 2aiv s ASN 143 CO -0.06 -1.25 1.07 0.00 -2.04 0.00 0.00 177.10 174.81 2aiv n HIS 144 N 7.84 0.00 -0.37 1.54 1.44 -1.26 -4.78 115.22 119.63 2aiv n HIS 144 Ca 0.12 -0.71 -0.02 0.00 -2.01 0.00 0.00 57.72 55.10 2aiv n HIS 144 Cb 0.49 -0.11 0.11 0.00 0.12 0.00 0.00 29.99 30.60 2aiv n HIS 144 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2aiv h ALA 145 N 0.00 1.27 -2.87 1.59 0.00 -1.96 -3.39 119.26 113.90 2aiv h ALA 145 Ca 0.00 -0.07 -0.64 0.00 0.00 0.00 0.00 54.91 54.20 2aiv h ALA 145 Cb 0.96 -0.40 -0.17 0.00 0.00 0.00 0.00 17.79 18.19 2aiv h ALA 145 CO 0.00 0.64 -0.47 0.00 0.00 0.00 0.00 179.25 179.42 2aiv s ALA 146 N -6.12 3.54 0.24 0.00 0.00 -1.26 -4.97 121.76 113.19 2aiv s ALA 146 Ca -0.13 -1.05 -0.06 0.00 0.00 0.00 0.00 51.96 50.72 2aiv s ALA 146 Cb 0.18 -2.52 0.25 0.00 0.00 0.00 0.00 23.12 21.03 2aiv s ALA 146 CO 0.82 -0.57 1.85 0.93 0.00 0.00 0.00 175.76 178.79 2aiv h GLU 147 N 8.34 1.19 -4.55 0.00 5.08 -1.99 -3.37 114.58 119.28 2aiv h GLU 147 Ca -0.34 -0.15 -0.71 0.00 -1.00 0.00 0.00 59.36 57.15 2aiv h GLU 147 Cb 1.19 -0.23 -0.21 0.00 0.50 0.00 0.00 28.75 30.00 2aiv h GLU 147 CO 0.57 0.89 -0.45 -0.65 -1.00 0.00 0.00 179.01 178.37 2aiv s GLN 148 N -5.73 3.03 0.00 2.33 -0.21 -1.26 -5.18 119.66 112.64 2aiv s GLN 148 Ca -0.12 -0.97 0.23 0.00 0.02 0.00 0.00 55.36 54.52 2aiv s GLN 148 Cb 0.17 -3.91 1.35 0.00 1.00 0.00 0.00 33.01 31.61 2aiv s GLN 148 CO 0.83 -0.69 1.72 2.41 -2.12 0.00 0.00 175.29 177.43