#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 1.49 -2.65 1.61 -0.04 -1.26 -4.91 135.00 129.24 2aiv n PRO 2 Ca 0.00 -1.14 -0.43 0.00 -0.04 0.00 0.00 63.50 61.89 2aiv n PRO 2 Cb 0.00 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 31.99 2aiv n PRO 2 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2aiv s ASN 3 N 0.19 7.16 -0.55 3.54 3.84 -1.26 -5.00 114.94 122.86 2aiv s ASN 3 Ca 0.22 1.48 -0.21 0.00 0.21 0.00 0.00 52.86 54.56 2aiv s ASN 3 Cb 0.18 -2.55 0.06 0.00 -0.55 0.00 0.00 41.25 38.39 2aiv s ASN 3 CO 0.04 -0.57 0.78 -1.61 -2.79 0.00 0.00 177.10 172.95 2aiv s GLU 4 N 2.63 3.17 0.21 0.43 2.02 -1.26 -4.90 118.70 121.01 2aiv s GLU 4 Ca 0.47 -0.74 -0.06 0.00 0.02 0.00 0.00 54.97 54.66 2aiv s GLU 4 Cb -0.17 -4.12 0.17 0.00 0.10 0.00 0.00 34.13 30.11 2aiv s GLU 4 CO 0.12 -1.43 1.67 -0.97 0.02 0.00 0.00 175.26 174.68 2aiv h ASN 5 N 9.20 0.91 -3.32 -0.19 -0.73 -1.98 -3.43 115.58 116.04 2aiv h ASN 5 Ca -0.27 -0.26 -0.65 0.00 1.87 0.00 0.00 56.30 56.98 2aiv h ASN 5 Cb 1.08 -0.25 -0.11 0.00 0.27 0.00 0.00 38.32 39.31 2aiv h ASN 5 CO 1.05 1.00 -0.65 -0.72 -0.37 0.00 0.00 177.43 177.74 2aiv s TYR 6 N -4.92 3.04 0.12 0.67 1.13 -1.26 -4.38 117.35 111.75 2aiv s TYR 6 Ca -0.11 0.00 0.03 0.00 -1.41 0.00 0.00 57.07 55.59 2aiv s TYR 6 Cb 0.14 -1.56 -0.04 0.00 -1.10 0.00 0.00 41.96 39.39 2aiv s TYR 6 CO 0.84 0.49 -0.09 1.52 -2.51 0.00 0.00 175.55 175.80 2aiv s TYR 7 N -1.31 1.12 0.42 -3.49 1.13 -1.21 -5.04 117.35 108.96 2aiv s TYR 7 Ca 0.26 -0.79 0.03 0.00 -1.41 0.00 0.00 57.07 55.16 2aiv s TYR 7 Cb -0.12 -0.59 -0.03 0.00 -1.10 0.00 0.00 41.96 40.12 2aiv s TYR 7 CO 0.18 -0.00 0.08 0.42 -2.51 0.00 0.00 175.55 173.72 2aiv s ILE 8 N -3.29 0.87 -1.32 -3.49 -1.09 -1.25 -3.63 121.20 108.01 2aiv s ILE 8 Ca 0.13 -2.00 -0.07 0.00 -2.23 0.00 0.00 60.65 56.48 2aiv s ILE 8 Cb 0.03 -2.39 0.13 0.00 -1.58 0.00 0.00 42.46 38.65 2aiv s ILE 8 CO -0.01 0.00 2.20 -1.20 -1.23 0.00 0.00 174.94 174.70 2aiv n SER 9 N -1.20 6.87 -1.28 3.58 7.64 -0.84 -2.55 113.62 125.84 2aiv n SER 9 Ca -0.09 -3.11 -0.08 0.00 1.01 0.00 0.00 58.87 56.60 2aiv n SER 9 Cb 0.66 -1.42 0.15 0.00 -1.01 0.00 0.00 64.21 62.59 2aiv n SER 9 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2aiv n PRO 10 N 2.66 2.29 0.00 1.43 -0.04 -1.26 -4.58 135.00 135.50 2aiv n PRO 10 Ca 0.54 -3.51 0.00 0.00 -0.04 0.00 0.00 63.50 60.49 2aiv n PRO 10 Cb 0.29 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 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 -1.00 0.00 -0.11 3.54 2.88 -1.06 -4.65 113.62 113.22 2aiv n SER 11 Ca 0.33 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.78 2aiv n SER 11 Cb 0.88 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.33 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 0.44 0.03 2.46 4.07 -1.94 0.22 115.31 120.59 2aiv h LEU 12 Ca 0.00 -0.06 -0.11 0.00 0.08 0.00 0.00 57.88 57.78 2aiv h LEU 12 Cb 0.00 -0.11 0.01 0.00 1.08 0.00 0.00 40.66 41.64 2aiv h LEU 12 CO 0.00 0.37 -0.46 0.44 -1.08 0.00 0.00 178.44 177.71 2aiv h ASP 13 N 0.46 0.35 -0.66 -0.43 3.32 -1.92 -3.27 116.42 114.26 2aiv h ASP 13 Ca 0.13 -0.84 0.03 0.00 0.02 0.00 0.00 57.03 56.37 2aiv h ASP 13 Cb 0.02 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 2aiv h ASP 13 CO -0.02 1.15 0.44 0.74 -1.72 0.00 0.00 179.24 179.82 2aiv h THR 14 N -0.41 1.11 -0.97 0.35 2.02 -1.81 -2.04 112.91 111.15 2aiv h THR 14 Ca -0.07 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 66.85 2aiv h THR 14 Cb 1.25 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 2aiv h THR 14 CO 0.09 0.15 0.64 0.25 0.37 0.00 0.00 175.52 177.02 2aiv h LEU 15 N 0.81 1.11 -2.97 2.58 5.85 -0.63 -1.16 115.31 120.90 2aiv h LEU 15 Ca 0.26 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2aiv h LEU 15 Cb 0.04 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 2aiv h LEU 15 CO -0.07 0.80 0.00 0.77 -0.34 0.00 0.00 178.44 179.60 2aiv h SER 16 N 1.31 0.00 0.28 1.25 4.64 -1.41 0.21 113.55 119.82 2aiv h SER 16 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2aiv h SER 16 Cb -0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2aiv h SER 16 CO -0.08 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.68 2aiv n SER 17 N -3.12 0.00 -4.76 4.97 7.64 -0.44 -4.81 113.62 113.12 2aiv n SER 17 Ca -0.03 0.01 -0.39 0.00 1.01 0.00 0.00 58.87 59.47 2aiv n SER 17 Cb 0.07 -0.26 0.03 0.00 -1.01 0.00 0.00 64.21 63.04 2aiv n SER 17 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2aiv n TYR 18 N -1.26 2.52 -0.85 1.43 4.02 0.06 -5.01 117.16 118.07 2aiv n TYR 18 Ca 0.08 0.43 -0.17 0.00 -0.01 0.00 0.00 57.90 58.23 2aiv n TYR 18 Cb 0.12 -2.41 0.14 0.00 -0.02 0.00 0.00 39.34 37.17 2aiv n TYR 18 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2aiv n SER 19 N -0.68 -1.52 -0.15 7.72 7.64 -1.26 -4.48 113.62 120.89 2aiv n SER 19 Ca 0.08 -0.89 -0.07 0.00 1.01 0.00 0.00 58.87 59.00 2aiv n SER 19 Cb 0.43 -0.56 0.02 0.00 -1.01 0.00 0.00 64.21 63.09 2aiv n SER 19 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2aiv h LEU 20 N 0.00 0.50 -0.37 -3.43 3.38 -1.99 -0.26 115.31 113.15 2aiv h LEU 20 Ca -0.23 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.57 2aiv h LEU 20 Cb 0.70 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2aiv h LEU 20 CO 0.15 0.36 -0.41 0.25 0.09 0.00 0.00 178.44 178.88 2aiv h LEU 21 N 0.60 1.00 -0.43 1.67 6.46 -1.96 -2.38 115.31 120.27 2aiv h LEU 21 Ca 0.18 -0.48 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 2aiv h LEU 21 Cb -0.04 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 39.59 2aiv h LEU 21 CO -0.05 1.28 0.24 1.56 -0.62 0.00 0.00 178.44 180.85 2aiv h GLN 22 N 0.74 0.59 -0.41 1.25 1.08 -1.72 -0.43 115.11 116.21 2aiv h GLN 22 Ca 0.05 -0.06 -0.15 0.00 -1.45 0.00 0.00 58.65 57.04 2aiv h GLN 22 Cb 1.01 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 2aiv h GLN 22 CO 0.10 0.46 -0.33 -0.07 -0.95 0.00 0.00 178.83 178.03 2aiv h LEU 23 N 0.56 1.00 -0.80 1.46 3.38 -1.09 -2.78 115.31 117.04 2aiv h LEU 23 Ca 0.15 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 2aiv h LEU 23 Cb 0.03 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2aiv h LEU 23 CO -0.03 1.24 0.27 0.03 0.09 0.00 0.00 178.44 180.04 2aiv h ARG 24 N 0.77 1.16 -2.47 1.13 3.08 -1.24 -3.34 114.38 113.47 2aiv h ARG 24 Ca 0.07 -0.23 -0.50 0.00 0.07 0.00 0.00 59.98 59.39 2aiv h ARG 24 Cb 0.93 -0.18 -0.37 0.00 0.08 0.00 0.00 29.97 30.43 2aiv h ARG 24 CO 0.09 0.96 -0.78 0.21 -1.07 0.00 0.00 179.97 179.38 2aiv s LYS 25 N -5.46 0.44 -0.85 0.04 2.20 -0.19 -0.14 119.74 115.77 2aiv s LYS 25 Ca -0.12 -0.88 -0.25 0.00 -0.36 0.00 0.00 55.97 54.36 2aiv s LYS 25 Cb 0.15 -1.08 -0.03 0.00 -1.51 0.00 0.00 37.83 35.37 2aiv s LYS 25 CO 0.84 -1.13 1.87 0.08 -0.36 0.00 0.00 175.35 176.65 2aiv s VAL 26 N 1.58 3.48 0.00 4.02 1.01 -1.05 -4.56 120.40 124.87 2aiv s VAL 26 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.85 2aiv s VAL 26 Cb -0.19 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2aiv s VAL 26 CO -0.14 -1.05 0.20 -0.81 0.00 0.00 0.00 175.10 173.30 2aiv n PRO 27 N 8.93 0.00 -3.28 2.72 -0.04 -1.26 -4.30 135.00 137.78 2aiv n PRO 27 Ca 0.35 0.17 -0.43 0.00 -0.04 0.00 0.00 63.50 63.54 2aiv n PRO 27 Cb 0.48 -0.70 -0.08 0.00 -0.04 0.00 0.00 33.50 33.16 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 -0.41 3.14 -0.24 0.54 5.65 -1.26 -4.27 115.29 118.44 2aiv s HIS 28 Ca 0.00 -0.46 -0.10 0.00 0.25 0.00 0.00 55.06 54.75 2aiv s HIS 28 Cb 0.00 -3.11 -0.05 0.00 -1.18 0.00 0.00 32.58 28.25 2aiv s HIS 28 CO 0.00 -0.80 0.14 -0.51 -0.65 0.00 0.00 174.74 172.91 2aiv s LEU 29 N 2.24 3.95 -0.24 8.88 1.43 -0.78 -4.85 118.68 129.32 2aiv s LEU 29 Ca 0.12 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 2aiv s LEU 29 Cb -0.18 -2.06 0.05 0.00 0.03 0.00 0.00 46.19 44.03 2aiv s LEU 29 CO 0.13 0.04 -0.13 -0.69 0.23 0.00 0.00 176.35 175.93 2aiv s VAL 30 N 1.17 2.13 -0.04 -1.59 1.01 -1.26 -1.66 120.40 120.16 2aiv s VAL 30 Ca 0.07 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 60.61 2aiv s VAL 30 Cb -0.14 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.11 2aiv s VAL 30 CO 0.05 0.12 -0.03 -0.69 0.00 0.00 0.00 175.10 174.55 2aiv s VAL 31 N 1.16 0.45 0.00 2.92 1.01 0.98 -1.98 120.40 124.94 2aiv s VAL 31 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.85 2aiv s VAL 31 Cb -0.18 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.71 2aiv s VAL 31 CO -0.07 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.84 2aiv n GLY 32 N 4.03 0.96 2.99 4.51 0.00 -1.24 0.11 105.19 116.55 2aiv n GLY 32 Ca -0.26 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 2aiv n GLY 32 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2aiv s HIS 33 N -2.00 0.27 0.24 1.61 2.46 0.44 -3.34 115.29 114.97 2aiv s HIS 33 Ca 0.00 -0.55 -0.07 0.00 0.47 0.00 0.00 55.06 54.91 2aiv s HIS 33 Cb 0.00 -0.20 0.24 0.00 -0.13 0.00 0.00 32.58 32.49 2aiv s HIS 33 CO 0.00 -0.21 1.91 0.87 -2.47 0.00 0.00 174.74 174.84 2aiv h LYS 34 N 4.54 1.28 -0.47 2.88 1.57 -1.84 0.82 116.57 125.36 2aiv h LYS 34 Ca -0.32 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.23 2aiv h LYS 34 Cb 1.21 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 2aiv h LYS 34 CO 0.43 0.87 -0.22 1.03 -0.57 0.00 0.00 179.45 180.99 2aiv h SER 35 N 1.31 1.01 0.00 0.86 0.87 -1.96 -3.39 113.55 112.25 2aiv h SER 35 Ca 0.35 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2aiv h SER 35 Cb -0.11 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.57 2aiv h SER 35 CO -0.07 1.19 0.00 -1.22 -0.53 0.00 0.00 176.83 176.19 2aiv n TYR 36 N -4.13 0.00 -0.85 2.24 4.02 -0.95 -4.92 117.16 112.58 2aiv n TYR 36 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2aiv n TYR 36 Cb 0.46 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 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 2.04 -2.36 3.67 2.72 0.00 0.28 -2.74 105.19 108.80 2aiv n GLY 37 Ca 0.00 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.93 4.16 -0.01 1.61 2.20 -1.24 -0.42 119.74 124.12 2aiv s LYS 38 Ca 0.00 0.15 0.05 0.00 -0.36 0.00 0.00 55.97 55.81 2aiv s LYS 38 Cb 0.00 -3.54 -0.01 0.00 -1.51 0.00 0.00 37.83 32.77 2aiv s LYS 38 CO 0.00 -0.03 -0.17 0.42 -0.36 0.00 0.00 175.35 175.21 2aiv s ILE 39 N 1.30 1.34 0.16 5.43 1.01 0.30 -1.91 121.20 128.83 2aiv s ILE 39 Ca 0.18 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.15 2aiv s ILE 39 Cb -0.15 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 2aiv s ILE 39 CO 0.08 0.38 -0.11 -1.61 0.00 0.00 0.00 174.94 173.67 2aiv s GLU 40 N -0.40 1.12 -0.24 2.79 2.02 -0.92 -0.01 118.70 123.06 2aiv s GLU 40 Ca 0.07 -1.48 -0.06 0.00 0.02 0.00 0.00 54.97 53.51 2aiv s GLU 40 Cb -0.07 -0.73 0.12 0.00 0.10 0.00 0.00 34.13 33.55 2aiv s GLU 40 CO -0.01 0.10 0.48 -0.06 0.02 0.00 0.00 175.26 175.79 2aiv s PHE 41 N -3.25 -1.02 -1.06 1.61 0.08 -0.66 -3.37 117.98 110.30 2aiv s PHE 41 Ca 0.18 1.57 0.18 0.00 0.12 0.00 0.00 56.93 58.98 2aiv s PHE 41 Cb 0.02 0.38 0.75 0.00 -0.57 0.00 0.00 43.02 43.60 2aiv s PHE 41 CO 0.02 -0.62 1.66 1.28 -0.10 0.00 0.00 175.22 177.46 2aiv n LEU 42 N 5.40 4.93 -4.73 -0.37 4.77 -0.63 -1.86 117.00 124.50 2aiv n LEU 42 Ca -0.07 -2.49 -0.30 0.00 -0.03 0.00 0.00 56.01 53.12 2aiv n LEU 42 Cb 0.50 -0.60 0.12 0.00 -2.33 0.00 0.00 43.42 41.11 2aiv n LEU 42 CO 0.01 0.80 0.68 -1.83 -1.33 0.00 0.00 177.39 175.72 2aiv s GLU 43 N -1.95 1.65 -0.79 3.23 -1.05 -1.26 -4.84 118.70 113.69 2aiv s GLU 43 Ca 0.52 1.02 -0.01 0.00 -0.15 0.00 0.00 54.97 56.36 2aiv s GLU 43 Cb 0.34 -1.84 0.19 0.00 -0.44 0.00 0.00 34.13 32.39 2aiv s GLU 43 CO 0.24 -2.03 0.64 -1.25 0.95 0.00 0.00 175.26 173.81 2aiv s PRO 44 N -4.89 2.93 -0.85 -4.83 0.04 -1.26 -3.91 135.00 122.23 2aiv s PRO 44 Ca 0.63 -3.11 -0.25 0.00 0.04 0.00 0.00 61.00 58.31 2aiv s PRO 44 Cb -0.18 -3.79 -0.06 0.00 0.04 0.00 0.00 34.50 30.51 2aiv s PRO 44 CO 0.57 -1.24 2.02 0.08 0.04 0.00 0.00 177.00 178.47 2aiv s VAL 45 N -1.05 3.36 -1.24 -0.36 1.01 -1.18 -4.66 120.40 116.27 2aiv s VAL 45 Ca 0.24 -0.25 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 2aiv s VAL 45 Cb -0.10 -3.82 0.06 0.00 0.00 0.00 0.00 36.38 32.52 2aiv s VAL 45 CO -0.11 -0.77 1.69 1.51 0.00 0.00 0.00 175.10 177.42 2aiv s ASP 46 N 8.60 6.71 -0.02 3.32 3.84 0.80 -3.89 116.67 136.04 2aiv s ASP 46 Ca 0.74 -2.23 -0.01 0.00 -0.00 0.00 0.00 52.55 51.05 2aiv s ASP 46 Cb -0.08 -2.58 -0.00 0.00 -1.38 0.00 0.00 42.92 38.87 2aiv s ASP 46 CO 0.03 -1.30 -0.01 -0.07 -0.00 0.00 0.00 175.17 173.82 2aiv h LEU 47 N 12.80 0.00 -3.01 2.11 3.38 -1.75 -3.48 115.31 125.36 2aiv h LEU 47 Ca 0.39 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.14 2aiv h LEU 47 Cb 0.90 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.66 2aiv h LEU 47 CO 1.45 0.08 -0.83 0.00 0.09 0.00 0.00 178.44 179.23 2aiv n ALA 48 N -2.31 -2.63 0.00 1.53 0.00 -1.26 -4.16 120.51 111.67 2aiv n ALA 48 Ca -0.01 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2aiv n ALA 48 Cb 0.02 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 16.93 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 -0.57 1.12 3.56 0.00 0.00 -1.26 -5.05 105.19 102.99 2aiv n GLY 49 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2aiv n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2aiv s ILE 50 N -2.00 3.46 -0.51 -0.61 -5.25 -1.26 -4.85 121.20 110.19 2aiv s ILE 50 Ca 0.00 -0.31 0.00 0.00 -0.99 0.00 0.00 60.65 59.35 2aiv s ILE 50 Cb 0.00 -4.05 0.00 0.00 2.95 0.00 0.00 42.46 41.36 2aiv s ILE 50 CO 0.00 -1.00 0.22 -2.65 -1.79 0.00 0.00 174.94 169.72 2aiv n PRO 51 N 8.90 0.29 0.19 0.37 -0.02 -1.26 -3.59 135.00 139.88 2aiv n PRO 51 Ca 0.37 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.89 2aiv n PRO 51 Cb 0.48 -1.25 0.36 0.00 -0.02 0.00 0.00 33.50 33.07 2aiv n PRO 51 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2aiv h LEU 52 N 1.20 0.00 -1.00 2.45 3.38 -1.96 -3.15 115.31 116.23 2aiv h LEU 52 Ca 0.00 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.23 2aiv h LEU 52 Cb 0.22 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.84 2aiv h LEU 52 CO 0.00 0.39 0.58 0.71 0.09 0.00 0.00 178.44 180.21 2aiv h THR 53 N 0.00 0.49 -0.93 0.22 1.35 -1.81 0.55 112.91 112.78 2aiv h THR 53 Ca -0.00 -0.18 -0.01 0.00 -0.55 0.00 0.00 66.41 65.66 2aiv h THR 53 Cb 0.78 -0.08 -0.04 0.00 -1.73 0.00 0.00 68.15 67.07 2aiv h THR 53 CO 0.05 0.10 0.54 0.77 -0.25 0.00 0.00 175.52 176.73 2aiv h SER 54 N 0.53 1.14 -0.80 5.36 4.64 -1.89 -2.01 113.55 120.53 2aiv h SER 54 Ca 0.66 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.85 2aiv h SER 54 Cb 1.29 -0.29 -0.04 0.00 -0.31 0.00 0.00 62.40 63.06 2aiv h SER 54 CO -0.50 0.89 0.33 -0.07 -0.87 0.00 0.00 176.83 176.61 2aiv h LEU 55 N 1.30 1.09 0.00 5.97 3.38 -0.11 -3.47 115.31 123.47 2aiv h LEU 55 Ca 0.33 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2aiv h LEU 55 Cb -0.03 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.44 2aiv h LEU 55 CO -0.06 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.04 2aiv n GLY 56 N -0.89 -0.36 0.74 0.83 0.00 -0.51 -5.11 105.19 99.90 2aiv n GLY 56 Ca 0.07 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 -0.82 3.00 -0.02 0.00 -1.23 -4.74 105.19 101.37 2aiv n GLY 57 Ca 0.00 0.24 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 2aiv n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aiv s VAL 58 N -2.00 1.02 0.00 1.61 1.01 -1.26 -4.61 120.40 116.16 2aiv s VAL 58 Ca 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 2aiv s VAL 58 Cb 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 2aiv s VAL 58 CO 0.00 0.33 1.26 -0.38 0.00 0.00 0.00 175.10 176.31 2aiv n ILE 59 N 3.87 1.19 -4.63 2.22 5.41 -1.26 -4.76 119.36 121.40 2aiv n ILE 59 Ca -0.23 -0.35 -0.33 0.00 1.00 0.00 0.00 62.75 62.84 2aiv n ILE 59 Cb 0.52 -1.34 -0.14 0.00 -0.71 0.00 0.00 39.64 37.96 2aiv n ILE 59 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 2aiv s ILE 60 N 1.00 3.05 -0.10 1.39 -4.36 -1.26 -4.97 121.20 115.95 2aiv s ILE 60 Ca 0.05 -0.65 0.04 0.00 -0.26 0.00 0.00 60.65 59.82 2aiv s ILE 60 Cb 0.02 -2.30 0.00 0.00 1.25 0.00 0.00 42.46 41.44 2aiv s ILE 60 CO 0.00 0.51 -0.23 -0.89 0.24 0.00 0.00 174.94 174.57 2aiv s THR 61 N 0.54 2.01 -0.20 8.37 2.01 -1.12 -5.09 115.64 122.15 2aiv s THR 61 Ca -0.08 -0.99 -0.03 0.00 0.31 0.00 0.00 61.69 60.90 2aiv s THR 61 Cb -0.16 -1.74 0.06 0.00 0.01 0.00 0.00 72.50 70.68 2aiv s THR 61 CO 0.04 0.55 0.04 0.12 -0.69 0.00 0.00 174.62 174.68 2aiv s PHE 62 N 0.36 0.97 0.26 4.92 5.36 -1.26 -2.00 117.98 126.60 2aiv s PHE 62 Ca -0.19 -0.85 -0.29 0.00 -0.96 0.00 0.00 56.93 54.64 2aiv s PHE 62 Cb -0.18 -1.02 -0.09 0.00 -0.34 0.00 0.00 43.02 41.39 2aiv s PHE 62 CO 0.09 -0.62 0.95 -1.21 -1.46 0.00 0.00 175.22 172.97 2aiv s GLU 63 N 1.88 4.77 -0.40 10.12 0.41 0.13 -4.91 118.70 130.70 2aiv s GLU 63 Ca -0.00 1.46 -0.04 0.00 -0.41 0.00 0.00 54.97 55.98 2aiv s GLU 63 Cb -0.17 -3.15 -0.11 0.00 -1.78 0.00 0.00 34.13 28.93 2aiv s GLU 63 CO -0.09 0.44 2.19 -0.35 -0.49 0.00 0.00 175.26 176.96 2aiv n PRO 64 N 1.22 1.55 0.00 0.39 -0.04 -1.26 -1.60 135.00 135.26 2aiv n PRO 64 Ca -0.01 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.50 2aiv n PRO 64 Cb 0.48 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 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 3.37 0.00 -3.76 0.54 4.76 -1.26 -5.05 118.16 116.76 2aiv n LYS 65 Ca 0.33 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.68 2aiv n LYS 65 Cb 0.35 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.48 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 0.11 -0.23 -0.18 2.01 -0.63 -5.03 115.64 111.69 2aiv s THR 66 Ca 0.00 -0.91 -0.10 0.00 0.31 0.00 0.00 61.69 60.99 2aiv s THR 66 Cb 0.00 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 2aiv s THR 66 CO 0.00 -0.50 0.14 0.00 -0.69 0.00 0.00 174.62 173.57 2aiv s ILE 68 N 0.99 2.09 0.00 0.00 1.01 -0.85 -4.92 121.20 119.53 2aiv s ILE 68 Ca 0.07 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2aiv s ILE 68 Cb -0.13 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.46 2aiv s ILE 68 CO 0.04 0.54 0.00 2.30 0.00 0.00 0.00 174.94 177.82 2aiv n ILE 69 N 4.62 0.00 1.27 2.92 -5.35 -1.26 -2.79 119.36 118.76 2aiv n ILE 69 Ca -0.21 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.40 2aiv n ILE 69 Cb 0.50 -0.02 0.33 0.00 -1.74 0.00 0.00 39.64 38.71 2aiv n ILE 69 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2aiv n TYR 70 N -0.39 0.00 -1.66 4.28 4.01 -1.26 -4.86 117.16 117.28 2aiv n TYR 70 Ca 0.00 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.28 2aiv n TYR 70 Cb 0.02 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.01 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 0.56 1.03 -0.52 -0.72 0.00 -1.26 -0.50 120.51 119.09 2aiv n ALA 71 Ca 0.16 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.05 2aiv n ALA 71 Cb 0.45 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.61 2aiv n ALA 71 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2aiv n ASN 72 N 2.94 0.00 -4.56 0.00 5.15 -1.26 -4.91 115.26 112.62 2aiv n ASN 72 Ca 0.15 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.83 2aiv n ASN 72 Cb 0.28 -1.77 -0.04 0.00 -0.53 0.00 0.00 39.78 37.72 2aiv n ASN 72 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2aiv s LEU 73 N 0.00 3.21 -0.33 1.20 1.98 0.34 -4.85 118.68 120.23 2aiv s LEU 73 Ca 0.00 -0.39 0.02 0.00 -2.89 0.00 0.00 54.13 50.86 2aiv s LEU 73 Cb 0.00 -2.55 0.42 0.00 0.66 0.00 0.00 46.19 44.72 2aiv s LEU 73 CO 0.00 -2.62 1.69 -0.81 -1.89 0.00 0.00 176.35 172.72 2aiv n PRO 74 N 8.95 1.89 -2.87 0.98 -0.04 -1.26 -4.85 135.00 137.80 2aiv n PRO 74 Ca 0.34 -2.03 -0.21 0.00 -0.04 0.00 0.00 63.50 61.55 2aiv n PRO 74 Cb 0.48 -1.80 0.02 0.00 -0.04 0.00 0.00 33.50 32.16 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 -0.50 -5.62 -0.14 3.54 3.02 -1.26 -4.89 115.26 109.41 2aiv n ASN 75 Ca 0.40 -0.20 -0.04 0.00 -0.03 0.00 0.00 54.58 54.72 2aiv n ASN 75 Cb 1.15 -4.59 0.03 0.00 -0.61 0.00 0.00 39.78 35.75 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 -0.91 -0.03 -0.97 3.52 3.08 -1.95 -1.84 114.38 115.28 2aiv h ARG 76 Ca -0.49 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 58.99 2aiv h ARG 76 Cb 1.35 0.01 -0.30 0.00 0.08 0.00 0.00 29.97 31.11 2aiv h ARG 76 CO 0.55 -0.02 0.69 -0.35 -1.07 0.00 0.00 179.97 179.78 2aiv n PRO 77 N -5.36 2.41 -0.36 0.04 -0.04 -1.26 -4.64 135.00 125.79 2aiv n PRO 77 Ca 0.04 -3.13 -0.02 0.00 -0.04 0.00 0.00 63.50 60.35 2aiv n PRO 77 Cb 0.27 -2.21 0.11 0.00 -0.04 0.00 0.00 33.50 31.63 2aiv n PRO 77 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2aiv h LYS 78 N 1.37 1.24 -6.09 0.54 3.64 -1.64 -3.20 116.57 112.42 2aiv h LYS 78 Ca 0.61 -0.07 -0.58 0.00 -1.27 0.00 0.00 60.65 59.34 2aiv h LYS 78 Cb 2.09 -0.28 -0.06 0.00 -0.41 0.00 0.00 32.23 33.57 2aiv h LYS 78 CO 1.25 0.82 0.81 1.03 -2.27 0.00 0.00 179.45 181.10 2aiv s ARG 79 N -6.11 4.26 0.00 1.90 1.81 -1.26 -3.23 118.95 116.31 2aiv s ARG 79 Ca -0.13 1.41 0.00 0.00 -1.72 0.00 0.00 55.73 55.29 2aiv s ARG 79 Cb 0.18 -3.66 0.00 0.00 -0.45 0.00 0.00 34.95 31.02 2aiv s ARG 79 CO 0.81 -0.64 0.00 0.41 -0.68 0.00 0.00 175.30 175.20 2aiv n GLY 80 N 3.37 1.56 3.44 -3.53 0.00 -1.26 -5.03 105.19 103.73 2aiv n GLY 80 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 2aiv n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aiv s GLU 81 N -0.48 1.57 -0.22 1.61 0.41 -1.20 -5.13 118.70 115.26 2aiv s GLU 81 Ca 0.00 -1.52 -0.04 0.00 -0.41 0.00 0.00 54.97 53.00 2aiv s GLU 81 Cb 0.00 -1.87 0.11 0.00 -1.78 0.00 0.00 34.13 30.60 2aiv s GLU 81 CO 0.00 0.40 0.35 0.20 -0.49 0.00 0.00 175.26 175.72 2aiv s GLY 82 N -2.72 -0.31 -0.28 -1.39 0.00 -1.26 -4.78 107.32 96.58 2aiv s GLY 82 Ca 0.21 0.91 -0.11 0.00 0.00 0.00 0.00 44.72 45.74 2aiv s GLY 82 CO 0.10 2.46 0.19 -0.42 0.00 0.00 0.00 173.10 175.44 2aiv s ILE 83 N 2.51 5.29 0.02 0.90 1.01 -1.26 -4.88 121.20 124.79 2aiv s ILE 83 Ca 0.08 0.15 -0.16 0.00 0.00 0.00 0.00 60.65 60.72 2aiv s ILE 83 Cb -0.15 -3.53 -0.06 0.00 0.01 0.00 0.00 42.46 38.74 2aiv s ILE 83 CO -0.14 0.24 0.45 0.20 0.00 0.00 0.00 174.94 175.70 2aiv s ASN 84 N 1.76 6.88 -0.47 3.58 0.02 -1.26 -4.99 114.94 120.46 2aiv s ASN 84 Ca 0.07 1.04 0.03 0.00 -1.02 0.00 0.00 52.86 52.99 2aiv s ASN 84 Cb -0.16 -2.28 0.58 0.00 0.02 0.00 0.00 41.25 39.41 2aiv s ASN 84 CO 0.11 0.31 1.84 0.52 0.02 0.00 0.00 177.10 179.90 2aiv n VAL 85 N 1.81 3.18 -1.24 1.60 0.31 -1.26 -4.43 118.33 118.30 2aiv n VAL 85 Ca -0.13 -2.43 -0.36 0.00 -0.01 0.00 0.00 64.34 61.41 2aiv n VAL 85 Cb 0.52 -0.65 -0.02 0.00 -0.91 0.00 0.00 33.84 32.78 2aiv n VAL 85 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2aiv n ARG 86 N -1.07 2.88 -3.99 5.55 1.74 -1.26 -3.41 116.66 117.10 2aiv n ARG 86 Ca 0.55 -2.06 -0.08 0.00 -0.77 0.00 0.00 57.85 55.50 2aiv n ARG 86 Cb 1.28 -2.83 -0.09 0.00 -1.02 0.00 0.00 32.46 29.81 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 3.01 0.20 -0.08 7.54 0.00 -1.26 -1.61 121.76 129.56 2aiv s ALA 87 Ca 0.56 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.57 2aiv s ALA 87 Cb 0.15 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 2aiv s ALA 87 CO -0.04 -0.43 -0.09 1.03 0.00 0.00 0.00 175.76 176.23 2aiv s ARG 88 N -3.90 2.81 -0.15 0.00 0.52 -1.22 -3.25 118.95 113.77 2aiv s ARG 88 Ca 0.06 -0.60 -0.03 0.00 -0.52 0.00 0.00 55.73 54.64 2aiv s ARG 88 Cb 0.07 -2.56 -0.02 0.00 0.52 0.00 0.00 34.95 32.95 2aiv s ARG 88 CO -0.10 0.58 -0.06 0.42 0.02 0.00 0.00 175.30 176.15 2aiv s ILE 89 N -0.58 3.70 -0.10 1.52 1.01 -0.80 -2.16 121.20 123.80 2aiv s ILE 89 Ca 0.09 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.35 2aiv s ILE 89 Cb -0.12 -2.61 -0.00 0.00 0.01 0.00 0.00 42.46 39.74 2aiv s ILE 89 CO 0.02 0.50 -0.24 -0.89 0.00 0.00 0.00 174.94 174.33 2aiv s THR 90 N 0.38 2.08 0.14 2.92 2.01 -0.80 -3.25 115.64 119.12 2aiv s THR 90 Ca -0.05 -1.01 0.10 0.00 0.31 0.00 0.00 61.69 61.03 2aiv s THR 90 Cb -0.15 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 2aiv s THR 90 CO 0.03 0.56 -0.19 0.00 -0.69 0.00 0.00 174.62 174.34 2aiv s PHE 92 N -1.28 2.21 -0.64 0.00 -0.12 -1.11 -4.09 117.98 112.96 2aiv s PHE 92 Ca 0.19 1.10 -0.27 0.00 -0.05 0.00 0.00 56.93 57.90 2aiv s PHE 92 Cb -0.10 -3.22 -0.00 0.00 -0.63 0.00 0.00 43.02 39.07 2aiv s PHE 92 CO 0.10 -2.66 1.66 1.21 -0.05 0.00 0.00 175.22 175.48 2aiv s ASN 93 N -3.46 5.60 0.00 1.98 3.84 -1.26 -4.78 114.94 116.85 2aiv s ASN 93 Ca 0.64 0.13 0.23 0.00 0.21 0.00 0.00 52.86 54.07 2aiv s ASN 93 Cb -0.18 -2.54 0.52 0.00 -0.55 0.00 0.00 41.25 38.50 2aiv s ASN 93 CO 0.57 -2.16 1.46 0.00 -2.79 0.00 0.00 177.10 174.18 2aiv h TYR 95 N 4.36 -0.18 0.00 0.00 5.03 -1.87 0.27 116.97 124.58 2aiv h TYR 95 Ca 0.00 0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.38 2aiv h TYR 95 Cb 0.99 0.22 0.00 0.00 1.55 0.00 0.00 36.73 39.49 2aiv h TYR 95 CO 0.36 -0.36 0.00 -2.30 -1.32 0.00 0.00 178.16 174.54 2aiv n PRO 96 N -5.47 0.21 -3.61 1.82 -0.02 -1.23 -4.43 135.00 122.28 2aiv n PRO 96 Ca 0.17 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.53 2aiv n PRO 96 Cb 0.58 -1.15 -0.12 0.00 -0.02 0.00 0.00 33.50 32.79 2aiv n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2aiv s VAL 97 N -0.72 -0.46 -0.27 -1.45 1.01 0.08 -2.52 120.40 116.07 2aiv s VAL 97 Ca 0.00 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 2aiv s VAL 97 Cb 0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2aiv s VAL 97 CO 0.00 0.04 0.33 -0.62 0.00 0.00 0.00 175.10 174.85 2aiv s ASP 98 N 2.45 6.21 0.16 3.32 -1.08 0.35 -4.92 116.67 123.17 2aiv s ASP 98 Ca 0.03 0.23 -0.09 0.00 -0.52 0.00 0.00 52.55 52.20 2aiv s ASP 98 Cb -0.13 -2.19 0.03 0.00 -1.46 0.00 0.00 42.92 39.17 2aiv s ASP 98 CO -0.10 -0.14 1.52 0.11 0.52 0.00 0.00 175.17 177.08 2aiv h LYS 99 N 8.12 0.88 -0.81 4.34 1.57 -1.93 1.44 116.57 130.17 2aiv h LYS 99 Ca -0.33 -0.44 0.01 0.00 -1.87 0.00 0.00 60.65 58.02 2aiv h LYS 99 Cb 1.17 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.44 2aiv h LYS 99 CO 0.63 1.08 0.54 0.77 -0.57 0.00 0.00 179.45 181.90 2aiv h SER 100 N 0.73 0.93 0.00 0.86 0.02 -1.98 -3.25 113.55 110.85 2aiv h SER 100 Ca 0.07 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2aiv h SER 100 Cb 0.93 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2aiv h SER 100 CO 0.09 0.67 0.00 0.35 -1.14 0.00 0.00 176.83 176.80 2aiv n THR 101 N -4.41 0.42 -1.61 -2.27 -2.24 -1.21 -4.97 114.28 97.98 2aiv n THR 101 Ca 0.09 -0.57 -0.21 0.00 -2.27 0.00 0.00 64.05 61.09 2aiv n THR 101 Cb 0.03 0.90 -0.09 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.21 -1.45 -1.88 -0.78 5.12 0.49 -4.91 116.66 113.03 2aiv n ARG 102 Ca 0.00 1.23 -0.42 0.00 -1.93 0.00 0.00 57.85 56.74 2aiv n ARG 102 Cb 0.21 -5.61 -0.02 0.00 -1.16 0.00 0.00 32.46 25.88 2aiv n ARG 102 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2aiv s LYS 103 N -3.77 4.19 -0.83 5.56 2.20 -0.86 -4.63 119.74 121.60 2aiv s LYS 103 Ca 0.00 2.45 -0.02 0.00 -0.36 0.00 0.00 55.97 58.04 2aiv s LYS 103 Cb 0.00 -3.08 0.20 0.00 -1.51 0.00 0.00 37.83 33.45 2aiv s LYS 103 CO 0.00 -0.56 0.69 -1.25 -0.36 0.00 0.00 175.35 173.87 2aiv s PRO 104 N -0.13 3.09 -0.41 4.03 0.04 -1.26 0.13 135.00 140.50 2aiv s PRO 104 Ca 0.63 -3.11 -0.19 0.00 0.04 0.00 0.00 61.00 58.38 2aiv s PRO 104 Cb -0.45 -3.89 0.01 0.00 0.04 0.00 0.00 34.50 30.21 2aiv s PRO 104 CO 0.43 -1.25 0.54 0.42 0.04 0.00 0.00 177.00 177.18 2aiv s ILE 105 N -1.06 4.97 -0.85 0.56 1.01 -1.05 -4.94 121.20 119.85 2aiv s ILE 105 Ca 0.25 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.95 2aiv s ILE 105 Cb -0.10 -4.08 0.30 0.00 0.01 0.00 0.00 42.46 38.59 2aiv s ILE 105 CO -0.11 -0.43 1.23 0.29 0.00 0.00 0.00 174.94 175.92 2aiv n LYS 106 N 5.90 3.85 -3.81 2.79 4.01 -1.26 -3.49 118.16 126.14 2aiv n LYS 106 Ca -0.04 -4.67 -0.12 0.00 -0.51 0.00 0.00 58.31 52.97 2aiv n LYS 106 Cb 0.48 -2.38 -0.09 0.00 -0.51 0.00 0.00 35.03 32.53 2aiv n LYS 106 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2aiv s ASP 107 N -2.23 -0.07 -0.65 4.39 1.01 -1.26 -5.06 116.67 112.80 2aiv s ASP 107 Ca 0.38 -0.11 -0.02 0.00 0.71 0.00 0.00 52.55 53.51 2aiv s ASP 107 Cb 0.15 0.27 0.30 0.00 1.01 0.00 0.00 42.92 44.65 2aiv s ASP 107 CO -0.01 -0.44 2.18 -0.81 0.21 0.00 0.00 175.17 176.30 2aiv n PRO 108 N 1.21 2.54 0.00 8.23 -0.04 -1.26 -4.53 135.00 141.15 2aiv n PRO 108 Ca -0.22 -2.96 0.14 0.00 -0.04 0.00 0.00 63.50 60.42 2aiv n PRO 108 Cb 0.56 -2.17 0.51 0.00 -0.04 0.00 0.00 33.50 32.37 2aiv n PRO 108 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2aiv n ASN 109 N -0.24 1.48 -3.71 3.54 3.02 -1.26 -4.94 115.26 113.15 2aiv n ASN 109 Ca 0.52 -1.47 -0.26 0.00 -0.03 0.00 0.00 54.58 53.35 2aiv n ASN 109 Cb 0.46 0.01 0.06 0.00 -0.61 0.00 0.00 39.78 39.70 2aiv n ASN 109 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2aiv n HIS 110 N 0.14 -2.59 -0.35 3.10 8.25 -1.26 -4.88 115.22 117.61 2aiv n HIS 110 Ca 0.19 0.97 -0.01 0.00 -0.26 0.00 0.00 57.72 58.60 2aiv n HIS 110 Cb 0.36 -4.62 0.12 0.00 1.12 0.00 0.00 29.99 26.96 2aiv n HIS 110 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2aiv h GLN 111 N -2.40 1.20 0.00 -0.41 4.20 -1.92 -3.26 115.11 112.52 2aiv h GLN 111 Ca -0.58 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.06 2aiv h GLN 111 Cb 1.37 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.88 2aiv h GLN 111 CO 0.60 0.79 -0.24 1.47 -0.67 0.00 0.00 178.83 180.78 2aiv n LEU 112 N -4.46 0.96 0.03 1.46 -0.00 -1.26 -4.84 117.00 108.90 2aiv n LEU 112 Ca 0.12 -1.71 -0.12 0.00 -0.00 0.00 0.00 56.01 54.30 2aiv n LEU 112 Cb 0.06 -0.15 -0.07 0.00 -0.00 0.00 0.00 43.42 43.26 2aiv n LEU 112 CO 0.35 0.41 0.85 0.58 -0.00 0.00 0.00 177.39 179.58 2aiv h VAL 113 N 3.70 1.04 -0.83 1.47 2.07 -1.94 -1.50 116.25 120.26 2aiv h VAL 113 Ca 0.00 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2aiv h VAL 113 Cb 1.16 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 2aiv h VAL 113 CO 0.00 0.03 0.50 0.50 0.02 0.00 0.00 177.57 178.63 2aiv h LYS 114 N -0.04 1.12 -0.79 1.57 3.64 -1.88 -2.57 116.57 117.62 2aiv h LYS 114 Ca 0.00 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 2aiv h LYS 114 Cb 0.05 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.60 2aiv h LYS 114 CO -0.00 0.78 0.41 0.00 -2.27 0.00 0.00 179.45 178.37 2aiv h ARG 115 N 1.13 1.12 -0.64 1.90 3.08 -1.84 -1.30 114.38 117.84 2aiv h ARG 115 Ca 0.30 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 2aiv h ARG 115 Cb -0.05 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.75 2aiv h ARG 115 CO -0.06 0.83 0.33 1.25 -1.07 0.00 0.00 179.97 181.26 2aiv h HIS 116 N 1.12 0.90 -0.38 3.04 2.76 -0.87 -0.13 115.15 121.59 2aiv h HIS 116 Ca 0.28 -0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.27 2aiv h HIS 116 Cb 0.06 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.73 2aiv h HIS 116 CO 0.01 0.66 -0.34 0.82 -1.30 0.00 0.00 177.93 177.78 2aiv h ILE 117 N 0.88 1.28 -0.79 6.26 1.08 -1.30 -2.62 117.51 122.29 2aiv h ILE 117 Ca 0.22 -1.51 -0.04 0.00 -0.39 0.00 0.00 64.86 63.14 2aiv h ILE 117 Cb 0.08 1.39 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 2aiv h ILE 117 CO -0.03 0.50 0.34 -0.33 -0.69 0.00 0.00 178.15 177.94 2aiv h GLU 118 N 0.71 1.16 -0.79 2.37 5.08 -0.96 -2.52 114.58 119.63 2aiv h GLU 118 Ca 0.06 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 2aiv h GLU 118 Cb 0.93 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2aiv h GLU 118 CO 0.09 0.93 0.30 0.00 -1.00 0.00 0.00 179.01 179.32 2aiv h ARG 119 N 1.13 1.19 -0.88 2.33 3.08 -0.95 -2.67 114.38 117.61 2aiv h ARG 119 Ca 0.26 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2aiv h ARG 119 Cb 0.18 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 2aiv h ARG 119 CO -0.03 0.97 0.51 -0.07 -1.07 0.00 0.00 179.97 180.29 2aiv h LEU 120 N 1.16 1.07 -0.88 3.04 3.38 -1.12 -2.12 115.31 119.85 2aiv h LEU 120 Ca 0.26 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2aiv h LEU 120 Cb 0.24 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2aiv h LEU 120 CO -0.02 0.84 0.49 0.11 0.09 0.00 0.00 178.44 179.96 2aiv h LYS 121 N 1.22 1.22 -0.67 1.13 1.57 -1.14 -2.50 116.57 117.40 2aiv h LYS 121 Ca 0.31 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 2aiv h LYS 121 Cb -0.01 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 2aiv h LYS 121 CO -0.05 0.89 0.14 0.87 -0.57 0.00 0.00 179.45 180.73 2aiv h LYS 122 N 1.23 1.08 -5.84 3.15 1.57 -1.17 -3.40 116.57 113.20 2aiv h LYS 122 Ca 0.31 -0.26 -0.42 0.00 -1.87 0.00 0.00 60.65 58.41 2aiv h LYS 122 Cb 0.02 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 2aiv h LYS 122 CO -0.05 0.97 1.17 -0.80 -0.57 0.00 0.00 179.45 180.16 2aiv s ASN 123 N -6.50 5.07 -0.22 0.86 0.02 -0.84 -4.85 114.94 108.49 2aiv s ASN 123 Ca -0.12 0.16 0.01 0.00 -1.02 0.00 0.00 52.86 51.90 2aiv s ASN 123 Cb 0.15 -2.53 0.28 0.00 0.02 0.00 0.00 41.25 39.16 2aiv s ASN 123 CO 0.84 -2.61 1.52 -0.81 0.02 0.00 0.00 177.10 176.07 2aiv n PRO 124 N 9.07 1.59 -0.04 -0.60 -0.04 -1.26 -3.76 135.00 139.95 2aiv n PRO 124 Ca 0.29 -1.36 -0.02 0.00 -0.04 0.00 0.00 63.50 62.37 2aiv n PRO 124 Cb 0.51 -1.53 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 2aiv n PRO 124 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2aiv n ASN 125 N -0.11 1.91 -4.30 3.54 3.02 -1.26 -5.00 115.26 113.06 2aiv n ASN 125 Ca 0.27 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.57 2aiv n ASN 125 Cb 0.94 1.09 -0.13 0.00 -0.61 0.00 0.00 39.78 41.07 2aiv n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2aiv s SER 126 N -4.20 2.66 -0.26 6.41 0.01 -1.25 -4.86 113.70 112.22 2aiv s SER 126 Ca -0.06 -0.70 -0.14 0.00 1.31 0.00 0.00 55.95 56.37 2aiv s SER 126 Cb 0.05 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 2aiv s SER 126 CO 0.53 0.08 0.31 -0.54 0.41 0.00 0.00 173.24 174.02 2aiv s LYS 127 N -1.94 4.02 -0.10 12.44 1.02 -0.07 -4.97 119.74 130.14 2aiv s LYS 127 Ca 0.08 -0.06 -0.29 0.00 0.02 0.00 0.00 55.97 55.71 2aiv s LYS 127 Cb -0.10 -3.63 -0.04 0.00 -0.52 0.00 0.00 37.83 33.54 2aiv s LYS 127 CO 0.05 -0.19 1.48 0.12 -0.92 0.00 0.00 175.35 175.89 2aiv s PHE 128 N 1.81 2.35 0.00 3.18 5.36 -1.26 -1.25 117.98 128.17 2aiv s PHE 128 Ca 0.13 0.54 0.00 0.00 -0.96 0.00 0.00 56.93 56.64 2aiv s PHE 128 Cb -0.15 -3.74 0.00 0.00 -0.34 0.00 0.00 43.02 38.79 2aiv s PHE 128 CO 0.09 -2.92 0.00 0.39 -1.46 0.00 0.00 175.22 171.32 2aiv n GLU 129 N 6.91 0.00 -3.75 10.12 -0.58 -0.94 -4.93 120.64 127.47 2aiv n GLU 129 Ca 0.16 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.78 2aiv n GLU 129 Cb 0.44 -0.24 -0.11 0.00 -0.57 0.00 0.00 31.44 30.95 2aiv n GLU 129 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2aiv s SER 130 N -1.05 -0.34 -0.10 1.62 0.01 -1.07 -5.04 113.70 107.74 2aiv s SER 130 Ca 0.00 0.64 0.04 0.00 1.31 0.00 0.00 55.95 57.93 2aiv s SER 130 Cb 0.00 0.60 -0.00 0.00 0.21 0.00 0.00 66.02 66.83 2aiv s SER 130 CO 0.00 -0.13 -0.22 -0.47 0.41 0.00 0.00 173.24 172.83 2aiv s TYR 131 N 0.53 2.59 -0.23 2.43 5.04 -1.26 -2.95 117.35 123.51 2aiv s TYR 131 Ca -0.03 -0.90 -0.05 0.00 -2.44 0.00 0.00 57.07 53.64 2aiv s TYR 131 Cb -0.05 -1.72 -0.02 0.00 0.35 0.00 0.00 41.96 40.53 2aiv s TYR 131 CO -0.03 -0.34 -0.00 -0.51 -1.34 0.00 0.00 175.55 173.33 2aiv s ASP 132 N 0.24 4.61 0.16 4.32 -0.00 -1.16 -4.99 116.67 119.85 2aiv s ASP 132 Ca -0.15 -0.33 -0.08 0.00 -0.00 0.00 0.00 52.55 51.99 2aiv s ASP 132 Cb -0.17 -1.81 0.02 0.00 -0.00 0.00 0.00 42.92 40.96 2aiv s ASP 132 CO 0.07 -0.03 1.50 0.00 -0.00 0.00 0.00 175.17 176.72 2aiv h ALA 133 N 8.16 0.64 -0.98 5.23 0.00 -1.94 0.88 119.26 131.25 2aiv h ALA 133 Ca -0.40 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.05 2aiv h ALA 133 Cb 1.17 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2aiv h ALA 133 CO 0.59 0.67 0.62 -0.44 0.00 0.00 0.00 179.25 180.70 2aiv h ASP 134 N 0.69 1.15 0.01 0.00 3.45 -1.98 -3.03 116.42 116.70 2aiv h ASP 134 Ca 0.05 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2aiv h ASP 134 Cb 0.98 -0.29 0.00 0.00 -0.56 0.00 0.00 39.33 39.46 2aiv h ASP 134 CO 0.09 0.85 -1.91 -1.20 -1.57 0.00 0.00 179.24 175.51 2aiv n SER 135 N -4.37 0.09 0.00 6.45 7.64 -1.20 -4.97 113.62 117.26 2aiv n SER 135 Ca 0.11 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2aiv n SER 135 Cb 0.03 1.90 0.00 0.00 -1.01 0.00 0.00 64.21 65.14 2aiv n SER 135 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aiv n GLY 136 N 1.28 0.46 3.76 0.23 0.00 0.31 -4.61 105.19 106.61 2aiv n GLY 136 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.34 3.54 -0.17 2.61 2.01 -1.21 -4.73 115.64 115.34 2aiv s THR 137 Ca 0.00 1.55 -0.01 0.00 0.31 0.00 0.00 61.69 63.54 2aiv s THR 137 Cb 0.00 -3.99 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 2aiv s THR 137 CO 0.00 0.37 -0.11 -0.47 -0.69 0.00 0.00 174.62 173.72 2aiv s TYR 138 N -1.16 2.86 -0.11 4.92 5.04 -1.26 -2.99 117.35 124.65 2aiv s TYR 138 Ca 0.44 -0.96 0.04 0.00 -2.44 0.00 0.00 57.07 54.15 2aiv s TYR 138 Cb -0.31 -1.96 0.00 0.00 0.35 0.00 0.00 41.96 40.04 2aiv s TYR 138 CO 0.40 -0.46 -0.24 0.08 -1.34 0.00 0.00 175.55 174.00 2aiv s VAL 139 N 0.97 2.06 0.11 3.14 1.01 -1.15 -3.53 120.40 123.00 2aiv s VAL 139 Ca -0.02 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 60.83 2aiv s VAL 139 Cb -0.15 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.46 2aiv s VAL 139 CO -0.01 0.56 0.29 0.72 0.00 0.00 0.00 175.10 176.65 2aiv s PHE 140 N 0.42 -0.01 -0.04 5.22 -0.71 -1.20 -2.22 117.98 119.45 2aiv s PHE 140 Ca -0.17 -0.37 0.05 0.00 -1.04 0.00 0.00 56.93 55.40 2aiv s PHE 140 Cb -0.18 0.09 -0.01 0.00 -1.21 0.00 0.00 43.02 41.71 2aiv s PHE 140 CO 0.07 -0.62 -0.19 -1.50 -1.34 0.00 0.00 175.22 171.64 2aiv s ILE 141 N -3.84 1.56 -0.38 -4.49 2.07 -0.38 -1.90 121.20 113.85 2aiv s ILE 141 Ca 0.04 -0.80 0.06 0.00 -1.41 0.00 0.00 60.65 58.54 2aiv s ILE 141 Cb 0.03 -1.32 0.51 0.00 0.13 0.00 0.00 42.46 41.81 2aiv s ILE 141 CO -0.11 0.44 1.57 1.33 -1.91 0.00 0.00 174.94 176.26 2aiv n VAL 142 N 2.95 2.82 -2.50 4.00 0.24 -1.20 -0.89 118.33 123.76 2aiv n VAL 142 Ca -0.17 -2.99 -0.43 0.00 -2.04 0.00 0.00 64.34 58.71 2aiv n VAL 142 Cb 0.53 -0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 32.23 2aiv n VAL 142 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2aiv s ASN 143 N -2.48 6.54 0.00 -1.34 3.84 -1.22 -4.71 114.94 115.57 2aiv s ASN 143 Ca 0.51 0.68 0.01 0.00 0.21 0.00 0.00 52.86 54.27 2aiv s ASN 143 Cb 0.44 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.59 2aiv s ASN 143 CO 0.02 -1.29 0.36 0.00 -2.79 0.00 0.00 177.10 173.40 2aiv n HIS 144 N 8.14 0.00 -0.37 0.43 1.44 -1.26 -4.69 115.22 118.92 2aiv n HIS 144 Ca 0.14 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.83 2aiv n HIS 144 Cb 0.48 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.70 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 0.15 1.26 -2.89 1.59 0.00 -1.90 -3.40 119.26 114.08 2aiv h ALA 145 Ca 0.00 -0.08 -0.63 0.00 0.00 0.00 0.00 54.91 54.19 2aiv h ALA 145 Cb 0.03 -0.40 -0.16 0.00 0.00 0.00 0.00 17.79 17.27 2aiv h ALA 145 CO 0.00 0.67 -0.43 0.00 0.00 0.00 0.00 179.25 179.48 2aiv s ALA 146 N -6.05 3.55 -0.02 0.00 0.00 -1.26 -5.08 121.76 112.91 2aiv s ALA 146 Ca -0.13 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 50.95 2aiv s ALA 146 Cb 0.18 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.76 2aiv s ALA 146 CO 0.82 -0.50 -0.26 -1.21 0.00 0.00 0.00 175.76 174.62 2aiv s GLU 147 N 1.68 2.10 -0.26 0.00 2.02 -1.26 -5.10 118.70 117.89 2aiv s GLU 147 Ca 0.10 -0.94 -0.20 0.00 0.02 0.00 0.00 54.97 53.95 2aiv s GLU 147 Cb -0.15 -2.05 -0.02 0.00 0.10 0.00 0.00 34.13 32.01 2aiv s GLU 147 CO 0.09 0.56 0.61 -0.65 0.02 0.00 0.00 175.26 175.89 2aiv s GLN 148 N -0.67 4.10 0.00 1.61 -0.21 -1.26 -5.25 119.66 117.98 2aiv s GLN 148 Ca 0.10 0.50 0.00 0.00 0.02 0.00 0.00 55.36 55.99 2aiv s GLN 148 Cb -0.10 -3.65 0.00 0.00 1.00 0.00 0.00 33.01 30.26 2aiv s GLN 148 CO -0.01 -0.41 0.00 -2.37 -2.12 0.00 0.00 175.29 170.39