#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 0.75 -2.74 1.61 -0.04 -1.26 -5.13 135.00 128.19 2aiv n PRO 2 Ca 0.00 -3.71 -0.40 0.00 -0.04 0.00 0.00 63.50 59.35 2aiv n PRO 2 Cb 0.00 0.93 -0.06 0.00 -0.04 0.00 0.00 33.50 34.33 2aiv n PRO 2 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2aiv s ASN 3 N -3.87 7.63 0.09 3.54 0.01 -1.26 -4.95 114.94 116.13 2aiv s ASN 3 Ca 0.04 1.95 0.28 0.00 -0.71 0.00 0.00 52.86 54.41 2aiv s ASN 3 Cb -0.00 -2.61 1.05 0.00 0.41 0.00 0.00 41.25 40.10 2aiv s ASN 3 CO 0.02 0.13 1.86 -0.62 -1.51 0.00 0.00 177.10 176.99 2aiv n GLU 4 N 1.59 0.11 -0.25 -0.60 1.02 -1.26 -3.61 120.64 117.65 2aiv n GLU 4 Ca -0.02 0.10 -0.02 0.00 -0.02 0.00 0.00 57.16 57.20 2aiv n GLU 4 Cb 0.47 -1.63 0.17 0.00 -0.02 0.00 0.00 31.44 30.43 2aiv n GLU 4 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2aiv h ASN 5 N 0.00 0.95 -4.48 1.62 -0.26 -1.95 -3.42 115.58 108.04 2aiv h ASN 5 Ca 0.00 -0.07 -0.70 0.00 -0.56 0.00 0.00 56.30 54.97 2aiv h ASN 5 Cb 0.60 -0.24 -0.29 0.00 -1.06 0.00 0.00 38.32 37.33 2aiv h ASN 5 CO 0.00 0.76 -0.87 -0.72 -1.06 0.00 0.00 177.43 175.54 2aiv s TYR 6 N -5.72 2.40 0.13 1.19 1.13 -1.24 -4.23 117.35 111.00 2aiv s TYR 6 Ca -0.11 -0.40 0.05 0.00 -1.41 0.00 0.00 57.07 55.20 2aiv s TYR 6 Cb 0.17 -1.53 -0.04 0.00 -1.10 0.00 0.00 41.96 39.46 2aiv s TYR 6 CO 0.80 -0.01 -0.12 1.52 -2.51 0.00 0.00 175.55 175.24 2aiv s TYR 7 N -0.62 1.27 0.02 -3.49 -0.85 -1.18 -4.80 117.35 107.70 2aiv s TYR 7 Ca 0.10 -0.66 0.06 0.00 -0.52 0.00 0.00 57.07 56.05 2aiv s TYR 7 Cb -0.10 -0.66 -0.02 0.00 0.38 0.00 0.00 41.96 41.56 2aiv s TYR 7 CO -0.01 0.09 -0.17 0.42 -1.52 0.00 0.00 175.55 174.36 2aiv s ILE 8 N -2.68 1.39 -0.70 -3.49 1.09 -1.26 -3.56 121.20 111.99 2aiv s ILE 8 Ca 0.11 -0.95 0.05 0.00 -1.10 0.00 0.00 60.65 58.76 2aiv s ILE 8 Cb -0.02 -1.20 0.20 0.00 -1.06 0.00 0.00 42.46 40.38 2aiv s ILE 8 CO 0.01 0.23 0.59 -1.20 -0.10 0.00 0.00 174.94 174.48 2aiv n SER 9 N 2.20 3.35 -4.84 3.58 7.64 0.11 -3.27 113.62 122.38 2aiv n SER 9 Ca -0.16 -3.28 -0.30 0.00 1.01 0.00 0.00 58.87 56.13 2aiv n SER 9 Cb 0.54 -0.76 -0.04 0.00 -1.01 0.00 0.00 64.21 62.95 2aiv n SER 9 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2aiv s PRO 10 N -1.77 2.23 1.05 1.43 0.04 -1.26 -2.09 135.00 134.63 2aiv s PRO 10 Ca 0.29 -2.26 -0.12 0.00 0.04 0.00 0.00 61.00 58.95 2aiv s PRO 10 Cb 0.01 -1.78 0.20 0.00 0.04 0.00 0.00 34.50 32.97 2aiv s PRO 10 CO -0.12 -0.53 0.93 -1.13 0.04 0.00 0.00 177.00 176.19 2aiv n SER 11 N -1.54 -1.02 -0.32 6.66 3.41 -1.20 -4.63 113.62 114.98 2aiv n SER 11 Ca -0.12 0.11 -0.04 0.00 -0.26 0.00 0.00 58.87 58.56 2aiv n SER 11 Cb 0.66 -1.32 0.10 0.00 -0.26 0.00 0.00 64.21 63.39 2aiv n SER 11 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2aiv h LEU 12 N -2.24 1.11 -0.37 1.04 4.07 -1.95 0.94 115.31 117.91 2aiv h LEU 12 Ca -0.52 -0.10 -0.07 0.00 0.08 0.00 0.00 57.88 57.27 2aiv h LEU 12 Cb 1.31 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 2aiv h LEU 12 CO 0.44 0.89 -0.06 0.44 -1.08 0.00 0.00 178.44 179.07 2aiv h ASP 13 N 1.24 0.69 -0.97 -0.43 3.32 -1.94 -2.40 116.42 115.92 2aiv h ASP 13 Ca 0.31 -0.34 0.01 0.00 0.02 0.00 0.00 57.03 57.03 2aiv h ASP 13 Cb 0.03 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 2aiv h ASP 13 CO -0.05 0.87 0.64 0.74 -1.72 0.00 0.00 179.24 179.72 2aiv h THR 14 N 0.49 1.25 -0.86 0.35 2.02 -1.75 -2.49 112.91 111.93 2aiv h THR 14 Ca 0.10 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 2aiv h THR 14 Cb 0.55 -0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 2aiv h THR 14 CO 0.03 0.24 0.46 0.25 0.37 0.00 0.00 175.52 176.87 2aiv h LEU 15 N 1.32 1.08 -2.84 2.58 6.46 -0.59 -1.68 115.31 121.63 2aiv h LEU 15 Ca 0.36 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 58.01 2aiv h LEU 15 Cb -0.15 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 39.50 2aiv h LEU 15 CO -0.08 0.88 -0.00 0.77 -0.62 0.00 0.00 178.44 179.39 2aiv h SER 16 N 1.20 0.00 0.02 1.25 4.64 -0.96 0.12 113.55 119.82 2aiv h SER 16 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2aiv h SER 16 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2aiv h SER 16 CO -0.05 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.71 2aiv n SER 17 N -3.10 0.00 -4.79 4.97 7.64 -0.63 -4.83 113.62 112.88 2aiv n SER 17 Ca -0.03 -0.77 -0.31 0.00 1.01 0.00 0.00 58.87 58.78 2aiv n SER 17 Cb 0.09 -0.01 0.08 0.00 -1.01 0.00 0.00 64.21 63.36 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 -2.02 2.79 1.02 1.43 1.51 0.42 -5.05 117.35 117.44 2aiv s TYR 18 Ca 0.38 1.49 -0.16 0.00 -1.01 0.00 0.00 57.07 57.77 2aiv s TYR 18 Cb 0.17 -2.98 0.21 0.00 -0.11 0.00 0.00 41.96 39.25 2aiv s TYR 18 CO 0.30 -1.58 1.21 -1.12 -1.11 0.00 0.00 175.55 173.24 2aiv s SER 19 N -3.56 2.58 0.12 2.29 0.01 -1.26 -4.65 113.70 109.24 2aiv s SER 19 Ca 0.60 0.56 -0.19 0.00 1.31 0.00 0.00 55.95 58.22 2aiv s SER 19 Cb -0.16 -0.80 -0.06 0.00 0.21 0.00 0.00 66.02 65.21 2aiv s SER 19 CO 0.56 -3.09 1.76 0.25 0.41 0.00 0.00 173.24 173.13 2aiv h LEU 20 N -1.88 0.25 -0.29 2.44 5.85 -1.98 0.27 115.31 119.98 2aiv h LEU 20 Ca -0.46 -0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.08 2aiv h LEU 20 Cb 1.28 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 2aiv h LEU 20 CO 0.43 0.21 -0.40 0.25 -0.34 0.00 0.00 178.44 178.59 2aiv h LEU 21 N 0.28 0.86 -0.84 2.25 6.46 -1.99 -2.80 115.31 119.53 2aiv h LEU 21 Ca 0.08 -0.50 -0.01 0.00 -0.12 0.00 0.00 57.88 57.32 2aiv h LEU 21 Cb -0.01 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 39.64 2aiv h LEU 21 CO -0.02 1.19 0.47 -0.61 -0.62 0.00 0.00 178.44 178.85 2aiv h GLN 22 N 0.55 1.16 -0.58 1.25 5.75 -1.78 -2.25 115.11 119.21 2aiv h GLN 22 Ca 0.03 -0.13 -0.10 0.00 -0.15 0.00 0.00 58.65 58.30 2aiv h GLN 22 Cb 0.99 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 29.29 2aiv h GLN 22 CO 0.09 0.85 -0.02 -0.07 -2.65 0.00 0.00 178.83 177.03 2aiv h LEU 23 N 1.16 1.02 -0.73 -2.39 3.38 -0.46 -3.15 115.31 114.15 2aiv h LEU 23 Ca 0.30 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2aiv h LEU 23 Cb 0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2aiv h LEU 23 CO -0.05 1.09 0.27 0.03 0.09 0.00 0.00 178.44 179.87 2aiv h ARG 24 N 0.93 1.10 -4.69 1.13 3.08 -1.21 -3.16 114.38 111.56 2aiv h ARG 24 Ca 0.16 -0.21 -0.67 0.00 0.07 0.00 0.00 59.98 59.33 2aiv h ARG 24 Cb 0.58 -0.17 -0.38 0.00 0.08 0.00 0.00 29.97 30.08 2aiv h ARG 24 CO 0.03 0.92 -0.70 0.15 -1.07 0.00 0.00 179.97 179.30 2aiv s LYS 25 N -5.50 1.83 -0.83 0.04 1.02 -0.87 0.37 119.74 115.80 2aiv s LYS 25 Ca -0.12 -1.70 -0.25 0.00 0.02 0.00 0.00 55.97 53.92 2aiv s LYS 25 Cb 0.15 -3.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.23 2aiv s LYS 25 CO 0.83 -0.86 1.78 0.14 -0.92 0.00 0.00 175.35 176.32 2aiv s VAL 26 N 1.02 3.53 0.00 3.17 -7.23 -1.08 -4.75 120.40 115.07 2aiv s VAL 26 Ca 0.05 -0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 2aiv s VAL 26 Cb -0.20 -4.26 0.00 0.00 0.56 0.00 0.00 36.38 32.48 2aiv s VAL 26 CO -0.06 -1.19 0.19 -2.65 -0.31 0.00 0.00 175.10 171.08 2aiv n PRO 27 N 9.00 0.00 -3.23 4.82 -0.02 -1.26 -3.82 135.00 140.49 2aiv n PRO 27 Ca 0.30 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 61.33 2aiv n PRO 27 Cb 0.49 -0.62 -0.05 0.00 -0.02 0.00 0.00 33.50 33.30 2aiv n PRO 27 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2aiv s HIS 28 N -0.38 3.15 -0.13 6.00 3.76 -1.26 -4.03 115.29 122.40 2aiv s HIS 28 Ca 0.00 -1.16 0.02 0.00 -0.15 0.00 0.00 55.06 53.77 2aiv s HIS 28 Cb 0.00 -3.89 0.01 0.00 1.11 0.00 0.00 32.58 29.81 2aiv s HIS 28 CO 0.00 -1.13 -0.19 -0.51 -0.85 0.00 0.00 174.74 172.06 2aiv s LEU 29 N 2.04 1.94 -0.18 0.89 1.02 -1.21 -4.62 118.68 118.56 2aiv s LEU 29 Ca 0.06 -0.54 0.01 0.00 0.02 0.00 0.00 54.13 53.69 2aiv s LEU 29 Cb -0.28 -1.30 0.02 0.00 0.02 0.00 0.00 46.19 44.65 2aiv s LEU 29 CO 0.04 0.04 -0.20 -0.69 0.02 0.00 0.00 176.35 175.56 2aiv s VAL 30 N 0.97 2.06 -0.05 -1.59 1.01 -0.89 -1.76 120.40 120.15 2aiv s VAL 30 Ca -0.05 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2aiv s VAL 30 Cb -0.15 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.39 2aiv s VAL 30 CO -0.04 0.54 -0.08 0.54 0.00 0.00 0.00 175.10 176.06 2aiv s VAL 31 N 1.29 0.79 -0.03 2.92 0.11 0.69 0.06 120.40 126.22 2aiv s VAL 31 Ca 0.05 -0.28 -0.31 0.00 -2.93 0.00 0.00 61.98 58.51 2aiv s VAL 31 Cb -0.13 -0.76 0.13 0.00 -1.53 0.00 0.00 36.38 34.09 2aiv s VAL 31 CO -0.13 0.28 1.32 -0.83 -3.33 0.00 0.00 175.10 172.41 2aiv s GLY 32 N 0.77 -0.43 -0.21 6.54 0.00 -1.23 -0.06 107.32 112.69 2aiv s GLY 32 Ca -0.13 0.76 0.12 0.00 0.00 0.00 0.00 44.72 45.48 2aiv s GLY 32 CO 0.02 0.14 1.28 1.42 0.00 0.00 0.00 173.10 175.95 2aiv n HIS 33 N -0.49 0.31 0.00 1.90 8.25 -1.18 -3.13 115.22 120.88 2aiv n HIS 33 Ca -0.09 -1.41 0.00 0.00 -0.26 0.00 0.00 57.72 55.97 2aiv n HIS 33 Cb 0.63 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.14 0.00 -0.36 -0.41 5.02 -1.26 -2.87 118.16 117.14 2aiv n LYS 34 Ca 0.22 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.48 2aiv n LYS 34 Cb 0.78 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.89 2aiv n LYS 34 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2aiv h SER 35 N 0.00 1.10 -0.85 4.39 0.02 -1.96 -2.45 113.55 113.81 2aiv h SER 35 Ca 0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2aiv h SER 35 Cb 0.00 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 2aiv h SER 35 CO 0.00 0.81 0.47 1.88 -1.14 0.00 0.00 176.83 178.84 2aiv h TYR 36 N 1.30 1.17 0.00 3.45 -1.99 -1.93 -3.44 116.97 115.52 2aiv h TYR 36 Ca 0.35 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.05 2aiv h TYR 36 Cb -0.14 -0.37 0.00 0.00 2.00 0.00 0.00 36.73 38.22 2aiv h TYR 36 CO -0.00 0.81 0.00 0.41 -0.00 0.00 0.00 178.16 179.38 2aiv n GLY 37 N -1.12 4.35 3.75 3.88 0.00 -0.92 -4.37 105.19 110.76 2aiv n GLY 37 Ca 0.09 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 2aiv n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aiv s LYS 38 N -4.81 4.08 -0.01 1.61 1.02 -1.24 -3.11 119.74 117.28 2aiv s LYS 38 Ca 0.00 -0.15 0.04 0.00 0.02 0.00 0.00 55.97 55.89 2aiv s LYS 38 Cb 0.00 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.92 2aiv s LYS 38 CO 0.00 0.37 -0.14 0.42 -0.92 0.00 0.00 175.35 175.08 2aiv s ILE 39 N 0.15 1.10 -0.03 2.17 1.01 0.91 -3.18 121.20 123.33 2aiv s ILE 39 Ca 0.11 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.21 2aiv s ILE 39 Cb -0.12 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.43 2aiv s ILE 39 CO 0.00 0.31 -0.17 -1.61 0.00 0.00 0.00 174.94 173.48 2aiv s GLU 40 N -0.32 1.56 -0.12 2.79 2.02 -0.79 -0.22 118.70 123.62 2aiv s GLU 40 Ca 0.05 -0.59 0.03 0.00 0.02 0.00 0.00 54.97 54.48 2aiv s GLU 40 Cb -0.05 -1.42 -0.00 0.00 0.10 0.00 0.00 34.13 32.75 2aiv s GLU 40 CO -0.00 0.29 -0.20 -0.06 0.02 0.00 0.00 175.26 175.30 2aiv s PHE 41 N -0.14 2.65 -0.55 1.61 0.40 -0.72 -1.57 117.98 119.66 2aiv s PHE 41 Ca 0.01 -0.97 0.13 0.00 -0.60 0.00 0.00 56.93 55.49 2aiv s PHE 41 Cb -0.09 -1.77 0.38 0.00 0.51 0.00 0.00 43.02 42.05 2aiv s PHE 41 CO 0.01 -0.39 1.30 1.28 0.70 0.00 0.00 175.22 178.12 2aiv n LEU 42 N 3.61 3.23 -4.94 -0.37 4.32 -1.22 -3.31 117.00 118.32 2aiv n LEU 42 Ca -0.19 -2.44 -0.29 0.00 -0.02 0.00 0.00 56.01 53.07 2aiv n LEU 42 Cb 0.53 -0.35 0.16 0.00 -1.62 0.00 0.00 43.42 42.14 2aiv n LEU 42 CO 0.29 0.69 0.81 -1.83 -1.22 0.00 0.00 177.39 176.13 2aiv s GLU 43 N -1.79 0.97 -1.05 3.23 -1.05 -1.25 -4.75 118.70 113.01 2aiv s GLU 43 Ca 0.30 -0.49 -0.06 0.00 -0.15 0.00 0.00 54.97 54.57 2aiv s GLU 43 Cb 0.21 -1.95 0.27 0.00 -0.44 0.00 0.00 34.13 32.22 2aiv s GLU 43 CO 0.12 -2.15 1.13 -0.35 0.95 0.00 0.00 175.26 174.96 2aiv n PRO 44 N -3.54 3.56 -1.39 -4.83 -0.04 -1.26 -2.62 135.00 124.88 2aiv n PRO 44 Ca 0.14 -4.50 -0.37 0.00 -0.04 0.00 0.00 63.50 58.74 2aiv n PRO 44 Cb 0.60 -2.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.49 2aiv n PRO 44 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2aiv n VAL 45 N 2.18 1.51 -1.52 0.52 0.31 -0.92 -4.69 118.33 115.73 2aiv n VAL 45 Ca 0.24 -1.42 -0.27 0.00 -0.01 0.00 0.00 64.34 62.89 2aiv n VAL 45 Cb 0.37 -2.21 -0.15 0.00 -0.91 0.00 0.00 33.84 30.94 2aiv n VAL 45 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2aiv n ASP 46 N 10.66 0.10 -0.60 4.52 10.43 0.16 -4.48 116.55 137.34 2aiv n ASP 46 Ca 0.47 -0.56 0.07 0.00 2.57 0.00 0.00 54.79 57.34 2aiv n ASP 46 Cb 0.43 -0.99 0.09 0.00 1.84 0.00 0.00 41.12 42.49 2aiv n ASP 46 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2aiv n LEU 47 N 10.75 2.35 -0.37 0.64 4.77 -1.20 -4.55 117.00 129.41 2aiv n LEU 47 Ca 0.59 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 2aiv n LEU 47 Cb 0.22 -0.06 0.14 0.00 -2.33 0.00 0.00 43.42 41.39 2aiv n LEU 47 CO 0.90 0.48 1.28 0.00 -1.33 0.00 0.00 177.39 178.72 2aiv h ALA 48 N 2.62 1.34 -2.07 -1.18 0.00 -1.83 -3.36 119.26 114.77 2aiv h ALA 48 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2aiv h ALA 48 Cb 0.61 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2aiv h ALA 48 CO 0.00 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.23 2aiv n GLY 49 N -1.38 0.60 3.56 0.00 0.00 -1.26 -4.76 105.19 101.95 2aiv n GLY 49 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.31 3.48 -0.03 -0.61 -0.00 -1.26 -4.86 121.20 117.61 2aiv s ILE 50 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 60.65 60.33 2aiv s ILE 50 Cb 0.00 -4.11 0.04 0.00 -0.00 0.00 0.00 42.46 38.39 2aiv s ILE 50 CO 0.00 -1.05 1.05 -0.81 -0.00 0.00 0.00 174.94 174.13 2aiv n PRO 51 N 8.91 1.07 -0.35 0.37 -0.04 -1.26 -4.29 135.00 139.41 2aiv n PRO 51 Ca 0.36 -0.16 -0.03 0.00 -0.04 0.00 0.00 63.50 63.63 2aiv n PRO 51 Cb 0.48 -1.07 0.10 0.00 -0.04 0.00 0.00 33.50 32.97 2aiv n PRO 51 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 2aiv h LEU 52 N 0.99 1.08 -1.64 1.53 8.10 -1.90 -2.21 115.31 121.27 2aiv h LEU 52 Ca 0.03 -0.03 0.19 0.00 0.11 0.00 0.00 57.88 58.18 2aiv h LEU 52 Cb 1.10 -0.27 -0.05 0.00 -0.44 0.00 0.00 40.66 41.00 2aiv h LEU 52 CO 0.06 0.78 0.55 0.71 -4.11 0.00 0.00 178.44 176.43 2aiv h THR 53 N 1.27 0.71 -0.00 0.15 1.35 -1.97 0.46 112.91 114.89 2aiv h THR 53 Ca 0.35 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 2aiv h THR 53 Cb -0.14 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 66.64 2aiv h THR 53 CO -0.08 0.06 -0.02 -1.20 -0.25 0.00 0.00 175.52 174.03 2aiv n SER 54 N -4.46 0.04 -0.34 5.36 7.64 -0.83 -3.27 113.62 117.76 2aiv n SER 54 Ca 0.17 0.19 -0.03 0.00 1.01 0.00 0.00 58.87 60.20 2aiv n SER 54 Cb 0.66 -0.37 0.09 0.00 -1.01 0.00 0.00 64.21 63.58 2aiv n SER 54 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2aiv h LEU 55 N 0.03 1.07 0.00 -3.43 3.38 -0.04 -3.45 115.31 112.87 2aiv h LEU 55 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2aiv h LEU 55 Cb 0.42 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2aiv h LEU 55 CO 0.00 0.80 0.00 0.61 0.09 0.00 0.00 178.44 179.94 2aiv n GLY 56 N -1.28 0.02 0.00 0.83 0.00 -1.24 -4.99 105.19 98.53 2aiv n GLY 56 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 1.71 0.38 -0.02 0.00 -1.20 -5.02 105.19 101.04 2aiv n GLY 57 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.99 1.61 2.07 -1.85 -2.45 116.25 115.90 2aiv h VAL 58 Ca 0.00 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.05 2aiv h VAL 58 Cb 0.00 -0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 29.51 2aiv h VAL 58 CO 0.00 0.25 0.66 -0.29 0.02 0.00 0.00 177.57 178.21 2aiv h ILE 59 N 1.36 1.24 -3.76 4.57 2.10 -1.91 -3.39 117.51 117.72 2aiv h ILE 59 Ca 0.37 -0.46 -0.65 0.00 1.08 0.00 0.00 64.86 65.20 2aiv h ILE 59 Cb -0.15 -0.20 -0.20 0.00 -1.09 0.00 0.00 36.82 35.18 2aiv h ILE 59 CO -0.08 0.24 -0.56 -0.63 -1.08 0.00 0.00 178.15 176.04 2aiv s ILE 60 N -6.12 4.82 -0.01 2.19 1.01 -0.92 -4.77 121.20 117.40 2aiv s ILE 60 Ca -0.13 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.51 2aiv s ILE 60 Cb 0.18 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 2aiv s ILE 60 CO 0.82 0.25 -0.13 -0.89 0.00 0.00 0.00 174.94 174.99 2aiv s THR 61 N 1.68 1.01 -0.27 2.92 2.01 -1.23 -4.88 115.64 116.89 2aiv s THR 61 Ca 0.06 -0.55 -0.00 0.00 0.31 0.00 0.00 61.69 61.51 2aiv s THR 61 Cb -0.16 -0.84 0.08 0.00 0.01 0.00 0.00 72.50 71.59 2aiv s THR 61 CO 0.07 0.28 0.04 0.12 -0.69 0.00 0.00 174.62 174.44 2aiv s PHE 62 N -0.31 2.00 0.24 4.92 5.36 -1.26 -2.91 117.98 126.02 2aiv s PHE 62 Ca 0.05 -1.71 -0.30 0.00 -0.96 0.00 0.00 56.93 54.01 2aiv s PHE 62 Cb -0.05 -1.67 -0.09 0.00 -0.34 0.00 0.00 43.02 40.87 2aiv s PHE 62 CO -0.00 -0.80 0.94 -1.21 -1.46 0.00 0.00 175.22 172.69 2aiv s GLU 63 N 1.52 4.86 -0.35 10.12 2.02 0.13 -4.92 118.70 132.09 2aiv s GLU 63 Ca 0.03 1.49 -0.04 0.00 0.02 0.00 0.00 54.97 56.47 2aiv s GLU 63 Cb -0.18 -3.28 -0.11 0.00 0.10 0.00 0.00 34.13 30.66 2aiv s GLU 63 CO -0.14 0.51 2.18 -2.30 0.02 0.00 0.00 175.26 175.53 2aiv n PRO 64 N 1.48 1.48 0.00 0.39 -0.02 -1.26 -1.82 135.00 135.24 2aiv n PRO 64 Ca -0.02 -0.90 0.00 0.00 -2.02 0.00 0.00 63.50 60.56 2aiv n PRO 64 Cb 0.47 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 2aiv n PRO 64 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2aiv n LYS 65 N 3.30 0.00 -3.98 -0.52 4.81 -1.26 -5.00 118.16 115.50 2aiv n LYS 65 Ca 0.32 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.66 2aiv n LYS 65 Cb 0.36 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.30 2aiv n LYS 65 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2aiv s THR 66 N 0.00 0.13 -0.12 3.15 2.01 -0.76 -4.92 115.64 115.13 2aiv s THR 66 Ca 0.00 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.08 2aiv s THR 66 Cb 0.00 -0.28 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 2aiv s THR 66 CO 0.00 -0.50 -0.15 0.00 -0.69 0.00 0.00 174.62 173.28 2aiv s ILE 68 N 0.33 2.87 -0.00 0.00 -1.09 -1.15 -4.93 121.20 117.23 2aiv s ILE 68 Ca -0.12 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.63 2aiv s ILE 68 Cb -0.16 -2.28 -0.00 0.00 -1.58 0.00 0.00 42.46 38.44 2aiv s ILE 68 CO 0.06 0.47 0.00 2.30 -1.23 0.00 0.00 174.94 176.54 2aiv n ILE 69 N 4.73 0.00 -0.09 2.92 -5.35 -1.26 -3.55 119.36 116.75 2aiv n ILE 69 Ca -0.19 -0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.17 2aiv n ILE 69 Cb 0.50 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 2aiv n ILE 69 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 2aiv h TYR 70 N 0.00 1.04 -4.40 4.28 0.05 -1.91 -3.49 116.97 112.54 2aiv h TYR 70 Ca -0.00 -0.32 0.00 0.00 0.05 0.00 0.00 58.73 58.46 2aiv h TYR 70 Cb 0.04 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.56 2aiv h TYR 70 CO 0.00 1.12 -0.19 0.00 -1.05 0.00 0.00 178.16 178.04 2aiv n ALA 71 N -2.54 -2.69 -3.10 3.88 0.00 -1.26 -3.79 120.51 111.01 2aiv n ALA 71 Ca -0.02 0.46 -0.20 0.00 0.00 0.00 0.00 53.44 53.68 2aiv n ALA 71 Cb 0.55 -1.80 -0.00 0.00 0.00 0.00 0.00 19.45 18.19 2aiv n ALA 71 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2aiv n ASN 72 N -0.77 -3.75 -4.56 0.00 0.23 -1.26 -4.86 115.26 100.29 2aiv n ASN 72 Ca 0.05 -0.22 -0.27 0.00 -0.53 0.00 0.00 54.58 53.60 2aiv n ASN 72 Cb 0.36 -3.13 -0.05 0.00 -2.08 0.00 0.00 39.78 34.88 2aiv n ASN 72 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2aiv s LEU 73 N -6.24 3.17 0.00 -4.53 0.20 -1.25 -4.88 118.68 105.16 2aiv s LEU 73 Ca 0.29 -0.55 -0.03 0.00 0.69 0.00 0.00 54.13 54.53 2aiv s LEU 73 Cb -0.15 -2.56 -0.15 0.00 -0.43 0.00 0.00 46.19 42.91 2aiv s LEU 73 CO 0.35 -2.74 2.22 -0.81 -0.29 0.00 0.00 176.35 175.09 2aiv n PRO 74 N 8.89 1.11 -2.81 0.98 -0.04 -1.26 -4.48 135.00 137.38 2aiv n PRO 74 Ca 0.38 -0.54 -0.22 0.00 -0.04 0.00 0.00 63.50 63.08 2aiv n PRO 74 Cb 0.47 -1.76 0.02 0.00 -0.04 0.00 0.00 33.50 32.20 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 2.67 -6.10 -3.66 3.54 3.02 -1.26 -4.95 115.26 108.51 2aiv n ASN 75 Ca 0.23 -0.20 -0.28 0.00 -0.03 0.00 0.00 54.58 54.31 2aiv n ASN 75 Cb 0.51 -4.98 -0.11 0.00 -0.61 0.00 0.00 39.78 34.59 2aiv n ASN 75 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2aiv s ARG 76 N -5.49 1.73 -0.25 3.52 0.52 -1.26 -4.96 118.95 112.76 2aiv s ARG 76 Ca 0.20 -2.77 0.01 0.00 -0.52 0.00 0.00 55.73 52.65 2aiv s ARG 76 Cb -0.09 -2.48 0.28 0.00 0.52 0.00 0.00 34.95 33.18 2aiv s ARG 76 CO 0.25 -1.33 1.64 -0.35 0.02 0.00 0.00 175.30 175.53 2aiv n PRO 77 N 2.38 1.67 -0.29 3.54 -0.04 -1.26 -4.43 135.00 136.57 2aiv n PRO 77 Ca 0.24 -1.48 -0.03 0.00 -0.04 0.00 0.00 63.50 62.20 2aiv n PRO 77 Cb 0.41 -1.58 0.13 0.00 -0.04 0.00 0.00 33.50 32.43 2aiv n PRO 77 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2aiv h LYS 78 N 0.83 1.15 -6.93 0.54 1.57 -1.94 -3.43 116.57 108.36 2aiv h LYS 78 Ca 0.30 -0.13 -0.54 0.00 -1.87 0.00 0.00 60.65 58.41 2aiv h LYS 78 Cb 1.55 -0.23 0.10 0.00 0.08 0.00 0.00 32.23 33.73 2aiv h LYS 78 CO 0.61 0.85 0.78 1.03 -0.57 0.00 0.00 179.45 182.14 2aiv s ARG 79 N -5.76 4.12 0.00 3.15 0.52 -1.26 -4.85 118.95 114.87 2aiv s ARG 79 Ca -0.12 2.55 0.03 0.00 -0.52 0.00 0.00 55.73 57.67 2aiv s ARG 79 Cb 0.17 -2.98 0.19 0.00 0.52 0.00 0.00 34.95 32.85 2aiv s ARG 79 CO 0.82 -0.52 0.61 0.41 0.02 0.00 0.00 175.30 176.64 2aiv n GLY 80 N 0.59 -0.43 3.71 -3.53 0.00 -1.26 -4.66 105.19 99.61 2aiv n GLY 80 Ca 0.01 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2aiv n GLY 80 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2aiv s GLU 81 N -2.00 4.14 0.00 1.61 2.12 -1.26 -4.78 118.70 118.53 2aiv s GLU 81 Ca 0.05 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.13 2aiv s GLU 81 Cb 0.02 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 31.04 2aiv s GLU 81 CO 0.04 0.29 0.00 0.41 -0.54 0.00 0.00 175.26 175.46 2aiv n GLY 82 N 3.52 0.75 3.57 -1.50 0.00 -1.26 -4.99 105.19 105.27 2aiv n GLY 82 Ca -0.16 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 2aiv n GLY 82 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2aiv s ILE 83 N -0.62 5.15 -0.02 -0.61 2.07 -1.26 -5.07 121.20 120.84 2aiv s ILE 83 Ca 0.00 0.12 -0.23 0.00 -1.41 0.00 0.00 60.65 59.12 2aiv s ILE 83 Cb 0.00 -3.45 -0.05 0.00 0.13 0.00 0.00 42.46 39.10 2aiv s ILE 83 CO 0.00 0.27 0.71 0.20 -1.91 0.00 0.00 174.94 174.20 2aiv s ASN 84 N 1.73 7.06 0.00 4.50 0.01 -1.26 -4.71 114.94 122.27 2aiv s ASN 84 Ca 0.07 1.28 0.00 0.00 -0.71 0.00 0.00 52.86 53.49 2aiv s ASN 84 Cb -0.16 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.08 2aiv s ASN 84 CO 0.10 -0.03 0.00 0.52 -1.51 0.00 0.00 177.10 176.17 2aiv n VAL 85 N 3.26 0.00 -2.12 1.60 0.31 -1.26 -3.58 118.33 116.54 2aiv n VAL 85 Ca -0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.01 2aiv n VAL 85 Cb 0.51 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.39 2aiv n VAL 85 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2aiv s ARG 86 N 0.33 2.67 0.04 5.55 0.52 -1.26 -4.02 118.95 122.79 2aiv s ARG 86 Ca 0.00 -0.85 0.09 0.00 -0.52 0.00 0.00 55.73 54.45 2aiv s ARG 86 Cb 0.00 -5.19 -0.03 0.00 0.52 0.00 0.00 34.95 30.25 2aiv s ARG 86 CO 0.00 -3.53 -0.24 0.00 0.02 0.00 0.00 175.30 171.55 2aiv s ALA 87 N 9.89 2.35 -0.15 2.13 0.00 -1.26 -3.39 121.76 131.33 2aiv s ALA 87 Ca 0.67 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 2aiv s ALA 87 Cb -0.03 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 2aiv s ALA 87 CO 0.06 0.54 -0.11 0.50 0.00 0.00 0.00 175.76 176.75 2aiv s ARG 88 N -1.28 3.39 -0.18 0.00 3.52 -0.61 -3.65 118.95 120.14 2aiv s ARG 88 Ca 0.12 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 55.06 2aiv s ARG 88 Cb -0.10 -2.70 0.01 0.00 -1.56 0.00 0.00 34.95 30.60 2aiv s ARG 88 CO 0.03 0.15 -0.17 -1.50 -0.81 0.00 0.00 175.30 173.00 2aiv s ILE 89 N 0.53 2.40 -0.10 4.11 2.07 -1.22 -1.88 121.20 127.10 2aiv s ILE 89 Ca -0.08 -0.84 0.04 0.00 -1.41 0.00 0.00 60.65 58.36 2aiv s ILE 89 Cb -0.15 -2.02 0.00 0.00 0.13 0.00 0.00 42.46 40.42 2aiv s ILE 89 CO 0.04 0.52 -0.24 -0.89 -1.91 0.00 0.00 174.94 172.46 2aiv s THR 90 N 1.16 2.08 -0.01 4.00 2.01 -1.19 -3.63 115.64 120.06 2aiv s THR 90 Ca 0.01 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 61.05 2aiv s THR 90 Cb -0.14 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.57 2aiv s THR 90 CO -0.07 0.56 -0.13 0.00 -0.69 0.00 0.00 174.62 174.28 2aiv n PHE 92 N 2.75 0.78 -3.35 0.00 -1.74 -1.26 -3.70 117.46 110.94 2aiv n PHE 92 Ca -0.14 -0.35 -0.44 0.00 -0.56 0.00 0.00 57.45 55.96 2aiv n PHE 92 Cb 0.55 -0.07 -0.07 0.00 1.52 0.00 0.00 39.48 41.41 2aiv n PHE 92 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 2aiv s ASN 93 N -0.90 6.16 0.16 5.98 2.47 -1.26 -4.75 114.94 122.80 2aiv s ASN 93 Ca 0.32 -1.27 0.00 0.00 0.42 0.00 0.00 52.86 52.34 2aiv s ASN 93 Cb 0.19 -2.20 0.00 0.00 -1.45 0.00 0.00 41.25 37.78 2aiv s ASN 93 CO 0.19 -0.69 0.00 0.00 -3.72 0.00 0.00 177.10 172.88 2aiv s TYR 95 N -2.00 1.84 0.48 0.00 6.14 -1.26 -4.97 117.35 117.58 2aiv s TYR 95 Ca 0.00 0.53 0.02 0.00 0.64 0.00 0.00 57.07 58.27 2aiv s TYR 95 Cb 0.00 -4.13 0.02 0.00 0.42 0.00 0.00 41.96 38.28 2aiv s TYR 95 CO 0.00 -1.93 0.20 -0.35 0.64 0.00 0.00 175.55 174.11 2aiv n PRO 96 N 8.97 0.82 -3.50 4.97 -0.04 -1.26 -5.08 135.00 139.87 2aiv n PRO 96 Ca 0.33 -3.22 -0.38 0.00 -0.04 0.00 0.00 63.50 60.19 2aiv n PRO 96 Cb 0.49 0.60 -0.06 0.00 -0.04 0.00 0.00 33.50 34.48 2aiv n PRO 96 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2aiv s VAL 97 N -2.55 5.03 -0.73 0.52 1.01 -1.26 -4.55 120.40 117.87 2aiv s VAL 97 Ca 0.15 0.84 -0.26 0.00 0.00 0.00 0.00 61.98 62.71 2aiv s VAL 97 Cb -0.01 -3.71 0.04 0.00 0.00 0.00 0.00 36.38 32.69 2aiv s VAL 97 CO 0.09 0.58 1.22 -0.62 0.00 0.00 0.00 175.10 176.37 2aiv s ASP 98 N -1.06 6.17 0.17 3.32 3.68 0.30 -4.87 116.67 124.38 2aiv s ASP 98 Ca 0.24 -0.57 -0.08 0.00 2.13 0.00 0.00 52.55 54.27 2aiv s ASP 98 Cb -0.17 -2.53 0.05 0.00 -1.45 0.00 0.00 42.92 38.83 2aiv s ASP 98 CO 0.13 -1.76 1.54 0.11 0.13 0.00 0.00 175.17 175.33 2aiv h LYS 99 N 9.93 0.86 -0.41 4.34 1.57 -1.92 1.04 116.57 131.98 2aiv h LYS 99 Ca -0.28 -0.41 0.06 0.00 -1.87 0.00 0.00 60.65 58.14 2aiv h LYS 99 Cb 1.05 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 2aiv h LYS 99 CO 1.26 1.06 0.27 0.77 -0.57 0.00 0.00 179.45 182.24 2aiv h SER 100 N 0.72 0.27 0.00 0.86 0.02 -1.96 -2.67 113.55 110.79 2aiv h SER 100 Ca 0.07 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2aiv h SER 100 Cb 0.89 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2aiv h SER 100 CO 0.08 0.18 0.00 0.35 -1.14 0.00 0.00 176.83 176.30 2aiv n THR 101 N -4.48 0.71 -1.59 -2.27 -2.24 -1.18 -4.97 114.28 98.26 2aiv n THR 101 Ca 0.05 -0.80 -0.20 0.00 -2.27 0.00 0.00 64.05 60.83 2aiv n THR 101 Cb 0.25 0.67 -0.09 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.35 -1.41 -1.95 -0.78 1.74 0.28 -4.91 116.66 109.28 2aiv n ARG 102 Ca 0.00 1.21 -0.42 0.00 -0.77 0.00 0.00 57.85 57.87 2aiv n ARG 102 Cb 0.22 -5.58 -0.03 0.00 -1.02 0.00 0.00 32.46 26.06 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 -3.73 4.18 -0.87 5.56 -0.14 0.28 -4.83 119.74 120.19 2aiv s LYS 103 Ca 0.00 2.26 -0.02 0.00 -1.36 0.00 0.00 55.97 56.85 2aiv s LYS 103 Cb 0.00 -3.96 0.21 0.00 -1.68 0.00 0.00 37.83 32.40 2aiv s LYS 103 CO 0.00 -0.84 0.75 -1.25 -0.76 0.00 0.00 175.35 173.24 2aiv s PRO 104 N 3.92 3.21 -0.08 -1.68 0.04 -1.26 0.11 135.00 139.26 2aiv s PRO 104 Ca 0.75 -3.21 -0.30 0.00 0.04 0.00 0.00 61.00 58.29 2aiv s PRO 104 Cb -0.35 -3.94 -0.05 0.00 0.04 0.00 0.00 34.50 30.20 2aiv s PRO 104 CO 0.32 -1.26 1.60 0.42 0.04 0.00 0.00 177.00 178.12 2aiv s ILE 105 N -1.23 3.69 -0.13 0.56 1.01 -1.26 -4.89 121.20 118.95 2aiv s ILE 105 Ca 0.26 0.83 0.19 0.00 0.00 0.00 0.00 60.65 61.93 2aiv s ILE 105 Cb -0.08 -3.54 0.30 0.00 0.01 0.00 0.00 42.46 39.15 2aiv s ILE 105 CO -0.12 -0.08 1.16 1.17 0.00 0.00 0.00 174.94 177.08 2aiv n LYS 106 N 7.07 1.39 -3.86 2.79 4.81 -1.26 -4.88 118.16 124.21 2aiv n LYS 106 Ca 0.17 -2.58 -0.09 0.00 -0.87 0.00 0.00 58.31 54.94 2aiv n LYS 106 Cb 0.43 -1.51 -0.07 0.00 0.02 0.00 0.00 35.03 33.90 2aiv n LYS 106 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2aiv s ASP 107 N -2.81 0.13 -1.25 3.14 1.01 -1.26 -5.08 116.67 110.55 2aiv s ASP 107 Ca 0.32 -0.65 -0.08 0.00 0.71 0.00 0.00 52.55 52.85 2aiv s ASP 107 Cb 0.28 0.33 0.19 0.00 1.01 0.00 0.00 42.92 44.73 2aiv s ASP 107 CO 0.03 -0.72 1.86 -0.81 0.21 0.00 0.00 175.17 175.74 2aiv n PRO 108 N -0.03 3.88 -0.13 8.23 -0.04 -1.26 -4.63 135.00 141.02 2aiv n PRO 108 Ca -0.15 -3.71 0.12 0.00 -0.04 0.00 0.00 63.50 59.72 2aiv n PRO 108 Cb 0.62 -2.82 0.18 0.00 -0.04 0.00 0.00 33.50 31.44 2aiv n PRO 108 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2aiv n ASN 109 N 3.18 3.30 -3.56 3.54 5.15 -1.26 -4.96 115.26 120.65 2aiv n ASN 109 Ca 0.39 -1.99 -0.23 0.00 -0.60 0.00 0.00 54.58 52.15 2aiv n ASN 109 Cb 0.35 -0.17 0.08 0.00 -0.53 0.00 0.00 39.78 39.51 2aiv n ASN 109 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2aiv n HIS 110 N 1.44 -2.84 -0.35 1.20 8.25 -1.26 -4.90 115.22 116.76 2aiv n HIS 110 Ca 0.18 1.01 -0.03 0.00 -0.26 0.00 0.00 57.72 58.61 2aiv n HIS 110 Cb 0.60 -5.01 0.10 0.00 1.12 0.00 0.00 29.99 26.80 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 -2.65 1.26 0.00 -0.41 1.08 -1.93 -3.27 115.11 109.19 2aiv h GLN 111 Ca -0.56 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 56.54 2aiv h GLN 111 Cb 1.36 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 2aiv h GLN 111 CO 0.55 0.86 -0.18 1.47 -0.95 0.00 0.00 178.83 180.58 2aiv n LEU 112 N -4.39 0.95 -0.25 1.46 -0.00 -1.26 -4.83 117.00 108.68 2aiv n LEU 112 Ca 0.11 -1.52 -0.05 0.00 -0.00 0.00 0.00 56.01 54.55 2aiv n LEU 112 Cb 0.04 -0.12 0.05 0.00 -0.00 0.00 0.00 43.42 43.39 2aiv n LEU 112 CO 0.37 0.36 1.16 0.58 -0.00 0.00 0.00 177.39 179.87 2aiv h VAL 113 N 3.18 1.18 -0.81 1.47 2.07 -1.95 -2.20 116.25 119.20 2aiv h VAL 113 Ca 0.00 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 2aiv h VAL 113 Cb 1.07 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2aiv h VAL 113 CO 0.00 0.18 0.36 0.50 0.02 0.00 0.00 177.57 178.63 2aiv h LYS 114 N 0.95 1.18 -0.84 1.57 3.64 -1.88 -2.68 116.57 118.50 2aiv h LYS 114 Ca 0.26 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2aiv h LYS 114 Cb -0.10 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.47 2aiv h LYS 114 CO -0.05 0.93 0.42 0.00 -2.27 0.00 0.00 179.45 178.47 2aiv h ARG 115 N 1.16 1.21 -0.87 1.90 3.08 -1.82 -2.48 114.38 116.55 2aiv h ARG 115 Ca 0.27 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 2aiv h ARG 115 Cb 0.16 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 2aiv h ARG 115 CO -0.03 0.92 0.47 1.25 -1.07 0.00 0.00 179.97 181.52 2aiv h HIS 116 N 1.20 1.20 -0.62 3.04 2.76 -1.08 -2.05 115.15 119.60 2aiv h HIS 116 Ca 0.29 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.35 2aiv h HIS 116 Cb 0.10 -0.38 -0.02 0.00 1.55 0.00 0.00 27.41 28.66 2aiv h HIS 116 CO 0.01 0.84 0.08 0.82 -1.30 0.00 0.00 177.93 178.38 2aiv h ILE 117 N 1.22 1.26 -0.81 6.26 1.08 -1.24 -2.76 117.51 122.53 2aiv h ILE 117 Ca 0.31 -1.05 -0.04 0.00 -0.39 0.00 0.00 64.86 63.69 2aiv h ILE 117 Cb 0.04 0.72 -0.04 0.00 -3.07 0.00 0.00 36.82 34.47 2aiv h ILE 117 CO -0.05 0.39 0.36 -0.33 -0.69 0.00 0.00 178.15 177.83 2aiv h GLU 118 N 0.96 1.18 -0.62 2.37 5.08 -1.04 -1.29 114.58 121.21 2aiv h GLU 118 Ca 0.19 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2aiv h GLU 118 Cb 0.47 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2aiv h GLU 118 CO 0.02 0.93 0.37 -0.09 -1.00 0.00 0.00 179.01 179.24 2aiv h ARG 119 N 1.16 0.85 -0.33 2.33 9.65 -1.18 -2.16 114.38 124.69 2aiv h ARG 119 Ca 0.27 -0.08 -0.14 0.00 -1.10 0.00 0.00 59.98 58.94 2aiv h ARG 119 Cb 0.16 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 2aiv h ARG 119 CO -0.03 0.61 -0.36 1.37 2.80 0.00 0.00 179.97 184.35 2aiv h LEU 120 N 0.84 0.81 -0.88 3.80 8.10 -1.24 -3.07 115.31 123.68 2aiv h LEU 120 Ca 0.22 -0.36 0.01 0.00 0.11 0.00 0.00 57.88 57.87 2aiv h LEU 120 Cb -0.02 -0.23 -0.04 0.00 -0.44 0.00 0.00 40.66 39.93 2aiv h LEU 120 CO -0.04 1.09 0.58 0.11 -4.11 0.00 0.00 178.44 176.07 2aiv h LYS 121 N 0.64 1.16 -0.83 0.17 1.57 -0.94 -2.04 116.57 116.30 2aiv h LYS 121 Ca 0.06 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2aiv h LYS 121 Cb 0.91 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 2aiv h LYS 121 CO 0.08 0.77 0.52 0.87 -0.57 0.00 0.00 179.45 181.12 2aiv h LYS 122 N 1.19 1.11 -6.01 3.15 1.79 -1.31 -3.39 116.57 113.09 2aiv h LYS 122 Ca 0.32 -0.08 -0.50 0.00 -2.18 0.00 0.00 60.65 58.21 2aiv h LYS 122 Cb -0.14 -0.24 -0.04 0.00 -1.58 0.00 0.00 32.23 30.23 2aiv h LYS 122 CO -0.07 0.76 1.32 -0.80 -1.08 0.00 0.00 179.45 179.58 2aiv s ASN 123 N -6.29 5.36 -0.22 0.86 0.02 -0.77 -4.85 114.94 109.05 2aiv s ASN 123 Ca -0.12 0.24 0.01 0.00 -1.02 0.00 0.00 52.86 51.98 2aiv s ASN 123 Cb 0.18 -2.53 0.27 0.00 0.02 0.00 0.00 41.25 39.19 2aiv s ASN 123 CO 0.80 -2.33 1.55 -0.81 0.02 0.00 0.00 177.10 176.34 2aiv n PRO 124 N 9.21 1.60 -0.01 -0.60 -0.04 -1.26 -3.61 135.00 140.29 2aiv n PRO 124 Ca 0.19 -1.36 0.10 0.00 -0.04 0.00 0.00 63.50 62.39 2aiv n PRO 124 Cb 0.52 -1.53 -0.17 0.00 -0.04 0.00 0.00 33.50 32.28 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 -0.07 0.13 -4.18 3.54 3.02 -1.26 -4.96 115.26 111.47 2aiv n ASN 125 Ca 0.27 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.65 2aiv n ASN 125 Cb 0.91 1.96 -0.11 0.00 -0.61 0.00 0.00 39.78 41.93 2aiv n ASN 125 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2aiv s SER 126 N -4.47 1.62 -0.22 6.41 1.04 -1.24 -4.88 113.70 111.97 2aiv s SER 126 Ca -0.08 -0.72 -0.11 0.00 0.48 0.00 0.00 55.95 55.53 2aiv s SER 126 Cb 0.14 -0.03 -0.05 0.00 0.10 0.00 0.00 66.02 66.18 2aiv s SER 126 CO 0.89 -0.16 0.16 -0.75 0.98 0.00 0.00 173.24 174.35 2aiv s LYS 127 N -2.27 4.14 -0.00 4.02 2.20 -0.87 -4.97 119.74 121.98 2aiv s LYS 127 Ca 0.02 -0.22 -0.30 0.00 -0.36 0.00 0.00 55.97 55.11 2aiv s LYS 127 Cb -0.07 -3.48 -0.06 0.00 -1.51 0.00 0.00 37.83 32.72 2aiv s LYS 127 CO 0.02 0.18 1.44 0.12 -0.36 0.00 0.00 175.35 176.75 2aiv s PHE 128 N 0.71 2.74 0.00 4.03 2.19 -1.26 -0.40 117.98 125.99 2aiv s PHE 128 Ca 0.08 0.72 0.00 0.00 0.33 0.00 0.00 56.93 58.06 2aiv s PHE 128 Cb -0.12 -3.71 0.00 0.00 -1.31 0.00 0.00 43.02 37.87 2aiv s PHE 128 CO 0.01 -2.69 0.00 -1.91 1.83 0.00 0.00 175.22 172.46 2aiv n GLU 129 N 5.56 0.00 -3.53 10.12 4.07 -1.08 -4.82 120.64 130.95 2aiv n GLU 129 Ca 0.14 0.05 -0.18 0.00 -0.06 0.00 0.00 57.16 57.11 2aiv n GLU 129 Cb 0.43 -0.33 -0.06 0.00 -0.06 0.00 0.00 31.44 31.42 2aiv n GLU 129 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2aiv s SER 130 N -1.57 -0.65 -0.08 4.31 1.04 -1.02 -5.04 113.70 110.70 2aiv s SER 130 Ca 0.00 0.71 0.05 0.00 0.48 0.00 0.00 55.95 57.19 2aiv s SER 130 Cb 0.00 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 2aiv s SER 130 CO 0.00 -0.60 -0.24 -0.47 0.98 0.00 0.00 173.24 172.91 2aiv s TYR 131 N -1.17 2.47 -0.29 5.02 6.14 -1.26 -3.10 117.35 125.16 2aiv s TYR 131 Ca -0.11 -0.88 -0.05 0.00 0.64 0.00 0.00 57.07 56.67 2aiv s TYR 131 Cb -0.00 -1.64 0.01 0.00 0.42 0.00 0.00 41.96 40.75 2aiv s TYR 131 CO 0.10 -0.32 0.05 -0.51 0.64 0.00 0.00 175.55 175.51 2aiv s ASP 132 N 0.09 4.94 0.15 4.32 -0.00 -1.10 -4.98 116.67 120.09 2aiv s ASP 132 Ca -0.11 -0.77 -0.10 0.00 -0.00 0.00 0.00 52.55 51.57 2aiv s ASP 132 Cb -0.16 -1.83 -0.03 0.00 -0.00 0.00 0.00 42.92 40.90 2aiv s ASP 132 CO 0.06 -0.18 1.48 0.00 -0.00 0.00 0.00 175.17 176.53 2aiv h ALA 133 N 8.18 0.59 -0.94 5.23 0.00 -1.93 0.86 119.26 131.25 2aiv h ALA 133 Ca -0.31 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2aiv h ALA 133 Cb 1.12 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 2aiv h ALA 133 CO 0.59 0.68 0.59 0.38 0.00 0.00 0.00 179.25 181.50 2aiv h ASP 134 N 0.77 1.10 0.00 0.00 -0.00 -1.98 -3.05 116.42 113.25 2aiv h ASP 134 Ca 0.06 -0.05 0.00 0.00 -0.00 0.00 0.00 57.03 57.05 2aiv h ASP 134 Cb 0.97 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 40.03 2aiv h ASP 134 CO 0.09 0.82 -1.84 -1.20 -0.00 0.00 0.00 179.24 177.11 2aiv n SER 135 N -4.40 0.19 0.00 4.15 7.64 -1.21 -4.97 113.62 115.02 2aiv n SER 135 Ca 0.11 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2aiv n SER 135 Cb 0.03 1.84 0.00 0.00 -1.01 0.00 0.00 64.21 65.08 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 1.31 0.63 3.72 0.23 0.00 0.30 -4.97 105.19 106.40 2aiv n GLY 136 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.83 4.39 -0.13 2.61 2.01 -1.20 -4.55 115.64 115.94 2aiv s THR 137 Ca 0.00 1.76 0.01 0.00 0.31 0.00 0.00 61.69 63.78 2aiv s THR 137 Cb 0.00 -4.13 -0.00 0.00 0.01 0.00 0.00 72.50 68.38 2aiv s THR 137 CO 0.00 0.16 -0.18 -0.47 -0.69 0.00 0.00 174.62 173.44 2aiv s TYR 138 N 0.85 2.71 -0.03 4.92 5.04 -1.24 -2.70 117.35 126.90 2aiv s TYR 138 Ca 0.54 -0.94 0.03 0.00 -2.44 0.00 0.00 57.07 54.26 2aiv s TYR 138 Cb -0.26 -1.81 0.00 0.00 0.35 0.00 0.00 41.96 40.24 2aiv s TYR 138 CO 0.29 -0.39 -0.12 0.14 -1.34 0.00 0.00 175.55 174.14 2aiv s VAL 139 N 0.52 1.01 0.09 3.14 -7.23 -1.18 -3.76 120.40 112.99 2aiv s VAL 139 Ca -0.11 -0.49 0.02 0.00 -1.81 0.00 0.00 61.98 59.59 2aiv s VAL 139 Cb -0.16 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 2aiv s VAL 139 CO 0.04 0.31 -0.07 0.72 -0.31 0.00 0.00 175.10 175.79 2aiv s PHE 140 N 0.14 0.84 -0.18 2.82 -0.12 -1.24 -2.43 117.98 117.81 2aiv s PHE 140 Ca -0.03 -0.85 0.01 0.00 -0.05 0.00 0.00 56.93 56.00 2aiv s PHE 140 Cb -0.10 -0.49 0.02 0.00 -0.63 0.00 0.00 43.02 41.82 2aiv s PHE 140 CO 0.01 -0.15 -0.20 0.42 -0.05 0.00 0.00 175.22 175.26 2aiv s ILE 141 N -3.27 2.10 -1.03 -4.49 -1.09 0.47 -3.39 121.20 110.49 2aiv s ILE 141 Ca 0.08 -0.93 -0.04 0.00 -2.23 0.00 0.00 60.65 57.53 2aiv s ILE 141 Cb 0.03 -1.88 0.29 0.00 -1.58 0.00 0.00 42.46 39.32 2aiv s ILE 141 CO -0.04 0.54 1.23 0.52 -1.23 0.00 0.00 174.94 175.96 2aiv n VAL 142 N 4.58 4.59 -2.86 2.92 0.31 -1.24 -2.06 118.33 124.57 2aiv n VAL 142 Ca -0.21 -5.62 -0.43 0.00 -0.01 0.00 0.00 64.34 58.07 2aiv n VAL 142 Cb 0.50 -2.26 -0.03 0.00 -0.91 0.00 0.00 33.84 31.13 2aiv n VAL 142 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2aiv s ASN 143 N -0.76 6.34 0.13 4.52 2.47 -1.26 -4.50 114.94 121.89 2aiv s ASN 143 Ca 0.31 -1.36 -0.12 0.00 0.42 0.00 0.00 52.86 52.11 2aiv s ASN 143 Cb 0.00 -2.42 -0.06 0.00 -1.45 0.00 0.00 41.25 37.32 2aiv s ASN 143 CO 0.01 -1.33 1.45 0.45 -3.72 0.00 0.00 177.10 173.97 2aiv h HIS 144 N 9.35 1.04 -0.92 0.43 3.86 -1.77 -3.13 115.15 124.00 2aiv h HIS 144 Ca -0.11 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 2aiv h HIS 144 Cb 1.05 -0.22 -0.05 0.00 1.06 0.00 0.00 27.41 29.26 2aiv h HIS 144 CO 1.05 1.12 0.58 0.00 0.86 0.00 0.00 177.93 181.55 2aiv h ALA 145 N 0.75 1.17 -1.03 2.45 0.00 -1.86 -3.46 119.26 117.28 2aiv h ALA 145 Ca 0.05 -0.09 -0.42 0.00 0.00 0.00 0.00 54.91 54.46 2aiv h ALA 145 Cb 0.95 -0.37 -0.16 0.00 0.00 0.00 0.00 17.79 18.21 2aiv h ALA 145 CO 0.09 0.61 -0.39 0.00 0.00 0.00 0.00 179.25 179.56 2aiv n ALA 146 N -2.37 -0.32 -2.32 0.00 0.00 -1.19 -4.96 120.51 109.35 2aiv n ALA 146 Ca 0.10 0.33 -0.31 0.00 0.00 0.00 0.00 53.44 53.56 2aiv n ALA 146 Cb 0.04 -2.04 -0.16 0.00 0.00 0.00 0.00 19.45 17.29 2aiv n ALA 146 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2aiv s GLU 147 N -3.77 2.09 0.00 0.00 2.02 -1.26 -5.00 118.70 112.77 2aiv s GLU 147 Ca 0.00 -0.94 0.31 0.00 0.02 0.00 0.00 54.97 54.36 2aiv s GLU 147 Cb 0.00 -2.04 1.81 0.00 0.10 0.00 0.00 34.13 34.00 2aiv s GLU 147 CO 0.00 0.56 2.17 0.00 0.02 0.00 0.00 175.26 178.01 2aiv n GLN 148 N 2.37 1.07 0.00 1.61 10.64 -1.26 -4.83 117.38 126.97 2aiv n GLN 148 Ca -0.16 -0.10 0.06 0.00 -1.83 0.00 0.00 57.00 54.97 2aiv n GLN 148 Cb 0.51 -1.49 0.05 0.00 -0.86 0.00 0.00 30.24 28.45 2aiv n GLN 148 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48