#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 -2.44 1.61 -0.04 -1.26 -5.11 135.00 128.51 2aiv n PRO 2 Ca 0.00 -3.72 -0.42 0.00 -0.04 0.00 0.00 63.50 59.32 2aiv n PRO 2 Cb 0.00 0.93 -0.03 0.00 -0.04 0.00 0.00 33.50 34.36 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 7.09 0.20 3.54 0.01 -1.26 -4.94 114.94 115.71 2aiv s ASN 3 Ca 0.03 1.99 -0.08 0.00 -0.71 0.00 0.00 52.86 54.09 2aiv s ASN 3 Cb -0.00 -2.58 0.13 0.00 0.41 0.00 0.00 41.25 39.21 2aiv s ASN 3 CO 0.02 -0.46 1.74 -0.33 -1.51 0.00 0.00 177.10 176.56 2aiv h GLU 4 N 6.80 1.14 0.00 -0.60 5.08 -2.03 -3.43 114.58 121.54 2aiv h GLU 4 Ca -0.42 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 57.70 2aiv h GLU 4 Cb 1.21 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2aiv h GLU 4 CO 0.81 0.97 0.00 0.27 -1.00 0.00 0.00 179.01 180.05 2aiv n ASN 5 N -4.28 0.00 -4.24 1.42 6.94 -1.26 -5.07 115.26 108.78 2aiv n ASN 5 Ca 0.06 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.45 2aiv n ASN 5 Cb 0.22 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.53 2aiv n ASN 5 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 2aiv s TYR 6 N -1.00 1.36 0.11 -2.53 1.13 -1.26 0.98 117.35 116.13 2aiv s TYR 6 Ca 0.00 -0.59 0.06 0.00 -1.41 0.00 0.00 57.07 55.12 2aiv s TYR 6 Cb 0.00 -0.70 -0.04 0.00 -1.10 0.00 0.00 41.96 40.12 2aiv s TYR 6 CO 0.00 0.13 -0.14 1.52 -2.51 0.00 0.00 175.55 174.55 2aiv s TYR 7 N -2.38 1.33 0.16 -3.49 1.13 -0.74 -4.77 117.35 108.59 2aiv s TYR 7 Ca 0.10 -0.54 0.05 0.00 -1.41 0.00 0.00 57.07 55.28 2aiv s TYR 7 Cb -0.03 -0.71 -0.04 0.00 -1.10 0.00 0.00 41.96 40.07 2aiv s TYR 7 CO 0.03 0.11 -0.11 0.42 -2.51 0.00 0.00 175.55 173.48 2aiv s ILE 8 N -1.92 1.33 -0.68 -3.49 -1.09 -1.25 -3.01 121.20 111.08 2aiv s ILE 8 Ca 0.06 -2.10 0.05 0.00 -2.23 0.00 0.00 60.65 56.43 2aiv s ILE 8 Cb -0.06 -1.90 0.23 0.00 -1.58 0.00 0.00 42.46 39.15 2aiv s ILE 8 CO 0.03 -0.70 0.71 -1.54 -1.23 0.00 0.00 174.94 172.20 2aiv n SER 9 N -0.24 3.69 -4.64 3.58 3.41 -0.47 -3.33 113.62 115.62 2aiv n SER 9 Ca -0.10 -3.38 -0.28 0.00 -0.26 0.00 0.00 58.87 54.85 2aiv n SER 9 Cb 0.60 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 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 1.19 0.76 -0.71 4.33 -0.04 -1.26 -4.22 135.00 135.05 2aiv n PRO 10 Ca 0.27 -3.42 -0.33 0.00 -0.04 0.00 0.00 63.50 59.98 2aiv n PRO 10 Cb 0.39 0.65 0.15 0.00 -0.04 0.00 0.00 33.50 34.65 2aiv n PRO 10 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2aiv n SER 11 N -1.57 -2.46 -0.32 3.54 3.41 -1.21 -4.38 113.62 110.62 2aiv n SER 11 Ca -0.11 -0.11 -0.04 0.00 -0.26 0.00 0.00 58.87 58.35 2aiv n SER 11 Cb 0.61 -0.89 0.08 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.93 1.05 -0.09 1.04 4.07 -1.97 0.12 115.31 117.59 2aiv h LEU 12 Ca -0.52 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 57.35 2aiv h LEU 12 Cb 1.37 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 42.84 2aiv h LEU 12 CO 0.36 0.81 -0.03 0.44 -1.08 0.00 0.00 178.44 178.94 2aiv h ASP 13 N 1.20 0.19 -0.87 -0.43 3.45 -2.00 -2.09 116.42 115.86 2aiv h ASP 13 Ca 0.31 -0.38 0.01 0.00 0.43 0.00 0.00 57.03 57.40 2aiv h ASP 13 Cb -0.04 -0.05 -0.04 0.00 -0.56 0.00 0.00 39.33 38.63 2aiv h ASP 13 CO -0.06 0.53 0.58 0.74 -1.57 0.00 0.00 179.24 179.45 2aiv h THR 14 N -0.15 1.21 -0.61 0.35 2.02 -1.83 -2.29 112.91 111.60 2aiv h THR 14 Ca 0.02 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 2aiv h THR 14 Cb 0.45 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 2aiv h THR 14 CO 0.01 0.21 0.37 0.25 0.37 0.00 0.00 175.52 176.73 2aiv h LEU 15 N 1.17 0.73 -1.03 2.58 5.85 -0.71 -2.58 115.31 121.33 2aiv h LEU 15 Ca 0.33 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 2aiv h LEU 15 Cb -0.11 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 2aiv h LEU 15 CO -0.08 0.58 0.52 0.28 -0.34 0.00 0.00 178.44 179.40 2aiv h SER 16 N 0.83 1.05 0.04 1.25 0.02 -0.96 -1.07 113.55 114.72 2aiv h SER 16 Ca 0.22 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2aiv h SER 16 Cb -0.02 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.25 2aiv h SER 16 CO -0.04 0.81 0.00 -1.20 -1.14 0.00 0.00 176.83 175.26 2aiv n SER 17 N -4.36 0.00 -4.68 3.07 7.64 -0.90 -4.74 113.62 109.66 2aiv n SER 17 Ca 0.09 0.20 -0.31 0.00 1.01 0.00 0.00 58.87 59.87 2aiv n SER 17 Cb 0.07 -0.25 0.16 0.00 -1.01 0.00 0.00 64.21 63.19 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 -2.49 1.65 0.97 1.43 1.51 -0.41 -5.01 117.35 115.00 2aiv s TYR 18 Ca 0.03 1.79 -0.15 0.00 -1.01 0.00 0.00 57.07 57.73 2aiv s TYR 18 Cb 0.02 -3.34 0.18 0.00 -0.11 0.00 0.00 41.96 38.71 2aiv s TYR 18 CO 0.04 -2.79 1.20 -1.54 -1.11 0.00 0.00 175.55 171.35 2aiv s SER 19 N -2.68 2.98 0.15 2.29 1.04 -1.26 -4.67 113.70 111.54 2aiv s SER 19 Ca 0.67 0.65 -0.17 0.00 0.48 0.00 0.00 55.95 57.57 2aiv s SER 19 Cb -0.23 -0.97 0.00 0.00 0.10 0.00 0.00 66.02 64.92 2aiv s SER 19 CO 0.58 -2.85 1.80 -0.07 0.98 0.00 0.00 173.24 173.68 2aiv h LEU 20 N -1.71 0.37 -0.35 2.42 3.38 -1.96 0.17 115.31 117.62 2aiv h LEU 20 Ca -0.47 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.36 2aiv h LEU 20 Cb 1.29 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2aiv h LEU 20 CO 0.49 0.27 -0.32 0.25 0.09 0.00 0.00 178.44 179.21 2aiv h LEU 21 N 0.45 0.89 -0.72 1.67 6.46 -1.98 -2.99 115.31 119.08 2aiv h LEU 21 Ca 0.13 -0.46 -0.04 0.00 -0.12 0.00 0.00 57.88 57.39 2aiv h LEU 21 Cb -0.03 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.62 2aiv h LEU 21 CO -0.04 1.17 0.29 -0.61 -0.62 0.00 0.00 178.44 178.63 2aiv h GLN 22 N 0.63 1.08 -0.81 1.25 4.15 -1.77 -0.65 115.11 118.99 2aiv h GLN 22 Ca 0.06 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.25 2aiv h GLN 22 Cb 0.91 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.38 2aiv h GLN 22 CO 0.08 0.88 0.37 -0.07 -1.93 0.00 0.00 178.83 178.17 2aiv h LEU 23 N 1.04 1.08 -0.00 -2.39 3.38 -0.69 -1.78 115.31 115.94 2aiv h LEU 23 Ca 0.24 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2aiv h LEU 23 Cb 0.20 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2aiv h LEU 23 CO -0.02 0.92 0.00 0.54 0.09 0.00 0.00 178.44 179.97 2aiv n ARG 24 N -4.30 0.02 -3.69 1.13 1.74 -1.03 -0.89 116.66 109.64 2aiv n ARG 24 Ca 0.08 0.02 -0.28 0.00 -0.77 0.00 0.00 57.85 56.89 2aiv n ARG 24 Cb 0.15 -1.52 -0.12 0.00 -1.02 0.00 0.00 32.46 29.95 2aiv n ARG 24 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2aiv s LYS 25 N -3.01 1.54 -0.87 5.56 2.20 -0.28 -3.68 119.74 121.20 2aiv s LYS 25 Ca 0.14 -2.43 -0.25 0.00 -0.36 0.00 0.00 55.97 53.07 2aiv s LYS 25 Cb 0.18 -2.43 -0.03 0.00 -1.51 0.00 0.00 37.83 34.04 2aiv s LYS 25 CO 0.53 -1.25 1.87 0.08 -0.36 0.00 0.00 175.35 176.22 2aiv s VAL 26 N -0.26 3.49 0.00 4.02 1.01 -1.19 -4.73 120.40 122.75 2aiv s VAL 26 Ca 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2aiv s VAL 26 Cb -0.11 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2aiv s VAL 26 CO -0.10 -1.07 0.35 -2.65 0.00 0.00 0.00 175.10 171.64 2aiv n PRO 27 N 8.91 0.00 -3.50 2.72 -0.02 -1.26 -3.55 135.00 138.29 2aiv n PRO 27 Ca 0.36 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.46 2aiv n PRO 27 Cb 0.48 -0.85 -0.10 0.00 -0.02 0.00 0.00 33.50 33.01 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 -0.71 3.23 -0.24 6.00 3.76 -1.26 -4.63 115.29 121.44 2aiv s HIS 28 Ca 0.00 0.25 -0.06 0.00 -0.15 0.00 0.00 55.06 55.10 2aiv s HIS 28 Cb 0.00 -2.46 -0.02 0.00 1.11 0.00 0.00 32.58 31.21 2aiv s HIS 28 CO 0.00 -0.18 0.03 -0.51 -0.85 0.00 0.00 174.74 173.23 2aiv s LEU 29 N 1.87 3.29 -0.22 0.89 1.43 -0.93 -4.59 118.68 120.43 2aiv s LEU 29 Ca 0.10 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 2aiv s LEU 29 Cb -0.16 -1.86 0.06 0.00 0.03 0.00 0.00 46.19 44.27 2aiv s LEU 29 CO 0.10 -0.05 -0.00 -0.69 0.23 0.00 0.00 176.35 175.95 2aiv s VAL 30 N 1.56 0.97 -0.06 -1.59 1.01 -1.26 0.22 120.40 121.25 2aiv s VAL 30 Ca 0.06 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2aiv s VAL 30 Cb -0.15 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.86 2aiv s VAL 30 CO 0.01 -0.18 -0.11 -0.69 0.00 0.00 0.00 175.10 174.13 2aiv s VAL 31 N 1.65 1.01 -0.13 2.92 1.01 -0.79 -1.37 120.40 124.70 2aiv s VAL 31 Ca -0.03 -0.41 -0.34 0.00 0.00 0.00 0.00 61.98 61.21 2aiv s VAL 31 Cb -0.18 -0.93 0.15 0.00 0.00 0.00 0.00 36.38 35.42 2aiv s VAL 31 CO -0.08 0.33 1.43 -0.83 0.00 0.00 0.00 175.10 175.95 2aiv s GLY 32 N 0.67 -0.45 -0.08 4.51 0.00 -1.17 -1.77 107.32 109.04 2aiv s GLY 32 Ca -0.13 1.12 0.05 0.00 0.00 0.00 0.00 44.72 45.76 2aiv s GLY 32 CO 0.03 0.25 -0.24 0.30 0.00 0.00 0.00 173.10 173.44 2aiv s HIS 33 N -2.03 2.49 0.23 1.90 3.76 0.29 -1.78 115.29 120.15 2aiv s HIS 33 Ca 0.14 -0.89 -0.07 0.00 -0.15 0.00 0.00 55.06 54.09 2aiv s HIS 33 Cb 0.06 -1.65 0.22 0.00 1.11 0.00 0.00 32.58 32.32 2aiv s HIS 33 CO -0.06 -0.32 1.89 0.87 -0.85 0.00 0.00 174.74 176.27 2aiv h LYS 34 N 6.39 1.21 -0.27 1.40 1.57 0.42 0.54 116.57 127.84 2aiv h LYS 34 Ca -0.25 -0.09 -0.19 0.00 -1.87 0.00 0.00 60.65 58.25 2aiv h LYS 34 Cb 1.21 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.26 2aiv h LYS 34 CO 0.47 0.83 -0.56 0.77 -0.57 0.00 0.00 179.45 180.39 2aiv h SER 35 N 1.24 0.96 -0.76 0.86 0.02 -1.96 -3.43 113.55 110.47 2aiv h SER 35 Ca 0.33 -0.54 0.09 0.00 -0.84 0.00 0.00 61.79 60.82 2aiv h SER 35 Cb -0.09 -0.28 -0.20 0.00 0.14 0.00 0.00 62.40 61.97 2aiv h SER 35 CO -0.07 1.33 -0.26 -0.72 -1.14 0.00 0.00 176.83 175.97 2aiv s TYR 36 N -4.08 -1.42 0.00 3.45 1.13 -0.92 -5.13 117.35 110.37 2aiv s TYR 36 Ca -0.11 0.83 0.00 0.00 -1.41 0.00 0.00 57.07 56.38 2aiv s TYR 36 Cb 0.10 0.24 0.00 0.00 -1.10 0.00 0.00 41.96 41.20 2aiv s TYR 36 CO 0.89 -0.83 0.00 0.41 -2.51 0.00 0.00 175.55 173.51 2aiv n GLY 37 N 5.32 1.96 2.44 5.49 0.00 0.13 -3.90 105.19 116.62 2aiv n GLY 37 Ca 0.06 0.23 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.30 0.68 -0.01 1.61 2.20 -1.22 0.11 119.74 122.81 2aiv s LYS 38 Ca 0.00 -1.62 0.03 0.00 -0.36 0.00 0.00 55.97 54.03 2aiv s LYS 38 Cb 0.00 -1.34 -0.01 0.00 -1.51 0.00 0.00 37.83 34.97 2aiv s LYS 38 CO 0.00 -1.28 -0.11 0.42 -0.36 0.00 0.00 175.35 174.02 2aiv s ILE 39 N 0.70 0.87 -0.06 5.43 1.01 -0.73 -0.56 121.20 127.86 2aiv s ILE 39 Ca 0.24 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.43 2aiv s ILE 39 Cb -0.13 -0.73 0.02 0.00 0.01 0.00 0.00 42.46 41.63 2aiv s ILE 39 CO -0.07 0.25 -0.09 -1.61 0.00 0.00 0.00 174.94 173.42 2aiv s GLU 40 N -0.25 1.37 -0.22 2.79 2.02 -0.35 -1.88 118.70 122.18 2aiv s GLU 40 Ca 0.04 -0.30 -0.08 0.00 0.02 0.00 0.00 54.97 54.65 2aiv s GLU 40 Cb -0.04 -1.19 -0.04 0.00 0.10 0.00 0.00 34.13 32.96 2aiv s GLU 40 CO -0.00 -0.02 0.08 -0.06 0.02 0.00 0.00 175.26 175.28 2aiv s PHE 41 N 0.76 3.18 -1.88 1.61 0.40 0.13 -1.16 117.98 121.02 2aiv s PHE 41 Ca -0.13 -0.12 0.22 0.00 -0.60 0.00 0.00 56.93 56.30 2aiv s PHE 41 Cb -0.15 -2.18 0.67 0.00 0.51 0.00 0.00 43.02 41.86 2aiv s PHE 41 CO 0.02 -0.10 1.56 1.28 0.70 0.00 0.00 175.22 178.69 2aiv n LEU 42 N 4.31 4.09 -4.46 -0.37 4.77 -1.25 -2.20 117.00 121.89 2aiv n LEU 42 Ca -0.16 -2.06 -0.25 0.00 -0.03 0.00 0.00 56.01 53.52 2aiv n LEU 42 Cb 0.52 -0.51 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 2aiv n LEU 42 CO 0.33 0.97 -0.49 -1.61 -1.33 0.00 0.00 177.39 175.26 2aiv s GLU 43 N -1.11 1.64 0.53 3.23 0.41 -1.26 -5.00 118.70 117.15 2aiv s GLU 43 Ca 0.50 -1.71 0.03 0.00 -0.41 0.00 0.00 54.97 53.38 2aiv s GLU 43 Cb 0.27 -1.79 0.02 0.00 -1.78 0.00 0.00 34.13 30.84 2aiv s GLU 43 CO 0.33 0.35 0.19 -1.25 -0.49 0.00 0.00 175.26 174.38 2aiv s PRO 44 N -3.31 2.23 0.08 0.39 0.04 -1.23 -4.69 135.00 128.52 2aiv s PRO 44 Ca 0.28 -2.25 -0.04 0.00 0.04 0.00 0.00 61.00 59.03 2aiv s PRO 44 Cb -0.06 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.71 2aiv s PRO 44 CO 0.14 -0.50 0.22 1.33 0.04 0.00 0.00 177.00 178.23 2aiv n VAL 45 N -1.52 0.00 -3.65 -0.36 0.24 -1.26 -4.37 118.33 107.42 2aiv n VAL 45 Ca -0.12 -0.21 -0.40 0.00 -2.04 0.00 0.00 64.34 61.57 2aiv n VAL 45 Cb 0.66 0.23 -0.12 0.00 -1.47 0.00 0.00 33.84 33.14 2aiv n VAL 45 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2aiv s ASP 46 N -1.56 5.60 0.00 -1.34 3.84 -1.24 -3.17 116.67 118.80 2aiv s ASP 46 Ca 0.05 -1.06 0.12 0.00 -0.00 0.00 0.00 52.55 51.65 2aiv s ASP 46 Cb -0.01 -1.97 0.27 0.00 -1.38 0.00 0.00 42.92 39.82 2aiv s ASP 46 CO 0.02 -0.37 1.17 0.18 -0.00 0.00 0.00 175.17 176.17 2aiv n LEU 47 N 4.94 2.73 -0.30 2.11 4.77 -0.07 -4.59 117.00 126.58 2aiv n LEU 47 Ca -0.12 -1.74 -0.02 0.00 -0.03 0.00 0.00 56.01 54.11 2aiv n LEU 47 Cb 0.45 -0.18 0.15 0.00 -2.33 0.00 0.00 43.42 41.52 2aiv n LEU 47 CO 0.35 0.65 1.24 0.00 -1.33 0.00 0.00 177.39 178.29 2aiv h ALA 48 N 2.21 1.31 -0.98 -1.18 0.00 -1.90 -2.58 119.26 116.14 2aiv h ALA 48 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2aiv h ALA 48 Cb 0.68 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2aiv h ALA 48 CO 0.00 0.61 0.65 0.78 0.00 0.00 0.00 179.25 181.29 2aiv h GLY 49 N 1.21 1.39 -5.83 0.00 0.00 -1.94 -3.47 103.07 94.43 2aiv h GLY 49 Ca 0.32 -0.51 -0.34 0.00 0.00 0.00 0.00 47.33 46.80 2aiv h GLY 49 CO -0.06 0.49 -0.90 1.39 0.00 0.00 0.00 176.54 177.46 2aiv n ILE 50 N -4.41 -7.60 -0.65 2.60 5.41 -0.98 -4.82 119.36 108.90 2aiv n ILE 50 Ca 0.12 -1.17 -0.06 0.00 1.00 0.00 0.00 62.75 62.64 2aiv n ILE 50 Cb 0.03 -5.48 -0.09 0.00 -0.71 0.00 0.00 39.64 33.39 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 -3.69 1.31 -0.34 0.38 -0.04 -1.26 -4.47 135.00 126.89 2aiv n PRO 51 Ca -0.08 -0.52 -0.02 0.00 -0.04 0.00 0.00 63.50 62.85 2aiv n PRO 51 Cb 0.60 -1.62 0.14 0.00 -0.04 0.00 0.00 33.50 32.58 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 4.52 1.09 -1.00 1.53 4.07 -1.88 0.25 115.31 123.89 2aiv h LEU 52 Ca 0.10 -0.04 0.27 0.00 0.08 0.00 0.00 57.88 58.29 2aiv h LEU 52 Cb 1.06 -0.27 -0.13 0.00 1.08 0.00 0.00 40.66 42.39 2aiv h LEU 52 CO 0.19 0.80 0.59 0.00 -1.08 0.00 0.00 178.44 178.94 2aiv h THR 53 N 1.28 0.46 0.00 0.22 1.03 -1.91 0.82 112.91 114.82 2aiv h THR 53 Ca 0.34 -0.17 -0.21 0.00 -0.01 0.00 0.00 66.41 66.36 2aiv h THR 53 Cb -0.13 -0.08 -0.04 0.00 -1.07 0.00 0.00 68.15 66.83 2aiv h THR 53 CO -0.07 0.09 -2.21 -1.20 -0.01 0.00 0.00 175.52 172.12 2aiv n SER 54 N -4.94 0.09 -0.12 0.00 7.64 -1.00 -4.39 113.62 110.91 2aiv n SER 54 Ca 0.28 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.04 2aiv n SER 54 Cb 0.82 1.40 -0.01 0.00 -1.01 0.00 0.00 64.21 65.40 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 0.00 0.99 0.00 -3.43 3.38 0.67 -3.48 115.31 113.44 2aiv h LEU 55 Ca -0.32 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2aiv h LEU 55 Cb 1.72 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.19 2aiv h LEU 55 CO 0.02 1.24 0.00 0.61 0.09 0.00 0.00 178.44 180.40 2aiv n GLY 56 N 0.09 3.37 0.00 0.83 0.00 0.28 -4.62 105.19 105.14 2aiv n GLY 56 Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.28 0.27 -0.02 0.00 -1.23 -4.91 105.19 98.02 2aiv n GLY 57 Ca 0.00 0.42 0.17 0.00 0.00 0.00 0.00 46.02 46.61 2aiv n GLY 57 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2aiv h VAL 58 N 0.00 0.01 0.00 1.61 -1.51 -1.93 -3.46 116.25 110.97 2aiv h VAL 58 Ca 0.00 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 2aiv h VAL 58 Cb 0.00 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 2aiv h VAL 58 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 177.57 175.96 2aiv n ILE 59 N -3.10 0.00 -5.02 7.19 5.41 -1.26 -4.90 119.36 117.68 2aiv n ILE 59 Ca 0.01 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.47 2aiv n ILE 59 Cb 0.34 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 39.10 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 -0.81 1.75 -0.01 1.39 -4.36 -1.26 -4.85 121.20 113.05 2aiv s ILE 60 Ca 0.00 -0.86 0.04 0.00 -0.26 0.00 0.00 60.65 59.57 2aiv s ILE 60 Cb 0.00 -1.52 -0.01 0.00 1.25 0.00 0.00 42.46 42.18 2aiv s ILE 60 CO 0.00 0.49 -0.13 0.42 0.24 0.00 0.00 174.94 175.96 2aiv s THR 61 N 0.27 1.03 -0.19 8.37 -4.23 -1.20 -5.08 115.64 114.61 2aiv s THR 61 Ca -0.13 -0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 59.81 2aiv s THR 61 Cb -0.16 -0.86 0.05 0.00 1.34 0.00 0.00 72.50 72.87 2aiv s THR 61 CO 0.06 0.28 -0.03 0.12 -0.54 0.00 0.00 174.62 174.51 2aiv s PHE 62 N -0.32 1.71 0.37 3.99 2.19 -1.26 -2.14 117.98 122.51 2aiv s PHE 62 Ca 0.05 -1.21 -0.26 0.00 0.33 0.00 0.00 56.93 55.83 2aiv s PHE 62 Cb -0.05 -1.31 -0.09 0.00 -1.31 0.00 0.00 43.02 40.26 2aiv s PHE 62 CO -0.00 -0.66 1.16 -2.00 1.83 0.00 0.00 175.22 175.55 2aiv s GLU 63 N 1.63 4.22 -0.51 10.12 2.12 0.28 -4.87 118.70 131.68 2aiv s GLU 63 Ca -0.02 1.85 -0.04 0.00 0.36 0.00 0.00 54.97 57.11 2aiv s GLU 63 Cb -0.17 -2.81 -0.09 0.00 0.26 0.00 0.00 34.13 31.32 2aiv s GLU 63 CO -0.07 -0.18 2.11 -0.35 -0.54 0.00 0.00 175.26 176.23 2aiv n PRO 64 N 0.37 1.61 0.00 4.30 -0.04 -1.26 -1.52 135.00 138.46 2aiv n PRO 64 Ca 0.03 -1.05 0.00 0.00 -0.04 0.00 0.00 63.50 62.44 2aiv n PRO 64 Cb 0.46 -2.16 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 1.17 -0.04 0.00 0.00 175.50 176.63 2aiv n LYS 65 N 3.62 0.00 -3.76 0.54 4.81 -1.26 -5.08 118.16 117.02 2aiv n LYS 65 Ca 0.34 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.65 2aiv n LYS 65 Cb 0.28 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.24 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 0.06 -0.28 3.15 2.01 -0.58 -4.72 115.64 115.28 2aiv s THR 66 Ca 0.00 -0.47 -0.11 0.00 0.31 0.00 0.00 61.69 61.42 2aiv s THR 66 Cb 0.00 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 2aiv s THR 66 CO 0.00 -0.26 0.19 0.00 -0.69 0.00 0.00 174.62 173.86 2aiv s ILE 68 N 1.76 2.05 0.13 0.00 1.01 -0.91 -4.92 121.20 120.33 2aiv s ILE 68 Ca 0.07 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.66 2aiv s ILE 68 Cb -0.16 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 2aiv s ILE 68 CO 0.11 0.54 1.47 0.40 0.00 0.00 0.00 174.94 177.46 2aiv h ILE 69 N 5.93 1.28 0.00 2.92 2.04 -1.92 -3.08 117.51 124.67 2aiv h ILE 69 Ca -0.45 -1.51 -0.06 0.00 1.00 0.00 0.00 64.86 63.84 2aiv h ILE 69 Cb 1.14 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 2aiv h ILE 69 CO 0.63 0.50 -0.30 1.88 0.00 0.00 0.00 178.15 180.86 2aiv h TYR 70 N 0.69 0.00 -3.43 1.37 -1.99 -1.91 -3.40 116.97 108.30 2aiv h TYR 70 Ca 0.06 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.71 2aiv h TYR 70 Cb 0.93 0.00 0.05 0.00 2.00 0.00 0.00 36.73 39.71 2aiv h TYR 70 CO 0.06 0.30 -0.23 0.00 -0.00 0.00 0.00 178.16 178.29 2aiv n ALA 71 N -2.48 -0.86 -1.95 3.88 0.00 -1.17 -3.52 120.51 114.41 2aiv n ALA 71 Ca -0.02 0.02 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2aiv n ALA 71 Cb 0.35 -1.62 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.83 -5.53 -4.56 0.00 3.02 -1.26 -4.89 115.26 100.21 2aiv n ASN 72 Ca -0.04 0.26 -0.27 0.00 -0.03 0.00 0.00 54.58 54.49 2aiv n ASN 72 Cb 0.54 -4.67 -0.05 0.00 -0.61 0.00 0.00 39.78 34.99 2aiv n ASN 72 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2aiv s LEU 73 N -5.07 3.15 -0.42 3.41 1.98 -1.23 -4.86 118.68 115.64 2aiv s LEU 73 Ca 0.00 -0.20 -0.01 0.00 -2.89 0.00 0.00 54.13 51.03 2aiv s LEU 73 Cb 0.00 -2.55 0.32 0.00 0.66 0.00 0.00 46.19 44.63 2aiv s LEU 73 CO 0.00 -2.92 1.96 -0.81 -1.89 0.00 0.00 176.35 172.69 2aiv n PRO 74 N 8.92 2.07 0.00 0.98 -0.04 -1.26 -4.64 135.00 141.04 2aiv n PRO 74 Ca 0.37 -2.15 0.00 0.00 -0.04 0.00 0.00 63.50 61.68 2aiv n PRO 74 Cb 0.48 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 2aiv n PRO 74 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2aiv n ASN 75 N -0.19 0.00 0.00 3.54 0.23 -1.26 -5.17 115.26 112.41 2aiv n ASN 75 Ca 0.41 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.46 2aiv n ASN 75 Cb 0.72 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.43 2aiv n ASN 75 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2aiv n ARG 76 N -1.07 0.00 -3.44 -3.83 0.63 -1.26 -5.11 116.66 102.57 2aiv n ARG 76 Ca 0.00 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.55 2aiv n ARG 76 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 2aiv n ARG 76 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2aiv n PRO 77 N -0.03 3.13 -0.03 -0.14 -0.04 -1.26 -5.07 135.00 131.56 2aiv n PRO 77 Ca 0.00 -4.52 0.00 0.00 -0.04 0.00 0.00 63.50 58.95 2aiv n PRO 77 Cb 0.00 -2.44 -0.00 0.00 -0.04 0.00 0.00 33.50 31.02 2aiv n PRO 77 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2aiv n LYS 78 N 2.00 -0.06 -0.33 0.54 2.85 -1.26 -3.72 118.16 118.19 2aiv n LYS 78 Ca 0.24 0.04 -0.04 0.00 -1.05 0.00 0.00 58.31 57.50 2aiv n LYS 78 Cb 0.37 -0.07 0.09 0.00 -0.65 0.00 0.00 35.03 34.77 2aiv n LYS 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2aiv h ARG 79 N 0.00 1.25 0.00 -1.58 3.08 -2.04 -3.49 114.38 111.61 2aiv h ARG 79 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2aiv h ARG 79 Cb 0.03 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.83 2aiv h ARG 79 CO 0.00 0.92 0.00 0.41 -1.07 0.00 0.00 179.97 180.23 2aiv n GLY 80 N -1.12 -1.67 3.50 0.04 0.00 -1.24 -4.99 105.19 99.71 2aiv n GLY 80 Ca 0.09 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.98 2.04 -1.03 1.61 2.02 -1.26 -5.03 118.70 115.07 2aiv s GLU 81 Ca 0.00 -1.03 -0.24 0.00 0.02 0.00 0.00 54.97 53.72 2aiv s GLU 81 Cb 0.00 -2.22 -0.16 0.00 0.10 0.00 0.00 34.13 31.85 2aiv s GLU 81 CO 0.00 0.52 1.96 0.41 0.02 0.00 0.00 175.26 178.17 2aiv n GLY 82 N 1.16 0.73 3.67 -1.39 0.00 -1.26 -4.89 105.19 103.21 2aiv n GLY 82 Ca -0.15 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 2aiv n GLY 82 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2aiv s ILE 83 N 11.93 5.23 0.11 -0.61 -4.36 -1.26 -4.75 121.20 127.49 2aiv s ILE 83 Ca 0.71 0.13 -0.22 0.00 -0.26 0.00 0.00 60.65 61.01 2aiv s ILE 83 Cb 0.01 -3.41 -0.07 0.00 1.25 0.00 0.00 42.46 40.24 2aiv s ILE 83 CO 0.16 0.40 0.66 0.20 0.24 0.00 0.00 174.94 176.60 2aiv s ASN 84 N 0.73 7.21 -0.45 4.36 0.01 -1.26 -4.98 114.94 120.56 2aiv s ASN 84 Ca 0.07 1.43 0.04 0.00 -0.71 0.00 0.00 52.86 53.69 2aiv s ASN 84 Cb -0.13 -2.42 0.56 0.00 0.41 0.00 0.00 41.25 39.67 2aiv s ASN 84 CO 0.02 0.24 1.78 0.55 -1.51 0.00 0.00 177.10 178.17 2aiv n VAL 85 N 1.69 3.10 -1.37 1.60 3.14 -1.26 -4.82 118.33 120.40 2aiv n VAL 85 Ca -0.08 -2.58 -0.38 0.00 -2.96 0.00 0.00 64.34 58.33 2aiv n VAL 85 Cb 0.50 -0.66 -0.02 0.00 -1.06 0.00 0.00 33.84 32.60 2aiv n VAL 85 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2aiv n ARG 86 N -1.05 3.09 -4.30 1.45 1.74 -1.25 -3.75 116.66 112.58 2aiv n ARG 86 Ca 0.53 -2.22 -0.16 0.00 -0.77 0.00 0.00 57.85 55.23 2aiv n ARG 86 Cb 1.20 -2.93 -0.10 0.00 -1.02 0.00 0.00 32.46 29.61 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 2.85 1.63 -0.28 7.54 0.00 -1.26 -3.94 121.76 128.30 2aiv s ALA 87 Ca 0.58 -1.76 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 2aiv s ALA 87 Cb 0.16 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 24.01 2aiv s ALA 87 CO -0.05 -0.38 0.19 1.03 0.00 0.00 0.00 175.76 176.55 2aiv s ARG 88 N -3.96 3.96 -0.15 0.00 0.52 -0.31 -3.50 118.95 115.50 2aiv s ARG 88 Ca 0.32 -0.31 -0.03 0.00 -0.52 0.00 0.00 55.73 55.18 2aiv s ARG 88 Cb 0.07 -3.65 -0.03 0.00 0.52 0.00 0.00 34.95 31.86 2aiv s ARG 88 CO 0.10 -0.16 -0.05 0.42 0.02 0.00 0.00 175.30 175.62 2aiv s ILE 89 N 1.71 3.75 -0.20 1.52 1.01 -0.48 -1.21 121.20 127.31 2aiv s ILE 89 Ca 0.07 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 2aiv s ILE 89 Cb -0.16 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.68 2aiv s ILE 89 CO 0.11 0.50 -0.10 -0.89 0.00 0.00 0.00 174.94 174.55 2aiv s THR 90 N 0.37 2.90 -0.02 2.92 2.01 0.27 -2.65 115.64 121.44 2aiv s THR 90 Ca -0.05 -0.66 0.07 0.00 0.31 0.00 0.00 61.69 61.36 2aiv s THR 90 Cb -0.14 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 2aiv s THR 90 CO 0.03 0.47 -0.24 0.00 -0.69 0.00 0.00 174.62 174.20 2aiv s PHE 92 N -0.56 2.89 -1.22 0.00 -0.71 -1.26 -4.35 117.98 112.77 2aiv s PHE 92 Ca 0.09 -0.30 -0.02 0.00 -1.04 0.00 0.00 56.93 55.65 2aiv s PHE 92 Cb -0.09 -2.33 0.00 0.00 -1.21 0.00 0.00 43.02 39.39 2aiv s PHE 92 CO -0.01 -0.38 1.03 0.09 -1.34 0.00 0.00 175.22 174.62 2aiv n ASN 93 N -1.86 -3.25 -0.37 1.98 5.03 -1.26 -4.81 115.26 110.72 2aiv n ASN 93 Ca 0.06 -0.59 -0.02 0.00 0.87 0.00 0.00 54.58 54.91 2aiv n ASN 93 Cb 0.59 -5.01 0.12 0.00 -1.02 0.00 0.00 39.78 34.46 2aiv n ASN 93 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2aiv s TYR 95 N -6.09 1.69 0.00 0.00 6.14 -1.26 -4.92 117.35 112.91 2aiv s TYR 95 Ca -0.13 0.83 0.00 0.00 0.64 0.00 0.00 57.07 58.41 2aiv s TYR 95 Cb 0.18 -3.98 0.00 0.00 0.42 0.00 0.00 41.96 38.58 2aiv s TYR 95 CO 0.82 -1.87 0.00 -0.35 0.64 0.00 0.00 175.55 174.79 2aiv n PRO 96 N 8.92 0.00 -4.39 4.97 -0.04 -1.26 -4.73 135.00 138.48 2aiv n PRO 96 Ca 0.37 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.63 2aiv n PRO 96 Cb 0.48 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.78 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 0.50 0.78 -0.47 0.52 1.01 -1.26 -4.05 120.40 117.43 2aiv s VAL 97 Ca 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 2aiv s VAL 97 Cb 0.00 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.72 2aiv s VAL 97 CO 0.00 0.24 1.18 -1.81 0.00 0.00 0.00 175.10 174.71 2aiv s ASP 98 N 0.16 6.59 0.42 3.32 -0.00 0.29 -4.88 116.67 122.56 2aiv s ASP 98 Ca -0.03 0.50 0.22 0.00 -0.00 0.00 0.00 52.55 53.24 2aiv s ASP 98 Cb -0.08 -2.55 0.32 0.00 -0.00 0.00 0.00 42.92 40.61 2aiv s ASP 98 CO 0.00 -1.29 1.59 0.07 -0.00 0.00 0.00 175.17 175.55 2aiv h LYS 99 N 9.45 0.00 -0.89 8.23 2.10 -1.92 0.68 116.57 134.23 2aiv h LYS 99 Ca -0.24 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.45 2aiv h LYS 99 Cb 1.07 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.34 2aiv h LYS 99 CO 1.13 0.08 0.58 0.66 -2.00 0.00 0.00 179.45 179.89 2aiv h SER 100 N 0.00 0.96 0.00 7.07 4.64 -1.94 -3.12 113.55 121.17 2aiv h SER 100 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2aiv h SER 100 Cb 1.05 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2aiv h SER 100 CO 0.01 0.66 -0.09 0.35 -0.87 0.00 0.00 176.83 176.89 2aiv n THR 101 N -4.52 1.27 -1.58 2.95 -2.24 -1.25 -4.95 114.28 103.95 2aiv n THR 101 Ca 0.11 -1.49 -0.20 0.00 -2.27 0.00 0.00 64.05 60.20 2aiv n THR 101 Cb 0.08 0.10 -0.08 0.00 -2.10 0.00 0.00 70.33 68.33 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 -0.92 -1.38 -1.94 -0.78 1.74 -0.65 -4.91 116.66 107.82 2aiv n ARG 102 Ca 0.09 1.20 -0.42 0.00 -0.77 0.00 0.00 57.85 57.95 2aiv n ARG 102 Cb 0.57 -5.54 -0.03 0.00 -1.02 0.00 0.00 32.46 26.44 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 -3.70 4.21 -0.82 5.56 -0.14 0.23 -4.86 119.74 120.23 2aiv s LYS 103 Ca 0.00 2.34 -0.02 0.00 -1.36 0.00 0.00 55.97 56.93 2aiv s LYS 103 Cb 0.00 -3.34 0.20 0.00 -1.68 0.00 0.00 37.83 33.02 2aiv s LYS 103 CO 0.00 -0.65 0.69 -1.25 -0.76 0.00 0.00 175.35 173.38 2aiv s PRO 104 N 1.76 3.10 -0.26 -1.68 0.04 -1.26 0.10 135.00 136.79 2aiv s PRO 104 Ca 0.71 -3.08 -0.14 0.00 0.04 0.00 0.00 61.00 58.54 2aiv s PRO 104 Cb -0.42 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.17 2aiv s PRO 104 CO 0.32 -1.24 0.31 0.96 0.04 0.00 0.00 177.00 177.38 2aiv s ILE 105 N -1.00 5.23 -0.23 0.56 -5.25 -1.26 -4.95 121.20 114.30 2aiv s ILE 105 Ca 0.25 0.45 0.14 0.00 -0.99 0.00 0.00 60.65 60.49 2aiv s ILE 105 Cb -0.10 -3.64 0.56 0.00 2.95 0.00 0.00 42.46 42.22 2aiv s ILE 105 CO -0.10 0.21 1.49 0.29 -1.79 0.00 0.00 174.94 175.04 2aiv n LYS 106 N 5.08 2.75 -4.09 0.37 5.02 -1.26 -4.47 118.16 121.56 2aiv n LYS 106 Ca -0.10 -2.97 -0.10 0.00 -2.02 0.00 0.00 58.31 53.12 2aiv n LYS 106 Cb 0.51 -1.90 -0.09 0.00 -0.02 0.00 0.00 35.03 33.54 2aiv n LYS 106 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2aiv s ASP 107 N -1.96 0.15 -0.79 4.39 1.01 -1.26 -5.12 116.67 113.09 2aiv s ASP 107 Ca 0.45 -1.13 0.01 0.00 0.71 0.00 0.00 52.55 52.59 2aiv s ASP 107 Cb 0.37 0.39 0.19 0.00 1.01 0.00 0.00 42.92 44.88 2aiv s ASP 107 CO 0.07 -0.85 0.63 -2.16 0.21 0.00 0.00 175.17 173.07 2aiv s PRO 108 N -4.05 2.86 0.00 8.23 0.04 -1.26 -4.86 135.00 135.96 2aiv s PRO 108 Ca 0.26 -3.28 0.28 0.00 0.04 0.00 0.00 61.00 58.30 2aiv s PRO 108 Cb 0.05 -3.69 1.29 0.00 0.04 0.00 0.00 34.50 32.19 2aiv s PRO 108 CO 0.05 -1.27 1.87 -1.71 0.04 0.00 0.00 177.00 175.98 2aiv n ASN 109 N 2.21 0.96 0.00 6.66 2.85 -1.26 -4.89 115.26 121.79 2aiv n ASN 109 Ca 0.20 -1.36 0.00 0.00 -0.11 0.00 0.00 54.58 53.31 2aiv n ASN 109 Cb 0.36 -0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.37 2aiv n ASN 109 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2aiv n HIS 110 N -0.23 0.00 -0.17 1.20 8.25 -1.26 -4.88 115.22 118.13 2aiv n HIS 110 Ca 0.20 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.65 2aiv n HIS 110 Cb 0.26 -0.98 0.21 0.00 1.12 0.00 0.00 29.99 30.60 2aiv n HIS 110 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 2aiv h GLN 111 N 0.54 0.91 0.00 -0.41 3.07 -1.96 -3.24 115.11 114.02 2aiv h GLN 111 Ca 0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 58.65 58.58 2aiv h GLN 111 Cb 0.48 -0.17 -0.09 0.00 0.08 0.00 0.00 27.48 27.77 2aiv h GLN 111 CO 0.00 0.71 -0.50 -0.11 0.09 0.00 0.00 178.83 179.02 2aiv n LEU 112 N -4.34 1.40 -0.26 0.06 7.94 -1.26 -4.84 117.00 115.70 2aiv n LEU 112 Ca 0.06 -2.38 -0.06 0.00 -1.11 0.00 0.00 56.01 52.53 2aiv n LEU 112 Cb 0.13 -0.22 0.06 0.00 0.53 0.00 0.00 43.42 43.92 2aiv n LEU 112 CO 0.38 0.67 1.10 0.58 -1.11 0.00 0.00 177.39 179.01 2aiv h VAL 113 N 3.95 1.22 -0.84 1.96 2.07 -1.95 -2.36 116.25 120.30 2aiv h VAL 113 Ca -0.05 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2aiv h VAL 113 Cb 1.33 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 2aiv h VAL 113 CO 0.02 0.25 0.48 0.11 0.02 0.00 0.00 177.57 178.45 2aiv h LYS 114 N 1.00 1.16 -0.64 1.57 1.57 -1.88 -2.36 116.57 117.00 2aiv h LYS 114 Ca 0.25 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 2aiv h LYS 114 Cb 0.05 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 2aiv h LYS 114 CO -0.04 0.84 0.11 0.00 -0.57 0.00 0.00 179.45 179.79 2aiv h ARG 115 N 1.17 1.05 -0.80 3.15 2.47 -1.85 -2.06 114.38 117.51 2aiv h ARG 115 Ca 0.30 -0.28 -0.04 0.00 -1.26 0.00 0.00 59.98 58.70 2aiv h ARG 115 Cb 0.00 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 28.16 2aiv h ARG 115 CO -0.05 0.97 0.36 0.45 0.56 0.00 0.00 179.97 182.26 2aiv h HIS 116 N 0.97 1.19 0.00 3.04 3.86 -1.14 -2.49 115.15 120.57 2aiv h HIS 116 Ca 0.19 -0.07 -0.10 0.00 -1.16 0.00 0.00 60.37 59.23 2aiv h HIS 116 Cb 0.43 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 2aiv h HIS 116 CO 0.03 0.88 -0.47 0.97 0.86 0.00 0.00 177.93 180.20 2aiv h ILE 117 N 1.15 1.22 -0.97 2.45 6.09 -1.28 -3.10 117.51 123.07 2aiv h ILE 117 Ca 0.27 -1.67 0.04 0.00 -1.37 0.00 0.00 64.86 62.13 2aiv h ILE 117 Cb 0.16 1.93 -0.06 0.00 0.47 0.00 0.00 36.82 39.33 2aiv h ILE 117 CO -0.03 0.46 0.63 -0.33 -3.07 0.00 0.00 178.15 175.81 2aiv h GLU 118 N 0.00 1.18 -0.90 2.19 5.08 -0.89 -2.14 114.58 119.10 2aiv h GLU 118 Ca -0.00 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2aiv h GLU 118 Cb 0.89 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 2aiv h GLU 118 CO 0.06 0.78 0.54 0.07 -1.00 0.00 0.00 179.01 179.46 2aiv h ARG 119 N 1.21 1.22 -0.90 2.33 0.11 -1.53 -2.18 114.38 114.65 2aiv h ARG 119 Ca 0.39 -0.11 -0.02 0.00 0.10 0.00 0.00 59.98 60.34 2aiv h ARG 119 Cb 0.03 -0.26 -0.04 0.00 1.11 0.00 0.00 29.97 30.81 2aiv h ARG 119 CO -0.12 0.85 0.48 -0.07 0.10 0.00 0.00 179.97 181.21 2aiv h LEU 120 N 1.24 1.13 -1.33 0.08 3.38 -1.51 -2.22 115.31 116.07 2aiv h LEU 120 Ca 0.32 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2aiv h LEU 120 Cb -0.05 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 2aiv h LEU 120 CO -0.06 0.91 0.26 0.11 0.09 0.00 0.00 178.44 179.75 2aiv h LYS 121 N 1.26 0.71 0.00 1.13 1.57 -0.96 -1.78 116.57 118.50 2aiv h LYS 121 Ca 0.32 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2aiv h LYS 121 Cb 0.04 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2aiv h LYS 121 CO -0.05 0.55 0.00 1.63 -0.57 0.00 0.00 179.45 181.01 2aiv n LYS 122 N -4.39 0.27 -3.49 3.15 5.02 -0.84 -4.86 118.16 113.02 2aiv n LYS 122 Ca 0.04 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 2aiv n LYS 122 Cb 0.11 -1.09 0.02 0.00 -0.02 0.00 0.00 35.03 34.05 2aiv n LYS 122 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2aiv n ASN 123 N -0.59 -5.71 -3.94 4.39 6.94 -0.67 -4.93 115.26 110.74 2aiv n ASN 123 Ca 0.01 -0.31 -0.33 0.00 -0.02 0.00 0.00 54.58 53.93 2aiv n ASN 123 Cb 0.01 -2.27 -0.07 0.00 -2.36 0.00 0.00 39.78 35.08 2aiv n ASN 123 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2aiv n PRO 124 N -0.99 2.60 -1.47 -0.53 -0.04 -1.26 -4.74 135.00 128.58 2aiv n PRO 124 Ca -0.13 -4.52 -0.16 0.00 -0.04 0.00 0.00 63.50 58.65 2aiv n PRO 124 Cb 0.65 -2.37 -0.07 0.00 -0.04 0.00 0.00 33.50 31.68 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 1.90 -5.16 -3.89 3.54 5.03 -1.26 -4.94 115.26 110.47 2aiv n ASN 125 Ca 0.23 0.40 -0.11 0.00 0.87 0.00 0.00 54.58 55.97 2aiv n ASN 125 Cb 0.37 -4.08 -0.10 0.00 -1.02 0.00 0.00 39.78 34.95 2aiv n ASN 125 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2aiv s SER 126 N -2.74 0.06 -0.22 6.41 1.04 -1.26 -4.96 113.70 112.02 2aiv s SER 126 Ca 0.00 -0.23 -0.05 0.00 0.48 0.00 0.00 55.95 56.15 2aiv s SER 126 Cb 0.00 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 2aiv s SER 126 CO 0.00 -0.34 -0.02 -0.75 0.98 0.00 0.00 173.24 173.12 2aiv s LYS 127 N -1.31 3.46 -0.25 4.02 2.20 -1.23 -4.71 119.74 121.92 2aiv s LYS 127 Ca -0.14 -0.58 -0.21 0.00 -0.36 0.00 0.00 55.97 54.67 2aiv s LYS 127 Cb -0.08 -3.08 -0.02 0.00 -1.51 0.00 0.00 37.83 33.15 2aiv s LYS 127 CO 0.01 -0.17 0.66 0.12 -0.36 0.00 0.00 175.35 175.61 2aiv s PHE 128 N 1.46 3.29 0.00 4.03 5.36 -1.26 -1.69 117.98 129.17 2aiv s PHE 128 Ca 0.05 0.88 0.00 0.00 -0.96 0.00 0.00 56.93 56.90 2aiv s PHE 128 Cb -0.14 -2.87 0.00 0.00 -0.34 0.00 0.00 43.02 39.66 2aiv s PHE 128 CO -0.01 -0.33 0.00 0.39 -1.46 0.00 0.00 175.22 173.81 2aiv n GLU 129 N 5.74 0.00 -4.56 10.12 -0.58 -1.04 -4.96 120.64 125.35 2aiv n GLU 129 Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 2aiv n GLU 129 Cb 0.49 -0.17 -0.15 0.00 -0.57 0.00 0.00 31.44 31.03 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 -2.04 1.55 -0.06 1.62 0.01 -1.01 -5.02 113.70 108.75 2aiv s SER 130 Ca 0.00 -0.24 0.06 0.00 1.31 0.00 0.00 55.95 57.08 2aiv s SER 130 Cb 0.00 -0.35 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 2aiv s SER 130 CO 0.00 0.11 -0.25 -0.47 0.41 0.00 0.00 173.24 173.05 2aiv s TYR 131 N 0.01 2.41 -0.33 2.43 6.14 -1.26 0.19 117.35 126.95 2aiv s TYR 131 Ca -0.01 -0.74 -0.06 0.00 0.64 0.00 0.00 57.07 56.90 2aiv s TYR 131 Cb -0.08 -1.59 0.04 0.00 0.42 0.00 0.00 41.96 40.75 2aiv s TYR 131 CO 0.01 -0.23 0.09 -0.51 0.64 0.00 0.00 175.55 175.55 2aiv s ASP 132 N -0.12 5.26 0.16 4.32 1.01 -0.66 -4.97 116.67 121.66 2aiv s ASP 132 Ca -0.05 -1.10 -0.08 0.00 0.71 0.00 0.00 52.55 52.03 2aiv s ASP 132 Cb -0.14 -1.86 0.00 0.00 1.01 0.00 0.00 42.92 41.93 2aiv s ASP 132 CO 0.04 -0.31 1.47 0.00 0.21 0.00 0.00 175.17 176.58 2aiv h ALA 133 N 8.21 0.59 -0.88 5.23 0.00 -1.90 0.81 119.26 131.31 2aiv h ALA 133 Ca -0.24 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 2aiv h ALA 133 Cb 1.09 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2aiv h ALA 133 CO 0.60 0.68 0.48 -0.44 0.00 0.00 0.00 179.25 180.57 2aiv h ASP 134 N 0.63 1.09 0.00 0.00 3.45 -1.95 -2.84 116.42 116.81 2aiv h ASP 134 Ca 0.03 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.39 2aiv h ASP 134 Cb 1.07 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 39.56 2aiv h ASP 134 CO 0.11 0.88 -0.90 -1.54 -1.57 0.00 0.00 179.24 176.22 2aiv n SER 135 N -4.36 1.19 0.00 6.45 3.41 -1.21 -4.95 113.62 114.16 2aiv n SER 135 Ca 0.09 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 2aiv n SER 135 Cb 0.09 0.90 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 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 1.49 1.63 3.75 5.00 0.00 0.28 -4.93 105.19 112.41 2aiv n GLY 136 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.55 4.02 0.15 2.61 2.01 -1.18 -4.76 115.64 117.95 2aiv s THR 137 Ca 0.00 2.04 0.07 0.00 0.31 0.00 0.00 61.69 64.11 2aiv s THR 137 Cb 0.00 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 2aiv s THR 137 CO 0.00 0.49 -0.15 -0.72 -0.69 0.00 0.00 174.62 173.54 2aiv s TYR 138 N -1.17 1.59 -0.23 4.92 1.13 -1.26 -1.66 117.35 120.66 2aiv s TYR 138 Ca 0.41 -0.54 -0.05 0.00 -1.41 0.00 0.00 57.07 55.49 2aiv s TYR 138 Cb -0.26 -0.80 -0.02 0.00 -1.10 0.00 0.00 41.96 39.78 2aiv s TYR 138 CO 0.33 0.24 -0.00 0.08 -2.51 0.00 0.00 175.55 173.68 2aiv s VAL 139 N -2.27 3.71 0.11 -3.49 1.01 0.13 -4.11 120.40 115.49 2aiv s VAL 139 Ca 0.13 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 61.84 2aiv s VAL 139 Cb -0.04 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2aiv s VAL 139 CO 0.05 0.40 -0.25 0.72 0.00 0.00 0.00 175.10 176.01 2aiv s PHE 140 N 1.49 2.18 -0.18 5.22 -0.71 -1.08 -2.39 117.98 122.50 2aiv s PHE 140 Ca 0.06 -0.39 0.01 0.00 -1.04 0.00 0.00 56.93 55.56 2aiv s PHE 140 Cb -0.15 -1.20 0.02 0.00 -1.21 0.00 0.00 43.02 40.48 2aiv s PHE 140 CO -0.01 0.27 -0.20 0.42 -1.34 0.00 0.00 175.22 174.37 2aiv s ILE 141 N -1.04 2.09 -0.73 -4.49 1.01 -0.68 -1.39 121.20 115.98 2aiv s ILE 141 Ca 0.12 -0.93 -0.22 0.00 0.00 0.00 0.00 60.65 59.62 2aiv s ILE 141 Cb -0.10 -1.88 -0.17 0.00 0.01 0.00 0.00 42.46 40.33 2aiv s ILE 141 CO 0.05 0.54 1.91 0.52 0.00 0.00 0.00 174.94 177.96 2aiv n VAL 142 N 4.61 1.73 -0.34 2.92 0.31 -1.23 -3.56 118.33 122.77 2aiv n VAL 142 Ca -0.21 -1.50 -0.04 0.00 -0.01 0.00 0.00 64.34 62.59 2aiv n VAL 142 Cb 0.50 -2.30 0.10 0.00 -0.91 0.00 0.00 33.84 31.23 2aiv n VAL 142 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2aiv h ASN 143 N 7.98 1.13 -0.52 4.52 -1.07 -1.89 -3.29 115.58 122.43 2aiv h ASN 143 Ca 0.41 -0.09 -0.72 0.00 0.07 0.00 0.00 56.30 55.98 2aiv h ASN 143 Cb 0.66 -0.29 -0.08 0.00 -2.07 0.00 0.00 38.32 36.55 2aiv h ASN 143 CO 1.96 0.89 2.68 1.57 0.07 0.00 0.00 177.43 184.61 2aiv n HIS 144 N -4.33 3.63 -0.16 4.14 -0.00 -1.26 -4.70 115.22 112.54 2aiv n HIS 144 Ca 0.10 -2.94 -0.11 0.00 0.46 0.00 0.00 57.72 55.23 2aiv n HIS 144 Cb 0.09 -2.42 -0.00 0.00 -0.12 0.00 0.00 29.99 27.54 2aiv n HIS 144 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2aiv h ALA 145 N 6.22 0.68 -3.27 1.57 0.00 -1.90 -3.42 119.26 119.13 2aiv h ALA 145 Ca 0.50 -0.39 -0.60 0.00 0.00 0.00 0.00 54.91 54.42 2aiv h ALA 145 Cb 0.68 -0.17 -0.12 0.00 0.00 0.00 0.00 17.79 18.18 2aiv h ALA 145 CO 1.74 0.67 -0.49 0.00 0.00 0.00 0.00 179.25 181.17 2aiv s ALA 146 N -4.67 3.67 -0.18 0.00 0.00 -1.26 -4.94 121.76 114.39 2aiv s ALA 146 Ca -0.11 -0.70 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 2aiv s ALA 146 Cb 0.12 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 2aiv s ALA 146 CO 0.87 0.15 0.06 -1.21 0.00 0.00 0.00 175.76 175.64 2aiv s GLU 147 N 0.37 3.93 -0.25 0.00 2.02 -1.26 -5.07 118.70 118.43 2aiv s GLU 147 Ca 0.08 -0.34 -0.20 0.00 0.02 0.00 0.00 54.97 54.53 2aiv s GLU 147 Cb -0.11 -3.19 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 2aiv s GLU 147 CO -0.02 0.31 0.62 -0.65 0.02 0.00 0.00 175.26 175.54 2aiv s GLN 148 N 0.27 4.12 0.00 1.61 1.11 -1.26 -5.29 119.66 120.22 2aiv s GLN 148 Ca 0.04 0.54 0.29 0.00 0.01 0.00 0.00 55.36 56.23 2aiv s GLN 148 Cb -0.12 -3.64 1.73 0.00 -1.01 0.00 0.00 33.01 29.96 2aiv s GLN 148 CO 0.00 -0.39 2.07 2.41 0.01 0.00 0.00 175.29 179.39