#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 0.40 -2.21 1.61 -0.02 -1.26 -4.82 135.00 128.69 2aiv n PRO 2 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 2aiv n PRO 2 Cb 0.00 -1.26 -0.03 0.00 -0.02 0.00 0.00 33.50 32.19 2aiv n PRO 2 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2aiv s ASN 3 N 0.42 6.86 0.24 2.55 3.84 -1.26 -4.92 114.94 122.67 2aiv s ASN 3 Ca 0.00 2.25 -0.06 0.00 0.21 0.00 0.00 52.86 55.26 2aiv s ASN 3 Cb 0.00 -2.58 0.24 0.00 -0.55 0.00 0.00 41.25 38.35 2aiv s ASN 3 CO 0.00 -0.64 1.82 -0.33 -2.79 0.00 0.00 177.10 175.17 2aiv h GLU 4 N 6.97 1.15 0.00 0.43 5.08 -1.94 -3.44 114.58 122.83 2aiv h GLU 4 Ca -0.41 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 2aiv h GLU 4 Cb 1.21 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2aiv h GLU 4 CO 0.86 0.90 0.00 -1.71 -1.00 0.00 0.00 179.01 178.07 2aiv n ASN 5 N -4.30 0.00 -4.41 1.42 5.15 -1.26 -4.94 115.26 106.92 2aiv n ASN 5 Ca 0.08 -0.10 -0.30 0.00 -0.60 0.00 0.00 54.58 53.65 2aiv n ASN 5 Cb 0.16 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.27 2aiv n ASN 5 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 2aiv s TYR 6 N 1.08 2.41 0.24 1.20 1.13 -1.26 -4.60 117.35 117.54 2aiv s TYR 6 Ca 0.00 -0.34 0.09 0.00 -1.41 0.00 0.00 57.07 55.41 2aiv s TYR 6 Cb 0.00 -1.35 -0.04 0.00 -1.10 0.00 0.00 41.96 39.46 2aiv s TYR 6 CO 0.00 0.27 -0.01 1.52 -2.51 0.00 0.00 175.55 174.81 2aiv s TYR 7 N -0.97 2.72 0.35 -3.49 1.13 -1.01 -4.99 117.35 111.08 2aiv s TYR 7 Ca 0.14 -0.21 0.03 0.00 -1.41 0.00 0.00 57.07 55.63 2aiv s TYR 7 Cb -0.10 -1.24 -0.05 0.00 -1.10 0.00 0.00 41.96 39.47 2aiv s TYR 7 CO 0.05 0.59 0.09 0.42 -2.51 0.00 0.00 175.55 174.20 2aiv s ILE 8 N -2.13 0.84 -1.43 -3.49 1.01 -1.26 -3.18 121.20 111.56 2aiv s ILE 8 Ca 0.30 -2.00 -0.12 0.00 0.00 0.00 0.00 60.65 58.83 2aiv s ILE 8 Cb -0.07 -2.59 0.06 0.00 0.01 0.00 0.00 42.46 39.87 2aiv s ILE 8 CO 0.19 0.00 2.23 -1.20 0.00 0.00 0.00 174.94 176.16 2aiv n SER 9 N -0.89 4.89 -1.50 3.58 7.64 -0.87 -1.23 113.62 125.24 2aiv n SER 9 Ca -0.03 -2.89 -0.13 0.00 1.01 0.00 0.00 58.87 56.83 2aiv n SER 9 Cb 0.66 -1.59 0.13 0.00 -1.01 0.00 0.00 64.21 62.40 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 5.07 2.46 0.00 1.43 -0.04 -1.26 -4.76 135.00 137.90 2aiv n PRO 10 Ca 0.52 -3.54 0.00 0.00 -0.04 0.00 0.00 63.50 60.45 2aiv n PRO 10 Cb 0.36 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 2aiv n PRO 10 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2aiv n SER 11 N -0.97 0.00 -0.05 3.54 7.64 -0.37 -4.57 113.62 118.84 2aiv n SER 11 Ca 0.38 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.16 2aiv n SER 11 Cb 0.92 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 64.09 2aiv n SER 11 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2aiv h LEU 12 N 0.00 0.24 -0.09 -3.43 3.38 -1.95 0.24 115.31 113.69 2aiv h LEU 12 Ca 0.00 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 2aiv h LEU 12 Cb 0.00 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.70 2aiv h LEU 12 CO 0.00 0.23 -0.54 0.44 0.09 0.00 0.00 178.44 178.66 2aiv h ASP 13 N 0.23 0.63 -0.88 -0.43 3.45 -2.01 -3.14 116.42 114.27 2aiv h ASP 13 Ca 0.07 -0.66 0.04 0.00 0.43 0.00 0.00 57.03 56.92 2aiv h ASP 13 Cb 0.04 -0.19 -0.05 0.00 -0.56 0.00 0.00 39.33 38.57 2aiv h ASP 13 CO -0.01 1.19 0.58 0.74 -1.57 0.00 0.00 179.24 180.16 2aiv h THR 14 N 0.12 1.12 -0.88 0.35 2.02 -1.78 -1.71 112.91 112.15 2aiv h THR 14 Ca -0.04 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 2aiv h THR 14 Cb 1.19 -0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2aiv h THR 14 CO 0.11 0.19 0.50 0.25 0.37 0.00 0.00 175.52 176.95 2aiv h LEU 15 N 1.06 1.08 -1.24 2.58 5.85 -0.54 -2.41 115.31 121.70 2aiv h LEU 15 Ca 0.36 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 59.04 2aiv h LEU 15 Cb 0.08 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 2aiv h LEU 15 CO -0.12 0.86 0.53 -1.28 -0.34 0.00 0.00 178.44 178.09 2aiv h SER 16 N 1.22 0.84 0.03 1.25 0.87 -1.27 0.25 113.55 116.75 2aiv h SER 16 Ca 0.31 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 2aiv h SER 16 Cb -0.01 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 2aiv h SER 16 CO -0.05 0.57 0.00 -1.20 -0.53 0.00 0.00 176.83 175.62 2aiv n SER 17 N -4.46 0.00 -4.76 6.23 7.64 -0.91 -4.76 113.62 112.61 2aiv n SER 17 Ca 0.11 -0.20 -0.34 0.00 1.01 0.00 0.00 58.87 59.45 2aiv n SER 17 Cb 0.14 -0.05 0.05 0.00 -1.01 0.00 0.00 64.21 63.33 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 -2.10 2.52 1.18 1.43 1.51 0.07 -5.03 117.35 116.93 2aiv s TYR 18 Ca 0.13 1.56 -0.19 0.00 -1.01 0.00 0.00 57.07 57.55 2aiv s TYR 18 Cb 0.06 -3.25 0.28 0.00 -0.11 0.00 0.00 41.96 38.94 2aiv s TYR 18 CO 0.11 -1.85 1.12 -1.12 -1.11 0.00 0.00 175.55 172.70 2aiv s SER 19 N -2.32 1.09 0.11 2.29 0.01 -1.26 -4.56 113.70 109.06 2aiv s SER 19 Ca 0.70 0.62 -0.21 0.00 1.31 0.00 0.00 55.95 58.36 2aiv s SER 19 Cb -0.23 -0.85 -0.10 0.00 0.21 0.00 0.00 66.02 65.04 2aiv s SER 19 CO 0.39 -4.02 1.75 -0.07 0.41 0.00 0.00 173.24 171.70 2aiv h LEU 20 N -2.51 0.04 -0.28 2.44 -0.00 -1.97 0.16 115.31 113.19 2aiv h LEU 20 Ca -0.45 0.01 -0.19 0.00 -0.00 0.00 0.00 57.88 57.24 2aiv h LEU 20 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 2aiv h LEU 20 CO 0.35 0.04 -0.61 -0.07 -0.00 0.00 0.00 178.44 178.15 2aiv h LEU 21 N 0.08 0.94 -0.88 1.67 3.38 -1.97 -3.02 115.31 115.51 2aiv h LEU 21 Ca 0.04 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 2aiv h LEU 21 Cb 0.02 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 2aiv h LEU 21 CO -0.04 1.33 0.50 -0.61 0.09 0.00 0.00 178.44 179.71 2aiv h GLN 22 N 0.62 1.21 -0.50 1.13 5.75 -1.76 0.95 115.11 122.51 2aiv h GLN 22 Ca -0.00 -0.13 -0.10 0.00 -0.15 0.00 0.00 58.65 58.27 2aiv h GLN 22 Cb 1.22 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 29.51 2aiv h GLN 22 CO 0.13 0.87 -0.07 -0.07 -2.65 0.00 0.00 178.83 177.05 2aiv h LEU 23 N 1.22 0.92 -0.03 -2.39 3.38 -0.71 -2.86 115.31 114.84 2aiv h LEU 23 Ca 0.31 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2aiv h LEU 23 Cb -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2aiv h LEU 23 CO -0.05 1.04 -0.33 -2.11 0.09 0.00 0.00 178.44 177.08 2aiv n ARG 24 N -4.25 0.07 -3.38 1.13 1.85 -1.06 -4.33 116.66 106.68 2aiv n ARG 24 Ca 0.01 -0.03 -0.26 0.00 -1.00 0.00 0.00 57.85 56.56 2aiv n ARG 24 Cb 0.36 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.19 2aiv n ARG 24 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2aiv n LYS 25 N -1.44 1.72 -2.10 2.89 4.81 0.33 -2.97 118.16 121.40 2aiv n LYS 25 Ca 0.07 -4.08 -0.31 0.00 -0.87 0.00 0.00 58.31 53.11 2aiv n LYS 25 Cb 0.33 -1.87 -0.04 0.00 0.02 0.00 0.00 35.03 33.47 2aiv n LYS 25 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2aiv s VAL 26 N -1.82 3.47 0.00 3.15 1.01 -1.20 -4.61 120.40 120.41 2aiv s VAL 26 Ca 0.37 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2aiv s VAL 26 Cb 0.14 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2aiv s VAL 26 CO -0.07 -1.05 0.05 -0.81 0.00 0.00 0.00 175.10 173.23 2aiv n PRO 27 N 8.95 0.00 -3.53 2.72 -0.04 -1.26 -4.40 135.00 137.45 2aiv n PRO 27 Ca 0.34 0.04 -0.37 0.00 -0.04 0.00 0.00 63.50 63.46 2aiv n PRO 27 Cb 0.49 -0.55 -0.08 0.00 -0.04 0.00 0.00 33.50 33.31 2aiv n PRO 27 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2aiv s HIS 28 N -0.11 3.39 -0.28 0.54 -3.43 -1.26 -4.80 115.29 109.34 2aiv s HIS 28 Ca 0.00 0.49 -0.11 0.00 -0.80 0.00 0.00 55.06 54.64 2aiv s HIS 28 Cb 0.00 -2.38 -0.05 0.00 -1.43 0.00 0.00 32.58 28.72 2aiv s HIS 28 CO 0.00 0.11 0.19 -0.51 -2.00 0.00 0.00 174.74 172.53 2aiv s LEU 29 N 0.91 4.03 -0.09 5.38 1.43 -0.95 -4.78 118.68 124.61 2aiv s LEU 29 Ca 0.15 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 2aiv s LEU 29 Cb -0.14 -2.12 0.03 0.00 0.03 0.00 0.00 46.19 43.99 2aiv s LEU 29 CO 0.05 -0.06 -0.04 -0.69 0.23 0.00 0.00 176.35 175.84 2aiv s VAL 30 N 1.76 0.74 -0.05 -1.59 1.01 -1.26 -0.50 120.40 120.50 2aiv s VAL 30 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 2aiv s VAL 30 Cb -0.16 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.43 2aiv s VAL 30 CO 0.11 0.32 0.02 -0.69 0.00 0.00 0.00 175.10 174.86 2aiv s VAL 31 N 1.82 0.17 -0.03 2.92 1.01 -0.01 -2.05 120.40 124.24 2aiv s VAL 31 Ca 0.05 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 2aiv s VAL 31 Cb -0.12 -0.36 0.07 0.00 0.00 0.00 0.00 36.38 35.97 2aiv s VAL 31 CO -0.07 0.21 0.68 -0.83 0.00 0.00 0.00 175.10 175.09 2aiv s GLY 32 N 1.89 -0.58 -0.17 4.51 0.00 -1.19 -0.83 107.32 110.95 2aiv s GLY 32 Ca 0.03 1.24 0.17 0.00 0.00 0.00 0.00 44.72 46.16 2aiv s GLY 32 CO -0.04 0.88 1.29 1.57 0.00 0.00 0.00 173.10 176.80 2aiv n HIS 33 N 0.77 0.48 0.00 1.90 -0.00 -0.96 -2.40 115.22 115.00 2aiv n HIS 33 Ca -0.19 -1.04 0.00 0.00 0.46 0.00 0.00 57.72 56.96 2aiv n HIS 33 Cb 0.58 -0.25 0.00 0.00 -0.12 0.00 0.00 29.99 30.19 2aiv n HIS 33 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2aiv n LYS 34 N -1.02 0.00 -0.37 1.57 4.81 -1.26 -2.89 118.16 119.01 2aiv n LYS 34 Ca 0.20 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.61 2aiv n LYS 34 Cb 0.78 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.93 2aiv n LYS 34 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2aiv h SER 35 N 0.00 1.13 -0.08 3.14 0.87 -1.92 -2.47 113.55 114.22 2aiv h SER 35 Ca 0.00 -0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.40 2aiv h SER 35 Cb 0.00 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 2aiv h SER 35 CO 0.00 0.83 -0.36 1.88 -0.53 0.00 0.00 176.83 178.65 2aiv h TYR 36 N 1.33 0.69 0.00 2.24 -1.99 -1.92 -3.44 116.97 113.87 2aiv h TYR 36 Ca 0.36 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.90 2aiv h TYR 36 Cb -0.14 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 38.44 2aiv h TYR 36 CO -0.00 0.86 0.00 0.41 -0.00 0.00 0.00 178.16 179.43 2aiv n GLY 37 N -0.10 4.60 3.60 3.88 0.00 -0.93 -4.21 105.19 112.03 2aiv n GLY 37 Ca -0.01 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.99 3.99 -0.10 1.61 1.02 -1.24 -2.27 119.74 118.76 2aiv s LYS 38 Ca 0.00 -0.11 0.04 0.00 0.02 0.00 0.00 55.97 55.92 2aiv s LYS 38 Cb 0.00 -3.65 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 2aiv s LYS 38 CO 0.00 -0.23 -0.24 0.42 -0.92 0.00 0.00 175.35 174.39 2aiv s ILE 39 N 1.92 2.02 -0.08 2.17 1.01 -0.01 -2.86 121.20 125.38 2aiv s ILE 39 Ca 0.12 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.80 2aiv s ILE 39 Cb -0.16 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.57 2aiv s ILE 39 CO 0.10 0.55 -0.17 -1.61 0.00 0.00 0.00 174.94 173.82 2aiv s GLU 40 N 0.35 2.21 -0.14 2.79 2.02 -1.03 -0.83 118.70 124.08 2aiv s GLU 40 Ca -0.19 -0.59 -0.03 0.00 0.02 0.00 0.00 54.97 54.18 2aiv s GLU 40 Cb -0.18 -1.75 -0.03 0.00 0.10 0.00 0.00 34.13 32.28 2aiv s GLU 40 CO 0.09 0.09 -0.03 -0.06 0.02 0.00 0.00 175.26 175.36 2aiv s PHE 41 N 0.53 3.03 -2.13 1.61 0.08 0.34 -1.59 117.98 119.86 2aiv s PHE 41 Ca -0.16 -0.19 0.22 0.00 0.12 0.00 0.00 56.93 56.92 2aiv s PHE 41 Cb -0.17 -1.91 0.58 0.00 -0.57 0.00 0.00 43.02 40.95 2aiv s PHE 41 CO 0.06 0.07 1.49 1.28 -0.10 0.00 0.00 175.22 178.03 2aiv n LEU 42 N 3.20 3.68 -4.99 -0.37 4.77 -1.22 -2.23 117.00 119.84 2aiv n LEU 42 Ca -0.18 -1.78 -0.24 0.00 -0.03 0.00 0.00 56.01 53.78 2aiv n LEU 42 Cb 0.53 -0.41 0.13 0.00 -2.33 0.00 0.00 43.42 41.33 2aiv n LEU 42 CO 0.32 0.89 0.60 -1.61 -1.33 0.00 0.00 177.39 176.26 2aiv s GLU 43 N -1.18 1.41 0.53 3.23 0.41 -1.26 -4.96 118.70 116.89 2aiv s GLU 43 Ca 0.45 -1.16 0.03 0.00 -0.41 0.00 0.00 54.97 53.88 2aiv s GLU 43 Cb 0.24 -2.27 0.01 0.00 -1.78 0.00 0.00 34.13 30.33 2aiv s GLU 43 CO 0.32 -1.66 0.19 -1.25 -0.49 0.00 0.00 175.26 172.36 2aiv s PRO 44 N -5.26 2.23 -0.32 0.39 0.04 -1.26 -4.49 135.00 126.32 2aiv s PRO 44 Ca 0.69 -2.24 0.01 0.00 0.04 0.00 0.00 61.00 59.50 2aiv s PRO 44 Cb -0.04 -1.79 0.14 0.00 0.04 0.00 0.00 34.50 32.85 2aiv s PRO 44 CO 0.46 -0.49 0.31 0.08 0.04 0.00 0.00 177.00 177.40 2aiv s VAL 45 N -2.83 -0.35 -0.48 -0.36 1.01 -1.26 -4.54 120.40 111.59 2aiv s VAL 45 Ca 0.18 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 2aiv s VAL 45 Cb -0.00 -0.90 0.11 0.00 0.00 0.00 0.00 36.38 35.59 2aiv s VAL 45 CO 0.11 -0.54 0.37 -0.62 0.00 0.00 0.00 175.10 174.42 2aiv s ASP 46 N 2.00 5.83 0.00 3.32 3.68 -1.16 -3.89 116.67 126.46 2aiv s ASP 46 Ca 0.12 -1.77 0.00 0.00 2.13 0.00 0.00 52.55 53.04 2aiv s ASP 46 Cb -0.15 -2.06 0.00 0.00 -1.45 0.00 0.00 42.92 39.26 2aiv s ASP 46 CO -0.22 -0.70 0.00 0.00 0.13 0.00 0.00 175.17 174.38 2aiv n LEU 47 N 5.01 0.00 -3.69 -1.34 -0.00 -1.26 -4.50 117.00 111.21 2aiv n LEU 47 Ca -0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.65 2aiv n LEU 47 Cb 0.41 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.90 2aiv n LEU 47 CO 0.45 0.00 0.20 0.00 -0.00 0.00 0.00 177.39 178.04 2aiv n ALA 48 N -0.85 -1.32 0.00 1.47 0.00 -1.26 -4.26 120.51 114.29 2aiv n ALA 48 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2aiv n ALA 48 Cb 0.02 -5.13 0.00 0.00 0.00 0.00 0.00 19.45 14.34 2aiv n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aiv n GLY 49 N -1.90 0.12 3.05 0.00 0.00 -1.26 -5.00 105.19 100.20 2aiv n GLY 49 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 2aiv n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2aiv n ILE 50 N 0.00-10.01 -0.69 -0.61 2.08 -1.26 -4.90 119.36 103.98 2aiv n ILE 50 Ca 0.00 0.03 -0.19 0.00 0.56 0.00 0.00 62.75 63.15 2aiv n ILE 50 Cb 0.00 -6.80 0.11 0.00 -0.75 0.00 0.00 39.64 32.21 2aiv n ILE 50 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2aiv n PRO 51 N -1.46 1.95 -0.27 0.38 -0.04 -1.26 -4.47 135.00 129.83 2aiv n PRO 51 Ca 0.01 -2.18 -0.05 0.00 -0.04 0.00 0.00 63.50 61.23 2aiv n PRO 51 Cb 0.50 -1.86 0.08 0.00 -0.04 0.00 0.00 33.50 32.19 2aiv n PRO 51 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2aiv h LEU 52 N 1.26 1.07 -0.98 1.53 -0.00 -1.99 -2.95 115.31 113.24 2aiv h LEU 52 Ca 0.45 -0.17 0.26 0.00 -0.00 0.00 0.00 57.88 58.42 2aiv h LEU 52 Cb 2.04 -0.28 -0.13 0.00 -0.00 0.00 0.00 40.66 42.29 2aiv h LEU 52 CO 0.86 0.96 0.54 0.00 -0.00 0.00 0.00 178.44 180.80 2aiv h THR 53 N 1.12 0.46 -0.80 0.22 1.03 -1.85 0.36 112.91 113.45 2aiv h THR 53 Ca 0.25 -0.16 -0.01 0.00 -0.01 0.00 0.00 66.41 66.48 2aiv h THR 53 Cb 0.24 -0.06 -0.04 0.00 -1.07 0.00 0.00 68.15 67.22 2aiv h THR 53 CO -0.02 0.09 0.44 0.77 -0.01 0.00 0.00 175.52 176.79 2aiv h SER 54 N 0.47 0.99 -0.47 0.00 4.64 -1.89 -2.58 113.55 114.72 2aiv h SER 54 Ca 0.65 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.74 2aiv h SER 54 Cb 1.30 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 2aiv h SER 54 CO -0.52 0.80 -0.22 -0.07 -0.87 0.00 0.00 176.83 175.95 2aiv h LEU 55 N 1.11 1.01 0.00 5.97 3.38 -0.48 -3.47 115.31 122.83 2aiv h LEU 55 Ca 0.28 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2aiv h LEU 55 Cb 0.02 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2aiv h LEU 55 CO -0.05 1.18 0.00 0.61 0.09 0.00 0.00 178.44 180.28 2aiv n GLY 56 N -0.12 1.79 0.00 0.83 0.00 -0.10 -5.12 105.19 102.48 2aiv n GLY 56 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.85 0.26 -0.02 0.00 -1.24 -4.75 105.19 98.59 2aiv n GLY 57 Ca 0.00 0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.33 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 0.18 0.00 1.61 -1.51 -1.93 -3.44 116.25 111.16 2aiv h VAL 58 Ca 0.00 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 2aiv h VAL 58 Cb 0.00 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 2aiv h VAL 58 CO 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 177.57 176.41 2aiv n ILE 59 N -3.20 0.00 -3.60 7.19 3.06 -1.26 -4.69 119.36 116.86 2aiv n ILE 59 Ca 0.00 0.00 -0.03 0.00 -2.50 0.00 0.00 62.75 60.23 2aiv n ILE 59 Cb 0.34 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.46 2aiv n ILE 59 CO 0.00 0.00 0.00 -0.51 -2.50 0.00 0.00 176.55 173.54 2aiv s ILE 60 N -0.05 -0.27 -0.01 9.51 2.07 -1.26 -4.89 121.20 126.29 2aiv s ILE 60 Ca 0.00 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.28 2aiv s ILE 60 Cb 0.00 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.58 2aiv s ILE 60 CO 0.00 0.00 -0.14 0.42 -1.91 0.00 0.00 174.94 173.31 2aiv s THR 61 N 1.92 1.12 -0.16 4.00 -4.23 -1.21 -5.12 115.64 111.95 2aiv s THR 61 Ca -0.08 -0.63 -0.04 0.00 -1.18 0.00 0.00 61.69 59.76 2aiv s THR 61 Cb -0.06 -0.94 0.06 0.00 1.34 0.00 0.00 72.50 72.90 2aiv s THR 61 CO -0.18 0.29 0.07 0.12 -0.54 0.00 0.00 174.62 174.39 2aiv s PHE 62 N -0.37 0.39 0.26 3.99 5.36 -1.26 -2.29 117.98 124.05 2aiv s PHE 62 Ca 0.05 -0.39 -0.30 0.00 -0.96 0.00 0.00 56.93 55.34 2aiv s PHE 62 Cb -0.06 -0.75 -0.09 0.00 -0.34 0.00 0.00 43.02 41.78 2aiv s PHE 62 CO -0.00 -0.50 1.08 -1.21 -1.46 0.00 0.00 175.22 173.12 2aiv s GLU 63 N 2.07 4.66 -0.46 10.12 2.02 0.13 -4.90 118.70 132.34 2aiv s GLU 63 Ca 0.02 1.75 -0.05 0.00 0.02 0.00 0.00 54.97 56.71 2aiv s GLU 63 Cb -0.16 -3.22 -0.10 0.00 0.10 0.00 0.00 34.13 30.75 2aiv s GLU 63 CO -0.08 0.22 2.20 -0.35 0.02 0.00 0.00 175.26 177.27 2aiv n PRO 64 N 1.45 1.62 0.00 0.39 -0.04 -1.26 -1.73 135.00 135.44 2aiv n PRO 64 Ca -0.01 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.44 2aiv n PRO 64 Cb 0.45 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 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 3.46 0.00 -3.95 0.54 4.81 -1.26 -4.91 118.16 116.84 2aiv n LYS 65 Ca 0.35 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.69 2aiv n LYS 65 Cb 0.33 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.27 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 0.10 0.03 3.15 2.01 -0.70 -4.90 115.64 115.32 2aiv s THR 66 Ca 0.00 -0.84 -0.17 0.00 0.31 0.00 0.00 61.69 60.99 2aiv s THR 66 Cb 0.00 -0.30 -0.06 0.00 0.01 0.00 0.00 72.50 72.15 2aiv s THR 66 CO 0.00 -0.46 0.49 0.00 -0.69 0.00 0.00 174.62 173.96 2aiv s ILE 68 N -0.99 2.07 0.00 0.00 -1.09 -0.97 -4.85 121.20 115.38 2aiv s ILE 68 Ca 0.27 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.75 2aiv s ILE 68 Cb -0.18 -1.86 0.00 0.00 -1.58 0.00 0.00 42.46 38.84 2aiv s ILE 68 CO 0.16 0.54 0.00 2.30 -1.23 0.00 0.00 174.94 176.71 2aiv n ILE 69 N 4.59 0.00 -0.27 2.92 -5.35 -1.26 -3.34 119.36 116.65 2aiv n ILE 69 Ca -0.21 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.22 2aiv n ILE 69 Cb 0.50 -1.96 0.06 0.00 -1.74 0.00 0.00 39.64 36.50 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 -0.05 0.95 0.00 4.28 0.05 -1.93 -3.43 116.97 116.84 2aiv h TYR 70 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2aiv h TYR 70 Cb 0.00 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 37.42 2aiv h TYR 70 CO 0.00 0.62 0.00 0.00 -1.05 0.00 0.00 178.16 177.73 2aiv n ALA 71 N -2.32 0.00 -2.47 3.88 0.00 -1.26 -4.93 120.51 113.42 2aiv n ALA 71 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.30 2aiv n ALA 71 Cb 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 2aiv n ALA 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2aiv n ASN 72 N 0.00 -5.80 -4.56 0.00 5.03 -1.26 -4.88 115.26 103.79 2aiv n ASN 72 Ca 0.00 -0.03 -0.30 0.00 0.87 0.00 0.00 54.58 55.12 2aiv n ASN 72 Cb 0.00 -4.81 -0.05 0.00 -1.02 0.00 0.00 39.78 33.90 2aiv n ASN 72 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2aiv s LEU 73 N -6.08 3.20 0.00 3.41 2.96 -1.26 -4.86 118.68 116.05 2aiv s LEU 73 Ca 0.03 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 2aiv s LEU 73 Cb -0.01 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.12 2aiv s LEU 73 CO 0.04 -2.67 0.97 -2.65 -1.32 0.00 0.00 176.35 170.72 2aiv n PRO 74 N 8.94 0.51 -3.34 0.98 -0.02 -1.26 -4.57 135.00 136.25 2aiv n PRO 74 Ca 0.35 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.60 2aiv n PRO 74 Cb 0.48 -1.24 0.06 0.00 -0.02 0.00 0.00 33.50 32.78 2aiv n PRO 74 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2aiv n ASN 75 N 1.65 -6.26 -4.56 2.55 2.85 -1.26 -4.90 115.26 105.34 2aiv n ASN 75 Ca 0.00 -0.43 -0.32 0.00 -0.11 0.00 0.00 54.58 53.72 2aiv n ASN 75 Cb 0.26 -4.99 -0.04 0.00 1.24 0.00 0.00 39.78 36.25 2aiv n ASN 75 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2aiv s ARG 76 N -6.04 2.60 -1.18 1.20 3.52 -1.26 -4.91 118.95 112.87 2aiv s ARG 76 Ca 0.46 0.06 -0.06 0.00 -0.13 0.00 0.00 55.73 56.06 2aiv s ARG 76 Cb -0.20 -4.79 0.23 0.00 -1.56 0.00 0.00 34.95 28.64 2aiv s ARG 76 CO 0.57 -3.09 1.77 -0.35 -0.81 0.00 0.00 175.30 173.39 2aiv n PRO 77 N 9.00 4.26 -0.30 5.12 -0.04 -1.26 -4.79 135.00 146.98 2aiv n PRO 77 Ca 0.32 -4.05 -0.01 0.00 -0.04 0.00 0.00 63.50 59.72 2aiv n PRO 77 Cb 0.49 -2.68 0.17 0.00 -0.04 0.00 0.00 33.50 31.44 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 5.34 1.17 -1.63 0.54 1.57 -2.00 -3.42 116.57 118.15 2aiv h LYS 78 Ca 0.36 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 59.10 2aiv h LYS 78 Cb 0.56 -0.26 -0.23 0.00 0.08 0.00 0.00 32.23 32.38 2aiv h LYS 78 CO 1.45 0.78 -0.26 1.03 -0.57 0.00 0.00 179.45 181.88 2aiv s ARG 79 N -5.99 0.51 0.00 3.15 0.52 -1.26 -5.14 118.95 110.74 2aiv s ARG 79 Ca -0.12 1.10 0.00 0.00 -0.52 0.00 0.00 55.73 56.19 2aiv s ARG 79 Cb 0.18 0.50 0.00 0.00 0.52 0.00 0.00 34.95 36.15 2aiv s ARG 79 CO 0.80 -0.44 0.00 0.41 0.02 0.00 0.00 175.30 176.09 2aiv n GLY 80 N 5.42 0.13 3.66 -3.53 0.00 -1.26 -5.04 105.19 104.57 2aiv n GLY 80 Ca -0.06 -2.25 -0.32 0.00 0.00 0.00 0.00 46.02 43.40 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 0.00 2.65 0.16 1.61 2.02 -1.26 -4.97 118.70 118.91 2aiv s GLU 81 Ca 0.00 -0.71 0.06 0.00 0.02 0.00 0.00 54.97 54.34 2aiv s GLU 81 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.60 2aiv s GLU 81 CO 0.00 0.59 -0.12 0.20 0.02 0.00 0.00 175.26 175.95 2aiv s GLY 82 N -1.73 1.19 -0.16 -1.39 0.00 -1.26 -4.92 107.32 99.04 2aiv s GLY 82 Ca 0.21 -1.50 -0.08 0.00 0.00 0.00 0.00 44.72 43.34 2aiv s GLY 82 CO 0.12 -1.59 0.12 -0.26 0.00 0.00 0.00 173.10 171.48 2aiv s ILE 83 N -2.94 5.31 0.62 0.90 -4.36 -1.26 -4.84 121.20 114.63 2aiv s ILE 83 Ca 0.17 0.15 -0.11 0.00 -0.26 0.00 0.00 60.65 60.59 2aiv s ILE 83 Cb -0.00 -3.37 -0.04 0.00 1.25 0.00 0.00 42.46 40.30 2aiv s ILE 83 CO 0.03 0.52 1.03 0.20 0.24 0.00 0.00 174.94 176.97 2aiv s ASN 84 N -0.26 6.17 -0.46 4.36 0.02 -1.26 -4.92 114.94 118.59 2aiv s ASN 84 Ca 0.10 1.44 0.04 0.00 -1.02 0.00 0.00 52.86 53.42 2aiv s ASN 84 Cb -0.12 -2.47 0.58 0.00 0.02 0.00 0.00 41.25 39.26 2aiv s ASN 84 CO 0.01 -0.91 1.83 1.33 0.02 0.00 0.00 177.10 179.38 2aiv n VAL 85 N -2.75 3.15 -1.61 1.60 0.24 -1.26 -4.76 118.33 112.94 2aiv n VAL 85 Ca 0.06 -2.41 -0.41 0.00 -2.04 0.00 0.00 64.34 59.54 2aiv n VAL 85 Cb 0.54 -0.63 -0.01 0.00 -1.47 0.00 0.00 33.84 32.27 2aiv n VAL 85 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2aiv n ARG 86 N -1.08 3.17 -4.23 7.34 0.63 -1.26 -3.99 116.66 117.25 2aiv n ARG 86 Ca 0.55 -2.50 -0.13 0.00 -0.92 0.00 0.00 57.85 54.85 2aiv n ARG 86 Cb 1.30 -3.11 -0.10 0.00 0.45 0.00 0.00 32.46 31.00 2aiv n ARG 86 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2aiv s ALA 87 N 2.75 1.33 -0.18 5.13 0.00 -1.26 -3.46 121.76 126.06 2aiv s ALA 87 Ca 0.55 -1.75 -0.09 0.00 0.00 0.00 0.00 51.96 50.66 2aiv s ALA 87 Cb 0.15 1.33 -0.05 0.00 0.00 0.00 0.00 23.12 24.55 2aiv s ALA 87 CO -0.08 -0.57 0.13 1.03 0.00 0.00 0.00 175.76 176.28 2aiv s ARG 88 N -4.09 4.02 -0.15 0.00 0.52 -0.62 -4.12 118.95 114.50 2aiv s ARG 88 Ca 0.39 -0.20 -0.03 0.00 -0.52 0.00 0.00 55.73 55.37 2aiv s ARG 88 Cb 0.07 -3.37 -0.02 0.00 0.52 0.00 0.00 34.95 32.15 2aiv s ARG 88 CO 0.13 0.41 -0.05 0.42 0.02 0.00 0.00 175.30 176.23 2aiv s ILE 89 N 0.04 3.72 -0.11 1.52 1.01 -0.92 -2.46 121.20 124.00 2aiv s ILE 89 Ca 0.10 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.36 2aiv s ILE 89 Cb -0.11 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.73 2aiv s ILE 89 CO -0.01 0.50 -0.22 -0.89 0.00 0.00 0.00 174.94 174.32 2aiv s THR 90 N 0.40 2.19 -0.01 2.92 2.01 -1.13 -3.07 115.64 118.95 2aiv s THR 90 Ca -0.05 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.04 2aiv s THR 90 Cb -0.15 -1.85 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 2aiv s THR 90 CO 0.03 0.55 -0.18 0.00 -0.69 0.00 0.00 174.62 174.33 2aiv s PHE 92 N -0.43 2.88 -1.26 0.00 -0.71 -1.26 -4.06 117.98 113.14 2aiv s PHE 92 Ca 0.07 0.05 -0.03 0.00 -1.04 0.00 0.00 56.93 55.98 2aiv s PHE 92 Cb -0.07 -2.78 0.00 0.00 -1.21 0.00 0.00 43.02 38.96 2aiv s PHE 92 CO -0.01 -0.91 1.05 -1.71 -1.34 0.00 0.00 175.22 172.31 2aiv n ASN 93 N -2.39 -3.46 -0.32 1.98 2.85 -1.26 -4.77 115.26 107.89 2aiv n ASN 93 Ca 0.08 -0.60 -0.02 0.00 -0.11 0.00 0.00 54.58 53.92 2aiv n ASN 93 Cb 0.60 -5.04 0.13 0.00 1.24 0.00 0.00 39.78 36.71 2aiv n ASN 93 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2aiv s TYR 95 N -5.92 1.72 -0.17 0.00 2.02 -1.26 -4.86 117.35 108.87 2aiv s TYR 95 Ca -0.12 0.76 0.00 0.00 -0.37 0.00 0.00 57.07 57.34 2aiv s TYR 95 Cb 0.17 -4.01 0.15 0.00 -0.40 0.00 0.00 41.96 37.87 2aiv s TYR 95 CO 0.81 -1.91 1.74 -0.35 -1.57 0.00 0.00 175.55 174.28 2aiv n PRO 96 N 8.95 1.44 -1.04 -1.71 -0.04 -1.26 -4.96 135.00 136.37 2aiv n PRO 96 Ca 0.35 -0.92 0.10 0.00 -0.04 0.00 0.00 63.50 62.99 2aiv n PRO 96 Cb 0.48 -1.36 -0.04 0.00 -0.04 0.00 0.00 33.50 32.54 2aiv n PRO 96 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2aiv n VAL 97 N 0.52 -0.10 -3.42 0.52 3.14 -1.26 -4.70 118.33 113.03 2aiv n VAL 97 Ca 0.18 0.33 -0.42 0.00 -2.96 0.00 0.00 64.34 61.46 2aiv n VAL 97 Cb 0.65 -0.60 -0.10 0.00 -1.06 0.00 0.00 33.84 32.74 2aiv n VAL 97 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2aiv s ASP 98 N -5.54 6.14 0.39 6.55 3.68 -1.25 -4.94 116.67 121.70 2aiv s ASP 98 Ca 0.00 -0.62 0.17 0.00 2.13 0.00 0.00 52.55 54.23 2aiv s ASP 98 Cb 0.00 -2.18 0.78 0.00 -1.45 0.00 0.00 42.92 40.07 2aiv s ASP 98 CO 0.00 -0.43 1.80 0.07 0.13 0.00 0.00 175.17 176.74 2aiv h LYS 99 N 8.60 0.00 -0.87 4.34 2.10 -1.94 0.87 116.57 129.68 2aiv h LYS 99 Ca -0.28 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.38 2aiv h LYS 99 Cb 1.13 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.42 2aiv h LYS 99 CO 0.73 0.36 0.57 0.77 -2.00 0.00 0.00 179.45 179.87 2aiv h SER 100 N 0.00 1.01 -0.00 7.07 0.02 -2.00 -3.23 113.55 116.41 2aiv h SER 100 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2aiv h SER 100 Cb 0.76 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2aiv h SER 100 CO 0.05 0.74 -0.00 0.35 -1.14 0.00 0.00 176.83 176.82 2aiv n THR 101 N -4.47 0.00 -1.93 -2.27 -2.24 -1.19 -4.99 114.28 97.20 2aiv n THR 101 Ca 0.09 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.16 2aiv n THR 101 Cb 0.02 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.20 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 -0.15 -1.55 -2.03 -0.78 1.74 0.30 -4.89 116.66 109.30 2aiv n ARG 102 Ca 0.00 1.15 -0.31 0.00 -0.77 0.00 0.00 57.85 57.93 2aiv n ARG 102 Cb 0.01 -5.65 -0.04 0.00 -1.02 0.00 0.00 32.46 25.75 2aiv n ARG 102 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2aiv s LYS 103 N -4.29 2.56 -0.82 5.56 2.20 -1.09 -4.89 119.74 118.98 2aiv s LYS 103 Ca 0.00 0.04 -0.22 0.00 -0.36 0.00 0.00 55.97 55.43 2aiv s LYS 103 Cb 0.00 -4.83 -0.19 0.00 -1.51 0.00 0.00 37.83 31.30 2aiv s LYS 103 CO 0.00 -3.18 2.38 -0.35 -0.36 0.00 0.00 175.35 173.84 2aiv n PRO 104 N 8.97 0.43 -3.40 4.03 -0.04 -1.26 -3.75 135.00 139.98 2aiv n PRO 104 Ca 0.34 -0.39 -0.39 0.00 -0.04 0.00 0.00 63.50 63.02 2aiv n PRO 104 Cb 0.49 -2.70 -0.09 0.00 -0.04 0.00 0.00 33.50 31.16 2aiv n PRO 104 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2aiv s ILE 105 N 9.80 5.18 -0.29 0.52 -4.36 -1.26 -4.94 121.20 125.85 2aiv s ILE 105 Ca 1.09 0.56 0.21 0.00 -0.26 0.00 0.00 60.65 62.25 2aiv s ILE 105 Cb -0.45 -3.69 0.49 0.00 1.25 0.00 0.00 42.46 40.06 2aiv s ILE 105 CO 0.29 0.17 1.06 1.17 0.24 0.00 0.00 174.94 177.86 2aiv n LYS 106 N 5.27 1.49 -3.93 0.37 3.00 -1.26 -4.52 118.16 118.57 2aiv n LYS 106 Ca -0.09 -3.35 -0.09 0.00 -0.00 0.00 0.00 58.31 54.79 2aiv n LYS 106 Cb 0.51 -1.41 -0.08 0.00 0.00 0.00 0.00 35.03 34.05 2aiv n LYS 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2aiv s ASP 107 N -3.46 0.19 0.00 3.14 1.11 -1.26 -5.02 116.67 111.36 2aiv s ASP 107 Ca 0.27 -0.78 0.00 0.00 0.18 0.00 0.00 52.55 52.22 2aiv s ASP 107 Cb 0.38 0.33 0.00 0.00 1.07 0.00 0.00 42.92 44.69 2aiv s ASP 107 CO -0.01 -0.73 0.64 -0.81 1.18 0.00 0.00 175.17 175.44 2aiv n PRO 108 N -0.05 0.45 -0.33 8.23 -0.04 -1.26 -4.12 135.00 137.87 2aiv n PRO 108 Ca -0.13 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.29 2aiv n PRO 108 Cb 0.62 -1.27 0.08 0.00 -0.04 0.00 0.00 33.50 32.89 2aiv n PRO 108 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2aiv h ASN 109 N 1.77 1.11 -5.69 3.54 2.35 -1.95 -3.47 115.58 113.24 2aiv h ASN 109 Ca 0.00 -0.10 -0.42 0.00 -0.55 0.00 0.00 56.30 55.23 2aiv h ASN 109 Cb 0.45 -0.28 0.08 0.00 0.05 0.00 0.00 38.32 38.62 2aiv h ASN 109 CO 0.00 0.89 -0.68 1.41 -1.65 0.00 0.00 177.43 177.40 2aiv n HIS 110 N -4.34 -2.58 -0.33 1.19 8.25 -1.26 -4.88 115.22 111.26 2aiv n HIS 110 Ca 0.09 0.89 -0.04 0.00 -0.26 0.00 0.00 57.72 58.41 2aiv n HIS 110 Cb 0.10 -4.67 0.09 0.00 1.12 0.00 0.00 29.99 26.62 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 -2.30 1.20 0.00 -0.41 1.08 -1.92 -3.28 115.11 109.48 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 1.37 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 2aiv h GLN 111 CO 0.58 0.83 -0.15 1.47 -0.95 0.00 0.00 178.83 180.62 2aiv n LEU 112 N -4.41 0.84 -0.33 1.46 -0.00 -1.26 -4.82 117.00 108.48 2aiv n LEU 112 Ca 0.10 -1.26 -0.04 0.00 -0.00 0.00 0.00 56.01 54.80 2aiv n LEU 112 Cb 0.05 -0.08 0.10 0.00 -0.00 0.00 0.00 43.42 43.49 2aiv n LEU 112 CO 0.37 0.30 1.17 0.58 -0.00 0.00 0.00 177.39 179.82 2aiv h VAL 113 N 3.01 1.26 -0.82 1.47 2.07 -1.95 -2.54 116.25 118.75 2aiv h VAL 113 Ca 0.00 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.88 2aiv h VAL 113 Cb 1.02 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2aiv h VAL 113 CO 0.00 0.29 0.54 0.07 0.02 0.00 0.00 177.57 178.49 2aiv h LYS 114 N 1.24 1.07 -0.84 1.57 2.10 -1.88 -2.35 116.57 117.49 2aiv h LYS 114 Ca 0.31 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.88 2aiv h LYS 114 Cb 0.04 -0.24 -0.04 0.00 -0.90 0.00 0.00 32.23 31.09 2aiv h LYS 114 CO -0.05 0.71 0.45 0.00 -2.00 0.00 0.00 179.45 178.56 2aiv h ARG 115 N 1.10 1.17 -0.73 0.07 3.08 -1.82 -2.13 114.38 115.13 2aiv h ARG 115 Ca 0.30 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 2aiv h ARG 115 Cb -0.12 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.68 2aiv h ARG 115 CO -0.07 0.87 0.27 0.45 -1.07 0.00 0.00 179.97 180.42 2aiv h HIS 116 N 1.17 1.13 -0.59 3.04 3.86 -1.36 -2.64 115.15 119.75 2aiv h HIS 116 Ca 0.29 -0.09 -0.08 0.00 -1.16 0.00 0.00 60.37 59.33 2aiv h HIS 116 Cb 0.05 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.16 2aiv h HIS 116 CO 0.01 0.87 0.06 0.97 0.86 0.00 0.00 177.93 180.70 2aiv h ILE 117 N 1.05 1.25 -0.82 2.45 -0.00 -1.18 -2.75 117.51 117.51 2aiv h ILE 117 Ca 0.24 -1.02 -0.03 0.00 -0.00 0.00 0.00 64.86 64.05 2aiv h ILE 117 Cb 0.24 0.74 -0.04 0.00 -0.00 0.00 0.00 36.82 37.76 2aiv h ILE 117 CO -0.02 0.38 0.41 -0.33 -0.00 0.00 0.00 178.15 178.59 2aiv h GLU 118 N 0.91 1.17 -0.72 2.19 5.08 -1.14 -2.16 114.58 119.90 2aiv h GLU 118 Ca 0.18 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2aiv h GLU 118 Cb 0.45 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2aiv h GLU 118 CO 0.02 0.88 0.32 0.00 -1.00 0.00 0.00 179.01 179.23 2aiv h ARG 119 N 1.16 1.03 -0.96 2.33 3.08 -1.22 -2.46 114.38 117.35 2aiv h ARG 119 Ca 0.28 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 2aiv h ARG 119 Cb 0.09 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 29.90 2aiv h ARG 119 CO -0.04 0.82 0.59 -0.07 -1.07 0.00 0.00 179.97 180.20 2aiv h LEU 120 N 1.02 1.14 -0.80 3.04 3.38 -1.12 -2.22 115.31 119.76 2aiv h LEU 120 Ca 0.24 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2aiv h LEU 120 Cb 0.14 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2aiv h LEU 120 CO -0.03 0.87 0.39 0.11 0.09 0.00 0.00 178.44 179.87 2aiv h LYS 121 N 1.32 1.15 -0.80 1.13 1.57 -1.15 -2.51 116.57 117.27 2aiv h LYS 121 Ca 0.35 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 2aiv h LYS 121 Cb -0.07 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 31.99 2aiv h LYS 121 CO -0.07 0.88 0.35 0.87 -0.57 0.00 0.00 179.45 180.91 2aiv h LYS 122 N 1.13 1.18 -5.82 3.15 1.57 -1.23 -3.39 116.57 113.15 2aiv h LYS 122 Ca 0.28 -0.20 -0.47 0.00 -1.87 0.00 0.00 60.65 58.39 2aiv h LYS 122 Cb 0.10 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2aiv h LYS 122 CO -0.04 0.94 1.40 -0.80 -0.57 0.00 0.00 179.45 180.38 2aiv s ASN 123 N -6.30 4.93 -0.29 0.86 0.01 -0.88 -4.84 114.94 108.43 2aiv s ASN 123 Ca -0.12 0.56 0.01 0.00 -0.71 0.00 0.00 52.86 52.59 2aiv s ASN 123 Cb 0.16 -2.52 0.33 0.00 0.41 0.00 0.00 41.25 39.63 2aiv s ASN 123 CO 0.83 -2.61 1.67 -0.81 -1.51 0.00 0.00 177.10 174.67 2aiv n PRO 124 N 9.11 1.77 -0.01 -0.60 -0.04 -1.26 -3.79 135.00 140.17 2aiv n PRO 124 Ca 0.28 -1.71 0.06 0.00 -0.04 0.00 0.00 63.50 62.09 2aiv n PRO 124 Cb 0.53 -1.67 -0.09 0.00 -0.04 0.00 0.00 33.50 32.22 2aiv n PRO 124 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2aiv n ASN 125 N -0.22 2.21 -4.18 3.54 6.94 -1.26 -5.00 115.26 117.28 2aiv n ASN 125 Ca 0.34 -0.01 -0.19 0.00 -0.02 0.00 0.00 54.58 54.69 2aiv n ASN 125 Cb 0.97 1.54 -0.12 0.00 -2.36 0.00 0.00 39.78 39.81 2aiv n ASN 125 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2aiv s SER 126 N -3.37 1.76 -0.27 0.53 0.01 -1.25 -4.87 113.70 106.25 2aiv s SER 126 Ca -0.04 -0.62 -0.12 0.00 1.31 0.00 0.00 55.95 56.48 2aiv s SER 126 Cb 0.08 -0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.20 2aiv s SER 126 CO 0.50 -0.06 0.25 -0.75 0.41 0.00 0.00 173.24 173.59 2aiv s LYS 127 N -1.73 4.00 0.00 12.44 2.20 0.62 -4.98 119.74 132.29 2aiv s LYS 127 Ca -0.01 -0.18 -0.30 0.00 -0.36 0.00 0.00 55.97 55.12 2aiv s LYS 127 Cb -0.10 -3.64 -0.05 0.00 -1.51 0.00 0.00 37.83 32.54 2aiv s LYS 127 CO 0.02 -0.17 1.27 0.12 -0.36 0.00 0.00 175.35 176.23 2aiv s PHE 128 N 1.73 3.16 0.00 4.03 2.19 -1.26 -0.29 117.98 127.54 2aiv s PHE 128 Ca 0.10 1.11 0.00 0.00 0.33 0.00 0.00 56.93 58.47 2aiv s PHE 128 Cb -0.16 -3.50 0.00 0.00 -1.31 0.00 0.00 43.02 38.05 2aiv s PHE 128 CO 0.10 -1.68 0.00 -1.91 1.83 0.00 0.00 175.22 173.55 2aiv n GLU 129 N 4.84 0.00 -3.63 10.12 4.07 -1.08 -4.88 120.64 130.08 2aiv n GLU 129 Ca 0.11 0.01 -0.11 0.00 -0.06 0.00 0.00 57.16 57.10 2aiv n GLU 129 Cb 0.45 -0.26 -0.07 0.00 -0.06 0.00 0.00 31.44 31.50 2aiv n GLU 129 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2aiv s SER 130 N -1.06 -0.83 -0.14 4.31 0.01 -1.14 -5.05 113.70 109.80 2aiv s SER 130 Ca 0.00 1.47 -0.02 0.00 1.31 0.00 0.00 55.95 58.72 2aiv s SER 130 Cb 0.00 1.43 -0.02 0.00 0.21 0.00 0.00 66.02 67.64 2aiv s SER 130 CO 0.00 -0.25 -0.09 -0.47 0.41 0.00 0.00 173.24 172.84 2aiv s TYR 131 N 0.88 2.90 -0.28 2.43 6.14 -1.26 -3.41 117.35 124.75 2aiv s TYR 131 Ca -0.04 -0.50 -0.08 0.00 0.64 0.00 0.00 57.07 57.09 2aiv s TYR 131 Cb -0.05 -1.89 -0.02 0.00 0.42 0.00 0.00 41.96 40.42 2aiv s TYR 131 CO -0.07 -0.14 0.11 0.34 0.64 0.00 0.00 175.55 176.43 2aiv s ASP 132 N 0.35 5.33 0.15 4.32 2.15 -1.10 -4.98 116.67 122.90 2aiv s ASP 132 Ca -0.08 -0.34 -0.10 0.00 0.43 0.00 0.00 52.55 52.46 2aiv s ASP 132 Cb -0.15 -1.96 -0.02 0.00 -0.30 0.00 0.00 42.92 40.49 2aiv s ASP 132 CO 0.05 -0.10 1.49 0.00 -0.17 0.00 0.00 175.17 176.43 2aiv h ALA 133 N 8.28 0.60 -0.88 3.66 0.00 -1.94 0.84 119.26 129.82 2aiv h ALA 133 Ca -0.35 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.11 2aiv h ALA 133 Cb 1.16 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2aiv h ALA 133 CO 0.59 0.68 0.58 0.22 0.00 0.00 0.00 179.25 181.32 2aiv h ASP 134 N 0.76 1.01 0.04 0.00 1.82 -1.95 -2.85 116.42 115.26 2aiv h ASP 134 Ca 0.06 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2aiv h ASP 134 Cb 0.96 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.72 2aiv h ASP 134 CO 0.09 0.73 -1.07 -1.54 -1.61 0.00 0.00 179.24 175.85 2aiv n SER 135 N -4.47 0.86 0.00 2.28 3.41 -1.20 -4.87 113.62 109.63 2aiv n SER 135 Ca 0.10 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 2aiv n SER 135 Cb 0.01 1.05 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 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 1.47 0.01 3.75 5.00 0.00 0.29 -4.93 105.19 110.78 2aiv n GLY 136 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2aiv n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aiv s THR 137 N -1.03 4.02 -0.20 2.61 2.01 -1.15 -4.39 115.64 117.51 2aiv s THR 137 Ca 0.00 1.99 -0.01 0.00 0.31 0.00 0.00 61.69 63.98 2aiv s THR 137 Cb 0.00 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.25 2aiv s THR 137 CO 0.00 0.46 -0.12 -0.47 -0.69 0.00 0.00 174.62 173.80 2aiv s TYR 138 N -1.04 2.87 -0.10 4.92 5.04 -1.26 -2.70 117.35 125.08 2aiv s TYR 138 Ca 0.42 -1.24 0.04 0.00 -2.44 0.00 0.00 57.07 53.85 2aiv s TYR 138 Cb -0.27 -2.01 0.00 0.00 0.35 0.00 0.00 41.96 40.04 2aiv s TYR 138 CO 0.33 -0.65 -0.23 0.14 -1.34 0.00 0.00 175.55 173.80 2aiv s VAL 139 N 1.34 1.96 0.07 3.14 -7.23 -1.22 -3.63 120.40 114.83 2aiv s VAL 139 Ca 0.05 -0.96 -0.06 0.00 -1.81 0.00 0.00 61.98 59.20 2aiv s VAL 139 Cb -0.14 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.08 2aiv s VAL 139 CO -0.07 0.54 0.10 0.72 -0.31 0.00 0.00 175.10 176.08 2aiv s PHE 140 N 0.39 0.31 -0.13 2.82 -0.71 -1.17 -2.62 117.98 116.86 2aiv s PHE 140 Ca -0.18 -0.78 0.03 0.00 -1.04 0.00 0.00 56.93 54.95 2aiv s PHE 140 Cb -0.18 -0.19 0.00 0.00 -1.21 0.00 0.00 43.02 41.44 2aiv s PHE 140 CO 0.08 -0.48 -0.21 0.42 -1.34 0.00 0.00 175.22 173.69 2aiv s ILE 141 N -3.89 2.19 -0.58 -4.49 1.01 0.60 -2.17 121.20 113.87 2aiv s ILE 141 Ca 0.06 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.80 2aiv s ILE 141 Cb 0.06 -1.87 0.17 0.00 0.01 0.00 0.00 42.46 40.83 2aiv s ILE 141 CO -0.10 0.55 0.42 -0.69 0.00 0.00 0.00 174.94 175.11 2aiv s VAL 142 N 0.64 1.91 -0.47 2.92 1.01 -1.26 -0.28 120.40 124.87 2aiv s VAL 142 Ca -0.11 -3.58 -0.24 0.00 0.00 0.00 0.00 61.98 58.05 2aiv s VAL 142 Cb -0.16 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 33.97 2aiv s VAL 142 CO 0.02 -1.07 0.88 0.21 0.00 0.00 0.00 175.10 175.14 2aiv s ASN 143 N -0.79 6.45 -0.14 3.32 2.47 -1.26 -4.75 114.94 120.24 2aiv s ASN 143 Ca 0.27 -0.03 0.15 0.00 0.42 0.00 0.00 52.86 53.67 2aiv s ASN 143 Cb -0.04 -2.43 0.48 0.00 -1.45 0.00 0.00 41.25 37.82 2aiv s ASN 143 CO -0.16 -1.03 1.38 0.00 -3.72 0.00 0.00 177.10 173.57 2aiv n HIS 144 N 7.05 0.82 -0.36 0.43 1.44 -1.26 -4.64 115.22 118.69 2aiv n HIS 144 Ca 0.04 -0.81 -0.03 0.00 -2.01 0.00 0.00 57.72 54.92 2aiv n HIS 144 Cb 0.48 -0.25 0.10 0.00 0.12 0.00 0.00 29.99 30.44 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 1.78 1.22 -2.66 1.59 0.00 -1.92 -3.41 119.26 115.86 2aiv h ALA 145 Ca 0.00 -0.08 -0.56 0.00 0.00 0.00 0.00 54.91 54.27 2aiv h ALA 145 Cb 1.29 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 2aiv h ALA 145 CO 0.17 0.63 0.12 0.00 0.00 0.00 0.00 179.25 180.18 2aiv s ALA 146 N -6.07 3.31 -0.02 0.00 0.00 -1.26 -5.02 121.76 112.70 2aiv s ALA 146 Ca -0.13 0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.10 2aiv s ALA 146 Cb 0.17 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 2aiv s ALA 146 CO 0.82 -0.12 -0.26 -1.21 0.00 0.00 0.00 175.76 174.99 2aiv s GLU 147 N 0.82 2.12 0.00 0.00 2.02 -1.26 -5.00 118.70 117.39 2aiv s GLU 147 Ca 0.39 -0.93 0.31 0.00 0.02 0.00 0.00 54.97 54.77 2aiv s GLU 147 Cb -0.18 -2.04 1.82 0.00 0.10 0.00 0.00 34.13 33.83 2aiv s GLU 147 CO 0.19 0.56 2.17 1.04 0.02 0.00 0.00 175.26 179.24 2aiv n GLN 148 N 2.45 1.04 0.00 1.61 3.00 -1.26 -5.28 117.38 118.94 2aiv n GLN 148 Ca -0.16 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 2aiv n GLN 148 Cb 0.51 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.26 2aiv n GLN 148 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47