#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 0.76 -2.97 1.61 -0.04 -1.26 -5.11 135.00 127.99 2aiv n PRO 2 Ca 0.00 -3.67 -0.42 0.00 -0.04 0.00 0.00 63.50 59.37 2aiv n PRO 2 Cb 0.00 0.92 -0.05 0.00 -0.04 0.00 0.00 33.50 34.33 2aiv n PRO 2 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2aiv s ASN 3 N -3.84 6.62 -0.42 3.54 3.84 -1.26 -5.02 114.94 118.40 2aiv s ASN 3 Ca 0.03 0.58 -0.16 0.00 0.21 0.00 0.00 52.86 53.53 2aiv s ASN 3 Cb -0.00 -2.39 0.03 0.00 -0.55 0.00 0.00 41.25 38.33 2aiv s ASN 3 CO 0.02 -0.61 0.36 -1.61 -2.79 0.00 0.00 177.10 172.47 2aiv s GLU 4 N 2.92 3.01 -0.40 0.43 2.02 -1.26 -4.92 118.70 120.50 2aiv s GLU 4 Ca 0.31 -0.99 -0.14 0.00 0.02 0.00 0.00 54.97 54.17 2aiv s GLU 4 Cb -0.14 -4.00 0.02 0.00 0.10 0.00 0.00 34.13 30.11 2aiv s GLU 4 CO 0.13 -0.82 0.28 -0.80 0.02 0.00 0.00 175.26 174.07 2aiv s ASN 5 N 1.86 6.04 0.05 -0.19 0.01 -1.26 -4.98 114.94 116.46 2aiv s ASN 5 Ca 0.07 -0.93 0.03 0.00 -0.71 0.00 0.00 52.86 51.32 2aiv s ASN 5 Cb -0.19 -2.13 -0.03 0.00 0.41 0.00 0.00 41.25 39.31 2aiv s ASN 5 CO 0.11 -0.44 -0.09 -0.72 -1.51 0.00 0.00 177.10 174.44 2aiv s TYR 6 N 1.65 0.81 0.06 2.20 -0.85 -1.26 -2.55 117.35 117.41 2aiv s TYR 6 Ca 0.04 -0.49 -0.00 0.00 -0.52 0.00 0.00 57.07 56.10 2aiv s TYR 6 Cb -0.19 -0.47 -0.04 0.00 0.38 0.00 0.00 41.96 41.64 2aiv s TYR 6 CO 0.09 -0.05 -0.04 1.52 -1.52 0.00 0.00 175.55 175.56 2aiv s TYR 7 N -1.38 0.56 0.16 -3.49 1.13 -0.98 -5.03 117.35 108.33 2aiv s TYR 7 Ca -0.08 -0.94 0.05 0.00 -1.41 0.00 0.00 57.07 54.70 2aiv s TYR 7 Cb -0.10 -0.39 -0.04 0.00 -1.10 0.00 0.00 41.96 40.33 2aiv s TYR 7 CO 0.01 -0.30 -0.11 0.42 -2.51 0.00 0.00 175.55 173.06 2aiv s ILE 8 N -3.41 1.34 -0.61 -3.49 1.09 -1.26 -2.20 121.20 112.66 2aiv s ILE 8 Ca 0.04 -2.10 0.06 0.00 -1.10 0.00 0.00 60.65 57.55 2aiv s ILE 8 Cb 0.04 -1.90 0.22 0.00 -1.06 0.00 0.00 42.46 39.76 2aiv s ILE 8 CO -0.07 -0.70 0.60 -1.20 -0.10 0.00 0.00 174.94 173.46 2aiv n SER 9 N -0.24 2.62 -4.85 3.58 7.64 -0.57 -3.61 113.62 118.20 2aiv n SER 9 Ca -0.10 -3.16 -0.31 0.00 1.01 0.00 0.00 58.87 56.31 2aiv n SER 9 Cb 0.60 -0.68 -0.04 0.00 -1.01 0.00 0.00 64.21 63.08 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 -1.73 2.23 1.00 1.43 0.04 -1.26 -3.65 135.00 133.07 2aiv s PRO 10 Ca 0.34 -2.27 -0.17 0.00 0.04 0.00 0.00 61.00 58.94 2aiv s PRO 10 Cb 0.08 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 2aiv s PRO 10 CO -0.09 -0.54 -0.27 0.45 0.04 0.00 0.00 177.00 176.59 2aiv n SER 11 N -1.55 -3.38 -0.28 6.66 2.88 -1.24 -4.59 113.62 112.13 2aiv n SER 11 Ca -0.12 0.15 -0.04 0.00 -1.33 0.00 0.00 58.87 57.53 2aiv n SER 11 Cb 0.66 -0.94 0.07 0.00 -0.75 0.00 0.00 64.21 63.25 2aiv n SER 11 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2aiv h LEU 12 N -1.44 0.90 -0.73 2.46 3.38 -1.95 -1.68 115.31 116.24 2aiv h LEU 12 Ca -0.45 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 2aiv h LEU 12 Cb 1.32 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2aiv h LEU 12 CO 0.30 0.65 0.05 0.44 0.09 0.00 0.00 178.44 179.98 2aiv h ASP 13 N 1.05 0.99 -0.98 -0.43 3.32 -1.91 -2.89 116.42 115.58 2aiv h ASP 13 Ca 0.28 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.10 2aiv h ASP 13 Cb -0.12 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.12 2aiv h ASP 13 CO -0.06 1.01 0.65 0.74 -1.72 0.00 0.00 179.24 179.86 2aiv h THR 14 N 0.95 1.25 -0.59 0.35 2.02 -1.68 -2.02 112.91 113.19 2aiv h THR 14 Ca 0.18 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 2aiv h THR 14 Cb 0.48 -0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 2aiv h THR 14 CO 0.02 0.24 0.29 0.25 0.37 0.00 0.00 175.52 176.70 2aiv h LEU 15 N 1.33 0.76 -1.25 2.58 5.85 -1.14 -2.51 115.31 120.92 2aiv h LEU 15 Ca 0.36 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2aiv h LEU 15 Cb -0.15 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.65 2aiv h LEU 15 CO -0.08 0.66 0.47 -1.28 -0.34 0.00 0.00 178.44 177.87 2aiv h SER 16 N 0.80 0.85 0.00 1.25 0.87 -1.20 -1.71 113.55 114.40 2aiv h SER 16 Ca 0.20 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2aiv h SER 16 Cb 0.10 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 2aiv h SER 16 CO -0.03 0.63 0.00 -1.20 -0.53 0.00 0.00 176.83 175.70 2aiv n SER 17 N -4.41 0.00 -4.77 6.23 7.64 -0.82 -4.74 113.62 112.74 2aiv n SER 17 Ca 0.08 -0.22 -0.31 0.00 1.01 0.00 0.00 58.87 59.42 2aiv n SER 17 Cb 0.05 0.00 0.08 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 -2.00 2.61 0.94 1.43 2.02 -0.65 -5.04 117.35 116.66 2aiv s TYR 18 Ca 0.07 1.55 -0.15 0.00 -0.37 0.00 0.00 57.07 58.17 2aiv s TYR 18 Cb 0.03 -3.06 0.17 0.00 -0.40 0.00 0.00 41.96 38.70 2aiv s TYR 18 CO 0.06 -1.75 1.25 -1.54 -1.57 0.00 0.00 175.55 172.00 2aiv s SER 19 N -3.27 3.35 0.19 2.29 1.04 -1.26 -4.65 113.70 111.38 2aiv s SER 19 Ca 0.62 0.49 -0.12 0.00 0.48 0.00 0.00 55.95 57.42 2aiv s SER 19 Cb -0.18 -0.71 0.18 0.00 0.10 0.00 0.00 66.02 65.41 2aiv s SER 19 CO 0.53 -2.61 1.79 -0.07 0.98 0.00 0.00 173.24 173.87 2aiv h LEU 20 N -1.55 0.42 -0.38 2.42 4.07 -1.97 0.14 115.31 118.47 2aiv h LEU 20 Ca -0.45 0.03 -0.15 0.00 0.08 0.00 0.00 57.88 57.39 2aiv h LEU 20 Cb 1.27 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.96 2aiv h LEU 20 CO 0.47 0.28 -0.34 0.25 -1.08 0.00 0.00 178.44 178.02 2aiv h LEU 21 N 0.56 0.96 -0.47 1.67 6.46 -2.00 -2.91 115.31 119.58 2aiv h LEU 21 Ca 0.25 -0.46 -0.09 0.00 -0.12 0.00 0.00 57.88 57.47 2aiv h LEU 21 Cb 0.16 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.80 2aiv h LEU 21 CO -0.17 1.21 -0.04 -0.61 -0.62 0.00 0.00 178.44 178.21 2aiv h GLN 22 N 0.71 0.85 -0.77 1.25 5.75 -1.79 -2.46 115.11 118.65 2aiv h GLN 22 Ca 0.06 -0.29 -0.05 0.00 -0.15 0.00 0.00 58.65 58.23 2aiv h GLN 22 Cb 0.93 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.38 2aiv h GLN 22 CO 0.09 0.92 0.30 -0.07 -2.65 0.00 0.00 178.83 177.42 2aiv h LEU 23 N 0.70 1.07 -0.75 -2.39 3.38 -0.77 -2.83 115.31 113.70 2aiv h LEU 23 Ca 0.13 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2aiv h LEU 23 Cb 0.57 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2aiv h LEU 23 CO 0.03 0.95 0.37 0.03 0.09 0.00 0.00 178.44 179.91 2aiv h ARG 24 N 1.12 1.08 -3.14 1.13 3.08 -1.41 -2.48 114.38 113.77 2aiv h ARG 24 Ca 0.26 -0.16 -0.69 0.00 0.07 0.00 0.00 59.98 59.46 2aiv h ARG 24 Cb 0.22 -0.20 -0.36 0.00 0.08 0.00 0.00 29.97 29.71 2aiv h ARG 24 CO -0.02 0.84 -0.13 1.17 -1.07 0.00 0.00 179.97 180.76 2aiv n LYS 25 N -4.40 2.67 -1.99 0.04 4.81 -0.94 -3.44 118.16 114.91 2aiv n LYS 25 Ca 0.07 -4.51 -0.43 0.00 -0.87 0.00 0.00 58.31 52.57 2aiv n LYS 25 Cb 0.13 -2.39 -0.03 0.00 0.02 0.00 0.00 35.03 32.76 2aiv n LYS 25 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2aiv s VAL 26 N -1.62 3.48 0.00 3.15 -7.23 -1.21 -4.81 120.40 112.17 2aiv s VAL 26 Ca 0.29 0.50 0.00 0.00 -1.81 0.00 0.00 61.98 60.96 2aiv s VAL 26 Cb -0.04 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.29 2aiv s VAL 26 CO -0.10 -0.36 0.00 -0.81 -0.31 0.00 0.00 175.10 173.51 2aiv n PRO 27 N 8.30 1.84 -2.90 4.82 -0.04 -1.26 -4.28 135.00 141.47 2aiv n PRO 27 Ca 0.22 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.25 2aiv n PRO 27 Cb 0.46 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.87 2aiv n PRO 27 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2aiv s HIS 28 N 0.00 2.94 -0.13 0.54 3.76 -1.26 -4.75 115.29 116.40 2aiv s HIS 28 Ca 0.00 0.21 -0.07 0.00 -0.15 0.00 0.00 55.06 55.05 2aiv s HIS 28 Cb 0.00 -3.82 -0.04 0.00 1.11 0.00 0.00 32.58 29.83 2aiv s HIS 28 CO 0.00 -1.07 0.12 -0.51 -0.85 0.00 0.00 174.74 172.43 2aiv s LEU 29 N 3.52 4.24 -0.18 0.89 1.43 -1.18 -4.93 118.68 122.47 2aiv s LEU 29 Ca 0.32 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 2aiv s LEU 29 Cb -0.12 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.09 2aiv s LEU 29 CO 0.23 0.37 -0.19 -0.69 0.23 0.00 0.00 176.35 176.30 2aiv s VAL 30 N -0.77 2.13 -0.11 -1.59 1.01 -1.24 -3.28 120.40 116.55 2aiv s VAL 30 Ca 0.13 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.23 2aiv s VAL 30 Cb -0.12 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2aiv s VAL 30 CO 0.03 0.54 -0.23 -0.69 0.00 0.00 0.00 175.10 174.74 2aiv s VAL 31 N 1.24 2.03 -0.03 2.92 1.01 -1.06 -1.51 120.40 124.99 2aiv s VAL 31 Ca 0.03 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.04 2aiv s VAL 31 Cb -0.13 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.49 2aiv s VAL 31 CO -0.11 0.55 -0.08 -0.83 0.00 0.00 0.00 175.10 174.63 2aiv s GLY 32 N 0.44 0.52 -0.08 4.51 0.00 -0.94 -0.45 107.32 111.33 2aiv s GLY 32 Ca -0.17 -0.25 0.05 0.00 0.00 0.00 0.00 44.72 44.35 2aiv s GLY 32 CO 0.07 0.08 -0.24 0.30 0.00 0.00 0.00 173.10 173.31 2aiv s HIS 33 N 0.44 2.50 0.16 1.90 3.76 0.18 -2.33 115.29 121.89 2aiv s HIS 33 Ca -0.07 -0.90 -0.10 0.00 -0.15 0.00 0.00 55.06 53.85 2aiv s HIS 33 Cb -0.11 -1.65 0.01 0.00 1.11 0.00 0.00 32.58 31.93 2aiv s HIS 33 CO 0.01 -0.33 1.54 0.87 -0.85 0.00 0.00 174.74 175.98 2aiv h LYS 34 N 6.41 0.97 -0.57 1.40 1.57 -1.71 1.19 116.57 125.84 2aiv h LYS 34 Ca -0.25 -0.44 -0.10 0.00 -1.87 0.00 0.00 60.65 57.99 2aiv h LYS 34 Cb 1.21 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 2aiv h LYS 34 CO 0.47 1.11 -0.05 0.66 -0.57 0.00 0.00 179.45 181.07 2aiv h SER 35 N 0.83 1.03 0.00 0.86 4.64 -1.91 -3.34 113.55 115.66 2aiv h SER 35 Ca 0.10 -0.33 -0.06 0.00 -0.47 0.00 0.00 61.79 61.03 2aiv h SER 35 Cb 0.84 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2aiv h SER 35 CO 0.07 1.11 -1.60 -1.22 -0.87 0.00 0.00 176.83 174.33 2aiv n TYR 36 N -4.18 0.00 0.00 4.77 4.01 -1.23 -4.90 117.16 115.63 2aiv n TYR 36 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2aiv n TYR 36 Cb 0.37 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 2aiv n TYR 36 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aiv n GLY 37 N 1.97 1.60 3.83 2.72 0.00 0.41 -3.96 105.19 111.76 2aiv n GLY 37 Ca -0.07 -2.19 -0.37 0.00 0.00 0.00 0.00 46.02 43.39 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 -1.39 3.79 0.17 1.61 1.02 -1.18 0.50 119.74 124.24 2aiv s LYS 38 Ca 0.00 0.13 0.06 0.00 0.02 0.00 0.00 55.97 56.17 2aiv s LYS 38 Cb 0.00 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 2aiv s LYS 38 CO 0.00 0.64 -0.12 0.96 -0.92 0.00 0.00 175.35 175.92 2aiv s ILE 39 N -0.77 1.36 0.03 2.17 -4.36 0.41 -2.62 121.20 117.41 2aiv s ILE 39 Ca 0.19 -2.10 -0.01 0.00 -0.26 0.00 0.00 60.65 58.47 2aiv s ILE 39 Cb -0.14 -1.91 -0.02 0.00 1.25 0.00 0.00 42.46 41.64 2aiv s ILE 39 CO 0.08 -0.69 -0.02 -1.61 0.24 0.00 0.00 174.94 172.94 2aiv s GLU 40 N -3.69 0.40 -0.29 0.37 2.02 -0.86 -2.55 118.70 114.10 2aiv s GLU 40 Ca 0.18 -0.76 -0.13 0.00 0.02 0.00 0.00 54.97 54.28 2aiv s GLU 40 Cb 0.01 0.14 0.13 0.00 0.10 0.00 0.00 34.13 34.51 2aiv s GLU 40 CO 0.03 -0.07 0.77 -0.59 0.02 0.00 0.00 175.26 175.41 2aiv s PHE 41 N -2.10 -1.05 -1.88 1.61 -0.71 -1.21 -3.13 117.98 109.52 2aiv s PHE 41 Ca -0.10 1.91 0.22 0.00 -1.04 0.00 0.00 56.93 57.92 2aiv s PHE 41 Cb -0.05 0.63 0.65 0.00 -1.21 0.00 0.00 43.02 43.04 2aiv s PHE 41 CO -0.03 -0.52 1.55 1.28 -1.34 0.00 0.00 175.22 176.15 2aiv n LEU 42 N 4.86 4.00 -4.77 -1.99 4.32 -1.26 -3.13 117.00 119.02 2aiv n LEU 42 Ca -0.14 -2.00 -0.34 0.00 -0.02 0.00 0.00 56.01 53.51 2aiv n LEU 42 Cb 0.53 -0.50 0.03 0.00 -1.62 0.00 0.00 43.42 41.86 2aiv n LEU 42 CO -0.03 0.94 0.75 -1.83 -1.22 0.00 0.00 177.39 176.01 2aiv s GLU 43 N -1.15 3.00 0.53 3.23 4.04 -1.26 -4.72 118.70 122.37 2aiv s GLU 43 Ca 0.49 1.43 0.03 0.00 0.04 0.00 0.00 54.97 56.96 2aiv s GLU 43 Cb 0.26 -1.97 0.02 0.00 0.02 0.00 0.00 34.13 32.45 2aiv s GLU 43 CO 0.32 -1.10 0.21 -1.25 -1.84 0.00 0.00 175.26 171.60 2aiv s PRO 44 N -3.87 2.23 0.00 -4.83 0.04 -1.26 -4.82 135.00 122.48 2aiv s PRO 44 Ca 0.68 -2.21 0.00 0.00 0.04 0.00 0.00 61.00 59.51 2aiv s PRO 44 Cb -0.21 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2aiv s PRO 44 CO 0.37 -0.50 0.00 1.55 0.04 0.00 0.00 177.00 178.46 2aiv n VAL 45 N -1.53 0.00 -3.59 -0.36 3.14 -1.25 -4.38 118.33 110.36 2aiv n VAL 45 Ca -0.10 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 60.90 2aiv n VAL 45 Cb 0.66 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.33 2aiv n VAL 45 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2aiv s ASP 46 N 0.00 6.03 0.00 6.55 -1.08 -1.22 -3.45 116.67 123.49 2aiv s ASP 46 Ca 0.00 -0.00 0.24 0.00 -0.52 0.00 0.00 52.55 52.27 2aiv s ASP 46 Cb 0.00 -2.12 0.29 0.00 -1.46 0.00 0.00 42.92 39.63 2aiv s ASP 46 CO 0.00 -0.05 1.32 -0.11 0.52 0.00 0.00 175.17 176.85 2aiv n LEU 47 N 5.06 3.12 -0.34 -1.34 7.94 -0.93 -4.27 117.00 126.24 2aiv n LEU 47 Ca -0.14 -1.15 -0.04 0.00 -1.11 0.00 0.00 56.01 53.58 2aiv n LEU 47 Cb 0.52 -0.08 0.09 0.00 0.53 0.00 0.00 43.42 44.48 2aiv n LEU 47 CO 0.33 0.57 1.20 0.00 -1.11 0.00 0.00 177.39 178.39 2aiv h ALA 48 N 4.64 1.16 0.00 1.96 0.00 -1.91 -3.37 119.26 121.75 2aiv h ALA 48 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2aiv h ALA 48 Cb 0.99 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2aiv h ALA 48 CO 0.00 0.64 -0.59 0.41 0.00 0.00 0.00 179.25 179.71 2aiv n GLY 49 N -1.19 -0.66 3.56 0.00 0.00 -1.26 -4.83 105.19 100.81 2aiv n GLY 49 Ca 0.10 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 2aiv n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aiv s ILE 50 N -2.21 3.40 -0.51 -0.61 -1.09 -1.26 -4.84 121.20 114.08 2aiv s ILE 50 Ca -0.17 -0.28 0.01 0.00 -2.23 0.00 0.00 60.65 57.99 2aiv s ILE 50 Cb 0.02 -3.92 0.55 0.00 -1.58 0.00 0.00 42.46 37.53 2aiv s ILE 50 CO 0.25 -0.87 1.94 -0.81 -1.23 0.00 0.00 174.94 174.22 2aiv n PRO 51 N 8.89 2.35 -0.22 2.79 -0.04 -1.26 -4.56 135.00 142.95 2aiv n PRO 51 Ca 0.38 -2.95 -0.08 0.00 -0.04 0.00 0.00 63.50 60.81 2aiv n PRO 51 Cb 0.47 -2.16 0.05 0.00 -0.04 0.00 0.00 33.50 31.82 2aiv n PRO 51 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2aiv h LEU 52 N 1.43 1.05 -0.65 1.53 3.38 -1.92 -2.86 115.31 117.26 2aiv h LEU 52 Ca 0.59 -0.27 0.14 0.00 0.09 0.00 0.00 57.88 58.43 2aiv h LEU 52 Cb 1.99 -0.28 -0.12 0.00 0.09 0.00 0.00 40.66 42.34 2aiv h LEU 52 CO 1.24 1.06 -0.08 0.71 0.09 0.00 0.00 178.44 181.46 2aiv h THR 53 N 1.00 0.40 -0.59 0.22 1.35 -1.81 0.58 112.91 114.06 2aiv h THR 53 Ca 0.19 -0.02 -0.10 0.00 -0.55 0.00 0.00 66.41 65.93 2aiv h THR 53 Cb 0.50 0.34 -0.02 0.00 -1.73 0.00 0.00 68.15 67.24 2aiv h THR 53 CO 0.02 0.01 -0.04 -1.28 -0.25 0.00 0.00 175.52 173.98 2aiv h SER 54 N 0.05 1.04 -0.92 5.36 0.87 -1.81 -2.83 113.55 115.31 2aiv h SER 54 Ca 0.33 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2aiv h SER 54 Cb 0.53 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 2aiv h SER 54 CO -0.62 1.11 0.59 -0.07 -0.53 0.00 0.00 176.83 177.31 2aiv h LEU 55 N 0.95 1.08 0.00 2.23 3.38 -0.46 -3.48 115.31 119.02 2aiv h LEU 55 Ca 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2aiv h LEU 55 Cb 0.60 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2aiv h LEU 55 CO 0.04 0.80 0.00 0.61 0.09 0.00 0.00 178.44 179.98 2aiv n GLY 56 N -1.33 -1.27 0.53 0.83 0.00 0.17 -4.98 105.19 99.13 2aiv n GLY 56 Ca 0.11 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.01 1.35 0.37 -0.02 0.00 -1.26 -3.94 105.19 101.67 2aiv n GLY 57 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 0.22 1.26 -0.32 1.61 2.07 -1.89 -2.50 116.25 116.70 2aiv h VAL 58 Ca 0.00 -0.56 -0.16 0.00 0.82 0.00 0.00 66.70 66.79 2aiv h VAL 58 Cb 0.53 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2aiv h VAL 58 CO 0.02 0.27 -0.44 0.40 0.02 0.00 0.00 177.57 177.85 2aiv h ILE 59 N 1.32 1.28 -3.07 4.57 1.08 -1.82 -3.43 117.51 117.44 2aiv h ILE 59 Ca 0.34 -1.62 -0.67 0.00 -0.39 0.00 0.00 64.86 62.53 2aiv h ILE 59 Cb -0.06 1.53 -0.35 0.00 -3.07 0.00 0.00 36.82 34.87 2aiv h ILE 59 CO -0.07 0.53 -0.86 -0.63 -0.69 0.00 0.00 178.15 176.44 2aiv s ILE 60 N -4.26 2.06 -0.01 -0.67 1.01 -0.94 -4.55 121.20 113.84 2aiv s ILE 60 Ca -0.11 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.64 2aiv s ILE 60 Cb 0.10 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 2aiv s ILE 60 CO 0.88 0.54 -0.14 0.42 0.00 0.00 0.00 174.94 176.64 2aiv s THR 61 N 1.29 1.07 -0.21 2.92 -4.23 -1.19 -4.61 115.64 110.68 2aiv s THR 61 Ca 0.05 -0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 59.93 2aiv s THR 61 Cb -0.13 -0.90 0.07 0.00 1.34 0.00 0.00 72.50 72.88 2aiv s THR 61 CO -0.13 0.29 0.07 0.12 -0.54 0.00 0.00 174.62 174.44 2aiv s PHE 62 N -0.34 0.69 0.22 3.99 5.36 -1.26 -3.00 117.98 123.64 2aiv s PHE 62 Ca 0.05 -0.73 -0.30 0.00 -0.96 0.00 0.00 56.93 54.99 2aiv s PHE 62 Cb -0.05 -0.94 -0.09 0.00 -0.34 0.00 0.00 43.02 41.60 2aiv s PHE 62 CO -0.00 -0.62 0.94 -1.21 -1.46 0.00 0.00 175.22 172.87 2aiv s GLU 63 N 1.97 4.84 0.00 10.12 0.41 0.69 -4.91 118.70 131.82 2aiv s GLU 63 Ca 0.02 1.49 -0.02 0.00 -0.41 0.00 0.00 54.97 56.05 2aiv s GLU 63 Cb -0.17 -3.29 -0.08 0.00 -1.78 0.00 0.00 34.13 28.81 2aiv s GLU 63 CO -0.14 0.48 1.90 -0.35 -0.49 0.00 0.00 175.26 176.66 2aiv n PRO 64 N 1.66 0.96 0.00 0.39 -0.04 -1.26 -1.60 135.00 135.11 2aiv n PRO 64 Ca -0.01 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.13 2aiv n PRO 64 Cb 0.47 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 2aiv n PRO 64 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2aiv n LYS 65 N 2.16 0.00 -3.76 0.54 5.02 -1.26 -4.87 118.16 115.99 2aiv n LYS 65 Ca 0.14 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.29 2aiv n LYS 65 Cb 0.46 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.38 2aiv n LYS 65 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2aiv s THR 66 N -0.88 0.06 -0.28 -0.18 -1.32 -0.63 -4.98 115.64 107.43 2aiv s THR 66 Ca 0.00 -0.47 -0.06 0.00 -1.21 0.00 0.00 61.69 59.95 2aiv s THR 66 Cb 0.00 -0.62 0.00 0.00 -1.51 0.00 0.00 72.50 70.37 2aiv s THR 66 CO 0.00 -0.26 0.05 0.00 -2.21 0.00 0.00 174.62 172.20 2aiv s ILE 68 N 1.50 2.07 -0.16 0.00 1.01 -1.16 -4.97 121.20 119.48 2aiv s ILE 68 Ca 0.03 -0.97 -0.22 0.00 0.00 0.00 0.00 60.65 59.50 2aiv s ILE 68 Cb -0.16 -1.88 -0.19 0.00 0.01 0.00 0.00 42.46 40.23 2aiv s ILE 68 CO 0.01 0.52 0.43 0.16 0.00 0.00 0.00 174.94 176.06 2aiv h ILE 69 N 5.97 1.18 -0.41 2.92 3.07 -1.88 -3.16 117.51 125.19 2aiv h ILE 69 Ca -0.45 -2.06 -0.15 0.00 1.55 0.00 0.00 64.86 63.75 2aiv h ILE 69 Cb 1.14 2.40 -0.01 0.00 -0.27 0.00 0.00 36.82 40.08 2aiv h ILE 69 CO 0.63 0.40 -0.31 0.10 -1.05 0.00 0.00 178.15 177.92 2aiv h TYR 70 N -1.00 1.10 0.00 0.16 -0.00 -1.93 -3.40 116.97 111.90 2aiv h TYR 70 Ca -0.13 -0.31 0.00 0.00 -0.00 0.00 0.00 58.73 58.30 2aiv h TYR 70 Cb 0.98 -0.24 0.00 0.00 -0.00 0.00 0.00 36.73 37.47 2aiv h TYR 70 CO 0.15 1.13 0.00 0.00 -0.00 0.00 0.00 178.16 179.44 2aiv n ALA 71 N -2.53 0.00 1.70 0.10 0.00 -1.26 0.13 120.51 118.65 2aiv n ALA 71 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.58 2aiv n ALA 71 Cb 0.51 0.00 0.83 0.00 0.00 0.00 0.00 19.45 20.78 2aiv n ALA 71 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2aiv n ASN 72 N 1.40 0.09 -4.56 0.00 5.15 -1.26 -4.77 115.26 111.30 2aiv n ASN 72 Ca 0.00 -0.63 -0.40 0.00 -0.60 0.00 0.00 54.58 52.95 2aiv n ASN 72 Cb 0.00 -0.12 -0.03 0.00 -0.53 0.00 0.00 39.78 39.10 2aiv n ASN 72 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2aiv s LEU 73 N -2.27 3.37 -0.46 1.20 1.02 0.36 -4.83 118.68 117.06 2aiv s LEU 73 Ca 0.38 0.68 0.04 0.00 0.02 0.00 0.00 54.13 55.25 2aiv s LEU 73 Cb 0.21 -2.83 0.56 0.00 0.02 0.00 0.00 46.19 44.16 2aiv s LEU 73 CO 0.42 -2.21 1.80 -0.81 0.02 0.00 0.00 176.35 175.56 2aiv n PRO 74 N 8.93 2.36 -0.10 1.29 -0.04 -1.26 -4.18 135.00 142.01 2aiv n PRO 74 Ca 0.22 -3.20 0.06 0.00 -0.04 0.00 0.00 63.50 60.54 2aiv n PRO 74 Cb 0.51 -2.13 0.11 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.06 2.44 -0.11 3.54 3.02 -1.26 -4.88 115.26 116.96 2aiv n ASN 75 Ca 0.54 -2.62 0.02 0.00 -0.03 0.00 0.00 54.58 52.49 2aiv n ASN 75 Cb 1.23 -0.28 0.05 0.00 -0.61 0.00 0.00 39.78 40.17 2aiv n ASN 75 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2aiv n ARG 76 N -0.86 -0.03 0.00 3.52 1.74 -1.26 -0.18 116.66 119.60 2aiv n ARG 76 Ca 0.11 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 2aiv n ARG 76 Cb 0.52 -0.72 0.00 0.00 -1.02 0.00 0.00 32.46 31.24 2aiv n ARG 76 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2aiv n PRO 77 N -4.49 0.16 -1.18 5.56 -0.04 -1.26 -4.59 135.00 129.16 2aiv n PRO 77 Ca 0.05 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.09 2aiv n PRO 77 Cb 0.16 -1.17 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 2aiv n PRO 77 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2aiv n LYS 78 N 0.55 1.38 -0.30 0.54 5.02 0.75 -4.66 118.16 121.44 2aiv n LYS 78 Ca 0.00 -1.83 -0.03 0.00 -2.02 0.00 0.00 58.31 54.43 2aiv n LYS 78 Cb 0.05 -2.96 0.13 0.00 -0.02 0.00 0.00 35.03 32.23 2aiv n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2aiv h ARG 79 N 8.26 1.18 0.10 1.97 3.08 -1.85 -3.33 114.38 123.79 2aiv h ARG 79 Ca 0.39 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 2aiv h ARG 79 Cb 0.70 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2aiv h ARG 79 CO 1.90 0.86 -0.05 0.78 -1.07 0.00 0.00 179.97 182.39 2aiv h GLY 80 N 1.20 -0.14 -4.47 0.04 0.00 -1.95 0.12 103.07 97.87 2aiv h GLY 80 Ca 0.30 0.05 -0.41 0.00 0.00 0.00 0.00 47.33 47.27 2aiv h GLY 80 CO -0.05 -0.05 -0.78 -1.83 0.00 0.00 0.00 176.54 173.83 2aiv s GLU 81 N -2.21 0.82 0.00 4.80 1.03 -1.25 -4.61 118.70 117.28 2aiv s GLU 81 Ca -0.02 -0.96 0.00 0.00 0.03 0.00 0.00 54.97 54.02 2aiv s GLU 81 Cb 0.00 -0.83 0.00 0.00 -0.80 0.00 0.00 34.13 32.50 2aiv s GLU 81 CO 0.06 0.18 0.00 0.41 -1.33 0.00 0.00 175.26 174.58 2aiv n GLY 82 N 1.27 -1.38 3.64 -3.83 0.00 -1.26 -4.65 105.19 98.99 2aiv n GLY 82 Ca -0.21 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 2aiv n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aiv s ILE 83 N -3.00 5.20 -0.45 -0.61 -1.09 -1.26 -4.60 121.20 115.39 2aiv s ILE 83 Ca 0.00 0.62 -0.21 0.00 -2.23 0.00 0.00 60.65 58.83 2aiv s ILE 83 Cb 0.00 -3.70 0.03 0.00 -1.58 0.00 0.00 42.46 37.20 2aiv s ILE 83 CO 0.00 0.22 0.68 0.20 -1.23 0.00 0.00 174.94 174.81 2aiv s ASN 84 N 1.27 6.34 0.00 3.58 0.01 -1.26 -4.91 114.94 119.96 2aiv s ASN 84 Ca 0.17 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.99 2aiv s ASN 84 Cb -0.15 -2.33 0.00 0.00 0.41 0.00 0.00 41.25 39.18 2aiv s ASN 84 CO 0.08 -0.82 0.02 0.52 -1.51 0.00 0.00 177.10 175.39 2aiv n VAL 85 N 5.91 0.00 -1.15 1.60 0.31 -1.26 -4.35 118.33 119.39 2aiv n VAL 85 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.89 2aiv n VAL 85 Cb 0.48 -0.49 -0.06 0.00 -0.91 0.00 0.00 33.84 32.86 2aiv n VAL 85 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2aiv n ARG 86 N -0.50 1.46 -3.95 5.55 1.74 -1.22 -3.67 116.66 116.07 2aiv n ARG 86 Ca 0.00 -1.83 -0.08 0.00 -0.77 0.00 0.00 57.85 55.17 2aiv n ARG 86 Cb 0.00 -2.92 -0.08 0.00 -1.02 0.00 0.00 32.46 28.44 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 5.17 0.06 -0.27 7.54 0.00 -1.26 -4.15 121.76 128.85 2aiv s ALA 87 Ca 0.58 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 51.59 2aiv s ALA 87 Cb 0.14 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 2aiv s ALA 87 CO 0.13 -0.46 0.16 0.50 0.00 0.00 0.00 175.76 176.09 2aiv s ARG 88 N -3.88 3.84 -0.13 0.00 3.52 -1.18 -3.48 118.95 117.64 2aiv s ARG 88 Ca 0.06 -0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.28 2aiv s ARG 88 Cb 0.06 -3.56 -0.01 0.00 -1.56 0.00 0.00 34.95 29.87 2aiv s ARG 88 CO -0.11 -0.19 -0.14 0.42 -0.81 0.00 0.00 175.30 174.47 2aiv s ILE 89 N 1.72 2.92 -0.10 4.11 1.01 -1.16 -2.02 121.20 127.67 2aiv s ILE 89 Ca 0.07 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.05 2aiv s ILE 89 Cb -0.16 -2.22 -0.00 0.00 0.01 0.00 0.00 42.46 40.10 2aiv s ILE 89 CO 0.09 0.53 -0.23 -0.89 0.00 0.00 0.00 174.94 174.43 2aiv s THR 90 N 0.38 2.14 0.05 2.92 2.01 -1.08 -3.32 115.64 118.74 2aiv s THR 90 Ca -0.12 -0.99 -0.01 0.00 0.31 0.00 0.00 61.69 60.88 2aiv s THR 90 Cb -0.16 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 2aiv s THR 90 CO 0.06 0.56 -0.03 0.00 -0.69 0.00 0.00 174.62 174.52 2aiv n PHE 92 N 0.11 -0.62 -3.56 0.00 -1.74 -1.25 -3.90 117.46 106.49 2aiv n PHE 92 Ca -0.14 -2.03 -0.21 0.00 -0.56 0.00 0.00 57.45 54.50 2aiv n PHE 92 Cb 0.61 -0.39 0.08 0.00 1.52 0.00 0.00 39.48 41.30 2aiv n PHE 92 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 2aiv n ASN 93 N -1.83 -3.97 -0.24 5.98 3.02 -1.26 -4.65 115.26 112.32 2aiv n ASN 93 Ca -0.03 -0.62 -0.03 0.00 -0.03 0.00 0.00 54.58 53.87 2aiv n ASN 93 Cb 0.55 -4.91 0.14 0.00 -0.61 0.00 0.00 39.78 34.94 2aiv n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2aiv s TYR 95 N -5.56 1.65 -0.45 0.00 2.02 -1.26 -4.88 117.35 108.86 2aiv s TYR 95 Ca -0.11 0.91 -0.04 0.00 -0.37 0.00 0.00 57.07 57.46 2aiv s TYR 95 Cb 0.16 -3.94 0.06 0.00 -0.40 0.00 0.00 41.96 37.85 2aiv s TYR 95 CO 0.82 -1.84 2.77 -0.35 -1.57 0.00 0.00 175.55 175.38 2aiv n PRO 96 N 8.91 2.40 -1.06 -1.71 -0.04 -1.26 -4.92 135.00 137.31 2aiv n PRO 96 Ca 0.38 -2.34 0.11 0.00 -0.04 0.00 0.00 63.50 61.61 2aiv n PRO 96 Cb 0.47 -2.14 -0.04 0.00 -0.04 0.00 0.00 33.50 31.75 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 0.87 -0.06 -3.54 0.52 3.14 -1.26 -4.72 118.33 113.28 2aiv n VAL 97 Ca 0.49 0.32 -0.40 0.00 -2.96 0.00 0.00 64.34 61.78 2aiv n VAL 97 Cb 0.55 -0.60 -0.11 0.00 -1.06 0.00 0.00 33.84 32.62 2aiv n VAL 97 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 2aiv s ASP 98 N -5.56 6.03 0.15 6.55 -0.00 -1.24 -4.96 116.67 117.64 2aiv s ASP 98 Ca 0.00 -0.40 -0.09 0.00 -0.00 0.00 0.00 52.55 52.06 2aiv s ASP 98 Cb 0.00 -2.13 -0.01 0.00 -0.00 0.00 0.00 42.92 40.78 2aiv s ASP 98 CO 0.00 -0.22 1.48 0.11 -0.00 0.00 0.00 175.17 176.54 2aiv h LYS 99 N 8.47 0.86 -0.19 8.23 1.57 -1.93 1.12 116.57 134.70 2aiv h LYS 99 Ca -0.32 -0.47 0.04 0.00 -1.87 0.00 0.00 60.65 58.03 2aiv h LYS 99 Cb 1.16 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2aiv h LYS 99 CO 0.63 1.12 0.13 0.66 -0.57 0.00 0.00 179.45 181.42 2aiv h SER 100 N 0.70 0.07 0.00 0.86 4.64 -2.01 -3.04 113.55 114.77 2aiv h SER 100 Ca 0.05 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2aiv h SER 100 Cb 1.01 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2aiv h SER 100 CO 0.10 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.46 2aiv n THR 101 N -4.49 0.00 -1.73 2.95 -2.24 -1.19 -4.99 114.28 102.59 2aiv n THR 101 Ca 0.01 -0.49 -0.21 0.00 -2.27 0.00 0.00 64.05 61.10 2aiv n THR 101 Cb 0.22 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.78 -1.47 -2.16 -0.78 5.12 0.38 -4.89 116.66 112.10 2aiv n ARG 102 Ca 0.00 1.19 -0.34 0.00 -1.93 0.00 0.00 57.85 56.77 2aiv n ARG 102 Cb 0.00 -5.61 -0.04 0.00 -1.16 0.00 0.00 32.46 25.66 2aiv n ARG 102 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2aiv s LYS 103 N -3.96 2.77 -0.61 5.56 2.47 -1.07 -4.89 119.74 120.01 2aiv s LYS 103 Ca 0.00 -0.09 -0.33 0.00 -1.56 0.00 0.00 55.97 53.99 2aiv s LYS 103 Cb 0.00 -4.79 -0.15 0.00 -1.46 0.00 0.00 37.83 31.43 2aiv s LYS 103 CO 0.00 -2.90 2.40 -2.30 0.16 0.00 0.00 175.35 172.71 2aiv n PRO 104 N 9.02 0.59 -3.49 4.03 -0.02 -1.26 -3.63 135.00 140.24 2aiv n PRO 104 Ca 0.29 0.09 -0.41 0.00 -2.02 0.00 0.00 63.50 61.45 2aiv n PRO 104 Cb 0.49 -2.26 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 2aiv n PRO 104 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2aiv s ILE 105 N 8.83 5.26 -0.25 4.25 1.01 -1.26 -4.93 121.20 134.11 2aiv s ILE 105 Ca 1.17 -0.37 0.12 0.00 0.00 0.00 0.00 60.65 61.56 2aiv s ILE 105 Cb -0.91 -3.81 0.46 0.00 0.01 0.00 0.00 42.46 38.20 2aiv s ILE 105 CO 0.46 -0.14 1.18 2.29 0.00 0.00 0.00 174.94 178.73 2aiv n LYS 106 N 5.16 2.66 -4.18 2.79 2.85 -1.26 -4.48 118.16 121.71 2aiv n LYS 106 Ca -0.12 -3.75 -0.15 0.00 -1.05 0.00 0.00 58.31 53.25 2aiv n LYS 106 Cb 0.49 -1.89 -0.07 0.00 -0.65 0.00 0.00 35.03 32.90 2aiv n LYS 106 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2aiv s ASP 107 N -3.46 0.88 -0.80 -5.58 1.01 -1.26 -5.11 116.67 102.34 2aiv s ASP 107 Ca 0.43 -1.50 0.01 0.00 0.71 0.00 0.00 52.55 52.20 2aiv s ASP 107 Cb 0.39 0.54 0.20 0.00 1.01 0.00 0.00 42.92 45.05 2aiv s ASP 107 CO -0.01 -1.08 0.65 -2.16 0.21 0.00 0.00 175.17 172.78 2aiv s PRO 108 N -3.58 2.91 -0.20 8.23 0.04 -1.26 -4.96 135.00 136.18 2aiv s PRO 108 Ca 0.36 -3.25 -0.01 0.00 0.04 0.00 0.00 61.00 58.14 2aiv s PRO 108 Cb 0.02 -3.74 0.01 0.00 0.04 0.00 0.00 34.50 30.84 2aiv s PRO 108 CO 0.20 -1.26 -0.13 1.21 0.04 0.00 0.00 177.00 177.05 2aiv s ASN 109 N -0.58 3.69 0.00 6.66 2.47 -1.26 -4.97 114.94 120.95 2aiv s ASN 109 Ca 0.26 -0.59 0.00 0.00 0.42 0.00 0.00 52.86 52.94 2aiv s ASN 109 Cb -0.07 -1.59 0.00 0.00 -1.45 0.00 0.00 41.25 38.13 2aiv s ASN 109 CO -0.13 -0.02 0.32 0.00 -3.72 0.00 0.00 177.10 173.55 2aiv n HIS 110 N 4.68 0.00 -0.33 0.43 1.44 -1.26 -3.92 115.22 116.26 2aiv n HIS 110 Ca -0.19 -0.12 -0.03 0.00 -2.01 0.00 0.00 57.72 55.37 2aiv n HIS 110 Cb 0.50 -0.11 0.12 0.00 0.12 0.00 0.00 29.99 30.62 2aiv n HIS 110 CO 0.00 0.00 0.00 0.37 -2.81 0.00 0.00 176.34 173.90 2aiv h GLN 111 N 0.92 1.24 0.00 -1.40 5.75 -2.01 -3.25 115.11 116.35 2aiv h GLN 111 Ca 0.00 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 2aiv h GLN 111 Cb 0.32 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 28.62 2aiv h GLN 111 CO 0.00 0.87 -0.05 1.47 -2.65 0.00 0.00 178.83 178.47 2aiv n LEU 112 N -4.35 0.85 -0.19 -2.39 -0.00 -1.25 -4.80 117.00 104.86 2aiv n LEU 112 Ca 0.10 -1.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.01 2aiv n LEU 112 Cb 0.06 -0.03 0.01 0.00 -0.00 0.00 0.00 43.42 43.47 2aiv n LEU 112 CO 0.38 0.25 0.79 0.58 -0.00 0.00 0.00 177.39 179.39 2aiv h VAL 113 N 2.15 1.27 -0.90 1.47 2.07 -1.74 -3.11 116.25 117.45 2aiv h VAL 113 Ca 0.00 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 2aiv h VAL 113 Cb 0.87 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 2aiv h VAL 113 CO 0.00 0.42 0.53 0.11 0.02 0.00 0.00 177.57 178.65 2aiv h LYS 114 N 0.89 1.23 -0.79 1.57 1.57 -1.87 -2.37 116.57 116.80 2aiv h LYS 114 Ca 0.15 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2aiv h LYS 114 Cb 0.59 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 2aiv h LYS 114 CO 0.04 0.86 0.49 0.00 -0.57 0.00 0.00 179.45 180.27 2aiv h ARG 115 N 1.24 1.07 -0.82 3.15 3.08 -1.89 -1.14 114.38 119.07 2aiv h ARG 115 Ca 0.32 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 2aiv h ARG 115 Cb -0.04 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 29.75 2aiv h ARG 115 CO -0.06 0.74 0.37 1.25 -1.07 0.00 0.00 179.97 181.20 2aiv h HIS 116 N 1.08 1.20 -0.40 3.04 2.76 -1.41 -2.60 115.15 118.81 2aiv h HIS 116 Ca 0.29 -0.07 -0.11 0.00 -2.20 0.00 0.00 60.37 58.27 2aiv h HIS 116 Cb -0.06 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 28.52 2aiv h HIS 116 CO -0.01 0.88 -0.21 0.82 -1.30 0.00 0.00 177.93 178.11 2aiv h ILE 117 N 1.17 1.27 -0.87 6.26 1.08 -0.94 -2.66 117.51 122.83 2aiv h ILE 117 Ca 0.28 -1.32 -0.01 0.00 -0.39 0.00 0.00 64.86 63.42 2aiv h ILE 117 Cb 0.15 1.18 -0.04 0.00 -3.07 0.00 0.00 36.82 35.04 2aiv h ILE 117 CO -0.03 0.44 0.50 -0.33 -0.69 0.00 0.00 178.15 178.04 2aiv h GLU 118 N 0.69 1.20 -0.67 2.37 5.08 -0.86 0.79 114.58 123.19 2aiv h GLU 118 Ca 0.10 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2aiv h GLU 118 Cb 0.72 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2aiv h GLU 118 CO 0.06 0.86 0.16 0.00 -1.00 0.00 0.00 179.01 179.09 2aiv h ARG 119 N 1.21 1.08 -0.65 2.33 3.08 -1.33 -2.63 114.38 117.46 2aiv h ARG 119 Ca 0.31 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 2aiv h ARG 119 Cb -0.00 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 2aiv h ARG 119 CO -0.05 0.96 0.15 -0.07 -1.07 0.00 0.00 179.97 179.88 2aiv h LEU 120 N 1.01 0.98 -0.90 3.04 3.38 -0.99 -0.29 115.31 121.53 2aiv h LEU 120 Ca 0.21 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2aiv h LEU 120 Cb 0.37 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2aiv h LEU 120 CO 0.00 0.95 0.60 0.11 0.09 0.00 0.00 178.44 180.19 2aiv h LYS 121 N 0.99 1.18 -0.00 1.13 1.57 -0.53 -1.35 116.57 119.56 2aiv h LYS 121 Ca 0.21 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2aiv h LYS 121 Cb 0.36 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2aiv h LYS 121 CO 0.00 0.78 -0.31 0.36 -0.57 0.00 0.00 179.45 179.71 2aiv n LYS 122 N -4.46 0.03 -2.00 3.15 -0.00 -1.04 -4.77 118.16 109.07 2aiv n LYS 122 Ca 0.10 -0.01 -0.36 0.00 -0.00 0.00 0.00 58.31 58.04 2aiv n LYS 122 Cb 0.02 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 33.52 2aiv n LYS 122 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2aiv s ASN 123 N -2.98 5.16 -0.29 -5.58 2.47 -0.14 -4.85 114.94 108.73 2aiv s ASN 123 Ca 0.13 0.24 0.01 0.00 0.42 0.00 0.00 52.86 53.66 2aiv s ASN 123 Cb 0.18 -2.53 0.33 0.00 -1.45 0.00 0.00 41.25 37.78 2aiv s ASN 123 CO 0.63 -2.50 1.69 -0.81 -3.72 0.00 0.00 177.10 172.40 2aiv n PRO 124 N 9.12 1.79 -0.01 0.43 -0.04 -1.26 -3.51 135.00 141.51 2aiv n PRO 124 Ca 0.25 -1.74 0.04 0.00 -0.04 0.00 0.00 63.50 62.01 2aiv n PRO 124 Cb 0.51 -1.68 -0.09 0.00 -0.04 0.00 0.00 33.50 32.21 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 -0.22 2.44 -4.08 3.54 3.02 -1.26 -5.03 115.26 113.67 2aiv n ASN 125 Ca 0.34 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.82 2aiv n ASN 125 Cb 0.96 1.38 -0.10 0.00 -0.61 0.00 0.00 39.78 41.41 2aiv n ASN 125 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2aiv s SER 126 N -3.47 0.47 -0.23 6.41 0.15 -1.23 -4.99 113.70 110.82 2aiv s SER 126 Ca -0.04 -0.97 -0.10 0.00 0.70 0.00 0.00 55.95 55.53 2aiv s SER 126 Cb 0.06 0.20 -0.05 0.00 -1.71 0.00 0.00 66.02 64.52 2aiv s SER 126 CO 0.46 -0.59 0.16 -0.75 1.20 0.00 0.00 173.24 173.72 2aiv s LYS 127 N -3.82 4.10 -0.25 5.44 2.47 -1.20 -4.92 119.74 121.55 2aiv s LYS 127 Ca 0.06 -0.25 -0.21 0.00 -1.56 0.00 0.00 55.97 54.01 2aiv s LYS 127 Cb 0.07 -3.52 -0.02 0.00 -1.46 0.00 0.00 37.83 32.91 2aiv s LYS 127 CO -0.10 0.11 0.65 0.12 0.16 0.00 0.00 175.35 176.29 2aiv s PHE 128 N 0.92 3.28 -0.00 4.03 2.19 -1.26 -2.10 117.98 125.04 2aiv s PHE 128 Ca 0.08 0.84 -0.00 0.00 0.33 0.00 0.00 56.93 58.18 2aiv s PHE 128 Cb -0.13 -2.86 -0.00 0.00 -1.31 0.00 0.00 43.02 38.72 2aiv s PHE 128 CO 0.03 -0.33 -0.00 0.93 1.83 0.00 0.00 175.22 177.68 2aiv h GLU 129 N 7.88 0.00 -1.64 10.12 5.08 -1.85 -3.48 114.58 130.69 2aiv h GLU 129 Ca -0.26 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.16 2aiv h GLU 129 Cb 1.12 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.11 2aiv h GLU 129 CO 0.78 0.00 0.38 -1.54 -1.00 0.00 0.00 179.01 177.63 2aiv s SER 130 N -3.32 -0.53 -0.07 1.42 1.04 -1.14 -5.07 113.70 106.04 2aiv s SER 130 Ca -0.00 0.94 0.06 0.00 0.48 0.00 0.00 55.95 57.42 2aiv s SER 130 Cb 0.00 1.05 -0.01 0.00 0.10 0.00 0.00 66.02 67.16 2aiv s SER 130 CO 0.00 -0.16 -0.25 -0.47 0.98 0.00 0.00 173.24 173.35 2aiv s TYR 131 N 0.68 2.47 -0.23 5.02 6.14 -1.26 -3.22 117.35 126.95 2aiv s TYR 131 Ca -0.02 -0.80 -0.05 0.00 0.64 0.00 0.00 57.07 56.84 2aiv s TYR 131 Cb -0.05 -1.63 -0.01 0.00 0.42 0.00 0.00 41.96 40.69 2aiv s TYR 131 CO -0.09 -0.27 -0.00 -0.51 0.64 0.00 0.00 175.55 175.32 2aiv s ASP 132 N -0.04 4.58 0.16 4.32 -0.00 -1.08 -4.99 116.67 119.62 2aiv s ASP 132 Ca -0.07 -0.35 -0.10 0.00 -0.00 0.00 0.00 52.55 52.04 2aiv s ASP 132 Cb -0.15 -1.80 0.01 0.00 -0.00 0.00 0.00 42.92 40.99 2aiv s ASP 132 CO 0.05 -0.03 1.54 0.00 -0.00 0.00 0.00 175.17 176.73 2aiv h ALA 133 N 8.15 0.68 -0.60 5.23 0.00 -1.93 0.90 119.26 131.69 2aiv h ALA 133 Ca -0.40 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.12 2aiv h ALA 133 Cb 1.16 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2aiv h ALA 133 CO 0.60 0.67 0.37 -0.44 0.00 0.00 0.00 179.25 180.45 2aiv h ASP 134 N 0.82 0.61 0.22 0.00 3.32 -1.94 -3.08 116.42 116.36 2aiv h ASP 134 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2aiv h ASP 134 Cb 0.85 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2aiv h ASP 134 CO 0.07 0.43 -1.47 -1.20 -1.72 0.00 0.00 179.24 175.35 2aiv n SER 135 N -4.73 0.43 0.00 6.45 7.64 -1.21 -4.96 113.62 117.24 2aiv n SER 135 Ca 0.05 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2aiv n SER 135 Cb 0.08 1.35 0.00 0.00 -1.01 0.00 0.00 64.21 64.63 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 1.32 0.51 3.71 0.23 0.00 0.31 -4.96 105.19 106.32 2aiv n GLY 136 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2aiv n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aiv s THR 137 N -2.52 3.67 -0.18 2.61 2.01 -1.20 -4.55 115.64 115.49 2aiv s THR 137 Ca 0.00 1.21 -0.00 0.00 0.31 0.00 0.00 61.69 63.20 2aiv s THR 137 Cb 0.00 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.74 2aiv s THR 137 CO 0.00 0.10 -0.15 -0.47 -0.69 0.00 0.00 174.62 173.40 2aiv s TYR 138 N 1.05 2.82 -0.17 4.92 6.14 -1.25 -2.65 117.35 128.20 2aiv s TYR 138 Ca 0.61 -1.31 0.01 0.00 0.64 0.00 0.00 57.07 57.03 2aiv s TYR 138 Cb -0.33 -1.95 0.02 0.00 0.42 0.00 0.00 41.96 40.12 2aiv s TYR 138 CO 0.30 -0.65 -0.20 0.08 0.64 0.00 0.00 175.55 175.72 2aiv s VAL 139 N 1.19 2.04 0.02 3.14 1.01 -1.20 -3.79 120.40 122.80 2aiv s VAL 139 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.07 2aiv s VAL 139 Cb -0.14 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 2aiv s VAL 139 CO -0.07 0.54 -0.03 0.72 0.00 0.00 0.00 175.10 176.26 2aiv s PHE 140 N 1.23 0.25 -0.15 5.22 -0.71 -1.21 -2.46 117.98 120.15 2aiv s PHE 140 Ca 0.03 -0.36 0.02 0.00 -1.04 0.00 0.00 56.93 55.59 2aiv s PHE 140 Cb -0.13 -0.17 0.01 0.00 -1.21 0.00 0.00 43.02 41.52 2aiv s PHE 140 CO -0.11 -0.12 -0.21 0.42 -1.34 0.00 0.00 175.22 173.85 2aiv s ILE 141 N -0.98 2.08 -1.10 -4.49 1.01 -0.89 -2.98 121.20 113.84 2aiv s ILE 141 Ca -0.10 -0.97 -0.20 0.00 0.00 0.00 0.00 60.65 59.38 2aiv s ILE 141 Cb -0.07 -1.84 -0.07 0.00 0.01 0.00 0.00 42.46 40.50 2aiv s ILE 141 CO -0.01 0.55 1.94 0.52 0.00 0.00 0.00 174.94 177.94 2aiv n VAL 142 N 4.15 2.45 -1.45 2.92 0.31 -1.23 -3.22 118.33 122.26 2aiv n VAL 142 Ca -0.20 -2.37 -0.31 0.00 -0.01 0.00 0.00 64.34 61.45 2aiv n VAL 142 Cb 0.51 -2.31 0.07 0.00 -0.91 0.00 0.00 33.84 31.20 2aiv n VAL 142 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2aiv s ASN 143 N 5.14 4.98 -0.96 4.52 0.01 -1.26 -3.42 114.94 123.96 2aiv s ASN 143 Ca 0.59 1.67 -0.00 0.00 -0.71 0.00 0.00 52.86 54.41 2aiv s ASN 143 Cb 0.07 -2.47 0.00 0.00 0.41 0.00 0.00 41.25 39.26 2aiv s ASN 143 CO 0.09 -1.71 0.80 1.57 -1.51 0.00 0.00 177.10 176.34 2aiv n HIS 144 N -3.30 -1.74 0.31 2.20 -0.00 -1.26 -4.87 115.22 106.55 2aiv n HIS 144 Ca 0.08 0.75 0.18 0.00 0.46 0.00 0.00 57.72 59.19 2aiv n HIS 144 Cb 0.53 -4.46 1.03 0.00 -0.12 0.00 0.00 29.99 26.97 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 0.72 1.34 -3.21 1.57 0.00 -1.93 -3.47 119.26 114.27 2aiv h ALA 145 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2aiv h ALA 145 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2aiv h ALA 145 CO 0.40 -0.03 -0.14 0.00 0.00 0.00 0.00 179.25 179.48 2aiv n ALA 146 N -2.22 -3.07 -2.12 0.00 0.00 -1.26 -4.91 120.51 106.94 2aiv n ALA 146 Ca -0.03 0.17 -0.07 0.00 0.00 0.00 0.00 53.44 53.51 2aiv n ALA 146 Cb 0.10 -0.33 -0.10 0.00 0.00 0.00 0.00 19.45 19.12 2aiv n ALA 146 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2aiv s GLU 147 N -0.61 0.62 0.00 0.00 -1.05 -1.26 -4.72 118.70 111.67 2aiv s GLU 147 Ca -0.02 -1.21 0.32 0.00 -0.15 0.00 0.00 54.97 53.91 2aiv s GLU 147 Cb 0.00 0.18 1.88 0.00 -0.44 0.00 0.00 34.13 35.76 2aiv s GLU 147 CO 0.08 -0.10 2.21 1.04 0.95 0.00 0.00 175.26 179.44 2aiv n GLN 148 N 0.14 1.02 -0.51 -4.83 6.02 0.43 -5.05 117.38 114.60 2aiv n GLN 148 Ca -0.14 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 2aiv n GLN 148 Cb 0.61 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.37 2aiv n GLN 148 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46