#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c8a n LYS 2 N 0.00 -0.44 -2.63 1.20 4.01 -1.26 -5.03 118.16 114.01 1c8a n LYS 2 Ca 0.00 -2.44 -0.41 0.00 -0.51 0.00 0.00 58.31 54.95 1c8a n LYS 2 Cb 0.00 -0.85 -0.04 0.00 -0.51 0.00 0.00 35.03 33.63 1c8a n LYS 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1c8a s ALA 3 N -3.41 3.29 0.16 7.82 0.00 -1.26 -4.61 121.76 123.73 1c8a s ALA 3 Ca 0.67 0.67 0.03 0.00 0.00 0.00 0.00 51.96 53.33 1c8a s ALA 3 Cb -0.03 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1c8a s ALA 3 CO 0.45 -0.16 0.28 0.45 0.00 0.00 0.00 175.76 176.78 1c8a s SER 4 N 0.26 6.30 -0.70 0.00 0.15 0.44 -3.70 113.70 116.46 1c8a s SER 4 Ca 0.50 0.15 -0.27 0.00 0.70 0.00 0.00 55.95 57.03 1c8a s SER 4 Cb -0.25 -1.89 0.03 0.00 -1.71 0.00 0.00 66.02 62.19 1c8a s SER 4 CO 0.31 0.04 1.30 -0.69 1.20 0.00 0.00 173.24 175.40 1c8a s VAL 5 N -1.76 3.75 -0.17 4.45 1.01 -0.54 -1.91 120.40 125.24 1c8a s VAL 5 Ca 0.34 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1c8a s VAL 5 Cb -0.11 -4.82 0.00 0.00 0.00 0.00 0.00 36.38 31.46 1c8a s VAL 5 CO 0.28 -1.70 -0.16 -0.69 0.00 0.00 0.00 175.10 172.84 1c8a s VAL 6 N 5.79 2.56 0.24 2.92 1.01 0.37 -0.33 120.40 132.96 1c8a s VAL 6 Ca 0.39 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 1c8a s VAL 6 Cb -0.08 -2.09 -0.11 0.00 0.00 0.00 0.00 36.38 34.10 1c8a s VAL 6 CO 0.17 0.51 1.63 0.00 0.00 0.00 0.00 175.10 177.42 1c8a s ALA 7 N 1.01 3.82 -0.09 5.51 0.00 0.82 -2.04 121.76 130.78 1c8a s ALA 7 Ca -0.02 1.54 -0.21 0.00 0.00 0.00 0.00 51.96 53.27 1c8a s ALA 7 Cb -0.15 -3.66 -0.28 0.00 0.00 0.00 0.00 23.12 19.03 1c8a s ALA 7 CO -0.04 -0.92 0.71 -0.97 0.00 0.00 0.00 175.76 174.55 1c8a h ASN 8 N 5.84 0.32 -1.86 0.00 -0.73 -1.48 0.14 115.58 117.81 1c8a h ASN 8 Ca -0.45 -0.89 -0.48 0.00 1.87 0.00 0.00 56.30 56.35 1c8a h ASN 8 Cb 1.21 -0.10 0.08 0.00 0.27 0.00 0.00 38.32 39.78 1c8a h ASN 8 CO 0.87 1.40 0.10 0.00 -0.37 0.00 0.00 177.43 179.42 1c8a s GLN 9 N -2.40 1.61 -0.05 6.67 -2.07 -1.26 -2.88 119.66 119.29 1c8a s GLN 9 Ca -0.18 -1.26 -0.19 0.00 -1.82 0.00 0.00 55.36 51.91 1c8a s GLN 9 Cb 0.02 -2.35 -0.05 0.00 -1.09 0.00 0.00 33.01 29.53 1c8a s GLN 9 CO 0.77 -1.49 0.54 -1.17 -1.32 0.00 0.00 175.29 172.61 1c8a s LEU 10 N -5.14 4.37 -0.03 2.60 0.20 -1.26 -4.34 118.68 115.09 1c8a s LEU 10 Ca 0.67 1.02 0.02 0.00 0.69 0.00 0.00 54.13 56.53 1c8a s LEU 10 Cb -0.04 -2.81 -0.03 0.00 -0.43 0.00 0.00 46.19 42.87 1c8a s LEU 10 CO 0.45 0.08 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.89 1c8a s ILE 11 N 0.04 3.71 0.00 6.68 -1.09 0.51 -4.96 121.20 126.09 1c8a s ILE 11 Ca 0.29 -0.63 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 1c8a s ILE 11 Cb -0.17 -2.57 0.00 0.00 -1.58 0.00 0.00 42.46 38.14 1c8a s ILE 11 CO 0.14 0.48 0.00 -0.81 -1.23 0.00 0.00 174.94 173.53 1c8a n PRO 12 N 1.84 0.46 -3.21 2.79 -0.04 -1.26 0.66 135.00 136.23 1c8a n PRO 12 Ca -0.16 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.94 1c8a n PRO 12 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 1c8a n PRO 12 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1c8a s ILE 13 N -0.47 4.69 -0.91 0.52 1.01 -1.26 -4.26 121.20 120.53 1c8a s ILE 13 Ca 0.00 1.09 -0.07 0.00 0.00 0.00 0.00 60.65 61.66 1c8a s ILE 13 Cb 0.00 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.66 1c8a s ILE 13 CO 0.00 0.22 0.70 0.59 0.00 0.00 0.00 174.94 176.46 1c8a n ASN 14 N 0.76 -5.98 -3.85 3.58 3.02 -0.01 -4.91 115.26 107.88 1c8a n ASN 14 Ca -0.04 -0.70 -0.20 0.00 -0.03 0.00 0.00 54.58 53.62 1c8a n ASN 14 Cb 0.51 -3.45 -0.17 0.00 -0.61 0.00 0.00 39.78 36.07 1c8a n ASN 14 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1c8a s THR 15 N -3.16 0.42 0.00 3.41 2.01 -1.26 -4.82 115.64 112.25 1c8a s THR 15 Ca 0.17 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 1c8a s THR 15 Cb -0.06 -0.50 -0.06 0.00 0.01 0.00 0.00 72.50 71.90 1c8a s THR 15 CO 0.84 0.22 1.43 0.00 -0.69 0.00 0.00 174.62 176.41 1c8a s ALA 16 N 1.20 3.59 0.66 7.40 0.00 -1.22 -3.98 121.76 129.41 1c8a s ALA 16 Ca -0.07 0.91 -0.14 0.00 0.00 0.00 0.00 51.96 52.66 1c8a s ALA 16 Cb -0.14 -3.61 -0.00 0.00 0.00 0.00 0.00 23.12 19.37 1c8a s ALA 16 CO -0.02 -0.95 1.08 -0.51 0.00 0.00 0.00 175.76 175.37 1c8a s LEU 17 N 2.47 3.33 0.52 0.00 1.43 -1.11 -4.60 118.68 120.71 1c8a s LEU 17 Ca 0.65 1.86 0.01 0.00 -1.03 0.00 0.00 54.13 55.61 1c8a s LEU 17 Cb -0.32 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.36 1c8a s LEU 17 CO 0.27 -1.52 0.00 0.42 0.23 0.00 0.00 176.35 175.75 1c8a s THR 18 N -2.57 1.09 0.16 5.49 -4.23 -1.26 0.30 115.64 114.62 1c8a s THR 18 Ca 0.64 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.03 1c8a s THR 18 Cb -0.18 -2.11 0.04 0.00 1.34 0.00 0.00 72.50 71.60 1c8a s THR 18 CO 0.44 0.00 1.66 -0.07 -0.54 0.00 0.00 174.62 176.11 1c8a h LEU 19 N 1.33 0.85 -0.82 4.79 3.38 -1.98 -0.27 115.31 122.59 1c8a h LEU 19 Ca -0.44 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.21 1c8a h LEU 19 Cb 1.32 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1c8a h LEU 19 CO 0.73 0.88 0.05 0.40 0.09 0.00 0.00 178.44 180.60 1c8a h ILE 20 N 0.78 1.25 -0.02 1.22 5.03 -2.04 -2.85 117.51 120.89 1c8a h ILE 20 Ca 0.17 -1.01 -0.17 0.00 -0.12 0.00 0.00 64.86 63.73 1c8a h ILE 20 Cb 0.38 0.75 -0.01 0.00 -3.03 0.00 0.00 36.82 34.91 1c8a h ILE 20 CO 0.01 0.37 -0.75 0.24 -0.68 0.00 0.00 178.15 177.34 1c8a h MET 21 N 0.88 0.14 -5.96 2.37 2.86 -1.91 -3.42 114.93 109.89 1c8a h MET 21 Ca 0.17 -0.13 -0.61 0.00 -2.06 0.00 0.00 59.70 57.08 1c8a h MET 21 Cb 0.44 0.03 -0.11 0.00 0.06 0.00 0.00 31.60 32.02 1c8a h MET 21 CO 0.02 0.82 0.48 1.41 1.06 0.00 0.00 176.91 180.70 1c8a s MET 22 N -3.42 3.66 -0.15 1.72 0.00 -0.13 -1.31 119.30 119.68 1c8a s MET 22 Ca -0.02 0.26 -0.02 0.00 0.00 0.00 0.00 55.69 55.91 1c8a s MET 22 Cb 0.11 -3.86 -0.02 0.00 0.00 0.00 0.00 34.83 31.06 1c8a s MET 22 CO 0.80 -1.02 -0.08 0.15 0.00 0.00 0.00 175.02 174.88 1c8a s LYS 23 N 3.40 3.53 -1.23 4.11 1.02 -0.87 -4.85 119.74 124.85 1c8a s LYS 23 Ca 0.34 -0.60 -0.12 0.00 0.02 0.00 0.00 55.97 55.61 1c8a s LYS 23 Cb -0.12 -2.80 0.17 0.00 -0.52 0.00 0.00 37.83 34.57 1c8a s LYS 23 CO 0.21 0.21 1.58 0.00 -0.92 0.00 0.00 175.35 176.43 1c8a n ALA 24 N 3.60 4.38 -2.81 5.17 0.00 -1.26 -0.48 120.51 129.10 1c8a n ALA 24 Ca -0.18 -4.28 -0.32 0.00 0.00 0.00 0.00 53.44 48.66 1c8a n ALA 24 Cb 0.52 -3.02 -0.06 0.00 0.00 0.00 0.00 19.45 16.89 1c8a n ALA 24 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1c8a s GLU 25 N 1.13 3.12 -1.13 0.00 2.12 -0.80 -4.66 118.70 118.48 1c8a s GLU 25 Ca 0.42 -0.50 -0.18 0.00 0.36 0.00 0.00 54.97 55.07 1c8a s GLU 25 Cb 0.01 -2.88 0.11 0.00 0.26 0.00 0.00 34.13 31.63 1c8a s GLU 25 CO 0.00 0.63 1.44 0.08 -0.54 0.00 0.00 175.26 176.88 1c8a s VAL 26 N -1.28 4.52 0.10 3.70 1.01 -1.26 -0.42 120.40 126.78 1c8a s VAL 26 Ca 0.26 -1.85 -0.02 0.00 0.00 0.00 0.00 61.98 60.37 1c8a s VAL 26 Cb -0.12 -4.98 -0.04 0.00 0.00 0.00 0.00 36.38 31.24 1c8a s VAL 26 CO 0.17 -1.76 0.04 0.68 0.00 0.00 0.00 175.10 174.24 1c8a s VAL 27 N 3.14 0.15 0.31 2.92 -7.23 -1.26 -4.94 120.40 113.49 1c8a s VAL 27 Ca 0.44 -1.83 0.06 0.00 -1.81 0.00 0.00 61.98 58.84 1c8a s VAL 27 Cb -0.01 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 1c8a s VAL 27 CO -0.02 -0.66 0.44 0.42 -0.31 0.00 0.00 175.10 174.97 1c8a s THR 28 N -3.99 4.52 0.51 5.32 -4.23 -1.26 -4.20 115.64 112.30 1c8a s THR 28 Ca 0.17 -0.96 -0.19 0.00 -1.18 0.00 0.00 61.69 59.53 1c8a s THR 28 Cb 0.07 -3.58 -0.07 0.00 1.34 0.00 0.00 72.50 70.26 1c8a s THR 28 CO -0.03 -0.24 1.03 -2.16 -0.54 0.00 0.00 174.62 172.68 1c8a s PRO 29 N -4.13 3.74 -0.96 3.99 0.04 -1.26 -4.93 135.00 131.49 1c8a s PRO 29 Ca 0.41 1.25 -0.24 0.00 0.04 0.00 0.00 61.00 62.47 1c8a s PRO 29 Cb -0.09 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1c8a s PRO 29 CO 0.31 -0.47 1.80 0.00 0.04 0.00 0.00 177.00 178.67 1c8a s MET 30 N -3.53 2.88 0.00 4.56 0.23 -1.26 -4.87 119.30 117.32 1c8a s MET 30 Ca 0.65 -0.60 0.00 0.00 -1.03 0.00 0.00 55.69 54.71 1c8a s MET 30 Cb -0.15 -5.17 0.00 0.00 -1.53 0.00 0.00 34.83 27.99 1c8a s MET 30 CO 0.25 -3.04 0.00 0.41 -2.03 0.00 0.00 175.02 170.61 1c8a n GLY 31 N 6.79 1.78 3.47 3.16 0.00 -1.26 -4.96 105.19 114.18 1c8a n GLY 31 Ca 0.38 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 1c8a n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c8a s ILE 32 N 0.10 3.64 0.88 -0.61 1.01 -0.54 -4.98 121.20 120.70 1c8a s ILE 32 Ca 0.00 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 1c8a s ILE 32 Cb 0.00 -2.57 0.22 0.00 0.01 0.00 0.00 42.46 40.12 1c8a s ILE 32 CO 0.00 0.51 0.85 -0.81 0.00 0.00 0.00 174.94 175.49 1c8a n PRO 33 N 3.39 -2.28 -0.66 2.79 -0.04 -1.26 -1.46 135.00 135.47 1c8a n PRO 33 Ca -0.18 -1.34 -0.03 0.00 -0.04 0.00 0.00 63.50 61.91 1c8a n PRO 33 Cb 0.53 -1.18 0.21 0.00 -0.04 0.00 0.00 33.50 33.02 1c8a n PRO 33 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c8a n ALA 34 N -4.24 3.82 0.01 0.55 0.00 -1.24 -4.37 120.51 115.03 1c8a n ALA 34 Ca -0.15 -1.48 -0.13 0.00 0.00 0.00 0.00 53.44 51.68 1c8a n ALA 34 Cb 0.44 -1.16 -0.09 0.00 0.00 0.00 0.00 19.45 18.63 1c8a n ALA 34 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1c8a h GLU 35 N 1.88 -0.02 -1.68 0.00 4.81 -1.92 -3.12 114.58 114.53 1c8a h GLU 35 Ca 0.15 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.77 1c8a h GLU 35 Cb 1.74 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.90 1c8a h GLU 35 CO 0.47 0.33 0.75 0.39 -0.73 0.00 0.00 179.01 180.22 1c8a n GLU 36 N -4.93 2.50 -0.18 1.92 -0.58 -1.26 -4.71 120.64 113.39 1c8a n GLU 36 Ca -0.08 -2.86 -0.01 0.00 -0.42 0.00 0.00 57.16 53.79 1c8a n GLU 36 Cb 0.19 -2.14 0.09 0.00 -0.57 0.00 0.00 31.44 29.01 1c8a n GLU 36 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1c8a h ILE 37 N 1.60 0.71 0.00 -3.67 1.08 -1.84 0.40 117.51 115.80 1c8a h ILE 37 Ca 0.49 -0.10 -0.07 0.00 -0.39 0.00 0.00 64.86 64.79 1c8a h ILE 37 Cb 0.53 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 1c8a h ILE 37 CO 1.23 0.05 -0.33 1.55 -0.69 0.00 0.00 178.15 179.96 1c8a h PRO 38 N 0.29 0.00 0.17 2.37 0.13 -1.90 -0.69 132.00 132.38 1c8a h PRO 38 Ca 0.28 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.14 1c8a h PRO 38 Cb 0.38 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.53 1c8a h PRO 38 CO -0.34 0.33 -1.30 -0.91 -0.23 0.00 0.00 178.00 175.55 1c8a h ASN 39 N 0.00 0.58 0.18 1.44 2.35 -1.56 -3.34 115.58 115.22 1c8a h ASN 39 Ca -0.00 -0.92 -0.15 0.00 -0.55 0.00 0.00 56.30 54.68 1c8a h ASN 39 Cb 0.65 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1c8a h ASN 39 CO 0.04 1.60 -0.56 -0.07 -1.65 0.00 0.00 177.43 176.80 1c8a h LEU 40 N -0.14 0.44 -9.77 1.61 4.07 -0.23 -3.44 115.31 107.85 1c8a h LEU 40 Ca -0.25 -0.24 -0.57 0.00 0.08 0.00 0.00 57.88 56.90 1c8a h LEU 40 Cb 1.89 -0.13 0.14 0.00 1.08 0.00 0.00 40.66 43.64 1c8a h LEU 40 CO 0.17 0.91 0.29 0.52 -1.08 0.00 0.00 178.44 179.24 1c8a n VAL 41 N -3.93 2.87 -1.08 1.22 0.31 -0.27 -1.79 118.33 115.66 1c8a n VAL 41 Ca -0.03 -0.50 -0.03 0.00 -0.01 0.00 0.00 64.34 63.77 1c8a n VAL 41 Cb 0.60 -1.32 -0.01 0.00 -0.91 0.00 0.00 33.84 32.20 1c8a n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c8a n GLY 42 N 1.06 0.54 3.80 2.92 0.00 0.15 -4.80 105.19 108.86 1c8a n GLY 42 Ca 0.10 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1c8a n GLY 42 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1c8a s MET 43 N -1.46 3.70 -0.20 1.61 0.00 -0.74 -4.24 119.30 117.97 1c8a s MET 43 Ca 0.00 1.34 -0.10 0.00 0.00 0.00 0.00 55.69 56.93 1c8a s MET 43 Cb 0.00 -2.08 -0.05 0.00 0.00 0.00 0.00 34.83 32.70 1c8a s MET 43 CO 0.00 -0.52 0.13 -0.65 0.00 0.00 0.00 175.02 173.98 1c8a s GLN 44 N -3.40 4.19 0.50 3.16 -0.21 -1.26 -2.73 119.66 119.92 1c8a s GLN 44 Ca 0.67 -0.22 -0.07 0.00 0.02 0.00 0.00 55.36 55.76 1c8a s GLN 44 Cb -0.17 -3.42 -0.04 0.00 1.00 0.00 0.00 33.01 30.39 1c8a s GLN 44 CO 0.23 0.30 0.84 0.14 -2.12 0.00 0.00 175.29 174.68 1c8a s VAL 45 N 0.36 4.86 -0.46 1.09 -7.23 -1.26 -4.57 120.40 113.19 1c8a s VAL 45 Ca 0.08 0.38 0.23 0.00 -1.81 0.00 0.00 61.98 60.86 1c8a s VAL 45 Cb -0.11 -3.86 0.10 0.00 0.56 0.00 0.00 36.38 33.07 1c8a s VAL 45 CO -0.02 -0.89 1.30 0.78 -0.31 0.00 0.00 175.10 175.97 1c8a h ASN 46 N 0.19 0.00 -2.43 4.85 4.21 -1.90 0.03 115.58 120.52 1c8a h ASN 46 Ca -0.46 -0.08 -0.10 0.00 1.21 0.00 0.00 56.30 56.87 1c8a h ASN 46 Cb 1.20 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.38 1c8a h ASN 46 CO 0.62 0.04 -0.07 -2.11 -1.29 0.00 0.00 177.43 174.62 1c8a n ARG 47 N -2.50 0.20 -2.54 0.81 1.85 -1.26 -4.71 116.66 108.50 1c8a n ARG 47 Ca 0.02 -0.90 -0.41 0.00 -1.00 0.00 0.00 57.85 55.57 1c8a n ARG 47 Cb 0.50 0.83 -0.04 0.00 -1.05 0.00 0.00 32.46 32.70 1c8a n ARG 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1c8a s ALA 48 N -2.04 3.34 -0.20 2.89 0.00 -1.26 -4.03 121.76 120.46 1c8a s ALA 48 Ca 0.10 0.77 -0.06 0.00 0.00 0.00 0.00 51.96 52.77 1c8a s ALA 48 Cb -0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1c8a s ALA 48 CO 0.07 -0.23 0.04 0.08 0.00 0.00 0.00 175.76 175.71 1c8a s VAL 49 N 0.13 4.39 0.35 0.00 1.01 0.21 -4.97 120.40 121.52 1c8a s VAL 49 Ca 0.51 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 62.27 1c8a s VAL 49 Cb -0.28 -2.99 0.09 0.00 0.00 0.00 0.00 36.38 33.19 1c8a s VAL 49 CO 0.33 0.43 0.33 -0.81 0.00 0.00 0.00 175.10 175.38 1c8a n PRO 50 N 4.01 -1.48 -2.90 2.72 -0.04 -1.26 -0.36 135.00 135.68 1c8a n PRO 50 Ca -0.17 -0.53 -0.39 0.00 -0.04 0.00 0.00 63.50 62.37 1c8a n PRO 50 Cb 0.52 -0.47 -0.06 0.00 -0.04 0.00 0.00 33.50 33.45 1c8a n PRO 50 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1c8a s LEU 51 N 0.00 4.60 -0.88 1.53 1.02 -1.26 -3.87 118.68 119.82 1c8a s LEU 51 Ca 0.21 1.75 -0.03 0.00 0.02 0.00 0.00 54.13 56.08 1c8a s LEU 51 Cb -0.02 -3.44 0.00 0.00 0.02 0.00 0.00 46.19 42.76 1c8a s LEU 51 CO 0.16 0.18 0.35 0.61 0.02 0.00 0.00 176.35 177.67 1c8a n GLY 52 N 1.49 0.01 3.67 -3.19 0.00 0.47 -4.99 105.19 102.65 1c8a n GLY 52 Ca -0.04 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 1c8a n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c8a s THR 53 N -2.90 5.02 0.77 2.61 2.01 -0.97 -4.77 115.64 117.41 1c8a s THR 53 Ca 0.18 1.26 -0.11 0.00 0.31 0.00 0.00 61.69 63.33 1c8a s THR 53 Cb -0.08 -3.97 0.06 0.00 0.01 0.00 0.00 72.50 68.51 1c8a s THR 53 CO 0.22 0.13 1.09 0.28 -0.69 0.00 0.00 174.62 175.65 1c8a s THR 54 N 1.69 3.37 -0.44 -0.82 -1.32 -1.26 -0.13 115.64 116.74 1c8a s THR 54 Ca 0.31 0.45 -0.28 0.00 -1.21 0.00 0.00 61.69 60.95 1c8a s THR 54 Cb -0.16 -2.96 -0.00 0.00 -1.51 0.00 0.00 72.50 67.86 1c8a s THR 54 CO 0.12 -0.58 1.63 -0.22 -2.21 0.00 0.00 174.62 173.35 1c8a s LEU 55 N -5.89 3.48 -0.17 9.08 1.98 0.55 -4.82 118.68 122.89 1c8a s LEU 55 Ca 0.61 0.84 -0.07 0.00 -2.89 0.00 0.00 54.13 52.62 1c8a s LEU 55 Cb -0.17 -3.29 -0.04 0.00 0.66 0.00 0.00 46.19 43.35 1c8a s LEU 55 CO 0.56 -1.73 0.07 -0.04 -1.89 0.00 0.00 176.35 173.32 1c8a s MET 56 N 5.64 3.86 0.35 1.98 -1.94 -1.26 -1.47 119.30 126.46 1c8a s MET 56 Ca 0.68 -0.32 0.16 0.00 -1.71 0.00 0.00 55.69 54.50 1c8a s MET 56 Cb -0.16 -3.19 0.64 0.00 2.01 0.00 0.00 34.83 34.13 1c8a s MET 56 CO 0.30 0.36 1.73 -1.00 -0.01 0.00 0.00 175.02 176.41 1c8a h PRO 57 N 6.38 0.00 0.00 2.03 0.13 -1.94 -2.80 132.00 135.81 1c8a h PRO 57 Ca -0.40 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.60 1c8a h PRO 57 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1c8a h PRO 57 CO 0.68 0.43 -0.63 0.22 -0.23 0.00 0.00 178.00 178.47 1c8a h ASP 58 N 0.00 0.00 0.83 1.44 3.58 -1.95 -3.20 116.42 117.12 1c8a h ASP 58 Ca -0.00 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.21 1c8a h ASP 58 Cb 0.88 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.90 1c8a h ASP 58 CO 0.06 0.63 -1.20 0.24 -2.88 0.00 0.00 179.24 176.09 1c8a h MET 59 N 0.00 0.04 -5.57 0.28 2.86 -1.95 -3.45 114.93 107.13 1c8a h MET 59 Ca -0.01 -0.06 -0.65 0.00 -2.06 0.00 0.00 59.70 56.92 1c8a h MET 59 Cb 1.13 0.02 -0.11 0.00 0.06 0.00 0.00 31.60 32.71 1c8a h MET 59 CO 0.08 0.92 -0.52 0.08 1.06 0.00 0.00 176.91 178.53 1c8a s VAL 60 N -2.68 5.17 0.00 -2.22 1.01 -1.07 -2.90 120.40 117.72 1c8a s VAL 60 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1c8a s VAL 60 Cb 0.09 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1c8a s VAL 60 CO 0.83 0.56 0.00 0.29 0.00 0.00 0.00 175.10 176.78 1c8a n LYS 61 N 2.53 0.00 -3.03 2.72 4.76 -1.26 -4.58 118.16 119.30 1c8a n LYS 61 Ca -0.18 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 54.81 1c8a n LYS 61 Cb 0.54 -0.05 -0.01 0.00 -1.84 0.00 0.00 35.03 33.67 1c8a n LYS 61 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1c8a s ASN 62 N -1.44 6.90 0.08 4.39 2.47 -1.22 -4.83 114.94 121.29 1c8a s ASN 62 Ca 0.00 -2.67 -0.14 0.00 0.42 0.00 0.00 52.86 50.47 1c8a s ASN 62 Cb 0.00 -2.35 -0.19 0.00 -1.45 0.00 0.00 41.25 37.25 1c8a s ASN 62 CO 0.00 -0.79 1.24 0.10 -3.72 0.00 0.00 177.10 173.93 1c8a h TYR 63 N 7.81 1.04 -2.23 0.43 -0.00 -1.93 -3.48 116.97 118.61 1c8a h TYR 63 Ca 0.21 -0.51 0.14 0.00 0.00 0.00 0.00 58.73 58.57 1c8a h TYR 63 Cb 0.95 -0.14 -0.02 0.00 0.00 0.00 0.00 36.73 37.52 1c8a h TYR 63 CO 1.08 1.34 0.47 -0.85 -0.00 0.00 0.00 178.16 180.20 1c8a n GLU 64 N -3.92 0.42 -1.90 0.10 0.28 -1.26 -4.27 120.64 110.09 1c8a n GLU 64 Ca -0.09 -1.01 -0.40 0.00 -0.16 0.00 0.00 57.16 55.50 1c8a n GLU 64 Cb 0.80 1.39 -0.01 0.00 1.43 0.00 0.00 31.44 35.05 1c8a n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1c8a n ASP 65 N -1.06 7.47 0.14 -1.84 8.00 -1.26 -4.63 116.55 123.36 1c8a n ASP 65 Ca -0.01 -3.00 -0.01 0.00 0.71 0.00 0.00 54.79 52.48 1c8a n ASP 65 Cb 0.43 -1.44 0.17 0.00 -0.02 0.00 0.00 41.12 40.26 1c8a n ASP 65 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1c8a h GLY 66 N 6.50 0.01 -3.65 0.44 0.00 -1.96 -3.44 103.07 100.97 1c8a h GLY 66 Ca 0.68 -0.01 -0.50 0.00 0.00 0.00 0.00 47.33 47.49 1c8a h GLY 66 CO 1.59 0.01 0.48 -0.51 0.00 0.00 0.00 176.54 178.11 1c8a s THR 67 N -3.64 3.45 -0.02 4.70 -4.23 -1.26 -5.00 115.64 109.64 1c8a s THR 67 Ca -0.01 1.40 -0.01 0.00 -1.18 0.00 0.00 61.69 61.88 1c8a s THR 67 Cb 0.13 -3.87 -0.00 0.00 1.34 0.00 0.00 72.50 70.09 1c8a s THR 67 CO 0.76 0.29 -0.03 0.35 -0.54 0.00 0.00 174.62 175.46 1c8a n THR 68 N 0.96 0.21 -3.02 3.99 -2.24 -1.26 -4.92 114.28 108.00 1c8a n THR 68 Ca -0.00 0.46 -0.39 0.00 -2.27 0.00 0.00 64.05 61.84 1c8a n THR 68 Cb 0.45 -1.63 -0.06 0.00 -2.10 0.00 0.00 70.33 66.99 1c8a n THR 68 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1c8a s SER 69 N -3.83 7.29 0.00 3.42 0.01 -1.26 -5.05 113.70 114.28 1c8a s SER 69 Ca -0.02 1.53 0.00 0.00 1.31 0.00 0.00 55.95 58.77 1c8a s SER 69 Cb 0.00 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1c8a s SER 69 CO 0.03 0.15 0.00 -0.81 0.41 0.00 0.00 173.24 173.02 1c8a n PRO 70 N 2.03 0.00 0.00 12.44 -0.04 -1.26 -4.82 135.00 143.35 1c8a n PRO 70 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1c8a n PRO 70 Cb 0.49 -0.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 1c8a n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c8a n GLY 71 N 2.56 1.90 2.43 0.55 0.00 -1.26 -4.30 105.19 107.06 1c8a n GLY 71 Ca 0.00 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1c8a n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c8a n LEU 72 N 0.00 7.30 -4.59 0.99 4.77 -1.26 -4.93 117.00 119.28 1c8a n LEU 72 Ca 0.00 -4.39 -0.43 0.00 -0.03 0.00 0.00 56.01 51.16 1c8a n LEU 72 Cb 0.00 -1.34 -0.04 0.00 -2.33 0.00 0.00 43.42 39.71 1c8a n LEU 72 CO 0.00 1.91 0.75 -1.59 -1.33 0.00 0.00 177.39 177.13 1c8a s LYS 73 N -0.87 3.72 0.14 3.23 -2.85 -1.26 -4.12 119.74 117.73 1c8a s LYS 73 Ca 0.58 0.41 -0.01 0.00 -1.00 0.00 0.00 55.97 55.95 1c8a s LYS 73 Cb 0.27 -3.85 -0.04 0.00 -2.06 0.00 0.00 37.83 32.14 1c8a s LYS 73 CO -0.13 -1.05 0.32 -1.54 0.10 0.00 0.00 175.35 173.05 1c8a s SER 74 N 2.03 6.40 0.18 0.03 1.04 -0.41 -3.86 113.70 119.11 1c8a s SER 74 Ca 0.37 0.39 -0.31 0.00 0.48 0.00 0.00 55.95 56.89 1c8a s SER 74 Cb -0.11 -2.01 -0.09 0.00 0.10 0.00 0.00 66.02 63.91 1c8a s SER 74 CO 0.22 0.06 1.38 -0.69 0.98 0.00 0.00 173.24 175.18 1c8a s VAL 75 N -1.69 3.11 -0.02 5.02 1.01 -0.51 -2.02 120.40 125.30 1c8a s VAL 75 Ca 0.38 0.87 0.04 0.00 0.00 0.00 0.00 61.98 63.26 1c8a s VAL 75 Cb -0.12 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1c8a s VAL 75 CO 0.27 0.11 -0.13 -0.69 0.00 0.00 0.00 175.10 174.66 1c8a s VAL 76 N 0.50 1.09 -0.86 2.92 1.01 -0.41 -0.79 120.40 123.85 1c8a s VAL 76 Ca 0.61 -0.56 -0.25 0.00 0.00 0.00 0.00 61.98 61.77 1c8a s VAL 76 Cb -0.38 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.10 1c8a s VAL 76 CO 0.36 0.32 1.40 0.00 0.00 0.00 0.00 175.10 177.17 1c8a s ALA 77 N -0.10 2.67 0.25 5.51 0.00 0.72 -0.05 121.76 130.76 1c8a s ALA 77 Ca 0.01 -1.72 -0.04 0.00 0.00 0.00 0.00 51.96 50.21 1c8a s ALA 77 Cb -0.08 -4.38 0.37 0.00 0.00 0.00 0.00 23.12 19.03 1c8a s ALA 77 CO 0.00 -3.50 1.86 -0.97 0.00 0.00 0.00 175.76 173.15 1c8a h ASN 78 N 10.17 0.90 -0.65 0.00 -0.73 -1.59 -1.40 115.58 122.28 1c8a h ASN 78 Ca -0.07 0.02 -0.58 0.00 1.87 0.00 0.00 56.30 57.54 1c8a h ASN 78 Cb 1.04 -0.17 -0.05 0.00 0.27 0.00 0.00 38.32 39.40 1c8a h ASN 78 CO 1.34 0.56 -0.33 -1.10 -0.37 0.00 0.00 177.43 177.54 1c8a s GLN 79 N -6.05 2.26 -0.07 6.67 -0.21 -1.26 -2.40 119.66 118.61 1c8a s GLN 79 Ca -0.12 -2.01 -0.25 0.00 0.02 0.00 0.00 55.36 53.00 1c8a s GLN 79 Cb 0.19 -2.08 -0.03 0.00 1.00 0.00 0.00 33.01 32.09 1c8a s GLN 79 CO 0.80 -0.56 0.78 -1.17 -2.12 0.00 0.00 175.29 173.02 1c8a s LEU 80 N -4.23 4.31 -0.11 2.90 0.20 -1.24 -4.18 118.68 116.33 1c8a s LEU 80 Ca 0.34 1.29 0.04 0.00 0.69 0.00 0.00 54.13 56.48 1c8a s LEU 80 Cb -0.02 -3.21 0.00 0.00 -0.43 0.00 0.00 46.19 42.54 1c8a s LEU 80 CO 0.21 -0.19 -0.23 -0.63 -0.29 0.00 0.00 176.35 175.22 1c8a s ILE 81 N 1.04 2.00 0.68 6.68 1.01 -0.74 -4.97 121.20 126.89 1c8a s ILE 81 Ca 0.41 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 59.96 1c8a s ILE 81 Cb -0.18 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.56 1c8a s ILE 81 CO 0.19 0.54 1.08 -2.16 0.00 0.00 0.00 174.94 174.60 1c8a s PRO 82 N 0.48 2.80 0.51 2.79 0.04 -1.26 -0.41 135.00 139.96 1c8a s PRO 82 Ca -0.16 1.18 -0.21 0.00 0.04 0.00 0.00 61.00 61.85 1c8a s PRO 82 Cb -0.17 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1c8a s PRO 82 CO 0.06 -1.22 0.99 -0.89 0.04 0.00 0.00 177.00 175.98 1c8a n ILE 83 N -2.81 3.03 -3.28 0.56 5.41 -1.26 -3.69 119.36 117.31 1c8a n ILE 83 Ca 0.09 -0.50 -0.10 0.00 1.00 0.00 0.00 62.75 63.24 1c8a n ILE 83 Cb 0.53 -1.18 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 1c8a n ILE 83 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1c8a n ASN 84 N -0.12 -6.85 -3.68 4.38 3.02 0.47 -4.96 115.26 107.52 1c8a n ASN 84 Ca 0.11 -0.28 -0.15 0.00 -0.03 0.00 0.00 54.58 54.23 1c8a n ASN 84 Cb 0.43 -4.10 -0.15 0.00 -0.61 0.00 0.00 39.78 35.36 1c8a n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1c8a s THR 85 N -2.89 -0.27 -0.80 3.41 2.01 -1.24 -4.83 115.64 111.03 1c8a s THR 85 Ca 0.04 0.31 -0.25 0.00 0.31 0.00 0.00 61.69 62.09 1c8a s THR 85 Cb -0.01 -0.33 -0.08 0.00 0.01 0.00 0.00 72.50 72.09 1c8a s THR 85 CO 0.80 0.13 2.14 0.00 -0.69 0.00 0.00 174.62 177.00 1c8a s ALA 86 N 2.16 1.37 0.05 7.40 0.00 -1.25 -3.51 121.76 127.97 1c8a s ALA 86 Ca 0.01 -1.04 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 1c8a s ALA 86 Cb -0.12 -4.52 -0.06 0.00 0.00 0.00 0.00 23.12 18.42 1c8a s ALA 86 CO -0.07 -5.08 0.43 -0.48 0.00 0.00 0.00 175.76 170.56 1c8a s LEU 87 N 11.84 4.40 0.00 0.00 2.34 -0.85 -4.69 118.68 131.72 1c8a s LEU 87 Ca 0.80 0.91 0.00 0.00 0.06 0.00 0.00 54.13 55.90 1c8a s LEU 87 Cb -0.10 -2.85 0.00 0.00 -0.56 0.00 0.00 46.19 42.68 1c8a s LEU 87 CO 0.07 0.23 0.00 0.35 -1.06 0.00 0.00 176.35 175.94 1c8a n THR 88 N 1.29 0.00 0.27 5.48 -2.24 -1.26 -0.43 114.28 117.39 1c8a n THR 88 Ca -0.10 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.86 1c8a n THR 88 Cb 0.52 -0.05 0.94 0.00 -2.10 0.00 0.00 70.33 69.64 1c8a n THR 88 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1c8a h LEU 89 N 0.00 0.00 0.14 3.22 -0.00 -1.95 -2.05 115.31 114.67 1c8a h LEU 89 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.89 1c8a h LEU 89 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 1c8a h LEU 89 CO 0.00 0.00 -0.24 0.58 -0.00 0.00 0.00 178.44 178.78 1c8a h VAL 90 N 0.00 0.48 0.00 0.15 2.07 -2.02 -2.85 116.25 114.08 1c8a h VAL 90 Ca 0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1c8a h VAL 90 Cb 0.36 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1c8a h VAL 90 CO -0.00 0.00 -0.63 0.24 0.02 0.00 0.00 177.57 177.20 1c8a h MET 91 N -0.45 0.00 -5.91 1.57 2.86 -1.89 -3.45 114.93 107.66 1c8a h MET 91 Ca 0.02 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.09 1c8a h MET 91 Cb 0.46 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.05 1c8a h MET 91 CO -0.12 0.10 0.20 -1.64 1.06 0.00 0.00 176.91 176.51 1c8a s MET 92 N -3.20 4.33 -0.33 1.72 1.00 -0.80 -1.77 119.30 120.26 1c8a s MET 92 Ca 0.02 0.87 0.03 0.00 0.00 0.00 0.00 55.69 56.62 1c8a s MET 92 Cb 0.08 -3.52 0.10 0.00 0.00 0.00 0.00 34.83 31.48 1c8a s MET 92 CO 0.74 -0.15 0.04 0.15 0.00 0.00 0.00 175.02 175.80 1c8a s LYS 93 N 1.55 1.47 -0.89 2.03 1.02 0.93 -4.71 119.74 121.13 1c8a s LYS 93 Ca 0.36 -1.76 -0.25 0.00 0.02 0.00 0.00 55.97 54.34 1c8a s LYS 93 Cb -0.17 -3.07 0.04 0.00 -0.52 0.00 0.00 37.83 34.11 1c8a s LYS 93 CO 0.14 -0.91 1.38 0.00 -0.92 0.00 0.00 175.35 175.04 1c8a s ALA 94 N 0.99 2.72 0.30 5.17 0.00 -1.26 -1.29 121.76 128.39 1c8a s ALA 94 Ca 0.09 -1.86 0.08 0.00 0.00 0.00 0.00 51.96 50.27 1c8a s ALA 94 Cb -0.19 -4.41 -0.06 0.00 0.00 0.00 0.00 23.12 18.46 1c8a s ALA 94 CO -0.09 -3.48 -0.07 -1.83 0.00 0.00 0.00 175.76 170.29 1c8a s GLU 95 N 5.33 1.63 -0.68 0.00 -1.05 -0.86 -4.72 118.70 118.36 1c8a s GLU 95 Ca 0.41 -1.83 -0.26 0.00 -0.15 0.00 0.00 54.97 53.14 1c8a s GLU 95 Cb -0.04 -1.33 -0.00 0.00 -0.44 0.00 0.00 34.13 32.32 1c8a s GLU 95 CO 0.01 0.08 1.66 -2.00 0.95 0.00 0.00 175.26 175.96 1c8a s GLU 96 N -3.69 2.83 0.10 -4.83 -6.30 -1.26 -1.29 118.70 104.26 1c8a s GLU 96 Ca 0.30 0.24 -0.08 0.00 -2.50 0.00 0.00 54.97 52.94 1c8a s GLU 96 Cb 0.03 -4.38 -0.01 0.00 0.00 0.00 0.00 34.13 29.78 1c8a s GLU 96 CO 0.13 -2.56 0.18 0.54 0.02 0.00 0.00 175.26 173.58 1c8a s VAL 97 N 7.92 0.14 0.11 3.70 0.11 -1.26 -4.73 120.40 126.39 1c8a s VAL 97 Ca 0.56 -1.28 0.05 0.00 -2.93 0.00 0.00 61.98 58.39 1c8a s VAL 97 Cb -0.10 -1.44 -0.04 0.00 -1.53 0.00 0.00 36.38 33.26 1c8a s VAL 97 CO 0.17 -0.63 0.00 -0.94 -3.33 0.00 0.00 175.10 170.38 1c8a s SER 98 N -2.89 4.97 0.91 3.54 1.04 -1.26 -4.12 113.70 115.89 1c8a s SER 98 Ca 0.07 -0.23 -0.15 0.00 0.48 0.00 0.00 55.95 56.13 1c8a s SER 98 Cb 0.05 -1.15 0.16 0.00 0.10 0.00 0.00 66.02 65.17 1c8a s SER 98 CO -0.09 0.15 1.27 -2.16 0.98 0.00 0.00 173.24 173.39 1c8a s PRO 99 N -2.46 1.10 -0.81 4.02 0.04 -1.26 -4.89 135.00 130.74 1c8a s PRO 99 Ca 0.26 -0.21 -0.18 0.00 0.04 0.00 0.00 61.00 60.91 1c8a s PRO 99 Cb -0.11 -1.88 0.15 0.00 0.04 0.00 0.00 34.50 32.69 1c8a s PRO 99 CO 0.18 -2.13 0.92 -1.59 0.04 0.00 0.00 177.00 174.42 1c8a s LYS 100 N -5.77 3.44 0.00 4.56 -2.85 -1.26 -4.92 119.74 112.94 1c8a s LYS 100 Ca 0.70 -1.81 0.00 0.00 -1.00 0.00 0.00 55.97 53.85 1c8a s LYS 100 Cb -0.07 -4.59 0.00 0.00 -2.06 0.00 0.00 37.83 31.11 1c8a s LYS 100 CO 0.52 -1.58 0.00 0.41 0.10 0.00 0.00 175.35 174.79 1c8a n GLY 101 N 5.00 1.86 3.46 0.59 0.00 -1.25 -4.92 105.19 109.94 1c8a n GLY 101 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1c8a n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c8a s ILE 102 N 0.00 3.89 1.03 -0.61 1.01 0.49 -4.75 121.20 122.26 1c8a s ILE 102 Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 1c8a s ILE 102 Cb 0.00 -2.73 0.21 0.00 0.01 0.00 0.00 42.46 39.95 1c8a s ILE 102 CO 0.00 0.46 1.14 -2.16 0.00 0.00 0.00 174.94 174.38 1c8a s PRO 103 N 0.71 0.14 -0.46 2.79 0.04 -1.26 -1.42 135.00 135.54 1c8a s PRO 103 Ca -0.01 0.17 -0.00 0.00 0.04 0.00 0.00 61.00 61.19 1c8a s PRO 103 Cb -0.14 -1.73 0.39 0.00 0.04 0.00 0.00 34.50 33.05 1c8a s PRO 103 CO 0.02 -2.85 1.94 -1.13 0.04 0.00 0.00 177.00 175.02 1c8a n SER 104 N -4.19 6.17 0.06 6.66 3.41 -1.25 -4.41 113.62 120.06 1c8a n SER 104 Ca 0.09 -3.40 -0.18 0.00 -0.26 0.00 0.00 58.87 55.12 1c8a n SER 104 Cb 0.59 -0.95 -0.14 0.00 -0.26 0.00 0.00 64.21 63.45 1c8a n SER 104 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1c8a h GLU 105 N 1.49 0.27 -0.44 4.33 4.11 -1.93 -3.35 114.58 119.05 1c8a h GLU 105 Ca 0.47 -0.45 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1c8a h GLU 105 Cb 1.29 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1c8a h GLU 105 CO 1.12 1.13 0.00 0.39 0.07 0.00 0.00 179.01 181.71 1c8a n GLU 106 N -3.46 2.92 -0.05 1.06 1.02 -1.26 -4.57 120.64 116.29 1c8a n GLU 106 Ca -0.19 -2.31 0.03 0.00 -0.02 0.00 0.00 57.16 54.67 1c8a n GLU 106 Cb 1.05 -1.43 0.37 0.00 -0.02 0.00 0.00 31.44 31.41 1c8a n GLU 106 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1c8a h ILE 107 N 2.62 1.14 -0.60 -3.67 6.09 -1.81 -1.80 117.51 119.48 1c8a h ILE 107 Ca 0.00 -0.30 0.03 0.00 -1.37 0.00 0.00 64.86 63.22 1c8a h ILE 107 Cb 0.90 0.46 -0.03 0.00 0.47 0.00 0.00 36.82 38.62 1c8a h ILE 107 CO 0.04 0.14 0.39 -1.28 -3.07 0.00 0.00 178.15 174.37 1c8a h SER 108 N 0.66 0.61 1.22 2.19 0.87 -1.85 0.25 113.55 117.51 1c8a h SER 108 Ca 0.17 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.59 1c8a h SER 108 Cb -0.03 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1c8a h SER 108 CO -0.03 0.43 -0.81 0.50 -0.53 0.00 0.00 176.83 176.38 1c8a h LYS 109 N 0.71 0.00 -0.61 2.24 3.64 -1.69 -3.29 116.57 117.57 1c8a h LYS 109 Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1c8a h LYS 109 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1c8a h LYS 109 CO -0.06 0.49 0.00 1.28 -2.27 0.00 0.00 179.45 178.89 1c8a n LEU 110 N -3.14 3.75 -4.68 5.20 4.77 -0.68 -4.97 117.00 117.26 1c8a n LEU 110 Ca -0.02 -1.79 -0.44 0.00 -0.03 0.00 0.00 56.01 53.73 1c8a n LEU 110 Cb 0.79 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1c8a n LEU 110 CO 0.42 0.90 1.45 0.52 -1.33 0.00 0.00 177.39 179.35 1c8a n VAL 111 N 1.59 0.40 -1.87 4.08 0.31 0.80 -1.34 118.33 122.30 1c8a n VAL 111 Ca 0.23 -0.07 -0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1c8a n VAL 111 Cb 0.61 -2.00 -0.00 0.00 -0.91 0.00 0.00 33.84 31.54 1c8a n VAL 111 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c8a n GLY 112 N 4.18 0.36 3.83 2.92 0.00 0.43 -4.92 105.19 111.99 1c8a n GLY 112 Ca 0.19 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 1c8a n GLY 112 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1c8a s MET 113 N -3.75 4.16 -0.16 1.61 0.00 -0.45 -4.39 119.30 116.32 1c8a s MET 113 Ca 0.00 0.83 -0.22 0.00 0.00 0.00 0.00 55.69 56.29 1c8a s MET 113 Cb 0.00 -2.61 -0.03 0.00 0.00 0.00 0.00 34.83 32.20 1c8a s MET 113 CO 0.00 0.24 0.69 -0.65 0.00 0.00 0.00 175.02 175.30 1c8a s GLN 114 N -2.55 4.29 0.50 3.16 -0.21 -1.26 -2.01 119.66 121.59 1c8a s GLN 114 Ca 0.50 0.77 -0.17 0.00 0.02 0.00 0.00 55.36 56.48 1c8a s GLN 114 Cb -0.13 -3.54 -0.08 0.00 1.00 0.00 0.00 33.01 30.26 1c8a s GLN 114 CO 0.19 -0.17 0.98 0.54 -2.12 0.00 0.00 175.29 174.71 1c8a s VAL 115 N 1.66 4.44 -1.79 1.09 0.11 -1.23 -4.77 120.40 119.91 1c8a s VAL 115 Ca 0.33 1.25 0.22 0.00 -2.93 0.00 0.00 61.98 60.85 1c8a s VAL 115 Cb -0.16 -3.67 -0.06 0.00 -1.53 0.00 0.00 36.38 30.96 1c8a s VAL 115 CO 0.13 -0.60 1.05 -3.20 -3.33 0.00 0.00 175.10 169.15 1c8a n ASN 116 N -1.41 1.78 -4.52 3.54 5.15 -1.26 -0.39 115.26 118.15 1c8a n ASN 116 Ca 0.07 -1.39 -0.24 0.00 -0.60 0.00 0.00 54.58 52.42 1c8a n ASN 116 Cb 0.54 0.60 -0.11 0.00 -0.53 0.00 0.00 39.78 40.28 1c8a n ASN 116 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1c8a s ARG 117 N -2.60 1.77 0.17 1.20 1.81 -1.26 -4.70 118.95 115.34 1c8a s ARG 117 Ca 0.16 -1.99 -0.30 0.00 -1.72 0.00 0.00 55.73 51.88 1c8a s ARG 117 Cb 0.18 -1.19 -0.07 0.00 -0.45 0.00 0.00 34.95 33.41 1c8a s ARG 117 CO 0.64 -0.12 0.94 0.00 -0.68 0.00 0.00 175.30 176.08 1c8a s ALA 118 N -3.05 3.30 -0.08 2.13 0.00 -1.26 -4.04 121.76 118.76 1c8a s ALA 118 Ca 0.36 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1c8a s ALA 118 Cb 0.09 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 1c8a s ALA 118 CO 0.16 0.09 -0.07 0.08 0.00 0.00 0.00 175.76 176.03 1c8a s VAL 119 N -0.57 3.70 0.00 0.00 1.01 0.45 -4.91 120.40 120.08 1c8a s VAL 119 Ca 0.44 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1c8a s VAL 119 Cb -0.24 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1c8a s VAL 119 CO 0.30 0.59 0.00 -1.22 0.00 0.00 0.00 175.10 174.77 1c8a n TYR 120 N 2.36 0.00 0.00 5.22 4.01 -1.26 -1.79 117.16 125.70 1c8a n TYR 120 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1c8a n TYR 120 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1c8a n TYR 120 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1c8a n LEU 121 N 0.00 0.00 -4.32 7.72 7.99 -1.26 -3.61 117.00 123.53 1c8a n LEU 121 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.89 1c8a n LEU 121 Cb 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.21 1c8a n LEU 121 CO 0.00 -0.12 1.37 0.47 -1.51 0.00 0.00 177.39 177.60 1c8a n ASP 122 N 0.00 -0.83 -4.36 -1.43 8.00 -0.56 -4.56 116.55 112.81 1c8a n ASP 122 Ca 0.00 -1.33 -0.29 0.00 0.71 0.00 0.00 54.79 53.87 1c8a n ASP 122 Cb 0.00 -0.90 -0.14 0.00 -0.02 0.00 0.00 41.12 40.07 1c8a n ASP 122 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1c8a s GLN 123 N 6.69 1.57 0.13 -1.24 0.74 -1.02 -3.43 119.66 123.09 1c8a s GLN 123 Ca 0.65 -1.23 -0.30 0.00 0.05 0.00 0.00 55.36 54.54 1c8a s GLN 123 Cb -0.28 -1.91 -0.07 0.00 1.10 0.00 0.00 33.01 31.85 1c8a s GLN 123 CO 0.22 0.47 1.09 0.99 -0.55 0.00 0.00 175.29 177.51 1c8a s THR 124 N -0.94 4.08 0.12 -0.34 2.01 -1.26 -0.20 115.64 119.11 1c8a s THR 124 Ca 0.13 1.69 -0.30 0.00 0.31 0.00 0.00 61.69 63.51 1c8a s THR 124 Cb -0.10 -4.08 -0.06 0.00 0.01 0.00 0.00 72.50 68.27 1c8a s THR 124 CO 0.04 0.24 1.13 -0.22 -0.69 0.00 0.00 174.62 175.12 1c8a s LEU 125 N 0.11 4.43 0.17 4.42 2.96 0.03 -4.90 118.68 125.90 1c8a s LEU 125 Ca 0.51 2.03 0.09 0.00 -0.22 0.00 0.00 54.13 56.54 1c8a s LEU 125 Cb -0.28 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.78 1c8a s LEU 125 CO 0.32 -0.33 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.79 1c8a s MET 126 N 0.30 1.32 0.39 1.98 -1.94 -1.26 -0.38 119.30 119.72 1c8a s MET 126 Ca 0.53 -1.43 0.19 0.00 -1.71 0.00 0.00 55.69 53.27 1c8a s MET 126 Cb -0.29 -1.44 0.76 0.00 2.01 0.00 0.00 34.83 35.87 1c8a s MET 126 CO 0.32 0.30 1.78 -1.00 -0.01 0.00 0.00 175.02 176.41 1c8a h PRO 127 N 3.26 0.00 0.00 2.03 0.13 -1.88 -2.93 132.00 132.61 1c8a h PRO 127 Ca -0.43 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.60 1c8a h PRO 127 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1c8a h PRO 127 CO 0.50 0.36 -0.46 -0.44 -0.23 0.00 0.00 178.00 177.73 1c8a h ASP 128 N 0.00 0.00 0.25 1.44 3.32 -2.00 -3.19 116.42 116.25 1c8a h ASP 128 Ca -0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 1c8a h ASP 128 Cb 0.81 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.40 1c8a h ASP 128 CO 0.05 0.46 -1.44 -0.03 -1.72 0.00 0.00 179.24 176.55 1c8a h MET 129 N 0.00 0.53 -5.56 3.56 4.05 -1.94 -3.43 114.93 112.14 1c8a h MET 129 Ca -0.00 -0.91 -0.63 0.00 -0.28 0.00 0.00 59.70 57.88 1c8a h MET 129 Cb 0.89 0.34 -0.13 0.00 -0.80 0.00 0.00 31.60 31.90 1c8a h MET 129 CO 0.06 1.43 0.21 0.08 0.23 0.00 0.00 176.91 178.92 1c8a s VAL 130 N -2.59 4.83 -0.68 -5.77 1.01 -1.15 -4.25 120.40 111.81 1c8a s VAL 130 Ca -0.09 0.58 0.25 0.00 0.00 0.00 0.00 61.98 62.72 1c8a s VAL 130 Cb 0.04 -4.14 0.22 0.00 0.00 0.00 0.00 36.38 32.50 1c8a s VAL 130 CO 0.94 -0.40 1.62 0.07 0.00 0.00 0.00 175.10 177.33 1c8a h LYS 131 N 8.55 0.00 -0.81 2.72 2.10 -1.83 -3.28 116.57 124.02 1c8a h LYS 131 Ca -0.26 0.00 -0.38 0.00 -2.00 0.00 0.00 60.65 58.01 1c8a h LYS 131 Cb 1.10 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 32.21 1c8a h LYS 131 CO 0.87 0.00 0.43 0.09 -2.00 0.00 0.00 179.45 178.83 1c8a n ASN 132 N -2.29 3.77 -4.82 7.07 4.13 -1.26 -4.99 115.26 116.87 1c8a n ASN 132 Ca 0.05 -3.54 -0.33 0.00 1.68 0.00 0.00 54.58 52.44 1c8a n ASN 132 Cb 0.44 -0.78 -0.06 0.00 -1.54 0.00 0.00 39.78 37.85 1c8a n ASN 132 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1c8a s TYR 133 N -3.21 3.33 -2.07 3.10 5.04 -1.24 -5.13 117.35 117.17 1c8a s TYR 133 Ca 0.54 1.57 0.31 0.00 -2.44 0.00 0.00 57.07 57.06 1c8a s TYR 133 Cb 0.46 -2.84 1.78 0.00 0.35 0.00 0.00 41.96 41.71 1c8a s TYR 133 CO 0.10 -0.20 2.16 0.39 -1.34 0.00 0.00 175.55 176.65