#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c89 s LYS 2 N 0.00 2.83 0.29 -3.83 3.01 -1.26 -4.99 119.74 115.79 1c89 s LYS 2 Ca 0.00 0.07 -0.28 0.00 -1.01 0.00 0.00 55.97 54.74 1c89 s LYS 2 Cb 0.00 -2.21 -0.09 0.00 -1.01 0.00 0.00 37.83 34.52 1c89 s LYS 2 CO 0.00 -0.82 1.02 0.00 0.51 0.00 0.00 175.35 176.06 1c89 s ALA 3 N -3.09 3.32 0.21 5.17 0.00 -1.26 -4.64 121.76 121.47 1c89 s ALA 3 Ca 0.55 0.74 0.05 0.00 0.00 0.00 0.00 51.96 53.30 1c89 s ALA 3 Cb -0.11 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1c89 s ALA 3 CO 0.46 -0.01 0.24 0.45 0.00 0.00 0.00 175.76 176.90 1c89 s SER 4 N -1.16 5.84 -0.78 0.00 0.15 0.32 -3.72 113.70 114.34 1c89 s SER 4 Ca 0.46 -0.08 -0.26 0.00 0.70 0.00 0.00 55.95 56.77 1c89 s SER 4 Cb -0.27 -1.60 0.01 0.00 -1.71 0.00 0.00 66.02 62.45 1c89 s SER 4 CO 0.34 -0.01 1.56 -0.69 1.20 0.00 0.00 173.24 175.65 1c89 s VAL 5 N -1.95 3.62 -0.29 4.45 1.01 -0.96 -1.58 120.40 124.69 1c89 s VAL 5 Ca 0.33 0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.29 1c89 s VAL 5 Cb -0.09 -4.55 0.02 0.00 0.00 0.00 0.00 36.38 31.76 1c89 s VAL 5 CO 0.26 -1.48 0.06 -0.69 0.00 0.00 0.00 175.10 173.24 1c89 s VAL 6 N 7.12 3.72 0.33 2.92 1.01 0.52 -0.95 120.40 135.07 1c89 s VAL 6 Ca 0.51 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 1c89 s VAL 6 Cb -0.08 -2.94 -0.12 0.00 0.00 0.00 0.00 36.38 33.24 1c89 s VAL 6 CO 0.10 0.06 1.49 0.00 0.00 0.00 0.00 175.10 176.75 1c89 n ALA 7 N 4.82 2.14 -0.05 5.51 0.00 0.32 -1.43 120.51 131.81 1c89 n ALA 7 Ca -0.15 0.36 -0.18 0.00 0.00 0.00 0.00 53.44 53.48 1c89 n ALA 7 Cb 0.47 -2.40 -0.13 0.00 0.00 0.00 0.00 19.45 17.40 1c89 n ALA 7 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1c89 h ASN 8 N 3.66 0.12 -5.27 0.00 -1.24 -1.72 0.37 115.58 111.50 1c89 h ASN 8 Ca -0.48 -0.86 -0.41 0.00 0.71 0.00 0.00 56.30 55.26 1c89 h ASN 8 Cb 1.25 -0.04 0.08 0.00 0.73 0.00 0.00 38.32 40.33 1c89 h ASN 8 CO 0.70 1.25 0.11 0.00 -1.29 0.00 0.00 177.43 178.20 1c89 n GLN 9 N -4.41 -0.04 -3.32 6.67 10.64 -1.26 -2.18 117.38 123.48 1c89 n GLN 9 Ca -0.17 -2.40 -0.38 0.00 -1.83 0.00 0.00 57.00 52.22 1c89 n GLN 9 Cb 0.63 -0.60 -0.06 0.00 -0.86 0.00 0.00 30.24 29.35 1c89 n GLN 9 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1c89 s LEU 10 N 0.00 4.47 -0.07 2.61 0.20 -1.26 -4.21 118.68 120.42 1c89 s LEU 10 Ca 0.59 1.19 0.05 0.00 0.69 0.00 0.00 54.13 56.65 1c89 s LEU 10 Cb -0.03 -2.97 -0.01 0.00 -0.43 0.00 0.00 46.19 42.75 1c89 s LEU 10 CO 0.39 0.23 -0.24 -0.63 -0.29 0.00 0.00 176.35 175.82 1c89 s ILE 11 N -1.20 2.13 0.00 6.68 -1.09 0.33 -4.95 121.20 123.10 1c89 s ILE 11 Ca 0.31 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 1c89 s ILE 11 Cb -0.18 -1.79 0.00 0.00 -1.58 0.00 0.00 42.46 38.91 1c89 s ILE 11 CO 0.18 0.57 0.00 -0.81 -1.23 0.00 0.00 174.94 173.65 1c89 n PRO 12 N 3.08 1.04 -3.05 2.79 -0.04 -1.26 0.19 135.00 137.75 1c89 n PRO 12 Ca -0.18 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.97 1c89 n PRO 12 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.94 1c89 n PRO 12 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1c89 s ILE 13 N 0.00 4.77 -0.63 0.52 -1.09 -1.26 -4.21 121.20 119.29 1c89 s ILE 13 Ca 0.00 0.70 -0.17 0.00 -2.23 0.00 0.00 60.65 58.95 1c89 s ILE 13 Cb 0.00 -3.67 0.03 0.00 -1.58 0.00 0.00 42.46 37.23 1c89 s ILE 13 CO 0.00 -0.33 0.64 0.59 -1.23 0.00 0.00 174.94 174.60 1c89 n ASN 14 N -0.80 -5.70 -3.74 3.58 3.02 -0.79 -4.91 115.26 105.93 1c89 n ASN 14 Ca 0.02 -0.42 -0.19 0.00 -0.03 0.00 0.00 54.58 53.97 1c89 n ASN 14 Cb 0.53 -2.38 -0.17 0.00 -0.61 0.00 0.00 39.78 37.15 1c89 n ASN 14 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1c89 s THR 15 N -2.35 0.03 -0.72 3.41 2.01 -1.26 -4.84 115.64 111.92 1c89 s THR 15 Ca 0.18 0.27 -0.26 0.00 0.31 0.00 0.00 61.69 62.19 1c89 s THR 15 Cb -0.02 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.26 1c89 s THR 15 CO 0.86 0.17 1.75 0.00 -0.69 0.00 0.00 174.62 176.71 1c89 s ALA 16 N 1.68 2.20 0.63 7.40 0.00 -1.21 -4.01 121.76 128.45 1c89 s ALA 16 Ca -0.01 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 50.73 1c89 s ALA 16 Cb -0.13 -4.36 -0.05 0.00 0.00 0.00 0.00 23.12 18.58 1c89 s ALA 16 CO -0.03 -3.96 0.79 1.28 0.00 0.00 0.00 175.76 173.83 1c89 n LEU 17 N 12.18 2.54 -4.70 0.00 4.77 -1.08 -4.42 117.00 126.29 1c89 n LEU 17 Ca 0.22 0.73 -0.31 0.00 -0.03 0.00 0.00 56.01 56.63 1c89 n LEU 17 Cb 0.50 -1.31 -0.09 0.00 -2.33 0.00 0.00 43.42 40.19 1c89 n LEU 17 CO 0.68 -2.38 -0.27 0.42 -1.33 0.00 0.00 177.39 174.51 1c89 s THR 18 N -1.67 1.51 0.25 -5.08 -4.23 -1.26 0.92 115.64 106.09 1c89 s THR 18 Ca 0.73 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.19 1c89 s THR 18 Cb -0.40 -2.52 0.25 0.00 1.34 0.00 0.00 72.50 71.16 1c89 s THR 18 CO 0.50 0.00 1.90 -0.07 -0.54 0.00 0.00 174.62 176.41 1c89 h LEU 19 N 1.54 1.04 -0.20 4.79 3.38 -1.95 0.26 115.31 124.17 1c89 h LEU 19 Ca -0.44 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1c89 h LEU 19 Cb 1.28 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1c89 h LEU 19 CO 0.77 0.71 0.01 0.40 0.09 0.00 0.00 178.44 180.41 1c89 h ILE 20 N 1.21 1.25 0.00 1.22 5.03 -2.02 -2.51 117.51 121.69 1c89 h ILE 20 Ca 0.39 -0.85 0.00 0.00 -0.12 0.00 0.00 64.86 64.28 1c89 h ILE 20 Cb 0.02 1.42 0.00 0.00 -3.03 0.00 0.00 36.82 35.23 1c89 h ILE 20 CO -0.13 0.26 0.00 0.23 -0.68 0.00 0.00 178.15 177.83 1c89 n MET 21 N -4.70 0.65 -3.90 2.37 2.81 -0.98 -4.59 117.12 108.77 1c89 n MET 21 Ca -0.04 0.01 -0.35 0.00 -1.81 0.00 0.00 57.70 55.51 1c89 n MET 21 Cb 0.22 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.09 1c89 n MET 21 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1c89 s MET 22 N -2.30 2.57 -0.18 0.03 0.00 0.88 -2.25 119.30 118.04 1c89 s MET 22 Ca 0.35 -1.17 -0.03 0.00 0.00 0.00 0.00 55.69 54.84 1c89 s MET 22 Cb 0.19 -3.17 -0.02 0.00 0.00 0.00 0.00 34.83 31.84 1c89 s MET 22 CO 0.39 -0.56 -0.05 0.15 0.00 0.00 0.00 175.02 174.94 1c89 s LYS 23 N 1.30 3.49 -1.19 4.11 1.02 -0.52 -4.77 119.74 123.19 1c89 s LYS 23 Ca -0.03 -0.59 -0.10 0.00 0.02 0.00 0.00 55.97 55.27 1c89 s LYS 23 Cb -0.19 -2.91 0.22 0.00 -0.52 0.00 0.00 37.83 34.43 1c89 s LYS 23 CO -0.01 0.04 1.50 0.00 -0.92 0.00 0.00 175.35 175.96 1c89 n ALA 24 N 4.09 4.62 -2.68 5.17 0.00 -1.26 0.20 120.51 130.66 1c89 n ALA 24 Ca -0.18 -4.46 -0.21 0.00 0.00 0.00 0.00 53.44 48.59 1c89 n ALA 24 Cb 0.52 -2.77 -0.03 0.00 0.00 0.00 0.00 19.45 17.17 1c89 n ALA 24 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1c89 s GLU 25 N -0.22 3.05 -0.86 0.00 2.12 -0.62 -4.49 118.70 117.69 1c89 s GLU 25 Ca 0.37 -1.04 -0.05 0.00 0.36 0.00 0.00 54.97 54.61 1c89 s GLU 25 Cb 0.01 -2.69 0.03 0.00 0.26 0.00 0.00 34.13 31.74 1c89 s GLU 25 CO 0.01 0.24 2.74 0.28 -0.54 0.00 0.00 175.26 177.98 1c89 n VAL 26 N -1.41 4.14 -3.51 3.70 0.31 -1.26 0.12 118.33 120.41 1c89 n VAL 26 Ca -0.04 -3.30 -0.20 0.00 -0.01 0.00 0.00 64.34 60.78 1c89 n VAL 26 Cb 0.58 -1.93 -0.02 0.00 -0.91 0.00 0.00 33.84 31.56 1c89 n VAL 26 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1c89 s VAL 27 N -1.00 3.00 0.39 2.52 -7.23 -1.26 -4.92 120.40 111.90 1c89 s VAL 27 Ca 0.59 -1.27 0.08 0.00 -1.81 0.00 0.00 61.98 59.57 1c89 s VAL 27 Cb 0.28 -3.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.14 1c89 s VAL 27 CO -0.13 -0.05 0.46 0.42 -0.31 0.00 0.00 175.10 175.49 1c89 s THR 28 N -2.39 3.22 0.59 5.32 -4.23 -1.26 -4.28 115.64 112.60 1c89 s THR 28 Ca 0.48 -1.14 -0.16 0.00 -1.18 0.00 0.00 61.69 59.68 1c89 s THR 28 Cb -0.05 -3.11 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 1c89 s THR 28 CO 0.29 -0.06 1.06 -2.16 -0.54 0.00 0.00 174.62 173.20 1c89 s PRO 29 N -4.20 3.33 -1.01 3.99 0.04 -1.26 -4.82 135.00 131.07 1c89 s PRO 29 Ca 0.49 1.21 -0.24 0.00 0.04 0.00 0.00 61.00 62.50 1c89 s PRO 29 Cb -0.07 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 1c89 s PRO 29 CO 0.30 -0.80 2.00 0.00 0.04 0.00 0.00 177.00 178.54 1c89 s MET 30 N -4.05 2.34 0.00 4.56 0.23 -1.26 -4.86 119.30 116.26 1c89 s MET 30 Ca 0.64 -0.56 0.00 0.00 -1.03 0.00 0.00 55.69 54.73 1c89 s MET 30 Cb -0.16 -5.10 0.00 0.00 -1.53 0.00 0.00 34.83 28.04 1c89 s MET 30 CO 0.36 -3.87 0.00 0.41 -2.03 0.00 0.00 175.02 169.90 1c89 n GLY 31 N 6.40 0.72 3.75 3.16 0.00 -1.26 -4.99 105.19 112.98 1c89 n GLY 31 Ca 0.43 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 1c89 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c89 s ILE 32 N 1.64 4.66 0.19 -0.61 1.01 -0.65 -4.99 121.20 122.45 1c89 s ILE 32 Ca 0.00 1.65 -0.03 0.00 0.00 0.00 0.00 60.65 62.27 1c89 s ILE 32 Cb 0.00 -4.12 0.05 0.00 0.01 0.00 0.00 42.46 38.39 1c89 s ILE 32 CO 0.00 0.39 0.20 -0.81 0.00 0.00 0.00 174.94 174.72 1c89 n PRO 33 N 2.57 -1.00 -1.42 2.79 -0.04 -1.26 -2.25 135.00 134.37 1c89 n PRO 33 Ca -0.03 -0.31 -0.31 0.00 -0.04 0.00 0.00 63.50 62.81 1c89 n PRO 33 Cb 0.50 -0.26 0.08 0.00 -0.04 0.00 0.00 33.50 33.78 1c89 n PRO 33 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c89 n ALA 34 N -3.26 6.01 0.10 0.55 0.00 -1.24 -4.22 120.51 118.44 1c89 n ALA 34 Ca -0.04 -3.48 -0.13 0.00 0.00 0.00 0.00 53.44 49.79 1c89 n ALA 34 Cb 0.10 -1.48 -0.08 0.00 0.00 0.00 0.00 19.45 17.99 1c89 n ALA 34 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1c89 h GLU 35 N 1.93 -0.26 -1.01 0.00 4.81 -1.92 -3.09 114.58 115.04 1c89 h GLU 35 Ca 0.56 0.02 -0.38 0.00 -0.13 0.00 0.00 59.36 59.43 1c89 h GLU 35 Cb 1.11 0.06 -0.22 0.00 0.63 0.00 0.00 28.75 30.33 1c89 h GLU 35 CO 1.38 0.06 0.48 0.39 -0.73 0.00 0.00 179.01 180.60 1c89 n GLU 36 N -5.06 1.92 -0.25 1.92 1.02 -1.26 -4.65 120.64 114.28 1c89 n GLU 36 Ca -0.09 -2.19 -0.13 0.00 -0.02 0.00 0.00 57.16 54.74 1c89 n GLU 36 Cb 0.23 -1.86 -0.10 0.00 -0.02 0.00 0.00 31.44 29.70 1c89 n GLU 36 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1c89 h ILE 37 N 0.74 0.00 0.00 -3.67 1.08 -1.86 1.48 117.51 115.28 1c89 h ILE 37 Ca 0.46 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.93 1c89 h ILE 37 Cb 2.30 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 36.05 1c89 h ILE 37 CO 0.82 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.47 1c89 n PRO 38 N -5.33 0.34 -0.11 2.37 -0.04 -1.26 -0.93 135.00 130.03 1c89 n PRO 38 Ca -0.01 0.08 -0.22 0.00 -0.04 0.00 0.00 63.50 63.31 1c89 n PRO 38 Cb 0.31 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.20 1c89 n PRO 38 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1c89 n ASN 39 N -1.16 1.61 -0.66 3.54 4.13 0.42 -4.55 115.26 118.60 1c89 n ASN 39 Ca 0.09 0.28 0.10 0.00 1.68 0.00 0.00 54.58 56.73 1c89 n ASN 39 Cb 0.09 -0.66 0.33 0.00 -1.54 0.00 0.00 39.78 37.99 1c89 n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1c89 n LEU 40 N -4.05 1.96 -4.73 3.41 -0.00 0.33 -4.94 117.00 108.99 1c89 n LEU 40 Ca -0.40 -0.84 -0.37 0.00 -0.00 0.00 0.00 56.01 54.40 1c89 n LEU 40 Cb 0.76 -0.14 0.07 0.00 -0.00 0.00 0.00 43.42 44.10 1c89 n LEU 40 CO 0.05 0.42 0.91 0.52 -0.00 0.00 0.00 177.39 179.28 1c89 n VAL 41 N 0.52 4.92 -1.04 1.47 0.31 -0.11 -1.75 118.33 122.64 1c89 n VAL 41 Ca 0.16 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.98 1c89 n VAL 41 Cb 0.37 -1.50 -0.01 0.00 -0.91 0.00 0.00 33.84 31.79 1c89 n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c89 n GLY 42 N 0.92 0.36 3.77 2.92 0.00 0.26 -4.88 105.19 108.54 1c89 n GLY 42 Ca 0.16 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1c89 n GLY 42 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1c89 s MET 43 N -1.33 2.63 -0.18 1.61 0.00 -0.72 -3.92 119.30 117.38 1c89 s MET 43 Ca 0.00 1.30 -0.10 0.00 0.00 0.00 0.00 55.69 56.89 1c89 s MET 43 Cb 0.00 -1.94 -0.05 0.00 0.00 0.00 0.00 34.83 32.85 1c89 s MET 43 CO 0.00 -1.37 0.13 -0.65 0.00 0.00 0.00 175.02 173.14 1c89 s GLN 44 N -4.40 4.05 0.60 3.16 -0.21 -1.26 -2.63 119.66 118.99 1c89 s GLN 44 Ca 0.65 -0.20 -0.06 0.00 0.02 0.00 0.00 55.36 55.76 1c89 s GLN 44 Cb -0.19 -3.38 0.01 0.00 1.00 0.00 0.00 33.01 30.45 1c89 s GLN 44 CO 0.47 0.39 0.92 0.14 -2.12 0.00 0.00 175.29 175.08 1c89 s VAL 45 N 0.11 3.57 -0.71 1.09 -7.23 -1.26 -4.78 120.40 111.18 1c89 s VAL 45 Ca 0.09 0.02 0.23 0.00 -1.81 0.00 0.00 61.98 60.51 1c89 s VAL 45 Cb -0.11 -3.43 -0.12 0.00 0.56 0.00 0.00 36.38 33.28 1c89 s VAL 45 CO -0.01 -0.45 1.04 0.59 -0.31 0.00 0.00 175.10 175.96 1c89 n ASN 46 N -2.63 0.64 -3.73 4.85 5.03 -0.89 -1.88 115.26 116.64 1c89 n ASN 46 Ca 0.05 -0.34 -0.18 0.00 0.87 0.00 0.00 54.58 54.98 1c89 n ASN 46 Cb 0.58 0.79 -0.09 0.00 -1.02 0.00 0.00 39.78 40.04 1c89 n ASN 46 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1c89 s ARG 47 N -3.15 1.58 0.42 3.52 0.52 -1.25 -4.79 118.95 115.82 1c89 s ARG 47 Ca 0.05 -1.90 -0.23 0.00 -0.52 0.00 0.00 55.73 53.13 1c89 s ARG 47 Cb 0.15 0.19 -0.09 0.00 0.52 0.00 0.00 34.95 35.72 1c89 s ARG 47 CO 0.80 -0.54 1.02 0.00 0.02 0.00 0.00 175.30 176.61 1c89 s ALA 48 N -3.66 3.02 -0.14 2.13 0.00 -1.26 -4.39 121.76 117.47 1c89 s ALA 48 Ca 0.39 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.98 1c89 s ALA 48 Cb 0.04 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1c89 s ALA 48 CO 0.21 -0.16 -0.20 0.08 0.00 0.00 0.00 175.76 175.68 1c89 s VAL 49 N -1.82 2.24 0.00 0.00 1.01 0.52 -4.96 120.40 117.39 1c89 s VAL 49 Ca 0.61 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1c89 s VAL 49 Cb -0.18 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1c89 s VAL 49 CO 0.23 0.54 0.00 -0.81 0.00 0.00 0.00 175.10 175.06 1c89 n PRO 50 N 3.97 -0.79 -2.99 2.72 -0.04 -1.26 0.12 135.00 136.73 1c89 n PRO 50 Ca -0.20 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.88 1c89 n PRO 50 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 1c89 n PRO 50 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1c89 s LEU 51 N 0.00 4.52 -1.57 1.53 1.02 -1.26 -3.72 118.68 119.20 1c89 s LEU 51 Ca 0.00 1.61 -0.01 0.00 0.02 0.00 0.00 54.13 55.75 1c89 s LEU 51 Cb 0.00 -3.43 0.00 0.00 0.02 0.00 0.00 46.19 42.78 1c89 s LEU 51 CO 0.00 0.14 0.17 0.61 0.02 0.00 0.00 176.35 177.30 1c89 n GLY 52 N 1.30 -0.42 3.73 -3.19 0.00 0.13 -4.95 105.19 101.78 1c89 n GLY 52 Ca -0.04 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1c89 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c89 s THR 53 N -3.01 4.98 0.69 2.61 2.01 -0.99 -4.73 115.64 117.21 1c89 s THR 53 Ca 0.09 1.46 -0.11 0.00 0.31 0.00 0.00 61.69 63.44 1c89 s THR 53 Cb -0.04 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.43 1c89 s THR 53 CO 0.11 0.28 1.06 0.28 -0.69 0.00 0.00 174.62 175.66 1c89 s THR 54 N 0.58 4.06 -0.50 -0.82 -1.32 -1.26 -0.52 115.64 115.85 1c89 s THR 54 Ca 0.37 0.68 -0.28 0.00 -1.21 0.00 0.00 61.69 61.25 1c89 s THR 54 Cb -0.18 -3.43 0.01 0.00 -1.51 0.00 0.00 72.50 67.39 1c89 s THR 54 CO 0.19 -0.86 1.41 -0.22 -2.21 0.00 0.00 174.62 172.93 1c89 s LEU 55 N -5.48 3.48 -0.14 9.08 1.98 -0.12 -4.86 118.68 122.62 1c89 s LEU 55 Ca 0.58 0.51 -0.07 0.00 -2.89 0.00 0.00 54.13 52.26 1c89 s LEU 55 Cb -0.14 -3.25 -0.04 0.00 0.66 0.00 0.00 46.19 43.42 1c89 s LEU 55 CO 0.54 -1.60 0.09 -0.32 -1.89 0.00 0.00 176.35 173.17 1c89 s MET 56 N 5.28 3.62 0.32 1.98 1.75 -1.26 -1.64 119.30 129.35 1c89 s MET 56 Ca 0.56 -0.25 0.26 0.00 -1.25 0.00 0.00 55.69 55.01 1c89 s MET 56 Cb -0.12 -3.16 0.97 0.00 2.84 0.00 0.00 34.83 35.36 1c89 s MET 56 CO 0.28 0.56 1.77 -1.00 -0.65 0.00 0.00 175.02 175.98 1c89 h PRO 57 N 5.73 0.00 -0.05 4.11 0.13 -1.94 -3.00 132.00 136.98 1c89 h PRO 57 Ca -0.47 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.43 1c89 h PRO 57 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1c89 h PRO 57 CO 0.64 0.00 -0.89 -0.44 -0.23 0.00 0.00 178.00 177.07 1c89 h ASP 58 N 0.00 0.74 0.56 1.44 3.32 -1.95 -3.15 116.42 117.39 1c89 h ASP 58 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1c89 h ASP 58 Cb 0.52 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1c89 h ASP 58 CO 0.00 1.34 -0.27 0.23 -1.72 0.00 0.00 179.24 178.81 1c89 n MET 59 N -3.84 0.24 -4.48 3.56 2.81 -1.17 -4.77 117.12 109.47 1c89 n MET 59 Ca -0.08 -0.10 -0.33 0.00 -1.81 0.00 0.00 57.70 55.38 1c89 n MET 59 Cb 0.80 -1.50 -0.15 0.00 -0.71 0.00 0.00 33.22 31.67 1c89 n MET 59 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1c89 s VAL 60 N -2.83 2.87 0.00 2.03 1.01 -1.14 -2.09 120.40 120.24 1c89 s VAL 60 Ca 0.17 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1c89 s VAL 60 Cb 0.19 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1c89 s VAL 60 CO 0.59 0.50 0.00 2.29 0.00 0.00 0.00 175.10 178.49 1c89 n LYS 61 N 4.05 1.90 -2.12 2.72 2.85 -1.26 -4.56 118.16 121.73 1c89 n LYS 61 Ca -0.19 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.78 1c89 n LYS 61 Cb 0.52 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.85 1c89 n LYS 61 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1c89 s ASN 62 N -1.80 5.29 0.00 -5.58 0.01 -1.25 -4.87 114.94 106.73 1c89 s ASN 62 Ca 0.00 -1.25 0.00 0.00 -0.71 0.00 0.00 52.86 50.90 1c89 s ASN 62 Cb 0.00 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.09 1c89 s ASN 62 CO 0.00 -2.71 0.00 0.00 -1.51 0.00 0.00 177.10 172.88 1c89 n TYR 63 N 13.47 0.00 0.00 2.20 4.11 -1.26 -4.67 117.16 131.01 1c89 n TYR 63 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.32 1c89 n TYR 63 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.81 1c89 n TYR 63 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 1c89 n GLU 64 N 0.00 0.18 -1.13 -3.48 1.02 -1.26 -4.87 120.64 111.10 1c89 n GLU 64 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 1c89 n GLU 64 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1c89 n ASP 65 N 0.00 5.59 -1.22 1.62 9.92 -1.26 -4.28 116.55 126.91 1c89 n ASP 65 Ca 0.00 -2.68 -0.07 0.00 -0.53 0.00 0.00 54.79 51.51 1c89 n ASP 65 Cb 0.00 -1.36 0.15 0.00 -0.64 0.00 0.00 41.12 39.27 1c89 n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c89 n GLY 66 N 2.03 5.46 0.00 0.44 0.00 -1.26 -5.01 105.19 106.86 1c89 n GLY 66 Ca 0.44 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1c89 n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1c89 n THR 67 N -1.00 0.00 -0.07 2.61 -2.24 -1.26 -5.07 114.28 107.25 1c89 n THR 67 Ca 0.32 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 1c89 n THR 67 Cb 0.86 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1c89 n THR 67 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1c89 n THR 68 N 0.00 0.00 -1.61 4.28 5.66 -1.26 -5.08 114.28 116.27 1c89 n THR 68 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1c89 n THR 68 Cb 0.00 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 68.84 1c89 n THR 68 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1c89 s SER 69 N -0.82 5.24 0.00 1.09 0.15 -1.26 -4.98 113.70 113.11 1c89 s SER 69 Ca 0.00 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.15 1c89 s SER 69 Cb 0.00 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1c89 s SER 69 CO 0.00 -1.52 0.00 -0.81 1.20 0.00 0.00 173.24 172.11 1c89 n PRO 70 N -3.17 2.22 0.00 5.44 -0.04 -1.26 -4.62 135.00 133.57 1c89 n PRO 70 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1c89 n PRO 70 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1c89 n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c89 n GLY 71 N 3.16 2.02 2.32 0.55 0.00 -1.26 -4.70 105.19 107.29 1c89 n GLY 71 Ca 0.00 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 1c89 n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c89 n LEU 72 N 0.00 6.26 -4.66 0.99 4.77 -1.26 -4.93 117.00 118.17 1c89 n LEU 72 Ca 0.00 -3.84 -0.43 0.00 -0.03 0.00 0.00 56.01 51.71 1c89 n LEU 72 Cb 0.00 -1.31 -0.03 0.00 -2.33 0.00 0.00 43.42 39.75 1c89 n LEU 72 CO 0.00 1.76 1.30 -0.54 -1.33 0.00 0.00 177.39 178.57 1c89 s LYS 73 N -0.65 4.14 0.20 3.23 1.02 -1.26 -4.09 119.74 122.33 1c89 s LYS 73 Ca 0.62 1.97 0.08 0.00 0.02 0.00 0.00 55.97 58.66 1c89 s LYS 73 Cb 0.34 -3.94 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 1c89 s LYS 73 CO -0.14 -0.88 0.02 -1.12 -0.92 0.00 0.00 175.35 172.31 1c89 s SER 74 N 3.12 4.79 0.20 2.83 0.01 -0.87 -4.41 113.70 119.36 1c89 s SER 74 Ca 0.68 -0.43 -0.30 0.00 1.31 0.00 0.00 55.95 57.21 1c89 s SER 74 Cb -0.29 -1.01 -0.08 0.00 0.21 0.00 0.00 66.02 64.85 1c89 s SER 74 CO 0.26 0.06 1.11 -0.69 0.41 0.00 0.00 173.24 174.39 1c89 s VAL 75 N -1.88 3.76 -0.00 3.43 1.01 -0.93 -1.05 120.40 124.75 1c89 s VAL 75 Ca 0.29 1.56 0.02 0.00 0.00 0.00 0.00 61.98 63.85 1c89 s VAL 75 Cb -0.09 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 1c89 s VAL 75 CO 0.19 0.28 -0.07 -0.69 0.00 0.00 0.00 175.10 174.81 1c89 s VAL 76 N -0.37 0.58 -0.99 2.92 1.01 0.34 -0.47 120.40 123.43 1c89 s VAL 76 Ca 0.49 -0.38 -0.22 0.00 0.00 0.00 0.00 61.98 61.86 1c89 s VAL 76 Cb -0.30 -0.50 0.07 0.00 0.00 0.00 0.00 36.38 35.64 1c89 s VAL 76 CO 0.36 0.12 1.37 0.00 0.00 0.00 0.00 175.10 176.95 1c89 s ALA 77 N -0.28 2.86 0.55 5.51 0.00 0.27 0.85 121.76 131.53 1c89 s ALA 77 Ca 0.02 -2.34 0.24 0.00 0.00 0.00 0.00 51.96 49.87 1c89 s ALA 77 Cb -0.03 -4.41 1.46 0.00 0.00 0.00 0.00 23.12 20.13 1c89 s ALA 77 CO -0.00 -3.46 2.09 -0.97 0.00 0.00 0.00 175.76 173.41 1c89 h ASN 78 N 9.60 0.00 -3.65 0.00 -1.24 -1.58 -0.61 115.58 118.10 1c89 h ASN 78 Ca 0.17 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.14 1c89 h ASN 78 Cb 1.01 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.06 1c89 h ASN 78 CO 1.35 0.00 -0.02 0.00 -1.29 0.00 0.00 177.43 177.47 1c89 n GLN 79 N -4.22 1.46 -3.83 6.67 1.13 -1.25 -1.96 117.38 115.36 1c89 n GLN 79 Ca 0.03 -0.25 -0.37 0.00 -1.94 0.00 0.00 57.00 54.47 1c89 n GLN 79 Cb 0.33 0.03 -0.06 0.00 0.11 0.00 0.00 30.24 30.64 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1c89 s LEU 80 N 0.00 4.35 -0.31 1.08 0.20 -1.25 -3.71 118.68 119.04 1c89 s LEU 80 Ca 0.02 0.42 0.03 0.00 0.69 0.00 0.00 54.13 55.29 1c89 s LEU 80 Cb -0.00 -2.09 0.09 0.00 -0.43 0.00 0.00 46.19 43.76 1c89 s LEU 80 CO 0.01 0.35 -0.00 -0.63 -0.29 0.00 0.00 176.35 175.79 1c89 s ILE 81 N -0.68 2.13 -0.23 6.68 1.01 -0.08 -4.96 121.20 125.07 1c89 s ILE 81 Ca 0.13 -2.01 -0.29 0.00 0.00 0.00 0.00 60.65 58.48 1c89 s ILE 81 Cb -0.12 -2.45 -0.00 0.00 0.01 0.00 0.00 42.46 39.89 1c89 s ILE 81 CO 0.03 -0.40 1.24 -2.16 0.00 0.00 0.00 174.94 173.65 1c89 s PRO 82 N 1.03 4.12 0.00 2.79 0.04 -1.26 0.11 135.00 141.82 1c89 s PRO 82 Ca 0.04 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1c89 s PRO 82 Cb -0.19 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1c89 s PRO 82 CO -0.08 -0.85 0.00 -0.89 0.04 0.00 0.00 177.00 175.22 1c89 n ILE 83 N 5.68 0.00 -2.72 0.56 2.08 -1.26 -3.82 119.36 119.89 1c89 n ILE 83 Ca 0.14 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.38 1c89 n ILE 83 Cb 0.46 0.00 0.01 0.00 -0.75 0.00 0.00 39.64 39.36 1c89 n ILE 83 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1c89 n ASN 84 N 0.09 -7.45 -3.49 4.38 5.03 0.12 -4.95 115.26 109.00 1c89 n ASN 84 Ca 0.00 0.55 -0.22 0.00 0.87 0.00 0.00 54.58 55.78 1c89 n ASN 84 Cb 0.00 -5.02 -0.13 0.00 -1.02 0.00 0.00 39.78 33.61 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1c89 s THR 85 N -2.40 -0.25 -0.85 3.41 2.01 -1.25 -4.79 115.64 111.51 1c89 s THR 85 Ca 0.21 -0.44 -0.20 0.00 0.31 0.00 0.00 61.69 61.57 1c89 s THR 85 Cb -0.06 -0.87 -0.21 0.00 0.01 0.00 0.00 72.50 71.37 1c89 s THR 85 CO 0.70 -0.46 2.35 0.00 -0.69 0.00 0.00 174.62 176.52 1c89 n ALA 86 N 5.29 0.67 -2.32 7.40 0.00 -1.24 -4.12 120.51 126.19 1c89 n ALA 86 Ca -0.05 -1.02 -0.37 0.00 0.00 0.00 0.00 53.44 52.01 1c89 n ALA 86 Cb 0.46 -2.85 -0.06 0.00 0.00 0.00 0.00 19.45 17.00 1c89 n ALA 86 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1c89 s LEU 87 N 8.59 4.44 0.00 0.00 2.34 -0.63 -4.68 118.68 128.73 1c89 s LEU 87 Ca 1.12 1.16 0.00 0.00 0.06 0.00 0.00 54.13 56.48 1c89 s LEU 87 Cb -0.51 -3.05 0.00 0.00 -0.56 0.00 0.00 46.19 42.06 1c89 s LEU 87 CO 0.32 0.20 0.01 0.35 -1.06 0.00 0.00 176.35 176.17 1c89 n THR 88 N 1.29 0.00 -0.31 5.48 -2.24 -1.26 0.20 114.28 117.45 1c89 n THR 88 Ca -0.08 -2.48 0.35 0.00 -2.27 0.00 0.00 64.05 59.56 1c89 n THR 88 Cb 0.51 0.49 0.75 0.00 -2.10 0.00 0.00 70.33 69.98 1c89 n THR 88 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1c89 h LEU 89 N 0.00 0.00 -0.52 3.22 -0.00 -1.95 0.23 115.31 116.29 1c89 h LEU 89 Ca -0.44 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.46 1c89 h LEU 89 Cb 1.32 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.95 1c89 h LEU 89 CO 0.72 0.00 0.33 1.62 -0.00 0.00 0.00 178.44 181.11 1c89 h VAL 90 N 0.00 1.09 0.00 0.15 3.04 -2.02 -2.40 116.25 116.12 1c89 h VAL 90 Ca 0.55 -0.23 -0.05 0.00 -1.01 0.00 0.00 66.70 65.96 1c89 h VAL 90 Cb 2.23 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 31.87 1c89 h VAL 90 CO -0.01 0.12 -0.70 0.24 -1.01 0.00 0.00 177.57 176.21 1c89 h MET 91 N 0.66 0.00 -5.73 4.17 2.86 -1.03 -3.45 114.93 112.42 1c89 h MET 91 Ca 0.20 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.25 1c89 h MET 91 Cb -0.03 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.54 1c89 h MET 91 CO -0.07 0.14 0.12 1.41 1.06 0.00 0.00 176.91 179.58 1c89 s MET 92 N -3.17 4.26 -0.28 1.72 -2.45 0.05 -1.81 119.30 117.61 1c89 s MET 92 Ca 0.02 0.67 0.02 0.00 -1.25 0.00 0.00 55.69 55.16 1c89 s MET 92 Cb 0.08 -3.55 0.08 0.00 1.25 0.00 0.00 34.83 32.68 1c89 s MET 92 CO 0.75 -0.18 -0.03 0.15 1.05 0.00 0.00 175.02 176.76 1c89 s LYS 93 N 1.71 1.70 -0.75 4.11 1.02 0.25 -4.71 119.74 123.06 1c89 s LYS 93 Ca 0.30 -1.38 -0.27 0.00 0.02 0.00 0.00 55.97 54.65 1c89 s LYS 93 Cb -0.16 -2.82 0.03 0.00 -0.52 0.00 0.00 37.83 34.36 1c89 s LYS 93 CO 0.11 -0.73 1.27 0.00 -0.92 0.00 0.00 175.35 175.08 1c89 s ALA 94 N 1.17 2.77 0.07 5.17 0.00 -1.26 -0.50 121.76 129.18 1c89 s ALA 94 Ca -0.00 -1.44 0.08 0.00 0.00 0.00 0.00 51.96 50.60 1c89 s ALA 94 Cb -0.19 -4.25 -0.03 0.00 0.00 0.00 0.00 23.12 18.65 1c89 s ALA 94 CO -0.08 -3.27 -0.23 -1.83 0.00 0.00 0.00 175.76 170.35 1c89 s GLU 95 N 5.60 1.42 -0.69 0.00 -1.05 -0.21 -4.72 118.70 119.05 1c89 s GLU 95 Ca 0.35 -1.09 -0.26 0.00 -0.15 0.00 0.00 54.97 53.82 1c89 s GLU 95 Cb -0.08 -1.64 -0.03 0.00 -0.44 0.00 0.00 34.13 31.93 1c89 s GLU 95 CO 0.14 0.41 1.91 -2.00 0.95 0.00 0.00 175.26 176.66 1c89 s GLU 96 N -1.48 2.58 0.07 -4.83 -6.30 -1.26 -2.05 118.70 105.42 1c89 s GLU 96 Ca 0.09 0.39 -0.07 0.00 -2.50 0.00 0.00 54.97 52.88 1c89 s GLU 96 Cb -0.09 -4.58 -0.01 0.00 0.00 0.00 0.00 34.13 29.45 1c89 s GLU 96 CO 0.03 -2.94 0.14 0.54 0.02 0.00 0.00 175.26 173.05 1c89 s VAL 97 N 9.50 0.15 0.16 3.70 0.11 -1.26 -4.18 120.40 128.57 1c89 s VAL 97 Ca 0.69 -1.23 0.07 0.00 -2.93 0.00 0.00 61.98 58.58 1c89 s VAL 97 Cb -0.11 -1.25 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 1c89 s VAL 97 CO 0.15 -0.68 0.01 -0.55 -3.33 0.00 0.00 175.10 170.70 1c89 s SER 98 N -2.66 4.87 0.41 3.54 0.15 -1.26 -3.56 113.70 115.19 1c89 s SER 98 Ca 0.02 -0.33 -0.22 0.00 0.70 0.00 0.00 55.95 56.12 1c89 s SER 98 Cb 0.04 -1.08 -0.11 0.00 -1.71 0.00 0.00 66.02 63.16 1c89 s SER 98 CO -0.09 0.11 0.95 -2.16 1.20 0.00 0.00 173.24 173.25 1c89 s PRO 99 N -2.81 4.30 -0.27 5.44 0.04 -1.26 -4.80 135.00 135.64 1c89 s PRO 99 Ca 0.27 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 1c89 s PRO 99 Cb -0.10 -2.34 -0.00 0.00 0.04 0.00 0.00 34.50 32.10 1c89 s PRO 99 CO 0.19 0.03 1.28 -1.59 0.04 0.00 0.00 177.00 176.94 1c89 s LYS 100 N -2.89 3.99 0.00 4.56 0.00 -1.23 -4.94 119.74 119.23 1c89 s LYS 100 Ca 0.59 1.32 0.00 0.00 0.00 0.00 0.00 55.97 57.88 1c89 s LYS 100 Cb -0.12 -3.84 0.00 0.00 0.00 0.00 0.00 37.83 33.87 1c89 s LYS 100 CO 0.16 -1.02 0.00 0.41 0.00 0.00 0.00 175.35 174.91 1c89 n GLY 101 N 4.13 0.85 3.52 0.59 0.00 -1.24 -4.99 105.19 108.04 1c89 n GLY 101 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1c89 n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c89 s ILE 102 N 0.32 3.86 0.66 -0.61 1.01 -0.08 -4.79 121.20 121.57 1c89 s ILE 102 Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 1c89 s ILE 102 Cb 0.00 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 1c89 s ILE 102 CO 0.00 0.52 1.06 -2.16 0.00 0.00 0.00 174.94 174.36 1c89 s PRO 103 N 0.11 3.04 -0.15 2.79 0.04 -1.26 -2.18 135.00 137.39 1c89 s PRO 103 Ca -0.01 1.10 -0.04 0.00 0.04 0.00 0.00 61.00 62.09 1c89 s PRO 103 Cb -0.14 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 1c89 s PRO 103 CO 0.03 -1.03 2.94 -1.13 0.04 0.00 0.00 177.00 177.85 1c89 n SER 104 N -2.65 5.70 0.02 6.66 3.41 -1.26 -4.27 113.62 121.23 1c89 n SER 104 Ca 0.08 -2.71 -0.16 0.00 -0.26 0.00 0.00 58.87 55.82 1c89 n SER 104 Cb 0.53 -1.28 -0.14 0.00 -0.26 0.00 0.00 64.21 63.06 1c89 n SER 104 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1c89 h GLU 105 N 2.46 0.19 -0.04 4.33 4.11 -1.96 -3.38 114.58 120.29 1c89 h GLU 105 Ca 0.22 -0.32 0.00 0.00 0.07 0.00 0.00 59.36 59.32 1c89 h GLU 105 Cb 1.16 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1c89 h GLU 105 CO 0.40 0.99 0.00 -0.85 0.07 0.00 0.00 179.01 179.62 1c89 n GLU 106 N -3.36 0.65 -0.22 1.06 0.28 -1.26 -4.58 120.64 113.22 1c89 n GLU 106 Ca -0.22 -1.19 0.10 0.00 -0.16 0.00 0.00 57.16 55.69 1c89 n GLU 106 Cb 1.05 -1.20 0.37 0.00 1.43 0.00 0.00 31.44 33.09 1c89 n GLU 106 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 1c89 h ILE 107 N 1.97 0.92 -0.99 3.84 6.09 -1.81 -0.84 117.51 126.70 1c89 h ILE 107 Ca 0.00 -0.24 0.20 0.00 -1.37 0.00 0.00 64.86 63.45 1c89 h ILE 107 Cb 0.45 0.15 -0.10 0.00 0.47 0.00 0.00 36.82 37.80 1c89 h ILE 107 CO 0.00 0.13 0.62 0.77 -3.07 0.00 0.00 178.15 176.60 1c89 h SER 108 N 0.71 0.68 1.03 2.19 4.64 -1.83 0.57 113.55 121.54 1c89 h SER 108 Ca 0.38 0.09 -0.19 0.00 -0.47 0.00 0.00 61.79 61.59 1c89 h SER 108 Cb 0.51 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1c89 h SER 108 CO -0.15 0.23 -1.00 0.50 -0.87 0.00 0.00 176.83 175.54 1c89 h LYS 109 N 0.65 0.00 -0.63 4.77 1.63 -1.51 -3.24 116.57 118.24 1c89 h LYS 109 Ca 0.57 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.37 1c89 h LYS 109 Cb 1.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 1c89 h LYS 109 CO -0.34 0.76 0.00 1.28 -3.45 0.00 0.00 179.45 177.70 1c89 n LEU 110 N -3.25 3.92 -4.73 5.20 4.77 0.23 -4.96 117.00 118.18 1c89 n LEU 110 Ca -0.02 -1.97 -0.42 0.00 -0.03 0.00 0.00 56.01 53.56 1c89 n LEU 110 Cb 0.90 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 1c89 n LEU 110 CO 0.45 0.74 1.31 0.52 -1.33 0.00 0.00 177.39 179.08 1c89 n VAL 111 N 1.05 0.54 -1.46 4.08 0.31 0.18 -1.41 118.33 121.62 1c89 n VAL 111 Ca 0.22 -0.13 -0.08 0.00 -0.01 0.00 0.00 64.34 64.33 1c89 n VAL 111 Cb 0.71 -1.98 -0.03 0.00 -0.91 0.00 0.00 33.84 31.63 1c89 n VAL 111 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c89 n GLY 112 N 3.02 0.76 3.84 2.92 0.00 0.55 -4.91 105.19 111.38 1c89 n GLY 112 Ca 0.12 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 1c89 n GLY 112 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1c89 s MET 113 N -3.09 3.97 -0.16 1.61 0.00 -0.50 -4.21 119.30 116.91 1c89 s MET 113 Ca 0.00 0.88 -0.18 0.00 0.00 0.00 0.00 55.69 56.39 1c89 s MET 113 Cb 0.00 -2.21 -0.04 0.00 0.00 0.00 0.00 34.83 32.58 1c89 s MET 113 CO 0.00 -0.16 0.46 -0.65 0.00 0.00 0.00 175.02 174.68 1c89 s GLN 114 N -3.80 4.26 0.70 3.16 -0.21 -1.26 -1.61 119.66 120.89 1c89 s GLN 114 Ca 0.58 0.37 -0.10 0.00 0.02 0.00 0.00 55.36 56.22 1c89 s GLN 114 Cb -0.10 -3.49 0.02 0.00 1.00 0.00 0.00 33.01 30.44 1c89 s GLN 114 CO 0.27 0.03 1.07 0.54 -2.12 0.00 0.00 175.29 175.08 1c89 s VAL 115 N 1.07 3.33 -0.11 1.09 0.11 -1.26 -4.73 120.40 119.90 1c89 s VAL 115 Ca 0.23 0.33 0.20 0.00 -2.93 0.00 0.00 61.98 59.82 1c89 s VAL 115 Cb -0.15 -3.41 -0.30 0.00 -1.53 0.00 0.00 36.38 30.99 1c89 s VAL 115 CO 0.09 -0.52 0.29 0.59 -3.33 0.00 0.00 175.10 172.22 1c89 n ASN 116 N -2.96 0.02 -4.55 3.54 4.13 -1.26 0.14 115.26 114.31 1c89 n ASN 116 Ca 0.07 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.08 1c89 n ASN 116 Cb 0.58 1.53 -0.09 0.00 -1.54 0.00 0.00 39.78 40.25 1c89 n ASN 116 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1c89 s ARG 117 N -3.03 1.98 0.07 3.52 1.04 -1.26 -4.40 118.95 116.86 1c89 s ARG 117 Ca -0.09 -1.48 -0.30 0.00 -1.04 0.00 0.00 55.73 52.82 1c89 s ARG 117 Cb 0.10 -2.02 -0.05 0.00 -2.04 0.00 0.00 34.95 30.94 1c89 s ARG 117 CO 0.87 0.38 1.01 0.00 -0.04 0.00 0.00 175.30 177.52 1c89 s ALA 118 N -2.12 3.24 0.08 7.88 0.00 -1.26 -4.03 121.76 125.56 1c89 s ALA 118 Ca 0.28 0.62 0.05 0.00 0.00 0.00 0.00 51.96 52.91 1c89 s ALA 118 Cb -0.07 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1c89 s ALA 118 CO 0.16 -0.18 -0.02 0.08 0.00 0.00 0.00 175.76 175.80 1c89 s VAL 119 N 0.53 3.88 0.00 0.00 1.01 0.29 -4.85 120.40 121.26 1c89 s VAL 119 Ca 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1c89 s VAL 119 Cb -0.24 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1c89 s VAL 119 CO 0.30 0.16 0.00 -1.22 0.00 0.00 0.00 175.10 174.33 1c89 n TYR 120 N 0.72 -2.26 0.00 5.22 4.01 -1.26 -0.90 117.16 122.69 1c89 n TYR 120 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 1c89 n TYR 120 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1c89 n TYR 120 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1c89 n LEU 121 N 0.00 0.00 -4.40 7.72 7.99 -1.24 -3.93 117.00 123.14 1c89 n LEU 121 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 56.01 55.85 1c89 n LEU 121 Cb 0.00 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.16 1c89 n LEU 121 CO 0.00 0.00 1.64 -0.67 -1.51 0.00 0.00 177.39 176.85 1c89 n ASP 122 N 0.00 -0.93 -4.47 -1.43 -0.08 -0.36 -4.46 116.55 104.82 1c89 n ASP 122 Ca 0.00 -1.01 -0.26 0.00 -1.51 0.00 0.00 54.79 52.00 1c89 n ASP 122 Cb 0.00 -0.79 -0.11 0.00 2.34 0.00 0.00 41.12 42.56 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1c89 s GLN 123 N 6.92 1.70 0.15 -0.67 0.74 -0.48 -3.95 119.66 124.07 1c89 s GLN 123 Ca 0.92 -1.48 -0.30 0.00 0.05 0.00 0.00 55.36 54.55 1c89 s GLN 123 Cb -0.49 -1.93 -0.07 0.00 1.10 0.00 0.00 33.01 31.62 1c89 s GLN 123 CO 0.34 0.40 1.00 0.99 -0.55 0.00 0.00 175.29 177.47 1c89 s THR 124 N -1.78 4.24 0.03 -0.34 2.01 -1.26 0.98 115.64 119.51 1c89 s THR 124 Ca 0.23 1.94 -0.30 0.00 0.31 0.00 0.00 61.69 63.87 1c89 s THR 124 Cb -0.08 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 1c89 s THR 124 CO 0.12 0.34 1.11 -0.22 -0.69 0.00 0.00 174.62 175.28 1c89 s LEU 125 N -0.33 4.36 0.29 4.42 2.96 0.38 -4.83 118.68 125.94 1c89 s LEU 125 Ca 0.46 1.86 0.11 0.00 -0.22 0.00 0.00 54.13 56.35 1c89 s LEU 125 Cb -0.26 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.81 1c89 s LEU 125 CO 0.32 -0.39 -0.17 -0.04 -1.32 0.00 0.00 176.35 174.74 1c89 s MET 126 N 1.12 1.70 0.21 1.98 -1.94 -1.26 -0.90 119.30 120.21 1c89 s MET 126 Ca 0.56 -1.80 0.02 0.00 -1.71 0.00 0.00 55.69 52.75 1c89 s MET 126 Cb -0.26 -1.73 0.17 0.00 2.01 0.00 0.00 34.83 35.02 1c89 s MET 126 CO 0.28 0.28 1.51 -1.00 -0.01 0.00 0.00 175.02 176.08 1c89 h PRO 127 N 2.22 0.33 0.00 2.03 0.13 -1.93 -2.78 132.00 132.00 1c89 h PRO 127 Ca -0.40 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1c89 h PRO 127 Cb 1.26 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1c89 h PRO 127 CO 0.62 0.86 0.00 -3.47 -0.23 0.00 0.00 178.00 175.78 1c89 n ASP 128 N -3.87 0.00 -0.06 1.44 -0.08 -1.26 -3.48 116.55 109.24 1c89 n ASP 128 Ca -0.03 0.27 -0.08 0.00 -1.51 0.00 0.00 54.79 53.43 1c89 n ASP 128 Cb 0.65 -0.40 -0.07 0.00 2.34 0.00 0.00 41.12 43.64 1c89 n ASP 128 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 1c89 h MET 129 N 0.00 0.00 -6.24 -0.67 4.05 -1.91 -3.44 114.93 106.72 1c89 h MET 129 Ca 0.00 0.00 -0.56 0.00 -0.28 0.00 0.00 59.70 58.86 1c89 h MET 129 Cb 0.28 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 1c89 h MET 129 CO 0.00 0.53 0.75 0.08 0.23 0.00 0.00 176.91 178.50 1c89 s VAL 130 N -1.95 4.36 0.08 -5.77 1.01 -1.23 -4.51 120.40 112.39 1c89 s VAL 130 Ca -0.12 1.67 -0.04 0.00 0.00 0.00 0.00 61.98 63.49 1c89 s VAL 130 Cb -0.01 -4.07 -0.27 0.00 0.00 0.00 0.00 36.38 32.02 1c89 s VAL 130 CO 0.37 -0.05 1.16 0.11 0.00 0.00 0.00 175.10 176.68 1c89 h LYS 131 N 7.62 0.27 -1.59 2.72 1.79 -1.85 -3.29 116.57 122.24 1c89 h LYS 131 Ca -0.30 -0.45 -0.48 0.00 -2.18 0.00 0.00 60.65 57.24 1c89 h LYS 131 Cb 1.13 0.17 -0.19 0.00 -1.58 0.00 0.00 32.23 31.76 1c89 h LYS 131 CO 0.91 1.21 0.55 -1.71 -1.08 0.00 0.00 179.45 179.33 1c89 n ASN 132 N -3.55 6.80 -4.75 0.86 5.15 -1.26 -4.96 115.26 113.56 1c89 n ASN 132 Ca -0.08 -3.31 -0.40 0.00 -0.60 0.00 0.00 54.58 50.19 1c89 n ASN 132 Cb 1.01 -1.09 -0.06 0.00 -0.53 0.00 0.00 39.78 39.11 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1c89 s TYR 133 N -2.36 3.90 -1.35 1.20 5.04 -1.24 -5.19 117.35 117.34 1c89 s TYR 133 Ca 0.47 1.86 0.11 0.00 -2.44 0.00 0.00 57.07 57.07 1c89 s TYR 133 Cb 0.35 -3.04 0.09 0.00 0.35 0.00 0.00 41.96 39.70 1c89 s TYR 133 CO -0.10 0.24 0.84 -0.85 -1.34 0.00 0.00 175.55 174.35