#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 1.59 0.59 1.20 1.02 -1.26 -5.01 119.74 117.87 1c89 s LYS 2 Ca 0.00 -0.63 -0.15 0.00 0.02 0.00 0.00 55.97 55.21 1c89 s LYS 2 Cb 0.00 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 1c89 s LYS 2 CO 0.00 -1.62 1.04 0.00 -0.92 0.00 0.00 175.35 173.85 1c89 s ALA 3 N -3.37 2.84 0.28 5.17 0.00 -1.26 -4.66 121.76 120.76 1c89 s ALA 3 Ca 0.66 0.24 0.09 0.00 0.00 0.00 0.00 51.96 52.96 1c89 s ALA 3 Cb -0.07 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1c89 s ALA 3 CO 0.47 -0.73 0.00 0.45 0.00 0.00 0.00 175.76 175.95 1c89 s SER 4 N -3.16 4.49 -0.65 0.00 0.15 0.23 -3.59 113.70 111.18 1c89 s SER 4 Ca 0.61 -0.70 -0.25 0.00 0.70 0.00 0.00 55.95 56.31 1c89 s SER 4 Cb -0.14 -0.79 0.05 0.00 -1.71 0.00 0.00 66.02 63.43 1c89 s SER 4 CO 0.40 -0.04 1.08 -0.69 1.20 0.00 0.00 173.24 175.19 1c89 s VAL 5 N -2.36 4.12 -0.14 4.45 1.01 -0.88 -2.45 120.40 124.15 1c89 s VAL 5 Ca 0.32 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.45 1c89 s VAL 5 Cb -0.06 -4.73 -0.00 0.00 0.00 0.00 0.00 36.38 31.59 1c89 s VAL 5 CO 0.20 -1.50 -0.18 -0.69 0.00 0.00 0.00 175.10 172.93 1c89 s VAL 6 N 4.65 2.47 0.21 2.92 1.01 -0.69 -0.48 120.40 130.50 1c89 s VAL 6 Ca 0.30 -0.85 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 1c89 s VAL 6 Cb -0.12 -2.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.14 1c89 s VAL 6 CO 0.15 0.53 1.48 0.00 0.00 0.00 0.00 175.10 177.26 1c89 s ALA 7 N 0.65 3.68 -0.10 5.51 0.00 0.34 -0.96 121.76 130.88 1c89 s ALA 7 Ca -0.09 1.33 -0.17 0.00 0.00 0.00 0.00 51.96 53.03 1c89 s ALA 7 Cb -0.16 -3.58 -0.28 0.00 0.00 0.00 0.00 23.12 19.10 1c89 s ALA 7 CO 0.02 -0.75 0.61 -0.97 0.00 0.00 0.00 175.76 174.67 1c89 h ASN 8 N 5.73 0.39 -2.13 0.00 -1.24 -1.11 0.32 115.58 117.54 1c89 h ASN 8 Ca -0.45 -0.86 -0.46 0.00 0.71 0.00 0.00 56.30 55.24 1c89 h ASN 8 Cb 1.21 -0.13 0.07 0.00 0.73 0.00 0.00 38.32 40.21 1c89 h ASN 8 CO 0.83 1.59 0.07 0.00 -1.29 0.00 0.00 177.43 178.63 1c89 s GLN 9 N -2.47 1.85 -0.21 6.67 -2.07 -1.26 -2.80 119.66 119.37 1c89 s GLN 9 Ca -0.19 -1.09 -0.20 0.00 -1.82 0.00 0.00 55.36 52.06 1c89 s GLN 9 Cb 0.04 -2.37 -0.02 0.00 -1.09 0.00 0.00 33.01 29.56 1c89 s GLN 9 CO 0.77 -1.30 0.61 -1.17 -1.32 0.00 0.00 175.29 172.89 1c89 s LEU 10 N -5.06 4.12 -0.04 2.60 0.20 -1.26 -4.31 118.68 114.94 1c89 s LEU 10 Ca 0.65 0.77 0.02 0.00 0.69 0.00 0.00 54.13 56.26 1c89 s LEU 10 Cb -0.06 -2.85 -0.03 0.00 -0.43 0.00 0.00 46.19 42.81 1c89 s LEU 10 CO 0.43 -0.29 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.50 1c89 s ILE 11 N 2.05 3.67 0.00 6.68 1.01 0.58 -4.95 121.20 130.25 1c89 s ILE 11 Ca 0.27 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1c89 s ILE 11 Cb -0.16 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.77 1c89 s ILE 11 CO 0.10 0.51 0.00 -0.81 0.00 0.00 0.00 174.94 174.74 1c89 n PRO 12 N 1.94 0.43 -2.60 2.79 -0.04 -1.26 0.25 135.00 136.50 1c89 n PRO 12 Ca -0.17 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.01 1c89 n PRO 12 Cb 0.53 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.35 4.87 -1.10 0.52 1.09 -1.26 -3.93 121.20 121.04 1c89 s ILE 13 Ca 0.00 0.33 -0.23 0.00 -1.10 0.00 0.00 60.65 59.66 1c89 s ILE 13 Cb 0.00 -3.84 0.01 0.00 -1.06 0.00 0.00 42.46 37.57 1c89 s ILE 13 CO 0.00 -0.82 0.72 0.59 -0.10 0.00 0.00 174.94 175.33 1c89 n ASN 14 N -2.14 -4.95 -3.95 3.58 3.02 -0.76 -4.86 115.26 105.21 1c89 n ASN 14 Ca 0.01 -1.07 -0.26 0.00 -0.03 0.00 0.00 54.58 53.23 1c89 n ASN 14 Cb 0.55 -2.58 -0.17 0.00 -0.61 0.00 0.00 39.78 36.97 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 -3.40 1.07 -0.62 3.41 2.01 -1.26 -4.78 115.64 112.08 1c89 s THR 15 Ca 0.40 -0.36 -0.26 0.00 0.31 0.00 0.00 61.69 61.78 1c89 s THR 15 Cb -0.18 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 1c89 s THR 15 CO 0.90 0.37 2.00 0.00 -0.69 0.00 0.00 174.62 177.20 1c89 s ALA 16 N 1.38 1.97 0.61 7.40 0.00 -1.25 -3.83 121.76 128.03 1c89 s ALA 16 Ca -0.01 -0.60 -0.18 0.00 0.00 0.00 0.00 51.96 51.17 1c89 s ALA 16 Cb -0.14 -4.35 -0.10 0.00 0.00 0.00 0.00 23.12 18.54 1c89 s ALA 16 CO -0.05 -4.16 0.25 1.28 0.00 0.00 0.00 175.76 173.08 1c89 n LEU 17 N 13.69 -0.95 -4.52 0.00 4.77 -1.07 -4.33 117.00 124.60 1c89 n LEU 17 Ca 0.26 0.65 -0.25 0.00 -0.03 0.00 0.00 56.01 56.64 1c89 n LEU 17 Cb 0.52 -1.06 -0.10 0.00 -2.33 0.00 0.00 43.42 40.45 1c89 n LEU 17 CO 0.70 -3.77 -0.42 0.42 -1.33 0.00 0.00 177.39 172.99 1c89 s THR 18 N -1.86 2.33 0.17 -5.08 -4.23 -1.26 0.82 115.64 106.54 1c89 s THR 18 Ca 0.63 -2.28 -0.14 0.00 -1.18 0.00 0.00 61.69 58.72 1c89 s THR 18 Cb -0.42 -2.52 0.06 0.00 1.34 0.00 0.00 72.50 70.96 1c89 s THR 18 CO 0.60 -0.27 1.81 -0.07 -0.54 0.00 0.00 174.62 176.15 1c89 h LEU 19 N 2.11 0.46 -0.24 4.79 3.38 -1.94 0.62 115.31 124.49 1c89 h LEU 19 Ca -0.41 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.61 1c89 h LEU 19 Cb 1.25 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1c89 h LEU 19 CO 0.67 0.32 -0.00 0.40 0.09 0.00 0.00 178.44 179.92 1c89 h ILE 20 N 0.57 0.83 0.00 1.22 5.03 -2.02 -0.55 117.51 122.59 1c89 h ILE 20 Ca 0.20 -0.02 0.00 0.00 -0.12 0.00 0.00 64.86 64.92 1c89 h ILE 20 Cb 0.04 0.75 0.00 0.00 -3.03 0.00 0.00 36.82 34.58 1c89 h ILE 20 CO -0.10 0.01 0.00 0.24 -0.68 0.00 0.00 178.15 177.62 1c89 h MET 21 N 0.07 0.00 -5.69 2.37 2.86 -1.88 -3.42 114.93 109.24 1c89 h MET 21 Ca 0.11 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.15 1c89 h MET 21 Cb 0.15 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.71 1c89 h MET 21 CO -0.19 0.00 0.36 -1.64 1.06 0.00 0.00 176.91 176.49 1c89 s MET 22 N -3.40 4.14 -0.30 1.72 -1.94 0.18 -0.51 119.30 119.19 1c89 s MET 22 Ca 0.04 0.78 -0.05 0.00 -1.71 0.00 0.00 55.69 54.75 1c89 s MET 22 Cb 0.09 -3.65 0.03 0.00 2.01 0.00 0.00 34.83 33.31 1c89 s MET 22 CO 0.48 -0.49 0.04 0.15 -0.01 0.00 0.00 175.02 175.19 1c89 s LYS 23 N 2.73 2.80 -1.46 2.03 -0.14 -0.14 -4.89 119.74 120.68 1c89 s LYS 23 Ca 0.32 -1.04 -0.12 0.00 -1.36 0.00 0.00 55.97 53.76 1c89 s LYS 23 Cb -0.15 -3.28 0.04 0.00 -1.68 0.00 0.00 37.83 32.76 1c89 s LYS 23 CO 0.08 -0.52 2.30 0.00 -0.76 0.00 0.00 175.35 176.45 1c89 n ALA 24 N 4.77 5.90 -2.88 5.17 0.00 -1.25 -1.70 120.51 130.52 1c89 n ALA 24 Ca -0.14 -3.90 -0.25 0.00 0.00 0.00 0.00 53.44 49.15 1c89 n ALA 24 Cb 0.46 -3.40 -0.04 0.00 0.00 0.00 0.00 19.45 16.47 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 2.45 3.16 -1.21 0.00 2.12 -1.03 -4.54 118.70 119.65 1c89 s GLU 25 Ca 0.50 -0.80 -0.15 0.00 0.36 0.00 0.00 54.97 54.89 1c89 s GLU 25 Cb 0.14 -2.77 0.15 0.00 0.26 0.00 0.00 34.13 31.91 1c89 s GLU 25 CO -0.07 0.47 1.47 0.08 -0.54 0.00 0.00 175.26 176.68 1c89 s VAL 26 N -1.84 4.89 0.41 3.70 1.01 -1.26 0.76 120.40 128.07 1c89 s VAL 26 Ca 0.33 -2.50 0.04 0.00 0.00 0.00 0.00 61.98 59.85 1c89 s VAL 26 Cb -0.10 -4.95 -0.05 0.00 0.00 0.00 0.00 36.38 31.28 1c89 s VAL 26 CO 0.26 -1.68 0.04 0.68 0.00 0.00 0.00 175.10 174.40 1c89 s VAL 27 N 2.01 1.37 0.20 2.92 -7.23 -1.26 -4.95 120.40 113.44 1c89 s VAL 27 Ca 0.44 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.68 1c89 s VAL 27 Cb -0.02 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1c89 s VAL 27 CO 0.01 0.00 0.09 0.42 -0.31 0.00 0.00 175.10 175.31 1c89 s THR 28 N -2.98 4.14 0.52 5.32 -4.23 -1.26 -3.78 115.64 113.37 1c89 s THR 28 Ca 0.27 -1.34 -0.18 0.00 -1.18 0.00 0.00 61.69 59.25 1c89 s THR 28 Cb 0.06 -3.14 -0.07 0.00 1.34 0.00 0.00 72.50 70.69 1c89 s THR 28 CO 0.13 -0.19 1.03 -2.16 -0.54 0.00 0.00 174.62 172.89 1c89 s PRO 29 N -3.28 3.70 -0.78 3.99 0.04 -1.26 -4.99 135.00 132.41 1c89 s PRO 29 Ca 0.30 1.22 -0.21 0.00 0.04 0.00 0.00 61.00 62.35 1c89 s PRO 29 Cb -0.09 -2.09 -0.15 0.00 0.04 0.00 0.00 34.50 32.21 1c89 s PRO 29 CO 0.22 -0.50 1.94 -1.33 0.04 0.00 0.00 177.00 177.37 1c89 n MET 30 N -1.41 1.55 0.00 4.56 2.81 -1.25 -4.86 117.12 118.52 1c89 n MET 30 Ca 0.08 -1.82 0.00 0.00 -1.81 0.00 0.00 57.70 54.16 1c89 n MET 30 Cb 0.53 -2.88 0.00 0.00 -0.71 0.00 0.00 33.22 30.16 1c89 n MET 30 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1c89 n GLY 31 N 4.46 -2.66 3.73 3.03 0.00 -1.26 -4.84 105.19 107.65 1c89 n GLY 31 Ca 0.49 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 4.59 0.58 -0.61 1.01 -1.06 -4.96 121.20 120.75 1c89 s ILE 32 Ca 0.00 2.00 -0.10 0.00 0.00 0.00 0.00 60.65 62.55 1c89 s ILE 32 Cb 0.00 -4.29 0.14 0.00 0.01 0.00 0.00 42.46 38.32 1c89 s ILE 32 CO 0.00 0.30 0.58 -0.81 0.00 0.00 0.00 174.94 175.01 1c89 n PRO 33 N 2.97 -1.67 -1.29 2.79 -0.04 -1.26 -2.08 135.00 134.41 1c89 n PRO 33 Ca 0.02 -0.92 -0.29 0.00 -0.04 0.00 0.00 63.50 62.27 1c89 n PRO 33 Cb 0.50 -0.78 0.12 0.00 -0.04 0.00 0.00 33.50 33.29 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 -3.79 5.92 0.22 0.55 0.00 -1.24 -4.35 120.51 117.82 1c89 n ALA 34 Ca -0.10 -3.25 -0.13 0.00 0.00 0.00 0.00 53.44 49.95 1c89 n ALA 34 Cb 0.29 -1.55 -0.07 0.00 0.00 0.00 0.00 19.45 18.12 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 1.57 -0.57 -1.01 0.00 4.81 -1.92 -3.18 114.58 114.28 1c89 h GLU 35 Ca 0.59 0.04 -0.40 0.00 -0.13 0.00 0.00 59.36 59.46 1c89 h GLU 35 Cb 1.68 0.13 -0.24 0.00 0.63 0.00 0.00 28.75 30.95 1c89 h GLU 35 CO 1.32 -0.26 0.51 0.39 -0.73 0.00 0.00 179.01 180.24 1c89 n GLU 36 N -5.22 1.96 -0.36 1.92 1.02 -1.26 -4.66 120.64 114.04 1c89 n GLU 36 Ca -0.10 -2.30 -0.02 0.00 -0.02 0.00 0.00 57.16 54.72 1c89 n GLU 36 Cb 0.30 -1.90 0.02 0.00 -0.02 0.00 0.00 31.44 29.84 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 0.77 0.02 0.00 -3.67 1.08 -1.86 2.24 117.51 116.10 1c89 h ILE 37 Ca 0.49 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.96 1c89 h ILE 37 Cb 2.37 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 36.14 1c89 h ILE 37 CO 0.86 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.51 1c89 n PRO 38 N -5.45 0.46 -0.11 2.37 -0.04 -1.26 -0.65 135.00 130.32 1c89 n PRO 38 Ca 0.09 0.03 -0.23 0.00 -0.04 0.00 0.00 63.50 63.34 1c89 n PRO 38 Cb 0.38 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.26 1c89 n PRO 38 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1c89 n ASN 39 N -1.05 1.56 0.01 3.54 5.15 0.74 -4.62 115.26 120.59 1c89 n ASN 39 Ca 0.12 0.26 0.12 0.00 -0.60 0.00 0.00 54.58 54.47 1c89 n ASN 39 Cb 0.07 -0.64 0.15 0.00 -0.53 0.00 0.00 39.78 38.83 1c89 n ASN 39 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c89 n LEU 40 N -3.96 0.62 -4.33 1.20 -0.00 0.07 -4.95 117.00 105.64 1c89 n LEU 40 Ca -0.43 -0.08 -0.37 0.00 -0.00 0.00 0.00 56.01 55.13 1c89 n LEU 40 Cb 0.81 -0.18 0.05 0.00 -0.00 0.00 0.00 43.42 44.10 1c89 n LEU 40 CO 0.03 0.13 -0.36 0.52 -0.00 0.00 0.00 177.39 177.71 1c89 n VAL 41 N -1.60 0.94 -0.93 1.47 0.31 0.18 -1.34 118.33 117.37 1c89 n VAL 41 Ca 0.05 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1c89 n VAL 41 Cb 0.35 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 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 2.16 0.49 3.73 2.92 0.00 0.24 -4.86 105.19 109.88 1c89 n GLY 42 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.49 4.38 0.31 1.61 0.00 -0.45 -3.83 119.30 120.83 1c89 s MET 43 Ca 0.00 2.02 -0.26 0.00 0.00 0.00 0.00 55.69 57.45 1c89 s MET 43 Cb 0.00 -3.22 -0.10 0.00 0.00 0.00 0.00 34.83 31.51 1c89 s MET 43 CO 0.00 -0.29 0.94 -0.65 0.00 0.00 0.00 175.02 175.02 1c89 s GLN 44 N 0.30 4.60 0.64 3.16 -0.21 -1.25 -2.59 119.66 124.29 1c89 s GLN 44 Ca 0.59 1.33 0.00 0.00 0.02 0.00 0.00 55.36 57.30 1c89 s GLN 44 Cb -0.36 -2.84 0.08 0.00 1.00 0.00 0.00 33.01 30.89 1c89 s GLN 44 CO 0.35 0.30 0.89 0.14 -2.12 0.00 0.00 175.29 174.85 1c89 s VAL 45 N -1.58 2.38 -0.12 1.09 -7.23 -1.25 -4.30 120.40 109.40 1c89 s VAL 45 Ca 0.49 -0.63 0.20 0.00 -1.81 0.00 0.00 61.98 60.23 1c89 s VAL 45 Cb -0.19 -2.76 -0.25 0.00 0.56 0.00 0.00 36.38 33.75 1c89 s VAL 45 CO 0.24 0.00 0.46 -3.20 -0.31 0.00 0.00 175.10 172.29 1c89 n ASN 46 N -2.59 0.23 -3.47 4.85 2.85 0.34 -1.83 115.26 115.65 1c89 n ASN 46 Ca 0.12 0.10 -0.21 0.00 -0.11 0.00 0.00 54.58 54.47 1c89 n ASN 46 Cb 0.60 1.21 -0.06 0.00 1.24 0.00 0.00 39.78 42.77 1c89 n ASN 46 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1c89 n ARG 47 N -2.57 0.66 -1.42 1.20 1.74 -1.26 -4.70 116.66 110.31 1c89 n ARG 47 Ca -0.14 -2.82 -0.32 0.00 -0.77 0.00 0.00 57.85 53.80 1c89 n ARG 47 Cb 0.81 1.50 0.08 0.00 -1.02 0.00 0.00 32.46 33.83 1c89 n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1c89 s ALA 48 N -2.89 2.29 -0.22 7.54 0.00 -1.26 -4.08 121.76 123.13 1c89 s ALA 48 Ca 0.16 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.55 1c89 s ALA 48 Cb 0.01 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.86 1c89 s ALA 48 CO 0.11 -1.64 -0.15 0.08 0.00 0.00 0.00 175.76 174.16 1c89 s VAL 49 N -2.64 2.16 1.16 0.00 1.01 0.71 -4.92 120.40 117.88 1c89 s VAL 49 Ca 0.64 -1.22 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 1c89 s VAL 49 Cb -0.19 -2.07 0.27 0.00 0.00 0.00 0.00 36.38 34.39 1c89 s VAL 49 CO 0.50 0.29 1.16 -2.16 0.00 0.00 0.00 175.10 174.90 1c89 s PRO 50 N 1.22 -0.90 0.10 2.72 0.04 -1.26 -0.31 135.00 136.61 1c89 s PRO 50 Ca -0.01 -0.19 -0.30 0.00 0.04 0.00 0.00 61.00 60.53 1c89 s PRO 50 Cb -0.16 -1.65 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 1c89 s PRO 50 CO -0.09 -3.47 1.17 -0.51 0.04 0.00 0.00 177.00 174.14 1c89 s LEU 51 N -6.72 4.40 -0.56 -3.56 1.43 -1.26 -3.19 118.68 109.22 1c89 s LEU 51 Ca 0.72 2.05 -0.03 0.00 -1.03 0.00 0.00 54.13 55.84 1c89 s LEU 51 Cb -0.08 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1c89 s LEU 51 CO 0.55 -0.40 0.42 0.61 0.23 0.00 0.00 176.35 177.76 1c89 n GLY 52 N 2.84 0.33 3.68 -3.19 0.00 0.10 -4.99 105.19 103.96 1c89 n GLY 52 Ca 0.07 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.05 4.93 0.84 2.61 2.01 -0.55 -4.73 115.64 117.71 1c89 s THR 53 Ca 0.21 1.54 -0.12 0.00 0.31 0.00 0.00 61.69 63.63 1c89 s THR 53 Cb -0.09 -4.09 0.09 0.00 0.01 0.00 0.00 72.50 68.42 1c89 s THR 53 CO 0.26 0.09 1.10 0.28 -0.69 0.00 0.00 174.62 175.66 1c89 s THR 54 N 1.82 2.78 -0.96 -0.82 -1.32 -1.26 0.13 115.64 116.00 1c89 s THR 54 Ca 0.37 0.25 -0.21 0.00 -1.21 0.00 0.00 61.69 60.90 1c89 s THR 54 Cb -0.17 -2.96 0.10 0.00 -1.51 0.00 0.00 72.50 67.96 1c89 s THR 54 CO 0.14 -0.33 1.25 -0.22 -2.21 0.00 0.00 174.62 173.25 1c89 s LEU 55 N -5.90 4.43 0.04 9.08 1.98 0.37 -4.78 118.68 123.90 1c89 s LEU 55 Ca 0.62 -1.78 0.01 0.00 -2.89 0.00 0.00 54.13 50.08 1c89 s LEU 55 Cb -0.15 -2.47 -0.04 0.00 0.66 0.00 0.00 46.19 44.19 1c89 s LEU 55 CO 0.54 -1.25 0.12 0.00 -1.89 0.00 0.00 176.35 173.88 1c89 s MET 56 N 3.62 3.13 0.02 1.98 0.23 -1.26 -2.56 119.30 124.46 1c89 s MET 56 Ca 0.38 -0.54 0.19 0.00 -1.03 0.00 0.00 55.69 54.69 1c89 s MET 56 Cb -0.03 -2.88 0.82 0.00 -1.53 0.00 0.00 34.83 31.21 1c89 s MET 56 CO -0.09 0.61 1.62 -0.35 -2.03 0.00 0.00 175.02 174.78 1c89 n PRO 57 N 0.64 0.01 -0.05 3.16 -0.04 -1.26 -3.03 135.00 134.44 1c89 n PRO 57 Ca -0.09 0.18 -0.12 0.00 -0.04 0.00 0.00 63.50 63.43 1c89 n PRO 57 Cb 0.52 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 1c89 n PRO 57 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1c89 h ASP 58 N 0.00 0.28 -0.54 3.54 3.32 -1.99 -3.10 116.42 117.93 1c89 h ASP 58 Ca 0.00 -0.36 -0.08 0.00 0.02 0.00 0.00 57.03 56.61 1c89 h ASP 58 Cb 0.34 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 1c89 h ASP 58 CO 0.00 0.58 0.08 0.23 -1.72 0.00 0.00 179.24 178.41 1c89 n MET 59 N -4.71 3.94 -4.11 3.56 2.81 -1.21 -4.89 117.12 112.52 1c89 n MET 59 Ca -0.06 -3.07 -0.33 0.00 -1.81 0.00 0.00 57.70 52.43 1c89 n MET 59 Cb 0.25 -2.14 -0.16 0.00 -0.71 0.00 0.00 33.22 30.47 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 -2.88 2.07 0.00 2.03 1.01 -1.17 -0.50 120.40 120.95 1c89 s VAL 60 Ca 0.52 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1c89 s VAL 60 Cb 0.41 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1c89 s VAL 60 CO 0.13 0.42 0.00 0.29 0.00 0.00 0.00 175.10 175.93 1c89 n LYS 61 N 4.59 0.00 -2.92 2.72 4.01 -1.26 -4.48 118.16 120.82 1c89 n LYS 61 Ca -0.19 0.00 -0.44 0.00 -0.51 0.00 0.00 58.31 57.17 1c89 n LYS 61 Cb 0.48 -0.12 0.00 0.00 -0.51 0.00 0.00 35.03 34.88 1c89 n LYS 61 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1c89 n ASN 62 N 0.00 5.29 0.00 4.39 0.23 -1.26 -4.70 115.26 119.21 1c89 n ASN 62 Ca 0.00 -3.02 0.00 0.00 -0.53 0.00 0.00 54.58 51.03 1c89 n ASN 62 Cb 0.00 -1.52 0.00 0.00 -2.08 0.00 0.00 39.78 36.18 1c89 n ASN 62 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1c89 n TYR 63 N 4.85 0.00 -1.90 -2.53 0.18 -1.26 -4.97 117.16 111.52 1c89 n TYR 63 Ca 0.35 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.13 1c89 n TYR 63 Cb 0.41 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.37 1c89 n TYR 63 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 1c89 n GLU 64 N 0.00 0.09 -0.89 -3.48 0.00 -1.26 -4.76 120.64 110.35 1c89 n GLU 64 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.97 1c89 n GLU 64 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.36 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1c89 n ASP 65 N 0.00 5.36 0.02 -1.84 9.92 -1.26 -4.20 116.55 124.55 1c89 n ASP 65 Ca 0.00 -2.34 0.11 0.00 -0.53 0.00 0.00 54.79 52.03 1c89 n ASP 65 Cb 0.00 -1.20 0.07 0.00 -0.64 0.00 0.00 41.12 39.34 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 3.12 -1.20 3.89 0.44 0.00 -1.26 -4.90 105.19 105.27 1c89 n GLY 66 Ca 0.47 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1c89 n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c89 s THR 67 N -3.12 5.10 0.00 2.61 -4.23 -1.26 -5.05 115.64 109.69 1c89 s THR 67 Ca 0.06 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 1c89 s THR 67 Cb 0.15 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.37 1c89 s THR 67 CO 0.78 0.05 0.00 0.35 -0.54 0.00 0.00 174.62 175.26 1c89 n THR 68 N 0.16 0.00 -2.89 3.99 -2.24 -1.26 -5.00 114.28 107.04 1c89 n THR 68 Ca -0.03 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 1c89 n THR 68 Cb 0.52 -0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 67.98 1c89 n THR 68 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1c89 s SER 69 N -0.23 7.34 0.00 3.42 0.01 -1.26 -5.02 113.70 117.96 1c89 s SER 69 Ca 0.00 1.60 0.00 0.00 1.31 0.00 0.00 55.95 58.86 1c89 s SER 69 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1c89 s SER 69 CO 0.00 0.02 0.00 -0.81 0.41 0.00 0.00 173.24 172.86 1c89 n PRO 70 N 2.60 0.00 0.00 12.44 -0.04 -1.26 -4.82 135.00 143.92 1c89 n PRO 70 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1c89 n PRO 70 Cb 0.50 -0.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 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 2.08 1.56 2.35 0.55 0.00 -1.26 -4.20 105.19 106.27 1c89 n GLY 71 Ca 0.00 0.32 -0.27 0.00 0.00 0.00 0.00 46.02 46.07 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 6.69 -4.62 0.99 4.77 -1.26 -4.93 117.00 118.64 1c89 n LEU 72 Ca 0.00 -4.03 -0.43 0.00 -0.03 0.00 0.00 56.01 51.52 1c89 n LEU 72 Cb 0.00 -1.33 -0.02 0.00 -2.33 0.00 0.00 43.42 39.73 1c89 n LEU 72 CO 0.00 1.82 1.24 -1.59 -1.33 0.00 0.00 177.39 177.53 1c89 s LYS 73 N -0.57 3.76 0.46 3.23 0.00 -1.26 -4.29 119.74 121.07 1c89 s LYS 73 Ca 0.61 1.26 0.03 0.00 0.00 0.00 0.00 55.97 57.86 1c89 s LYS 73 Cb 0.31 -3.97 0.01 0.00 0.00 0.00 0.00 37.83 34.18 1c89 s LYS 73 CO -0.13 -1.33 0.66 0.45 0.00 0.00 0.00 175.35 175.00 1c89 s SER 74 N 3.63 5.64 -0.04 0.03 0.15 0.52 -3.31 113.70 120.31 1c89 s SER 74 Ca 0.62 0.02 -0.25 0.00 0.70 0.00 0.00 55.95 57.04 1c89 s SER 74 Cb -0.18 -1.15 -0.04 0.00 -1.71 0.00 0.00 66.02 62.95 1c89 s SER 74 CO 0.28 -0.82 0.78 -0.69 1.20 0.00 0.00 173.24 173.99 1c89 s VAL 75 N -2.54 4.99 -0.05 4.45 1.01 -0.31 -0.35 120.40 127.60 1c89 s VAL 75 Ca 0.52 1.62 0.05 0.00 0.00 0.00 0.00 61.98 64.16 1c89 s VAL 75 Cb -0.10 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 1c89 s VAL 75 CO 0.36 0.23 -0.19 -0.69 0.00 0.00 0.00 175.10 174.81 1c89 s VAL 76 N 0.82 1.61 -1.13 2.92 1.01 0.00 -2.12 120.40 123.51 1c89 s VAL 76 Ca 0.41 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.36 1c89 s VAL 76 Cb -0.19 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 1c89 s VAL 76 CO 0.21 0.46 1.78 0.00 0.00 0.00 0.00 175.10 177.55 1c89 s ALA 77 N -0.05 2.42 0.56 5.51 0.00 0.41 -0.54 121.76 130.07 1c89 s ALA 77 Ca -0.03 -2.28 0.25 0.00 0.00 0.00 0.00 51.96 49.90 1c89 s ALA 77 Cb -0.12 -4.62 1.50 0.00 0.00 0.00 0.00 23.12 19.89 1c89 s ALA 77 CO 0.02 -4.24 2.08 -0.97 0.00 0.00 0.00 175.76 172.65 1c89 h ASN 78 N 9.39 0.00 -4.09 0.00 -0.73 -1.70 0.19 115.58 118.65 1c89 h ASN 78 Ca 0.26 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.26 1c89 h ASN 78 Cb 0.94 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.52 1c89 h ASN 78 CO 1.33 0.00 -0.09 1.67 -0.37 0.00 0.00 177.43 179.98 1c89 n GLN 79 N -4.12 1.32 -4.01 6.67 7.27 -1.16 -3.29 117.38 120.04 1c89 n GLN 79 Ca 0.03 -1.00 -0.35 0.00 0.07 0.00 0.00 57.00 55.75 1c89 n GLN 79 Cb 0.36 0.13 -0.09 0.00 2.41 0.00 0.00 30.24 33.05 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1c89 s LEU 80 N 0.00 3.86 -0.12 1.69 0.20 -1.26 -3.78 118.68 119.27 1c89 s LEU 80 Ca 0.08 0.12 0.03 0.00 0.69 0.00 0.00 54.13 55.05 1c89 s LEU 80 Cb -0.01 -1.97 0.01 0.00 -0.43 0.00 0.00 46.19 43.79 1c89 s LEU 80 CO 0.05 0.21 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.47 1c89 s ILE 81 N 0.17 1.98 0.47 6.68 1.01 -0.82 -4.97 121.20 125.71 1c89 s ILE 81 Ca 0.05 -0.95 -0.21 0.00 0.00 0.00 0.00 60.65 59.54 1c89 s ILE 81 Cb -0.12 -1.74 -0.08 0.00 0.01 0.00 0.00 42.46 40.53 1c89 s ILE 81 CO 0.00 0.54 1.07 -2.16 0.00 0.00 0.00 174.94 174.39 1c89 s PRO 82 N 0.67 3.81 0.50 2.79 0.04 -1.26 -0.73 135.00 140.82 1c89 s PRO 82 Ca -0.11 1.48 -0.18 0.00 0.04 0.00 0.00 61.00 62.23 1c89 s PRO 82 Cb -0.16 -2.21 -0.15 0.00 0.04 0.00 0.00 34.50 32.02 1c89 s PRO 82 CO 0.02 -0.44 -0.13 -0.89 0.04 0.00 0.00 177.00 175.60 1c89 n ILE 83 N -0.77 0.00 -3.45 0.56 5.41 -1.25 -3.20 119.36 116.66 1c89 n ILE 83 Ca 0.08 -0.49 -0.21 0.00 1.00 0.00 0.00 62.75 63.13 1c89 n ILE 83 Cb 0.51 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.45 1c89 n ILE 83 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1c89 n ASN 84 N 2.47 -6.02 -3.54 4.38 4.05 -0.05 -4.94 115.26 111.61 1c89 n ASN 84 Ca 0.08 -0.39 -0.19 0.00 0.45 0.00 0.00 54.58 54.53 1c89 n ASN 84 Cb 0.46 -2.89 -0.14 0.00 1.23 0.00 0.00 39.78 38.45 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1c89 s THR 85 N -2.55 -0.28 -0.86 -0.44 2.01 -1.19 -4.83 115.64 107.49 1c89 s THR 85 Ca 0.13 -0.05 -0.23 0.00 0.31 0.00 0.00 61.69 61.85 1c89 s THR 85 Cb -0.02 -0.61 -0.19 0.00 0.01 0.00 0.00 72.50 71.70 1c89 s THR 85 CO 0.85 -0.17 2.14 0.00 -0.69 0.00 0.00 174.62 176.75 1c89 n ALA 86 N 5.31 0.35 -1.77 7.40 0.00 -1.26 -4.01 120.51 126.55 1c89 n ALA 86 Ca -0.06 -1.66 -0.39 0.00 0.00 0.00 0.00 53.44 51.34 1c89 n ALA 86 Cb 0.49 -2.98 -0.06 0.00 0.00 0.00 0.00 19.45 16.90 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 13.36 4.49 0.49 0.00 2.34 -0.95 -4.63 118.68 133.78 1c89 s LEU 87 Ca 0.83 1.92 0.02 0.00 0.06 0.00 0.00 54.13 56.96 1c89 s LEU 87 Cb -0.15 -3.81 -0.01 0.00 -0.56 0.00 0.00 46.19 41.66 1c89 s LEU 87 CO 0.16 0.02 0.05 0.42 -1.06 0.00 0.00 176.35 175.94 1c89 s THR 88 N -1.39 0.89 0.59 5.48 -4.23 -1.26 0.25 115.64 115.96 1c89 s THR 88 Ca 0.46 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.26 1c89 s THR 88 Cb -0.23 -2.14 0.37 0.00 1.34 0.00 0.00 72.50 71.84 1c89 s THR 88 CO 0.29 0.00 2.01 0.17 -0.54 0.00 0.00 174.62 176.55 1c89 h LEU 89 N 1.45 0.00 -0.04 4.79 -0.00 -1.94 -1.69 115.31 117.88 1c89 h LEU 89 Ca -0.41 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.51 1c89 h LEU 89 Cb 1.31 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.91 1c89 h LEU 89 CO 0.67 0.00 -0.38 0.58 -0.00 0.00 0.00 178.44 179.31 1c89 h VAL 90 N 0.00 0.21 0.00 0.15 2.07 -2.01 -2.45 116.25 114.22 1c89 h VAL 90 Ca 0.14 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 1c89 h VAL 90 Cb 0.78 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1c89 h VAL 90 CO -0.00 0.00 -0.61 0.24 0.02 0.00 0.00 177.57 177.21 1c89 h MET 91 N -0.51 0.00 -6.06 1.57 2.86 -1.85 -3.46 114.93 107.49 1c89 h MET 91 Ca 0.06 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.10 1c89 h MET 91 Cb 0.61 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.22 1c89 h MET 91 CO -0.32 0.12 -0.25 -1.64 1.06 0.00 0.00 176.91 175.88 1c89 s MET 92 N -3.19 3.78 -0.11 1.72 1.00 -0.68 -2.33 119.30 119.50 1c89 s MET 92 Ca 0.03 0.21 -0.01 0.00 0.00 0.00 0.00 55.69 55.92 1c89 s MET 92 Cb 0.07 -3.06 0.03 0.00 0.00 0.00 0.00 34.83 31.87 1c89 s MET 92 CO 0.74 0.60 -0.05 0.15 0.00 0.00 0.00 175.02 176.46 1c89 s LYS 93 N -1.68 1.24 -0.69 2.03 1.02 0.30 -4.61 119.74 117.36 1c89 s LYS 93 Ca 0.30 -0.17 -0.27 0.00 0.02 0.00 0.00 55.97 55.85 1c89 s LYS 93 Cb -0.14 -1.44 0.03 0.00 -0.52 0.00 0.00 37.83 35.75 1c89 s LYS 93 CO 0.16 -0.29 1.30 0.00 -0.92 0.00 0.00 175.35 175.60 1c89 s ALA 94 N 1.78 2.78 0.26 5.17 0.00 -1.26 -0.82 121.76 129.67 1c89 s ALA 94 Ca 0.05 -1.16 0.10 0.00 0.00 0.00 0.00 51.96 50.94 1c89 s ALA 94 Cb -0.13 -4.20 -0.05 0.00 0.00 0.00 0.00 23.12 18.74 1c89 s ALA 94 CO -0.07 -3.16 -0.15 -1.83 0.00 0.00 0.00 175.76 170.54 1c89 s GLU 95 N 5.62 1.55 -0.85 0.00 -1.05 0.53 -4.75 118.70 119.76 1c89 s GLU 95 Ca 0.40 -1.72 -0.25 0.00 -0.15 0.00 0.00 54.97 53.24 1c89 s GLU 95 Cb -0.08 -1.46 0.03 0.00 -0.44 0.00 0.00 34.13 32.17 1c89 s GLU 95 CO 0.18 0.23 1.46 -2.00 0.95 0.00 0.00 175.26 176.08 1c89 s GLU 96 N -3.59 3.23 0.08 -4.83 -6.30 -1.26 -0.36 118.70 105.67 1c89 s GLU 96 Ca 0.28 -0.50 -0.07 0.00 -2.50 0.00 0.00 54.97 52.18 1c89 s GLU 96 Cb -0.02 -4.73 -0.01 0.00 0.00 0.00 0.00 34.13 29.37 1c89 s GLU 96 CO 0.12 -2.34 0.14 0.54 0.02 0.00 0.00 175.26 173.74 1c89 s VAL 97 N 6.15 0.16 0.14 3.70 0.11 -1.26 -4.90 120.40 124.50 1c89 s VAL 97 Ca 0.45 -1.35 0.06 0.00 -2.93 0.00 0.00 61.98 58.21 1c89 s VAL 97 Cb -0.05 -1.42 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 1c89 s VAL 97 CO 0.05 -0.71 0.01 -0.94 -3.33 0.00 0.00 175.10 170.17 1c89 s SER 98 N -2.88 4.93 0.98 3.54 1.04 -1.26 -4.12 113.70 115.92 1c89 s SER 98 Ca 0.06 -0.29 -0.16 0.00 0.48 0.00 0.00 55.95 56.04 1c89 s SER 98 Cb 0.06 -1.12 0.20 0.00 0.10 0.00 0.00 66.02 65.26 1c89 s SER 98 CO -0.10 0.12 1.28 -2.16 0.98 0.00 0.00 173.24 173.37 1c89 s PRO 99 N -2.70 0.49 -0.96 4.02 0.04 -1.26 -4.80 135.00 129.83 1c89 s PRO 99 Ca 0.27 -0.32 -0.16 0.00 0.04 0.00 0.00 61.00 60.83 1c89 s PRO 99 Cb -0.10 -1.82 0.18 0.00 0.04 0.00 0.00 34.50 32.79 1c89 s PRO 99 CO 0.19 -2.53 1.06 0.21 0.04 0.00 0.00 177.00 175.97 1c89 s LYS 100 N -5.80 3.73 0.00 4.56 2.20 -1.26 -4.90 119.74 118.27 1c89 s LYS 100 Ca 0.73 -2.23 0.00 0.00 -0.36 0.00 0.00 55.97 54.11 1c89 s LYS 100 Cb -0.05 -4.76 0.00 0.00 -1.51 0.00 0.00 37.83 31.51 1c89 s LYS 100 CO 0.53 -1.57 0.16 0.41 -0.36 0.00 0.00 175.35 174.51 1c89 n GLY 101 N 4.57 0.25 3.29 5.54 0.00 -1.24 -4.72 105.19 112.87 1c89 n GLY 101 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.31 4.16 0.84 -0.61 1.09 -0.67 -4.51 121.20 121.19 1c89 s ILE 102 Ca 0.00 -1.20 -0.11 0.00 -1.10 0.00 0.00 60.65 58.24 1c89 s ILE 102 Cb 0.00 -3.44 0.10 0.00 -1.06 0.00 0.00 42.46 38.06 1c89 s ILE 102 CO 0.00 -0.34 1.10 -2.16 -0.10 0.00 0.00 174.94 173.43 1c89 s PRO 103 N 1.44 1.72 0.00 2.79 0.04 -1.26 -1.16 135.00 138.57 1c89 s PRO 103 Ca 0.01 0.71 -0.05 0.00 0.04 0.00 0.00 61.00 61.72 1c89 s PRO 103 Cb -0.21 -1.87 -0.23 0.00 0.04 0.00 0.00 34.50 32.24 1c89 s PRO 103 CO 0.03 -1.89 3.17 -1.13 0.04 0.00 0.00 177.00 177.21 1c89 n SER 104 N -3.63 4.58 -0.01 6.66 3.41 -1.21 -4.36 113.62 119.06 1c89 n SER 104 Ca 0.07 -2.35 -0.01 0.00 -0.26 0.00 0.00 58.87 56.32 1c89 n SER 104 Cb 0.56 -1.23 -0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1c89 n SER 104 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1c89 h GLU 105 N 3.29 0.00 -0.31 4.33 4.81 -1.93 -3.42 114.58 121.35 1c89 h GLU 105 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1c89 h GLU 105 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1c89 h GLU 105 CO 0.25 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.92 1c89 n GLU 106 N -2.65 2.98 -0.37 1.92 -0.58 -1.26 -4.65 120.64 116.03 1c89 n GLU 106 Ca -0.01 -2.54 0.35 0.00 -0.42 0.00 0.00 57.16 54.54 1c89 n GLU 106 Cb 0.04 -1.63 0.70 0.00 -0.57 0.00 0.00 31.44 29.98 1c89 n GLU 106 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1c89 h ILE 107 N 2.02 0.36 0.00 -3.67 -0.00 -1.81 1.08 117.51 115.49 1c89 h ILE 107 Ca 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 64.86 64.82 1c89 h ILE 107 Cb 1.18 0.27 -0.00 0.00 -0.00 0.00 0.00 36.82 38.27 1c89 h ILE 107 CO 0.14 0.02 -0.06 0.77 -0.00 0.00 0.00 178.15 179.02 1c89 h SER 108 N 0.08 0.00 0.30 2.19 4.64 -1.92 -0.50 113.55 118.33 1c89 h SER 108 Ca 0.63 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.75 1c89 h SER 108 Cb 2.31 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.36 1c89 h SER 108 CO -0.10 0.06 -1.89 0.29 -0.87 0.00 0.00 176.83 174.32 1c89 n LYS 109 N -3.44 0.65 0.00 4.77 5.02 0.37 -4.12 118.16 121.42 1c89 n LYS 109 Ca -0.02 0.05 0.13 0.00 -2.02 0.00 0.00 58.31 56.46 1c89 n LYS 109 Cb 0.19 -1.65 0.37 0.00 -0.02 0.00 0.00 35.03 33.93 1c89 n LYS 109 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1c89 n LEU 110 N -2.71 1.55 -4.72 -0.35 4.77 -0.93 -4.91 117.00 109.69 1c89 n LEU 110 Ca -0.17 -0.49 -0.42 0.00 -0.03 0.00 0.00 56.01 54.89 1c89 n LEU 110 Cb 0.90 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.92 1c89 n LEU 110 CO 0.44 0.27 1.27 0.52 -1.33 0.00 0.00 177.39 178.55 1c89 n VAL 111 N -0.01 0.59 -1.03 4.08 0.31 -0.24 -1.33 118.33 120.70 1c89 n VAL 111 Ca 0.15 -0.15 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1c89 n VAL 111 Cb 0.39 -1.90 -0.00 0.00 -0.91 0.00 0.00 33.84 31.42 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 2.88 0.48 3.77 2.92 0.00 0.68 -4.90 105.19 111.02 1c89 n GLY 112 Ca 0.12 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.63 4.28 -0.08 1.61 0.00 -0.44 -4.21 119.30 118.83 1c89 s MET 113 Ca 0.00 1.62 -0.23 0.00 0.00 0.00 0.00 55.69 57.07 1c89 s MET 113 Cb 0.00 -2.73 -0.03 0.00 0.00 0.00 0.00 34.83 32.06 1c89 s MET 113 CO 0.00 -0.06 0.70 -0.65 0.00 0.00 0.00 175.02 175.01 1c89 s GLN 114 N -2.19 4.41 0.45 3.16 -0.21 -1.26 -2.24 119.66 121.79 1c89 s GLN 114 Ca 0.54 0.86 -0.06 0.00 0.02 0.00 0.00 55.36 56.73 1c89 s GLN 114 Cb -0.25 -3.46 -0.04 0.00 1.00 0.00 0.00 33.01 30.25 1c89 s GLN 114 CO 0.32 0.02 0.76 0.54 -2.12 0.00 0.00 175.29 174.82 1c89 s VAL 115 N 0.95 4.90 -1.09 1.09 0.11 -1.26 -4.66 120.40 120.45 1c89 s VAL 115 Ca 0.37 0.24 0.21 0.00 -2.93 0.00 0.00 61.98 59.86 1c89 s VAL 115 Cb -0.17 -3.84 -0.20 0.00 -1.53 0.00 0.00 36.38 30.64 1c89 s VAL 115 CO 0.17 -0.75 0.90 0.59 -3.33 0.00 0.00 175.10 172.67 1c89 n ASN 116 N -2.00 1.09 -4.44 3.54 3.02 -1.26 -0.87 115.26 114.33 1c89 n ASN 116 Ca 0.01 -1.04 -0.29 0.00 -0.03 0.00 0.00 54.58 53.22 1c89 n ASN 116 Cb 0.55 0.94 -0.08 0.00 -0.61 0.00 0.00 39.78 40.58 1c89 n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1c89 s ARG 117 N -2.88 2.05 0.19 3.52 1.70 -1.26 -4.63 118.95 117.64 1c89 s ARG 117 Ca 0.09 -2.27 -0.18 0.00 -0.47 0.00 0.00 55.73 52.90 1c89 s ARG 117 Cb 0.16 -1.08 -0.08 0.00 -0.57 0.00 0.00 34.95 33.38 1c89 s ARG 117 CO 0.81 -0.40 0.67 0.00 -1.08 0.00 0.00 175.30 175.30 1c89 s ALA 118 N -3.04 3.47 -0.03 7.88 0.00 -1.26 -3.81 121.76 124.97 1c89 s ALA 118 Ca 0.16 0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.27 1c89 s ALA 118 Cb 0.03 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 1c89 s ALA 118 CO 0.09 0.37 -0.25 0.08 0.00 0.00 0.00 175.76 176.05 1c89 s VAL 119 N -1.48 1.98 0.00 0.00 1.01 0.09 -4.89 120.40 117.11 1c89 s VAL 119 Ca 0.41 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1c89 s VAL 119 Cb -0.16 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1c89 s VAL 119 CO 0.20 0.56 0.00 -1.22 0.00 0.00 0.00 175.10 174.64 1c89 n TYR 120 N 2.63 -1.87 0.00 5.22 4.01 -1.26 -1.95 117.16 123.93 1c89 n TYR 120 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 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 -0.11 -0.46 0.00 0.00 176.86 176.29 1c89 n LEU 121 N 0.00 0.00 -4.34 7.72 -0.00 -1.25 -4.08 117.00 115.06 1c89 n LEU 121 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 1c89 n LEU 121 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.30 1c89 n LEU 121 CO 0.00 0.00 1.49 0.47 -0.00 0.00 0.00 177.39 179.35 1c89 n ASP 122 N 0.00 -0.99 -4.35 1.96 9.92 0.02 -4.53 116.55 118.58 1c89 n ASP 122 Ca 0.00 -1.17 -0.31 0.00 -0.53 0.00 0.00 54.79 52.78 1c89 n ASP 122 Cb 0.00 -0.81 -0.15 0.00 -0.64 0.00 0.00 41.12 39.52 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1c89 s GLN 123 N 6.67 2.09 0.06 -1.24 0.74 -0.98 -4.74 119.66 122.26 1c89 s GLN 123 Ca 0.75 -0.94 -0.31 0.00 0.05 0.00 0.00 55.36 54.91 1c89 s GLN 123 Cb -0.38 -2.08 -0.07 0.00 1.10 0.00 0.00 33.01 31.58 1c89 s GLN 123 CO 0.27 0.56 1.37 0.99 -0.55 0.00 0.00 175.29 177.92 1c89 s THR 124 N -0.69 3.58 -0.07 -0.34 2.01 -1.26 -0.45 115.64 118.42 1c89 s THR 124 Ca 0.11 1.08 -0.28 0.00 0.31 0.00 0.00 61.69 62.91 1c89 s THR 124 Cb -0.10 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1c89 s THR 124 CO 0.00 0.05 0.91 -0.22 -0.69 0.00 0.00 174.62 174.68 1c89 s LEU 125 N 1.63 4.29 0.15 4.42 2.96 -0.90 -4.91 118.68 126.32 1c89 s LEU 125 Ca 0.63 1.46 0.10 0.00 -0.22 0.00 0.00 54.13 56.11 1c89 s LEU 125 Cb -0.33 -3.42 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 1c89 s LEU 125 CO 0.29 -0.31 -0.24 -0.04 -1.32 0.00 0.00 176.35 174.72 1c89 s MET 126 N 1.47 1.38 0.17 1.98 -1.94 -1.26 -1.67 119.30 119.43 1c89 s MET 126 Ca 0.46 -1.39 0.23 0.00 -1.71 0.00 0.00 55.69 53.29 1c89 s MET 126 Cb -0.19 -1.75 0.90 0.00 2.01 0.00 0.00 34.83 35.80 1c89 s MET 126 CO 0.21 0.40 1.71 -0.35 -0.01 0.00 0.00 175.02 176.97 1c89 n PRO 127 N 0.66 0.15 0.03 2.03 -0.04 -1.26 -2.64 135.00 133.93 1c89 n PRO 127 Ca -0.16 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 1c89 n PRO 127 Cb 0.54 -1.74 0.21 0.00 -0.04 0.00 0.00 33.50 32.47 1c89 n PRO 127 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1c89 n ASP 128 N -2.03 0.57 -0.13 3.54 5.68 -1.26 -4.25 116.55 118.68 1c89 n ASP 128 Ca 0.04 -0.08 -0.22 0.00 -0.50 0.00 0.00 54.79 54.03 1c89 n ASP 128 Cb 0.28 0.25 -0.11 0.00 -1.14 0.00 0.00 41.12 40.40 1c89 n ASP 128 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 1c89 n MET 129 N -1.78 0.61 -3.01 0.11 1.56 -1.08 -4.84 117.12 108.68 1c89 n MET 129 Ca 0.04 0.19 -0.43 0.00 -0.27 0.00 0.00 57.70 57.23 1c89 n MET 129 Cb 0.38 -1.49 -0.06 0.00 2.15 0.00 0.00 33.22 34.21 1c89 n MET 129 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1c89 s VAL 130 N -2.50 4.67 -0.38 1.12 1.01 -1.10 -4.72 120.40 118.50 1c89 s VAL 130 Ca -0.35 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 1c89 s VAL 130 Cb 0.11 -4.36 0.19 0.00 0.00 0.00 0.00 36.38 32.32 1c89 s VAL 130 CO 0.54 -0.85 2.22 2.29 0.00 0.00 0.00 175.10 179.31 1c89 n LYS 131 N 6.69 2.03 0.00 2.72 2.85 -1.26 -4.50 118.16 126.69 1c89 n LYS 131 Ca -0.01 -1.90 0.00 0.00 -1.05 0.00 0.00 58.31 55.35 1c89 n LYS 131 Cb 0.47 -1.80 0.00 0.00 -0.65 0.00 0.00 35.03 33.05 1c89 n LYS 131 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1c89 n ASN 132 N 0.40 0.00 -3.47 -5.58 2.85 -1.26 -4.97 115.26 103.23 1c89 n ASN 132 Ca 0.37 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.84 1c89 n ASN 132 Cb 0.58 -0.09 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1c89 n ASN 132 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1c89 n TYR 133 N -1.76 -0.87 1.51 1.20 0.18 -1.26 -5.11 117.16 111.06 1c89 n TYR 133 Ca 0.00 0.00 0.14 0.00 1.88 0.00 0.00 57.90 59.92 1c89 n TYR 133 Cb 0.00 0.00 0.53 0.00 -0.38 0.00 0.00 39.34 39.49 1c89 n TYR 133 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17