#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 0.70 0.27 1.20 -0.14 -1.26 -4.97 119.74 115.53 1c89 s LYS 2 Ca 0.00 -0.16 -0.29 0.00 -1.36 0.00 0.00 55.97 54.16 1c89 s LYS 2 Cb 0.00 -1.83 -0.10 0.00 -1.68 0.00 0.00 37.83 34.23 1c89 s LYS 2 CO 0.00 -2.41 1.29 0.00 -0.76 0.00 0.00 175.35 173.47 1c89 s ALA 3 N -3.61 3.51 0.27 5.17 0.00 -1.26 -4.71 121.76 121.13 1c89 s ALA 3 Ca 0.70 1.16 0.08 0.00 0.00 0.00 0.00 51.96 53.90 1c89 s ALA 3 Cb -0.08 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1c89 s ALA 3 CO 0.53 -0.55 0.13 0.45 0.00 0.00 0.00 175.76 176.32 1c89 s SER 4 N -0.14 5.07 -0.64 0.00 0.15 -0.59 -4.55 113.70 113.01 1c89 s SER 4 Ca 0.52 -0.47 -0.27 0.00 0.70 0.00 0.00 55.95 56.44 1c89 s SER 4 Cb -0.38 -1.10 -0.01 0.00 -1.71 0.00 0.00 66.02 62.82 1c89 s SER 4 CO 0.45 -0.08 1.76 -0.69 1.20 0.00 0.00 173.24 175.88 1c89 s VAL 5 N -2.25 3.42 -0.25 4.45 1.01 -0.97 -2.57 120.40 123.24 1c89 s VAL 5 Ca 0.34 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 1c89 s VAL 5 Cb -0.07 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1c89 s VAL 5 CO 0.23 -1.07 0.01 -0.69 0.00 0.00 0.00 175.10 173.58 1c89 s VAL 6 N 8.53 3.68 0.09 2.92 1.01 0.38 -0.38 120.40 136.63 1c89 s VAL 6 Ca 0.62 -0.52 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 1c89 s VAL 6 Cb -0.12 -2.76 -0.09 0.00 0.00 0.00 0.00 36.38 33.41 1c89 s VAL 6 CO 0.19 0.30 1.63 0.00 0.00 0.00 0.00 175.10 177.23 1c89 s ALA 7 N 1.50 3.71 -0.00 5.51 0.00 0.40 -1.15 121.76 131.73 1c89 s ALA 7 Ca 0.05 1.25 -0.12 0.00 0.00 0.00 0.00 51.96 53.14 1c89 s ALA 7 Cb -0.15 -3.68 -0.33 0.00 0.00 0.00 0.00 23.12 18.96 1c89 s ALA 7 CO -0.00 -1.03 0.86 -2.95 0.00 0.00 0.00 175.76 172.64 1c89 h ASN 8 N 7.96 0.69 -2.52 0.00 7.08 -1.87 1.31 115.58 128.23 1c89 h ASN 8 Ca -0.43 -0.85 -0.45 0.00 -3.08 0.00 0.00 56.30 51.49 1c89 h ASN 8 Cb 1.20 -0.22 0.06 0.00 -2.08 0.00 0.00 38.32 37.28 1c89 h ASN 8 CO 0.93 1.69 0.04 0.00 -2.08 0.00 0.00 177.43 178.01 1c89 s GLN 9 N -2.60 2.20 -0.01 4.14 -2.07 -1.26 -2.35 119.66 117.71 1c89 s GLN 9 Ca -0.11 -0.84 -0.19 0.00 -1.82 0.00 0.00 55.36 52.40 1c89 s GLN 9 Cb 0.05 -2.40 -0.05 0.00 -1.09 0.00 0.00 33.01 29.52 1c89 s GLN 9 CO 0.90 -1.03 0.54 -1.17 -1.32 0.00 0.00 175.29 173.21 1c89 s LEU 10 N -4.95 4.42 -0.03 2.60 0.20 -1.26 -4.30 118.68 115.36 1c89 s LEU 10 Ca 0.61 1.08 0.07 0.00 0.69 0.00 0.00 54.13 56.58 1c89 s LEU 10 Cb -0.09 -2.82 -0.02 0.00 -0.43 0.00 0.00 46.19 42.84 1c89 s LEU 10 CO 0.41 0.16 -0.23 -0.63 -0.29 0.00 0.00 176.35 175.77 1c89 s ILE 11 N -0.38 2.34 0.00 6.68 -1.09 0.17 -4.94 121.20 123.99 1c89 s ILE 11 Ca 0.28 -0.99 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 1c89 s ILE 11 Cb -0.18 -1.85 0.00 0.00 -1.58 0.00 0.00 42.46 38.86 1c89 s ILE 11 CO 0.16 0.58 0.00 -0.81 -1.23 0.00 0.00 174.94 173.64 1c89 n PRO 12 N 2.46 0.64 -2.35 2.79 -0.04 -1.26 0.14 135.00 137.37 1c89 n PRO 12 Ca -0.16 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.01 1c89 n PRO 12 Cb 0.51 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 -0.23 4.56 -0.62 0.52 -1.09 -1.26 -4.28 121.20 118.81 1c89 s ILE 13 Ca 0.00 0.36 -0.11 0.00 -2.23 0.00 0.00 60.65 58.67 1c89 s ILE 13 Cb 0.00 -3.78 0.02 0.00 -1.58 0.00 0.00 42.46 37.12 1c89 s ILE 13 CO 0.00 -0.85 0.55 -0.46 -1.23 0.00 0.00 174.94 172.94 1c89 n ASN 14 N -2.49 -4.38 -3.81 3.58 0.23 -0.69 -4.86 115.26 102.85 1c89 n ASN 14 Ca 0.03 -0.63 -0.19 0.00 -0.53 0.00 0.00 54.58 53.26 1c89 n ASN 14 Cb 0.55 -1.39 -0.17 0.00 -2.08 0.00 0.00 39.78 36.69 1c89 n ASN 14 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1c89 s THR 15 N -2.34 0.26 -0.80 5.53 2.01 -1.26 -4.80 115.64 114.24 1c89 s THR 15 Ca 0.11 0.08 -0.25 0.00 0.31 0.00 0.00 61.69 61.94 1c89 s THR 15 Cb -0.01 -0.37 -0.00 0.00 0.01 0.00 0.00 72.50 72.13 1c89 s THR 15 CO 0.78 0.19 1.66 0.00 -0.69 0.00 0.00 174.62 176.56 1c89 s ALA 16 N 1.29 2.29 0.64 7.40 0.00 -1.25 -3.66 121.76 128.48 1c89 s ALA 16 Ca -0.06 -1.36 -0.17 0.00 0.00 0.00 0.00 51.96 50.37 1c89 s ALA 16 Cb -0.13 -4.40 -0.06 0.00 0.00 0.00 0.00 23.12 18.53 1c89 s ALA 16 CO -0.02 -3.92 0.66 1.28 0.00 0.00 0.00 175.76 173.75 1c89 n LEU 17 N 11.47 1.69 0.00 0.00 4.77 -1.09 -4.30 117.00 129.54 1c89 n LEU 17 Ca 0.23 0.70 -0.31 0.00 -0.03 0.00 0.00 56.01 56.61 1c89 n LEU 17 Cb 0.50 -1.25 -0.06 0.00 -2.33 0.00 0.00 43.42 40.27 1c89 n LEU 17 CO 0.67 -2.73 -0.23 0.35 -1.33 0.00 0.00 177.39 174.13 1c89 n THR 18 N -1.98 0.00 -0.02 -5.08 -2.24 -1.26 0.21 114.28 103.91 1c89 n THR 18 Ca 0.12 -2.29 -0.04 0.00 -2.27 0.00 0.00 64.05 59.57 1c89 n THR 18 Cb 0.48 0.47 0.19 0.00 -2.10 0.00 0.00 70.33 69.37 1c89 n THR 18 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1c89 h LEU 19 N 0.00 0.56 -0.98 3.22 -0.00 -1.94 -2.82 115.31 113.34 1c89 h LEU 19 Ca -0.40 -0.17 -0.04 0.00 -0.00 0.00 0.00 57.88 57.27 1c89 h LEU 19 Cb 1.22 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 41.70 1c89 h LEU 19 CO 0.67 0.76 0.29 0.40 -0.00 0.00 0.00 178.44 180.55 1c89 h ILE 20 N 0.51 1.24 -0.25 1.22 5.03 -2.02 -1.37 117.51 121.87 1c89 h ILE 20 Ca 0.08 -0.73 0.00 0.00 -0.12 0.00 0.00 64.86 64.10 1c89 h ILE 20 Cb 0.61 0.39 0.00 0.00 -3.03 0.00 0.00 36.82 34.79 1c89 h ILE 20 CO 0.04 0.30 0.00 0.23 -0.68 0.00 0.00 178.15 178.04 1c89 n MET 21 N -4.30 2.27 -3.83 2.37 2.81 -1.08 -4.75 117.12 110.61 1c89 n MET 21 Ca 0.06 -1.19 -0.36 0.00 -1.81 0.00 0.00 57.70 54.40 1c89 n MET 21 Cb 0.17 -1.62 -0.13 0.00 -0.71 0.00 0.00 33.22 30.93 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 -1.67 2.50 -0.33 0.03 1.75 -0.52 -3.61 119.30 117.45 1c89 s MET 22 Ca 0.21 -1.25 -0.05 0.00 -1.25 0.00 0.00 55.69 53.35 1c89 s MET 22 Cb 0.14 -3.32 0.04 0.00 2.84 0.00 0.00 34.83 34.54 1c89 s MET 22 CO 0.09 -0.66 0.08 0.15 -0.65 0.00 0.00 175.02 174.03 1c89 s LYS 23 N 1.32 2.56 -1.24 4.11 1.02 -0.30 -4.90 119.74 122.30 1c89 s LYS 23 Ca -0.03 -1.22 -0.18 0.00 0.02 0.00 0.00 55.97 54.57 1c89 s LYS 23 Cb -0.20 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.72 1c89 s LYS 23 CO 0.01 -0.66 2.02 0.00 -0.92 0.00 0.00 175.35 175.79 1c89 n ALA 24 N 4.75 4.20 -2.83 5.17 0.00 -1.26 -0.47 120.51 130.07 1c89 n ALA 24 Ca -0.12 -3.66 -0.31 0.00 0.00 0.00 0.00 53.44 49.35 1c89 n ALA 24 Cb 0.44 -3.57 -0.06 0.00 0.00 0.00 0.00 19.45 16.26 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 4.18 3.13 -0.91 0.00 2.12 -1.06 -4.62 118.70 121.55 1c89 s GLU 25 Ca 0.53 -0.55 -0.21 0.00 0.36 0.00 0.00 54.97 55.10 1c89 s GLU 25 Cb 0.10 -2.88 0.09 0.00 0.26 0.00 0.00 34.13 31.70 1c89 s GLU 25 CO 0.02 0.60 1.22 0.08 -0.54 0.00 0.00 175.26 176.64 1c89 s VAL 26 N -1.39 4.33 0.08 3.70 1.01 -1.26 -1.54 120.40 125.32 1c89 s VAL 26 Ca 0.30 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1c89 s VAL 26 Cb -0.12 -4.87 -0.04 0.00 0.00 0.00 0.00 36.38 31.35 1c89 s VAL 26 CO 0.22 -1.67 -0.07 0.68 0.00 0.00 0.00 175.10 174.27 1c89 s VAL 27 N 3.87 0.61 0.31 2.92 -7.23 -1.26 -4.99 120.40 114.63 1c89 s VAL 27 Ca 0.36 -1.66 0.03 0.00 -1.81 0.00 0.00 61.98 58.89 1c89 s VAL 27 Cb -0.05 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 1c89 s VAL 27 CO -0.05 -0.73 0.48 0.42 -0.31 0.00 0.00 175.10 174.91 1c89 s THR 28 N -2.95 5.03 0.67 5.32 -4.23 -1.26 -4.17 115.64 114.05 1c89 s THR 28 Ca 0.05 -0.70 -0.11 0.00 -1.18 0.00 0.00 61.69 59.75 1c89 s THR 28 Cb 0.01 -3.81 -0.01 0.00 1.34 0.00 0.00 72.50 70.03 1c89 s THR 28 CO -0.03 -0.43 1.05 -2.16 -0.54 0.00 0.00 174.62 172.50 1c89 s PRO 29 N -4.20 3.11 -0.02 3.99 0.04 -1.26 -5.01 135.00 131.65 1c89 s PRO 29 Ca 0.39 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.07 1c89 s PRO 29 Cb -0.09 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1c89 s PRO 29 CO 0.33 -0.96 1.52 0.00 0.04 0.00 0.00 177.00 177.93 1c89 s MET 30 N -4.96 4.23 0.00 4.56 0.23 -1.26 -4.96 119.30 117.14 1c89 s MET 30 Ca 0.58 2.08 0.00 0.00 -1.03 0.00 0.00 55.69 57.32 1c89 s MET 30 Cb -0.14 -3.73 0.00 0.00 -1.53 0.00 0.00 34.83 29.44 1c89 s MET 30 CO 0.53 -0.70 0.00 0.41 -2.03 0.00 0.00 175.02 173.22 1c89 n GLY 31 N 3.86 2.55 3.63 3.16 0.00 -1.26 -5.04 105.19 112.09 1c89 n GLY 31 Ca 0.15 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 4.01 4.43 -0.36 -0.61 1.01 -1.02 -4.90 121.20 123.75 1c89 s ILE 32 Ca 0.00 1.63 -0.05 0.00 0.00 0.00 0.00 60.65 62.23 1c89 s ILE 32 Cb 0.00 -4.43 -0.15 0.00 0.01 0.00 0.00 42.46 37.89 1c89 s ILE 32 CO 0.00 -0.57 2.57 -0.81 0.00 0.00 0.00 174.94 176.13 1c89 n PRO 33 N 7.06 1.77 -2.11 2.79 -0.04 -1.26 -2.28 135.00 140.92 1c89 n PRO 33 Ca 0.12 -1.01 -0.01 0.00 -0.04 0.00 0.00 63.50 62.56 1c89 n PRO 33 Cb 0.47 -2.07 -0.00 0.00 -0.04 0.00 0.00 33.50 31.86 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 3.09 -0.73 0.27 0.55 0.00 -1.26 -4.76 120.51 117.67 1c89 n ALA 34 Ca 0.38 0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.66 1c89 n ALA 34 Cb 0.48 -0.49 -0.08 0.00 0.00 0.00 0.00 19.45 19.36 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 0.00 -0.82 -1.22 0.00 4.81 -1.96 -2.31 114.58 113.08 1c89 h GLU 35 Ca -0.02 0.06 -0.49 0.00 -0.13 0.00 0.00 59.36 58.78 1c89 h GLU 35 Cb 0.76 0.19 -0.22 0.00 0.63 0.00 0.00 28.75 30.11 1c89 h GLU 35 CO 0.02 -0.54 0.63 0.39 -0.73 0.00 0.00 179.01 178.78 1c89 n GLU 36 N -5.50 2.22 -0.35 1.92 -0.58 -1.26 -4.71 120.64 112.38 1c89 n GLU 36 Ca -0.11 -2.43 0.02 0.00 -0.42 0.00 0.00 57.16 54.23 1c89 n GLU 36 Cb 0.40 -1.95 0.08 0.00 -0.57 0.00 0.00 31.44 29.40 1c89 n GLU 36 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1c89 n ILE 37 N -0.36 -0.45 0.37 -3.67 2.08 -0.87 0.26 119.36 116.72 1c89 n ILE 37 Ca 0.47 2.19 0.13 0.00 0.56 0.00 0.00 62.75 66.10 1c89 n ILE 37 Cb 0.72 -2.96 0.54 0.00 -0.75 0.00 0.00 39.64 37.18 1c89 n ILE 37 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1c89 h PRO 38 N 0.00 0.00 0.00 0.38 0.13 -1.87 0.66 132.00 131.30 1c89 h PRO 38 Ca 0.39 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.24 1c89 h PRO 38 Cb 0.62 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.70 1c89 h PRO 38 CO -0.96 0.00 -2.08 -1.71 -0.23 0.00 0.00 178.00 173.02 1c89 n ASN 39 N -2.42 1.05 0.01 1.44 2.85 0.73 -4.42 115.26 114.51 1c89 n ASN 39 Ca 0.02 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.60 1c89 n ASN 39 Cb 0.24 0.94 0.16 0.00 1.24 0.00 0.00 39.78 42.36 1c89 n ASN 39 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1c89 n LEU 40 N -2.57 0.61 -4.76 1.20 0.00 0.71 -4.78 117.00 107.40 1c89 n LEU 40 Ca -0.25 -0.06 -0.35 0.00 0.00 0.00 0.00 56.01 55.35 1c89 n LEU 40 Cb 0.99 -0.19 0.03 0.00 0.00 0.00 0.00 43.42 44.25 1c89 n LEU 40 CO 0.34 0.12 0.79 -0.69 0.00 0.00 0.00 177.39 177.95 1c89 s VAL 41 N -3.04 3.00 0.00 1.96 1.01 0.21 -2.50 120.40 121.04 1c89 s VAL 41 Ca 0.09 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1c89 s VAL 41 Cb 0.17 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1c89 s VAL 41 CO 0.74 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1c89 n GLY 42 N 0.11 0.27 3.76 4.51 0.00 0.57 -4.86 105.19 109.55 1c89 n GLY 42 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1c89 n GLY 42 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1c89 s MET 43 N -0.94 4.55 0.12 1.61 1.00 -1.04 -3.85 119.30 120.75 1c89 s MET 43 Ca 0.00 1.93 -0.23 0.00 0.00 0.00 0.00 55.69 57.39 1c89 s MET 43 Cb 0.00 -3.15 -0.07 0.00 0.00 0.00 0.00 34.83 31.60 1c89 s MET 43 CO 0.00 0.08 0.71 -0.65 0.00 0.00 0.00 175.02 175.16 1c89 s GLN 44 N -1.51 4.45 0.67 2.03 -0.21 -1.24 -2.68 119.66 121.17 1c89 s GLN 44 Ca 0.46 1.01 -0.03 0.00 0.02 0.00 0.00 55.36 56.83 1c89 s GLN 44 Cb -0.34 -3.27 0.08 0.00 1.00 0.00 0.00 33.01 30.48 1c89 s GLN 44 CO 0.45 0.55 0.95 0.14 -2.12 0.00 0.00 175.29 175.26 1c89 s VAL 45 N -0.99 2.34 -0.06 1.09 -7.23 -1.24 -4.72 120.40 109.59 1c89 s VAL 45 Ca 0.34 -0.50 0.20 0.00 -1.81 0.00 0.00 61.98 60.21 1c89 s VAL 45 Cb -0.22 -2.84 -0.30 0.00 0.56 0.00 0.00 36.38 33.58 1c89 s VAL 45 CO 0.23 0.00 0.38 -3.20 -0.31 0.00 0.00 175.10 172.20 1c89 n ASN 46 N -2.75 0.29 -4.10 4.85 5.15 -1.13 -1.70 115.26 115.87 1c89 n ASN 46 Ca 0.11 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.84 1c89 n ASN 46 Cb 0.60 1.75 -0.08 0.00 -0.53 0.00 0.00 39.78 41.52 1c89 n ASN 46 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1c89 s ARG 47 N -3.24 1.88 0.48 1.20 0.52 -1.26 -4.72 118.95 113.81 1c89 s ARG 47 Ca -0.08 -2.14 -0.22 0.00 -0.52 0.00 0.00 55.73 52.78 1c89 s ARG 47 Cb 0.12 -0.56 -0.07 0.00 0.52 0.00 0.00 34.95 34.96 1c89 s ARG 47 CO 0.84 -0.47 1.13 0.00 0.02 0.00 0.00 175.30 176.82 1c89 s ALA 48 N -3.25 2.88 -0.23 2.13 0.00 -1.26 -4.37 121.76 117.66 1c89 s ALA 48 Ca 0.26 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 53.01 1c89 s ALA 48 Cb 0.03 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 1c89 s ALA 48 CO 0.15 -0.60 -0.02 0.08 0.00 0.00 0.00 175.76 175.37 1c89 s VAL 49 N -1.68 3.47 0.96 0.00 1.01 0.36 -4.96 120.40 119.56 1c89 s VAL 49 Ca 0.66 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 1c89 s VAL 49 Cb -0.25 -2.61 0.16 0.00 0.00 0.00 0.00 36.38 33.68 1c89 s VAL 49 CO 0.30 0.37 1.10 -2.16 0.00 0.00 0.00 175.10 174.71 1c89 s PRO 50 N 1.48 0.77 0.23 2.72 0.04 -1.26 -0.65 135.00 138.33 1c89 s PRO 50 Ca 0.05 0.49 -0.30 0.00 0.04 0.00 0.00 61.00 61.28 1c89 s PRO 50 Cb -0.15 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 1c89 s PRO 50 CO -0.02 -2.49 1.44 -0.51 0.04 0.00 0.00 177.00 175.45 1c89 s LEU 51 N -6.29 4.39 -0.67 -3.56 1.02 -1.26 -2.79 118.68 109.50 1c89 s LEU 51 Ca 0.64 2.63 -0.04 0.00 0.02 0.00 0.00 54.13 57.39 1c89 s LEU 51 Cb -0.17 -3.62 0.00 0.00 0.02 0.00 0.00 46.19 42.42 1c89 s LEU 51 CO 0.56 -0.70 0.59 0.61 0.02 0.00 0.00 176.35 177.43 1c89 n GLY 52 N 2.43 0.17 3.68 -3.19 0.00 0.42 -4.96 105.19 103.74 1c89 n GLY 52 Ca 0.08 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.17 4.97 0.68 2.61 2.01 0.80 -4.71 115.64 118.84 1c89 s THR 53 Ca 0.25 1.44 -0.11 0.00 0.31 0.00 0.00 61.69 63.57 1c89 s THR 53 Cb -0.11 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.35 1c89 s THR 53 CO 0.37 0.12 1.06 0.28 -0.69 0.00 0.00 174.62 175.76 1c89 s THR 54 N 1.67 4.05 -0.95 -0.82 -1.32 -1.26 0.15 115.64 117.16 1c89 s THR 54 Ca 0.35 0.69 -0.24 0.00 -1.21 0.00 0.00 61.69 61.28 1c89 s THR 54 Cb -0.17 -3.42 -0.03 0.00 -1.51 0.00 0.00 72.50 67.37 1c89 s THR 54 CO 0.13 -0.84 1.85 -0.76 -2.21 0.00 0.00 174.62 172.79 1c89 s LEU 55 N -5.42 3.23 -0.09 9.08 2.01 0.48 -4.82 118.68 123.16 1c89 s LEU 55 Ca 0.58 -0.91 -0.18 0.00 0.01 0.00 0.00 54.13 53.63 1c89 s LEU 55 Cb -0.14 -2.56 -0.05 0.00 0.01 0.00 0.00 46.19 43.45 1c89 s LEU 55 CO 0.53 -2.51 0.49 -0.32 1.01 0.00 0.00 176.35 175.55 1c89 s MET 56 N 6.54 4.28 0.23 1.70 -2.45 -1.26 -2.45 119.30 125.90 1c89 s MET 56 Ca 0.65 0.49 0.25 0.00 -1.25 0.00 0.00 55.69 55.83 1c89 s MET 56 Cb -0.05 -3.39 0.90 0.00 1.25 0.00 0.00 34.83 33.53 1c89 s MET 56 CO -0.02 0.26 1.75 -0.35 1.05 0.00 0.00 175.02 177.71 1c89 n PRO 57 N 3.28 0.23 0.13 4.11 -0.04 -1.26 -2.87 135.00 138.58 1c89 n PRO 57 Ca -0.08 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 1c89 n PRO 57 Cb 0.52 -1.83 0.28 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.00 -0.01 3.54 3.32 -1.97 -3.24 116.42 118.06 1c89 h ASP 58 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1c89 h ASP 58 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1c89 h ASP 58 CO 0.00 0.01 -0.40 0.23 -1.72 0.00 0.00 179.24 177.36 1c89 n MET 59 N -2.52 1.52 -5.22 3.56 2.81 -1.14 -4.92 117.12 111.21 1c89 n MET 59 Ca 0.04 -0.83 -0.32 0.00 -1.81 0.00 0.00 57.70 54.79 1c89 n MET 59 Cb 0.47 -1.34 -0.17 0.00 -0.71 0.00 0.00 33.22 31.47 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 -2.11 2.06 0.00 2.03 1.01 -1.21 -2.83 120.40 119.35 1c89 s VAL 60 Ca 0.15 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1c89 s VAL 60 Cb 0.15 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1c89 s VAL 60 CO 0.47 0.56 0.00 2.29 0.00 0.00 0.00 175.10 178.42 1c89 n LYS 61 N 3.47 0.00 -1.91 2.72 0.00 -1.26 -4.46 118.16 116.72 1c89 n LYS 61 Ca -0.19 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.71 1c89 n LYS 61 Cb 0.53 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.56 1c89 n LYS 61 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1c89 n ASN 62 N 0.00 5.22 0.00 -5.58 2.85 -1.25 -4.87 115.26 111.63 1c89 n ASN 62 Ca 0.00 -2.93 0.00 0.00 -0.11 0.00 0.00 54.58 51.54 1c89 n ASN 62 Cb 0.00 -1.56 0.00 0.00 1.24 0.00 0.00 39.78 39.46 1c89 n ASN 62 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1c89 n TYR 63 N 4.67 0.00 -3.43 1.20 0.18 -1.26 -4.91 117.16 113.61 1c89 n TYR 63 Ca 0.52 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.30 1c89 n TYR 63 Cb 0.35 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.31 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 2.29 -0.96 -3.48 0.28 -1.26 -4.78 120.64 112.73 1c89 n GLU 64 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.85 1c89 n GLU 64 Cb 0.00 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.73 1c89 n GLU 64 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1c89 n ASP 65 N -1.11 5.29 0.19 -1.84 2.03 -1.26 -4.39 116.55 115.45 1c89 n ASP 65 Ca 0.00 -2.41 0.14 0.00 0.52 0.00 0.00 54.79 53.04 1c89 n ASP 65 Cb 0.00 -1.32 0.49 0.00 -0.72 0.00 0.00 41.12 39.57 1c89 n ASP 65 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1c89 h GLY 66 N 5.42 0.00 -6.15 0.27 0.00 -1.99 -3.42 103.07 97.20 1c89 h GLY 66 Ca 0.27 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 47.00 1c89 h GLY 66 CO 0.48 0.00 0.15 -0.51 0.00 0.00 0.00 176.54 176.66 1c89 s THR 67 N -3.39 5.00 -0.22 4.70 -4.23 -1.26 -4.95 115.64 111.29 1c89 s THR 67 Ca 0.05 1.18 -0.16 0.00 -1.18 0.00 0.00 61.69 61.58 1c89 s THR 67 Cb 0.09 -3.95 -0.11 0.00 1.34 0.00 0.00 72.50 69.87 1c89 s THR 67 CO 0.53 0.07 -0.20 0.41 -0.54 0.00 0.00 174.62 174.89 1c89 n THR 68 N 4.90 1.51 -2.73 3.99 -1.04 -1.26 -4.83 114.28 114.82 1c89 n THR 68 Ca -0.01 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.05 61.47 1c89 n THR 68 Cb 0.49 -2.10 -0.03 0.00 -1.82 0.00 0.00 70.33 66.87 1c89 n THR 68 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1c89 s SER 69 N -6.74 6.62 0.00 8.00 0.01 -1.26 -4.96 113.70 115.36 1c89 s SER 69 Ca -0.31 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.36 1c89 s SER 69 Cb 0.09 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1c89 s SER 69 CO 0.46 -1.07 0.00 -0.81 0.41 0.00 0.00 173.24 172.23 1c89 n PRO 70 N 7.30 0.00 0.00 12.44 -0.04 -1.26 -4.75 135.00 148.70 1c89 n PRO 70 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1c89 n PRO 70 Cb 0.48 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 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 1.89 0.46 2.41 0.55 0.00 -1.26 -3.80 105.19 105.44 1c89 n GLY 71 Ca 0.00 0.74 -0.31 0.00 0.00 0.00 0.00 46.02 46.45 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 7.18 -4.66 0.99 4.77 -1.26 -4.94 117.00 119.08 1c89 n LEU 72 Ca 0.00 -4.31 -0.43 0.00 -0.03 0.00 0.00 56.01 51.24 1c89 n LEU 72 Cb 0.00 -1.34 -0.02 0.00 -2.33 0.00 0.00 43.42 39.73 1c89 n LEU 72 CO 0.00 1.89 1.02 -1.59 -1.33 0.00 0.00 177.39 177.38 1c89 s LYS 73 N -0.76 4.21 0.31 3.23 -2.85 -1.25 -4.26 119.74 118.38 1c89 s LYS 73 Ca 0.59 1.49 0.03 0.00 -1.00 0.00 0.00 55.97 57.08 1c89 s LYS 73 Cb 0.28 -3.72 -0.03 0.00 -2.06 0.00 0.00 37.83 32.29 1c89 s LYS 73 CO -0.13 -0.71 0.47 0.45 0.10 0.00 0.00 175.35 175.53 1c89 s SER 74 N 1.71 6.28 -0.13 0.03 0.15 0.43 -4.10 113.70 118.07 1c89 s SER 74 Ca 0.50 0.26 -0.29 0.00 0.70 0.00 0.00 55.95 57.12 1c89 s SER 74 Cb -0.18 -1.91 -0.01 0.00 -1.71 0.00 0.00 66.02 62.21 1c89 s SER 74 CO 0.12 -0.22 1.05 -0.69 1.20 0.00 0.00 173.24 174.70 1c89 s VAL 75 N -2.18 4.66 -0.01 4.45 1.01 -0.84 0.10 120.40 127.59 1c89 s VAL 75 Ca 0.38 1.95 0.07 0.00 0.00 0.00 0.00 61.98 64.38 1c89 s VAL 75 Cb -0.09 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 1c89 s VAL 75 CO 0.33 -0.04 -0.22 -0.69 0.00 0.00 0.00 175.10 174.47 1c89 s VAL 76 N 2.37 1.77 -0.81 2.92 1.01 0.14 -1.32 120.40 126.48 1c89 s VAL 76 Ca 0.49 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 1c89 s VAL 76 Cb -0.19 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.76 1c89 s VAL 76 CO 0.16 0.48 1.30 0.00 0.00 0.00 0.00 175.10 177.04 1c89 s ALA 77 N -0.54 2.78 0.25 5.51 0.00 0.18 -0.35 121.76 129.58 1c89 s ALA 77 Ca 0.09 -1.66 -0.05 0.00 0.00 0.00 0.00 51.96 50.33 1c89 s ALA 77 Cb -0.09 -4.29 0.33 0.00 0.00 0.00 0.00 23.12 19.07 1c89 s ALA 77 CO -0.01 -3.33 1.87 -0.97 0.00 0.00 0.00 175.76 173.33 1c89 h ASN 78 N 9.91 0.93 -1.25 0.00 -0.73 -1.71 -0.61 115.58 122.12 1c89 h ASN 78 Ca -0.15 0.01 -0.49 0.00 1.87 0.00 0.00 56.30 57.54 1c89 h ASN 78 Cb 1.04 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.42 1c89 h ASN 78 CO 1.31 0.62 -0.30 -1.10 -0.37 0.00 0.00 177.43 177.58 1c89 s GLN 79 N -6.07 2.52 0.27 6.67 -0.21 -1.26 -0.88 119.66 120.70 1c89 s GLN 79 Ca -0.13 -1.57 -0.15 0.00 0.02 0.00 0.00 55.36 53.53 1c89 s GLN 79 Cb 0.18 -2.45 -0.08 0.00 1.00 0.00 0.00 33.01 31.66 1c89 s GLN 79 CO 0.80 -0.37 0.69 -1.17 -2.12 0.00 0.00 175.29 173.12 1c89 s LEU 80 N -4.27 4.17 -0.10 2.90 0.20 -1.23 -4.18 118.68 116.16 1c89 s LEU 80 Ca 0.49 1.25 0.04 0.00 0.69 0.00 0.00 54.13 56.61 1c89 s LEU 80 Cb -0.05 -3.85 -0.00 0.00 -0.43 0.00 0.00 46.19 41.86 1c89 s LEU 80 CO 0.29 -0.11 -0.24 -0.63 -0.29 0.00 0.00 176.35 175.38 1c89 s ILE 81 N -1.81 2.10 0.00 6.68 1.01 0.35 -4.96 121.20 124.57 1c89 s ILE 81 Ca 0.49 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 1c89 s ILE 81 Cb -0.12 -1.80 -0.16 0.00 0.01 0.00 0.00 42.46 40.39 1c89 s ILE 81 CO 0.19 0.56 2.74 -0.81 0.00 0.00 0.00 174.94 177.62 1c89 n PRO 82 N 3.47 1.46 -1.56 2.79 -0.04 -1.26 -2.32 135.00 137.53 1c89 n PRO 82 Ca -0.19 -0.59 0.01 0.00 -0.04 0.00 0.00 63.50 62.69 1c89 n PRO 82 Cb 0.53 -1.66 -0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1c89 n PRO 82 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1c89 n ILE 83 N 2.25 -2.66 -3.51 0.52 -0.00 -1.25 -4.79 119.36 109.92 1c89 n ILE 83 Ca 0.25 1.35 -0.35 0.00 -0.00 0.00 0.00 62.75 64.01 1c89 n ILE 83 Cb 0.68 -2.25 0.03 0.00 -0.00 0.00 0.00 39.64 38.10 1c89 n ILE 83 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 1c89 n ASN 84 N -2.68 -5.10 -3.53 4.38 0.23 0.33 -4.94 115.26 103.94 1c89 n ASN 84 Ca -0.00 -0.35 -0.20 0.00 -0.53 0.00 0.00 54.58 53.49 1c89 n ASN 84 Cb 0.47 -1.53 -0.14 0.00 -2.08 0.00 0.00 39.78 36.50 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1c89 s THR 85 N -1.76 -0.26 -0.84 5.53 2.01 -1.26 -4.85 115.64 114.21 1c89 s THR 85 Ca 0.29 -0.11 -0.19 0.00 0.31 0.00 0.00 61.69 61.99 1c89 s THR 85 Cb -0.03 -0.63 -0.21 0.00 0.01 0.00 0.00 72.50 71.64 1c89 s THR 85 CO 0.85 -0.21 2.21 0.00 -0.69 0.00 0.00 174.62 176.78 1c89 n ALA 86 N 5.31 0.60 -2.16 7.40 0.00 -1.25 -4.33 120.51 126.08 1c89 n ALA 86 Ca -0.06 -1.26 -0.38 0.00 0.00 0.00 0.00 53.44 51.74 1c89 n ALA 86 Cb 0.49 -2.82 -0.06 0.00 0.00 0.00 0.00 19.45 17.06 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 9.24 4.48 0.00 0.00 2.34 -0.95 -4.67 118.68 129.13 1c89 s LEU 87 Ca 0.99 1.38 0.00 0.00 0.06 0.00 0.00 54.13 56.57 1c89 s LEU 87 Cb -0.36 -3.21 -0.00 0.00 -0.56 0.00 0.00 46.19 42.06 1c89 s LEU 87 CO 0.25 0.18 0.00 0.35 -1.06 0.00 0.00 176.35 176.08 1c89 n THR 88 N 1.35 0.00 -0.19 5.48 -2.24 -1.26 0.24 114.28 117.66 1c89 n THR 88 Ca -0.07 -0.16 0.30 0.00 -2.27 0.00 0.00 64.05 61.85 1c89 n THR 88 Cb 0.50 0.04 0.68 0.00 -2.10 0.00 0.00 70.33 69.46 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 0.60 3.22 -0.00 -1.95 0.24 115.31 117.41 1c89 h LEU 89 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.83 1c89 h LEU 89 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 1c89 h LEU 89 CO 0.04 0.00 -0.30 0.58 -0.00 0.00 0.00 178.44 178.76 1c89 h VAL 90 N 0.00 0.00 0.00 0.15 2.07 -2.00 -2.84 116.25 113.63 1c89 h VAL 90 Ca 0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.97 1c89 h VAL 90 Cb 2.15 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1c89 h VAL 90 CO -0.00 0.00 0.00 0.23 0.02 0.00 0.00 177.57 177.82 1c89 n MET 91 N -4.24 0.19 -3.57 1.57 2.81 -0.70 -4.62 117.12 108.56 1c89 n MET 91 Ca -0.10 0.06 -0.40 0.00 -1.81 0.00 0.00 57.70 55.44 1c89 n MET 91 Cb 0.33 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.23 1c89 n MET 91 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1c89 s MET 92 N -2.78 3.24 -0.37 0.03 1.00 -0.01 -2.60 119.30 117.81 1c89 s MET 92 Ca 0.18 -0.81 -0.05 0.00 0.00 0.00 0.00 55.69 55.02 1c89 s MET 92 Cb 0.17 -3.75 0.07 0.00 0.00 0.00 0.00 34.83 31.32 1c89 s MET 92 CO 0.43 -0.53 0.14 0.15 0.00 0.00 0.00 175.02 175.20 1c89 s LYS 93 N 1.65 2.39 -0.69 2.03 1.02 0.53 -4.65 119.74 122.02 1c89 s LYS 93 Ca 0.05 -1.45 -0.26 0.00 0.02 0.00 0.00 55.97 54.33 1c89 s LYS 93 Cb -0.18 -3.50 -0.01 0.00 -0.52 0.00 0.00 37.83 33.62 1c89 s LYS 93 CO 0.08 -0.84 1.77 0.00 -0.92 0.00 0.00 175.35 175.45 1c89 s ALA 94 N 1.29 2.20 0.15 5.17 0.00 -1.25 -0.68 121.76 128.63 1c89 s ALA 94 Ca 0.01 -0.96 0.09 0.00 0.00 0.00 0.00 51.96 51.11 1c89 s ALA 94 Cb -0.21 -4.35 -0.04 0.00 0.00 0.00 0.00 23.12 18.52 1c89 s ALA 94 CO -0.00 -3.95 -0.22 -1.21 0.00 0.00 0.00 175.76 170.38 1c89 s GLU 95 N 6.77 1.30 -1.12 0.00 2.02 0.29 -4.64 118.70 123.32 1c89 s GLU 95 Ca 0.62 -1.35 -0.21 0.00 0.02 0.00 0.00 54.97 54.05 1c89 s GLU 95 Cb -0.10 -1.56 0.03 0.00 0.10 0.00 0.00 34.13 32.59 1c89 s GLU 95 CO 0.15 0.35 1.68 -2.00 0.02 0.00 0.00 175.26 175.46 1c89 s GLU 96 N -2.37 3.45 0.16 1.61 -6.30 -1.26 0.16 118.70 114.16 1c89 s GLU 96 Ca 0.14 -1.32 0.03 0.00 -2.50 0.00 0.00 54.97 51.32 1c89 s GLU 96 Cb -0.08 -5.37 -0.05 0.00 0.00 0.00 0.00 34.13 28.63 1c89 s GLU 96 CO 0.06 -2.60 -0.05 0.54 0.02 0.00 0.00 175.26 173.23 1c89 s VAL 97 N 6.16 0.90 0.22 3.70 0.11 -1.26 -4.87 120.40 125.35 1c89 s VAL 97 Ca 0.55 -2.01 0.08 0.00 -2.93 0.00 0.00 61.98 57.67 1c89 s VAL 97 Cb 0.00 -1.98 -0.04 0.00 -1.53 0.00 0.00 36.38 32.83 1c89 s VAL 97 CO 0.00 -0.62 0.06 -0.94 -3.33 0.00 0.00 175.10 170.28 1c89 s SER 98 N -3.17 4.98 0.96 3.54 1.04 -1.26 -4.21 113.70 115.57 1c89 s SER 98 Ca 0.20 -0.40 -0.15 0.00 0.48 0.00 0.00 55.95 56.08 1c89 s SER 98 Cb 0.05 -1.11 0.17 0.00 0.10 0.00 0.00 66.02 65.23 1c89 s SER 98 CO 0.02 0.03 1.21 -2.16 0.98 0.00 0.00 173.24 173.32 1c89 s PRO 99 N -3.39 0.74 -0.81 4.02 0.04 -1.26 -4.89 135.00 129.45 1c89 s PRO 99 Ca 0.30 -0.05 -0.24 0.00 0.04 0.00 0.00 61.00 61.06 1c89 s PRO 99 Cb -0.08 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.69 1c89 s PRO 99 CO 0.21 -2.41 1.22 -1.59 0.04 0.00 0.00 177.00 174.48 1c89 s LYS 100 N -5.57 3.32 0.00 4.56 -2.85 -1.26 -4.93 119.74 113.01 1c89 s LYS 100 Ca 0.68 -0.80 0.00 0.00 -1.00 0.00 0.00 55.97 54.85 1c89 s LYS 100 Cb -0.09 -4.58 0.00 0.00 -2.06 0.00 0.00 37.83 31.10 1c89 s LYS 100 CO 0.53 -2.03 0.00 0.41 0.10 0.00 0.00 175.35 174.36 1c89 n GLY 101 N 5.75 1.52 3.31 0.59 0.00 -1.26 -4.93 105.19 110.18 1c89 n GLY 101 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 3.82 1.08 -0.61 1.01 -0.57 -4.74 121.20 121.49 1c89 s ILE 102 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 1c89 s ILE 102 Cb 0.00 -3.02 0.23 0.00 0.01 0.00 0.00 42.46 39.67 1c89 s ILE 102 CO 0.00 0.01 1.12 -2.16 0.00 0.00 0.00 174.94 173.91 1c89 s PRO 103 N 1.46 -0.21 -0.32 2.79 0.04 -1.26 -1.99 135.00 135.50 1c89 s PRO 103 Ca 0.01 0.18 -0.02 0.00 0.04 0.00 0.00 61.00 61.21 1c89 s PRO 103 Cb -0.18 -1.69 0.13 0.00 0.04 0.00 0.00 34.50 32.80 1c89 s PRO 103 CO 0.02 -3.09 2.31 0.45 0.04 0.00 0.00 177.00 176.73 1c89 n SER 104 N -4.37 6.34 0.02 6.66 2.88 -1.26 -4.56 113.62 119.34 1c89 n SER 104 Ca 0.09 -3.03 -0.01 0.00 -1.33 0.00 0.00 58.87 54.58 1c89 n SER 104 Cb 0.59 -1.13 -0.01 0.00 -0.75 0.00 0.00 64.21 62.91 1c89 n SER 104 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1c89 h GLU 105 N 1.94 -0.08 -0.70 -1.46 5.08 -1.94 -3.35 114.58 114.06 1c89 h GLU 105 Ca 0.30 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.60 1c89 h GLU 105 Cb 0.90 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1c89 h GLU 105 CO 0.72 -0.05 0.07 0.39 -1.00 0.00 0.00 179.01 179.14 1c89 n GLU 106 N -2.72 3.93 -0.08 2.33 -0.58 -1.26 -4.46 120.64 117.81 1c89 n GLU 106 Ca -0.01 -2.58 0.15 0.00 -0.42 0.00 0.00 57.16 54.30 1c89 n GLU 106 Cb 0.03 -2.11 0.56 0.00 -0.57 0.00 0.00 31.44 29.35 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 2.96 0.82 -1.02 -3.67 6.09 -1.82 -0.93 117.51 119.93 1c89 h ILE 107 Ca 0.07 -0.10 0.25 0.00 -1.37 0.00 0.00 64.86 63.71 1c89 h ILE 107 Cb 1.83 0.51 -0.10 0.00 0.47 0.00 0.00 36.82 39.53 1c89 h ILE 107 CO 0.48 0.05 0.64 0.28 -3.07 0.00 0.00 178.15 176.53 1c89 h SER 108 N 0.29 0.56 0.58 2.19 0.02 -1.87 0.84 113.55 116.16 1c89 h SER 108 Ca 0.30 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.31 1c89 h SER 108 Cb 0.77 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1c89 h SER 108 CO -0.07 0.11 -1.45 0.29 -1.14 0.00 0.00 176.83 174.57 1c89 n LYS 109 N -4.72 0.63 -0.02 3.45 5.02 -0.40 -3.96 118.16 118.15 1c89 n LYS 109 Ca 0.26 0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.70 1c89 n LYS 109 Cb 0.80 -1.71 0.37 0.00 -0.02 0.00 0.00 35.03 34.47 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 -2.57 2.06 -4.73 -0.35 4.77 0.28 -4.88 117.00 111.58 1c89 n LEU 110 Ca -0.04 -0.72 -0.42 0.00 -0.03 0.00 0.00 56.01 54.80 1c89 n LEU 110 Cb 0.62 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 1c89 n LEU 110 CO 0.43 0.36 1.16 -0.69 -1.33 0.00 0.00 177.39 177.32 1c89 s VAL 111 N -1.94 2.67 -0.49 4.08 1.01 0.27 -1.79 120.40 124.21 1c89 s VAL 111 Ca 0.35 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1c89 s VAL 111 Cb 0.20 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1c89 s VAL 111 CO 0.32 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1c89 n GLY 112 N 3.01 0.73 3.80 4.51 0.00 0.64 -4.90 105.19 112.98 1c89 n GLY 112 Ca 0.10 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.14 3.18 -0.24 1.61 0.00 -0.74 -4.21 119.30 116.76 1c89 s MET 113 Ca 0.00 1.23 -0.13 0.00 0.00 0.00 0.00 55.69 56.79 1c89 s MET 113 Cb 0.00 -2.01 -0.04 0.00 0.00 0.00 0.00 34.83 32.77 1c89 s MET 113 CO 0.00 -0.92 0.26 -0.65 0.00 0.00 0.00 175.02 173.71 1c89 s GLN 114 N -4.14 4.08 0.40 3.16 -0.21 -1.26 -2.23 119.66 119.47 1c89 s GLN 114 Ca 0.64 -0.10 -0.10 0.00 0.02 0.00 0.00 55.36 55.83 1c89 s GLN 114 Cb -0.17 -3.57 -0.06 0.00 1.00 0.00 0.00 33.01 30.21 1c89 s GLN 114 CO 0.39 -0.05 0.76 0.54 -2.12 0.00 0.00 175.29 174.81 1c89 s VAL 115 N 1.36 4.81 -2.77 1.09 0.11 -1.26 -4.78 120.40 118.96 1c89 s VAL 115 Ca 0.12 0.55 0.23 0.00 -2.93 0.00 0.00 61.98 59.95 1c89 s VAL 115 Cb -0.14 -3.74 0.15 0.00 -1.53 0.00 0.00 36.38 31.11 1c89 s VAL 115 CO 0.07 -0.53 1.21 0.59 -3.33 0.00 0.00 175.10 173.11 1c89 n ASN 116 N -1.34 2.79 -4.49 3.54 4.13 -1.26 -0.51 115.26 118.11 1c89 n ASN 116 Ca 0.02 -1.89 -0.26 0.00 1.68 0.00 0.00 54.58 54.12 1c89 n ASN 116 Cb 0.54 0.09 -0.10 0.00 -1.54 0.00 0.00 39.78 38.77 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 -2.05 1.89 -0.03 3.52 1.04 -1.26 -4.70 118.95 117.36 1c89 s ARG 117 Ca 0.26 -2.11 -0.17 0.00 -1.04 0.00 0.00 55.73 52.66 1c89 s ARG 117 Cb 0.19 -1.14 -0.05 0.00 -2.04 0.00 0.00 34.95 31.91 1c89 s ARG 117 CO 0.34 -0.24 0.48 0.00 -0.04 0.00 0.00 175.30 175.84 1c89 s ALA 118 N -3.05 3.57 -0.13 7.88 0.00 -1.26 -3.88 121.76 124.89 1c89 s ALA 118 Ca 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 51.96 52.08 1c89 s ALA 118 Cb 0.07 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 1c89 s ALA 118 CO 0.14 0.25 -0.05 0.08 0.00 0.00 0.00 175.76 176.17 1c89 s VAL 119 N -0.35 3.76 0.00 0.00 1.01 -0.98 -4.91 120.40 118.93 1c89 s VAL 119 Ca 0.26 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1c89 s VAL 119 Cb -0.17 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1c89 s VAL 119 CO 0.14 0.53 0.00 -1.22 0.00 0.00 0.00 175.10 174.54 1c89 n TYR 120 N 3.19 -1.86 0.00 5.22 4.02 -1.26 0.13 117.16 126.60 1c89 n TYR 120 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 1c89 n TYR 120 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 1c89 n TYR 120 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1c89 n LEU 121 N 0.00 0.00 -4.32 7.72 7.99 -1.26 -3.51 117.00 123.62 1c89 n LEU 121 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.90 1c89 n LEU 121 Cb 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.22 1c89 n LEU 121 CO 0.00 -0.03 1.33 0.47 -1.51 0.00 0.00 177.39 177.64 1c89 n ASP 122 N 0.00 -0.71 -4.47 -1.43 9.92 -0.06 -4.41 116.55 115.39 1c89 n ASP 122 Ca 0.00 -1.41 -0.26 0.00 -0.53 0.00 0.00 54.79 52.59 1c89 n ASP 122 Cb 0.00 -0.95 -0.11 0.00 -0.64 0.00 0.00 41.12 39.43 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 6.75 1.69 0.08 -1.24 0.74 -0.55 -3.80 119.66 123.33 1c89 s GLN 123 Ca 0.63 -1.55 -0.30 0.00 0.05 0.00 0.00 55.36 54.19 1c89 s GLN 123 Cb -0.25 -1.89 -0.05 0.00 1.10 0.00 0.00 33.01 31.92 1c89 s GLN 123 CO 0.20 0.38 1.01 0.99 -0.55 0.00 0.00 175.29 177.32 1c89 s THR 124 N -1.95 4.50 0.20 -0.34 2.01 -1.26 0.47 115.64 119.27 1c89 s THR 124 Ca 0.25 1.96 -0.30 0.00 0.31 0.00 0.00 61.69 63.90 1c89 s THR 124 Cb -0.07 -4.25 -0.08 0.00 0.01 0.00 0.00 72.50 68.11 1c89 s THR 124 CO 0.13 0.24 0.99 -0.22 -0.69 0.00 0.00 174.62 175.06 1c89 s LEU 125 N 0.39 4.58 0.02 4.42 2.96 -0.43 -4.87 118.68 125.74 1c89 s LEU 125 Ca 0.50 1.96 0.06 0.00 -0.22 0.00 0.00 54.13 56.43 1c89 s LEU 125 Cb -0.24 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.83 1c89 s LEU 125 CO 0.30 0.01 -0.18 -0.04 -1.32 0.00 0.00 176.35 175.11 1c89 s MET 126 N -0.78 1.33 0.33 1.98 -1.94 -1.26 -1.51 119.30 117.45 1c89 s MET 126 Ca 0.44 -0.79 0.17 0.00 -1.71 0.00 0.00 55.69 53.81 1c89 s MET 126 Cb -0.26 -1.36 0.41 0.00 2.01 0.00 0.00 34.83 35.63 1c89 s MET 126 CO 0.33 0.36 1.60 -1.00 -0.01 0.00 0.00 175.02 176.30 1c89 h PRO 127 N 5.21 0.00 0.00 2.03 0.13 -1.86 -2.95 132.00 134.56 1c89 h PRO 127 Ca -0.40 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 1c89 h PRO 127 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1c89 h PRO 127 CO 0.46 0.44 -0.03 0.22 -0.23 0.00 0.00 178.00 178.86 1c89 h ASP 128 N 0.00 0.00 0.01 1.44 3.58 -1.98 -3.26 116.42 116.21 1c89 h ASP 128 Ca -0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.14 1c89 h ASP 128 Cb 1.12 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.13 1c89 h ASP 128 CO 0.06 0.03 -1.66 0.23 -2.88 0.00 0.00 179.24 175.01 1c89 n MET 129 N -3.13 0.59 -2.73 0.28 2.81 -1.17 -4.80 117.12 108.97 1c89 n MET 129 Ca 0.01 0.47 -0.43 0.00 -1.81 0.00 0.00 57.70 55.94 1c89 n MET 129 Cb 0.32 -1.68 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 1c89 n MET 129 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1c89 s VAL 130 N -2.42 4.41 -0.26 2.03 -7.23 -1.12 -4.74 120.40 111.07 1c89 s VAL 130 Ca -0.31 1.09 0.02 0.00 -1.81 0.00 0.00 61.98 60.97 1c89 s VAL 130 Cb 0.08 -4.47 0.30 0.00 0.56 0.00 0.00 36.38 32.85 1c89 s VAL 130 CO 0.58 -0.80 1.34 0.29 -0.31 0.00 0.00 175.10 176.20 1c89 n LYS 131 N 7.29 1.70 -1.69 4.82 4.76 -1.26 -4.26 118.16 129.51 1c89 n LYS 131 Ca 0.09 -1.29 -0.30 0.00 -2.87 0.00 0.00 58.31 53.94 1c89 n LYS 131 Cb 0.48 -1.55 0.05 0.00 -1.84 0.00 0.00 35.03 32.17 1c89 n LYS 131 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1c89 n ASN 132 N -0.14 6.32 -2.29 4.39 2.85 -1.26 -5.02 115.26 120.12 1c89 n ASN 132 Ca 0.24 -3.77 0.00 0.00 -0.11 0.00 0.00 54.58 50.94 1c89 n ASN 132 Cb 0.96 -0.67 0.00 0.00 1.24 0.00 0.00 39.78 41.31 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 -0.80 -3.28 1.45 1.20 4.19 -1.26 -4.99 117.16 113.66 1c89 n TYR 133 Ca 0.53 0.00 0.14 0.00 3.31 0.00 0.00 57.90 61.88 1c89 n TYR 133 Cb 0.80 0.00 0.48 0.00 0.49 0.00 0.00 39.34 41.11 1c89 n TYR 133 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16