#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 2.11 0.30 1.20 3.01 -1.26 -5.00 119.74 120.10 1c89 s LYS 2 Ca 0.00 -0.14 -0.29 0.00 -1.01 0.00 0.00 55.97 54.54 1c89 s LYS 2 Cb 0.00 -2.10 -0.10 0.00 -1.01 0.00 0.00 37.83 34.63 1c89 s LYS 2 CO 0.00 -1.36 1.12 0.00 0.51 0.00 0.00 175.35 175.62 1c89 s ALA 3 N -3.36 3.38 0.43 5.17 0.00 -1.26 -4.70 121.76 121.42 1c89 s ALA 3 Ca 0.61 0.92 0.02 0.00 0.00 0.00 0.00 51.96 53.51 1c89 s ALA 3 Cb -0.11 -3.34 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 1c89 s ALA 3 CO 0.46 -0.23 0.62 0.45 0.00 0.00 0.00 175.76 177.06 1c89 s SER 4 N -0.91 5.83 -0.95 0.00 0.15 0.67 -3.90 113.70 114.59 1c89 s SER 4 Ca 0.47 0.13 -0.21 0.00 0.70 0.00 0.00 55.95 57.03 1c89 s SER 4 Cb -0.32 -1.39 0.08 0.00 -1.71 0.00 0.00 66.02 62.68 1c89 s SER 4 CO 0.41 -0.66 1.28 -0.69 1.20 0.00 0.00 173.24 174.78 1c89 s VAL 5 N -2.47 4.27 -0.15 4.45 1.01 -1.06 -2.46 120.40 123.99 1c89 s VAL 5 Ca 0.48 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 1c89 s VAL 5 Cb -0.10 -4.92 -0.03 0.00 0.00 0.00 0.00 36.38 31.34 1c89 s VAL 5 CO 0.36 -1.73 -0.04 -0.69 0.00 0.00 0.00 175.10 173.00 1c89 s VAL 6 N 4.01 3.88 0.22 2.92 1.01 0.19 0.13 120.40 132.77 1c89 s VAL 6 Ca 0.39 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 1c89 s VAL 6 Cb -0.03 -2.70 -0.09 0.00 0.00 0.00 0.00 36.38 33.56 1c89 s VAL 6 CO -0.07 0.50 1.26 0.00 0.00 0.00 0.00 175.10 176.78 1c89 s ALA 7 N 0.30 3.49 -0.09 5.51 0.00 -0.75 0.09 121.76 130.31 1c89 s ALA 7 Ca -0.04 1.06 -0.21 0.00 0.00 0.00 0.00 51.96 52.78 1c89 s ALA 7 Cb -0.14 -3.45 -0.29 0.00 0.00 0.00 0.00 23.12 19.25 1c89 s ALA 7 CO 0.03 -0.47 0.72 -2.95 0.00 0.00 0.00 175.76 173.10 1c89 h ASN 8 N 4.91 0.35 -1.89 0.00 -1.07 -1.70 0.27 115.58 116.45 1c89 h ASN 8 Ca -0.45 -0.90 -0.48 0.00 0.07 0.00 0.00 56.30 54.54 1c89 h ASN 8 Cb 1.22 -0.11 0.09 0.00 -2.07 0.00 0.00 38.32 37.44 1c89 h ASN 8 CO 0.74 1.42 0.11 0.00 0.07 0.00 0.00 177.43 179.77 1c89 s GLN 9 N -2.41 1.53 0.34 4.14 -2.07 -1.26 -2.57 119.66 117.37 1c89 s GLN 9 Ca -0.17 -1.26 -0.20 0.00 -1.82 0.00 0.00 55.36 51.90 1c89 s GLN 9 Cb 0.02 -2.33 -0.10 0.00 -1.09 0.00 0.00 33.01 29.51 1c89 s GLN 9 CO 0.78 -1.56 0.85 -1.17 -1.32 0.00 0.00 175.29 172.87 1c89 s LEU 10 N -5.18 4.12 -0.10 2.60 0.20 -1.26 -4.12 118.68 114.94 1c89 s LEU 10 Ca 0.68 1.56 0.04 0.00 0.69 0.00 0.00 54.13 57.10 1c89 s LEU 10 Cb -0.04 -4.15 0.00 0.00 -0.43 0.00 0.00 46.19 41.57 1c89 s LEU 10 CO 0.45 -0.19 -0.23 -0.63 -0.29 0.00 0.00 176.35 175.46 1c89 s ILE 11 N -1.90 2.01 0.00 6.68 1.09 0.49 -4.97 121.20 124.61 1c89 s ILE 11 Ca 0.54 -0.99 0.00 0.00 -1.10 0.00 0.00 60.65 59.10 1c89 s ILE 11 Cb -0.13 -1.75 0.00 0.00 -1.06 0.00 0.00 42.46 39.53 1c89 s ILE 11 CO 0.18 0.55 0.00 -0.81 -0.10 0.00 0.00 174.94 174.76 1c89 n PRO 12 N 3.60 1.07 -3.35 2.79 -0.04 -1.26 0.35 135.00 138.16 1c89 n PRO 12 Ca -0.19 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.94 1c89 n PRO 12 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 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 4.86 -0.64 0.52 -1.09 -1.26 -4.33 121.20 119.26 1c89 s ILE 13 Ca 0.00 0.65 -0.15 0.00 -2.23 0.00 0.00 60.65 58.92 1c89 s ILE 13 Cb 0.00 -3.65 0.02 0.00 -1.58 0.00 0.00 42.46 37.25 1c89 s ILE 13 CO 0.00 -0.01 0.64 0.59 -1.23 0.00 0.00 174.94 174.92 1c89 n ASN 14 N 0.05 -5.88 -3.75 3.58 5.03 -0.71 -4.88 115.26 108.70 1c89 n ASN 14 Ca -0.00 -0.38 -0.25 0.00 0.87 0.00 0.00 54.58 54.82 1c89 n ASN 14 Cb 0.52 -2.66 -0.17 0.00 -1.02 0.00 0.00 39.78 36.45 1c89 n ASN 14 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1c89 s THR 15 N -2.44 0.41 -0.72 3.41 2.01 -1.26 -4.80 115.64 112.26 1c89 s THR 15 Ca 0.16 -0.15 -0.26 0.00 0.31 0.00 0.00 61.69 61.76 1c89 s THR 15 Cb -0.02 -0.72 -0.07 0.00 0.01 0.00 0.00 72.50 71.69 1c89 s THR 15 CO 0.85 0.06 2.17 0.00 -0.69 0.00 0.00 174.62 177.01 1c89 s ALA 16 N 1.94 1.47 0.53 7.40 0.00 -1.25 -3.73 121.76 128.13 1c89 s ALA 16 Ca 0.03 -0.78 -0.18 0.00 0.00 0.00 0.00 51.96 51.02 1c89 s ALA 16 Cb -0.14 -4.46 -0.12 0.00 0.00 0.00 0.00 23.12 18.40 1c89 s ALA 16 CO -0.06 -4.88 0.20 1.28 0.00 0.00 0.00 175.76 172.30 1c89 n LEU 17 N 15.54 -1.44 -4.59 0.00 4.77 -1.08 -4.18 117.00 126.03 1c89 n LEU 17 Ca 0.37 0.70 -0.27 0.00 -0.03 0.00 0.00 56.01 56.78 1c89 n LEU 17 Cb 0.49 -1.01 -0.11 0.00 -2.33 0.00 0.00 43.42 40.46 1c89 n LEU 17 CO 0.63 -3.91 -0.31 0.42 -1.33 0.00 0.00 177.39 172.89 1c89 s THR 18 N -1.86 1.99 0.28 -5.08 -4.23 -1.26 0.22 115.64 105.71 1c89 s THR 18 Ca 0.63 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1c89 s THR 18 Cb -0.47 -2.92 0.28 0.00 1.34 0.00 0.00 72.50 70.73 1c89 s THR 18 CO 0.60 -0.04 1.87 -0.07 -0.54 0.00 0.00 174.62 176.44 1c89 h LEU 19 N 1.84 0.96 -0.07 4.79 -0.00 -1.94 0.13 115.31 121.02 1c89 h LEU 19 Ca -0.43 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.45 1c89 h LEU 19 Cb 1.24 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 41.72 1c89 h LEU 19 CO 0.78 0.57 -0.03 0.40 -0.00 0.00 0.00 178.44 180.17 1c89 h ILE 20 N 1.06 1.32 0.00 1.22 5.03 -2.02 -2.79 117.51 121.33 1c89 h ILE 20 Ca 0.45 -1.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.18 1c89 h ILE 20 Cb 0.32 1.85 0.00 0.00 -3.03 0.00 0.00 36.82 35.96 1c89 h ILE 20 CO -0.20 0.28 0.00 0.24 -0.68 0.00 0.00 178.15 177.79 1c89 h MET 21 N -0.23 0.00 -5.18 2.37 2.86 -1.84 -3.41 114.93 109.50 1c89 h MET 21 Ca 0.02 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.01 1c89 h MET 21 Cb 0.46 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.97 1c89 h MET 21 CO 0.01 0.00 -0.12 1.41 1.06 0.00 0.00 176.91 179.27 1c89 s MET 22 N -3.40 3.70 -0.18 1.72 0.00 0.40 -2.07 119.30 119.47 1c89 s MET 22 Ca 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 55.69 55.54 1c89 s MET 22 Cb 0.09 -3.77 -0.02 0.00 0.00 0.00 0.00 34.83 31.13 1c89 s MET 22 CO 0.39 -0.55 -0.05 0.21 0.00 0.00 0.00 175.02 175.02 1c89 s LYS 23 N 2.27 3.52 -1.17 4.11 2.20 0.11 -4.87 119.74 125.91 1c89 s LYS 23 Ca 0.17 -0.58 -0.07 0.00 -0.36 0.00 0.00 55.97 55.13 1c89 s LYS 23 Cb -0.16 -2.92 0.24 0.00 -1.51 0.00 0.00 37.83 33.48 1c89 s LYS 23 CO 0.12 0.06 1.61 0.00 -0.36 0.00 0.00 175.35 176.78 1c89 n ALA 24 N 4.05 5.11 -2.90 3.13 0.00 -1.25 0.55 120.51 129.20 1c89 n ALA 24 Ca -0.18 -4.57 -0.25 0.00 0.00 0.00 0.00 53.44 48.44 1c89 n ALA 24 Cb 0.52 -2.65 -0.04 0.00 0.00 0.00 0.00 19.45 17.29 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 -1.20 3.27 -1.30 0.00 2.12 -1.03 -4.56 118.70 116.01 1c89 s GLU 25 Ca 0.35 -0.71 -0.11 0.00 0.36 0.00 0.00 54.97 54.86 1c89 s GLU 25 Cb 0.05 -2.85 0.15 0.00 0.26 0.00 0.00 34.13 31.74 1c89 s GLU 25 CO 0.05 0.50 1.85 0.28 -0.54 0.00 0.00 175.26 177.39 1c89 n VAL 26 N -0.61 4.19 -4.28 3.70 0.31 -1.26 -0.24 118.33 120.13 1c89 n VAL 26 Ca -0.08 -4.25 -0.24 0.00 -0.01 0.00 0.00 64.34 59.77 1c89 n VAL 26 Cb 0.55 -2.41 -0.08 0.00 -0.91 0.00 0.00 33.84 30.99 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 1.14 2.95 0.24 2.52 -7.23 -1.26 -4.96 120.40 113.80 1c89 s VAL 27 Ca 0.42 -1.92 0.08 0.00 -1.81 0.00 0.00 61.98 58.74 1c89 s VAL 27 Cb 0.08 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 1c89 s VAL 27 CO -0.01 -0.26 0.11 0.42 -0.31 0.00 0.00 175.10 175.05 1c89 s THR 28 N -2.44 4.05 0.46 5.32 -4.23 -1.26 -3.82 115.64 113.73 1c89 s THR 28 Ca 0.34 -1.54 -0.21 0.00 -1.18 0.00 0.00 61.69 59.10 1c89 s THR 28 Cb -0.03 -3.16 -0.09 0.00 1.34 0.00 0.00 72.50 70.57 1c89 s THR 28 CO 0.20 -0.31 1.04 -2.16 -0.54 0.00 0.00 174.62 172.84 1c89 s PRO 29 N -3.63 3.91 -1.06 3.99 0.04 -1.26 -4.99 135.00 131.99 1c89 s PRO 29 Ca 0.32 1.38 -0.23 0.00 0.04 0.00 0.00 61.00 62.51 1c89 s PRO 29 Cb -0.08 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1c89 s PRO 29 CO 0.22 -0.34 1.85 0.00 0.04 0.00 0.00 177.00 178.77 1c89 s MET 30 N -3.07 2.85 0.00 4.56 0.23 -1.25 -4.89 119.30 117.74 1c89 s MET 30 Ca 0.65 -0.91 0.00 0.00 -1.03 0.00 0.00 55.69 54.40 1c89 s MET 30 Cb -0.17 -5.22 0.00 0.00 -1.53 0.00 0.00 34.83 27.91 1c89 s MET 30 CO 0.21 -3.29 0.00 0.41 -2.03 0.00 0.00 175.02 170.32 1c89 n GLY 31 N 6.33 -1.35 3.89 3.16 0.00 -1.26 -4.89 105.19 111.07 1c89 n GLY 31 Ca 0.42 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 46.07 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 5.47 1.10 -0.61 1.01 -0.88 -5.03 121.20 122.27 1c89 s ILE 32 Ca 0.00 0.09 -0.17 0.00 0.00 0.00 0.00 60.65 60.57 1c89 s ILE 32 Cb 0.00 -3.46 0.24 0.00 0.01 0.00 0.00 42.46 39.25 1c89 s ILE 32 CO 0.00 0.51 1.14 -2.16 0.00 0.00 0.00 174.94 174.43 1c89 s PRO 33 N -1.37 -0.43 -0.52 2.79 0.04 -1.26 -2.57 135.00 131.67 1c89 s PRO 33 Ca 0.20 0.01 0.02 0.00 0.04 0.00 0.00 61.00 61.26 1c89 s PRO 33 Cb -0.12 -1.68 0.58 0.00 0.04 0.00 0.00 34.50 33.31 1c89 s PRO 33 CO 0.10 -3.20 1.96 0.00 0.04 0.00 0.00 177.00 175.89 1c89 n ALA 34 N -4.41 5.84 -0.10 8.56 0.00 -1.25 -4.49 120.51 124.66 1c89 n ALA 34 Ca 0.11 -3.07 -0.11 0.00 0.00 0.00 0.00 53.44 50.38 1c89 n ALA 34 Cb 0.59 -1.57 -0.04 0.00 0.00 0.00 0.00 19.45 18.44 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 1.36 0.53 -0.97 0.00 4.81 -1.93 -2.83 114.58 115.55 1c89 h GLU 35 Ca 0.62 -0.18 -0.35 0.00 -0.13 0.00 0.00 59.36 59.32 1c89 h GLU 35 Cb 2.08 -0.04 -0.21 0.00 0.63 0.00 0.00 28.75 31.21 1c89 h GLU 35 CO 1.27 0.70 0.44 -0.85 -0.73 0.00 0.00 179.01 179.84 1c89 n GLU 36 N -4.55 2.11 -0.34 1.92 0.00 -1.26 -4.64 120.64 113.88 1c89 n GLU 36 Ca -0.03 -2.23 -0.04 0.00 0.00 0.00 0.00 57.16 54.87 1c89 n GLU 36 Cb 0.28 -1.89 0.01 0.00 0.00 0.00 0.00 31.44 29.84 1c89 n GLU 36 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1c89 h ILE 37 N 0.95 0.04 0.00 3.84 1.08 -1.82 2.50 117.51 124.10 1c89 h ILE 37 Ca 0.43 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.90 1c89 h ILE 37 Cb 2.31 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 36.10 1c89 h ILE 37 CO 0.77 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.42 1c89 n PRO 38 N -5.44 0.06 -0.13 2.37 -0.04 -1.26 -0.86 135.00 129.70 1c89 n PRO 38 Ca 0.07 0.30 -0.17 0.00 -0.04 0.00 0.00 63.50 63.66 1c89 n PRO 38 Cb 0.37 -1.61 -0.12 0.00 -0.04 0.00 0.00 33.50 32.11 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 -1.71 2.02 -0.28 3.54 4.05 0.69 -4.33 115.26 119.23 1c89 n ASN 39 Ca 0.03 -0.13 0.14 0.00 0.45 0.00 0.00 54.58 55.07 1c89 n ASN 39 Cb 0.19 -0.38 0.58 0.00 1.23 0.00 0.00 39.78 41.40 1c89 n ASN 39 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1c89 n LEU 40 N -3.23 0.95 -4.76 1.20 0.00 0.65 -4.86 117.00 106.95 1c89 n LEU 40 Ca -0.44 -0.27 -0.35 0.00 0.00 0.00 0.00 56.01 54.95 1c89 n LEU 40 Cb 0.98 -0.06 0.03 0.00 0.00 0.00 0.00 43.42 44.36 1c89 n LEU 40 CO 0.25 0.16 0.79 -0.69 0.00 0.00 0.00 177.39 177.91 1c89 s VAL 41 N -2.20 2.97 0.00 1.96 1.01 -0.04 -2.48 120.40 121.62 1c89 s VAL 41 Ca 0.35 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1c89 s VAL 41 Cb 0.21 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1c89 s VAL 41 CO 0.41 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1c89 n GLY 42 N 0.10 0.29 3.70 4.51 0.00 0.59 -4.84 105.19 109.54 1c89 n GLY 42 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.89 4.37 0.28 1.61 1.00 -1.04 -3.84 119.30 120.80 1c89 s MET 43 Ca 0.00 1.77 -0.28 0.00 0.00 0.00 0.00 55.69 57.18 1c89 s MET 43 Cb 0.00 -3.46 -0.09 0.00 0.00 0.00 0.00 34.83 31.27 1c89 s MET 43 CO 0.00 -0.39 0.94 -0.65 0.00 0.00 0.00 175.02 174.92 1c89 s GLN 44 N 1.74 4.72 0.69 2.03 -0.21 -1.24 -2.63 119.66 124.75 1c89 s GLN 44 Ca 0.59 1.40 -0.05 0.00 0.02 0.00 0.00 55.36 57.32 1c89 s GLN 44 Cb -0.28 -3.04 0.07 0.00 1.00 0.00 0.00 33.01 30.76 1c89 s GLN 44 CO 0.26 0.40 0.98 0.14 -2.12 0.00 0.00 175.29 174.96 1c89 s VAL 45 N -1.40 2.32 -0.69 1.09 -7.23 -1.25 -4.34 120.40 108.90 1c89 s VAL 45 Ca 0.45 -0.37 0.20 0.00 -1.81 0.00 0.00 61.98 60.46 1c89 s VAL 45 Cb -0.22 -2.95 -0.25 0.00 0.56 0.00 0.00 36.38 33.52 1c89 s VAL 45 CO 0.28 0.00 0.74 0.59 -0.31 0.00 0.00 175.10 176.40 1c89 n ASN 46 N -2.85 0.76 -3.77 4.85 4.13 -1.19 -1.73 115.26 115.46 1c89 n ASN 46 Ca 0.09 -0.70 -0.15 0.00 1.68 0.00 0.00 54.58 55.50 1c89 n ASN 46 Cb 0.60 1.26 -0.09 0.00 -1.54 0.00 0.00 39.78 40.02 1c89 n ASN 46 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1c89 s ARG 47 N -3.05 1.50 0.26 3.52 0.52 -1.26 -4.78 118.95 115.66 1c89 s ARG 47 Ca 0.03 -1.78 -0.30 0.00 -0.52 0.00 0.00 55.73 53.17 1c89 s ARG 47 Cb 0.15 0.32 -0.09 0.00 0.52 0.00 0.00 34.95 35.84 1c89 s ARG 47 CO 0.84 -0.54 1.06 0.00 0.02 0.00 0.00 175.30 176.68 1c89 s ALA 48 N -3.77 3.39 -0.07 2.13 0.00 -1.26 -4.42 121.76 117.76 1c89 s ALA 48 Ca 0.38 0.82 0.06 0.00 0.00 0.00 0.00 51.96 53.22 1c89 s ALA 48 Cb 0.04 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 1c89 s ALA 48 CO 0.19 -0.07 -0.24 0.08 0.00 0.00 0.00 175.76 175.71 1c89 s VAL 49 N -1.11 2.02 0.62 0.00 1.01 0.15 -5.00 120.40 118.10 1c89 s VAL 49 Ca 0.44 -1.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1c89 s VAL 49 Cb -0.30 -1.72 0.15 0.00 0.00 0.00 0.00 36.38 34.51 1c89 s VAL 49 CO 0.38 0.56 0.58 -0.81 0.00 0.00 0.00 175.10 175.81 1c89 n PRO 50 N 3.09 -1.94 -2.63 2.72 -0.04 -1.26 -0.38 135.00 134.57 1c89 n PRO 50 Ca -0.18 -0.92 -0.33 0.00 -0.04 0.00 0.00 63.50 62.04 1c89 n PRO 50 Cb 0.52 -0.83 -0.05 0.00 -0.04 0.00 0.00 33.50 33.10 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 3.80 -1.53 1.53 1.02 -1.26 -3.57 118.68 118.68 1c89 s LEU 51 Ca 0.37 1.66 0.00 0.00 0.02 0.00 0.00 54.13 56.17 1c89 s LEU 51 Cb -0.03 -4.53 0.00 0.00 0.02 0.00 0.00 46.19 41.65 1c89 s LEU 51 CO 0.28 -0.48 0.00 0.61 0.02 0.00 0.00 176.35 176.78 1c89 n GLY 52 N -1.00 -0.31 3.60 -3.19 0.00 0.93 -4.90 105.19 100.33 1c89 n GLY 52 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.84 4.39 0.83 2.61 2.01 -1.07 -4.72 115.64 116.85 1c89 s THR 53 Ca 0.00 1.15 -0.14 0.00 0.31 0.00 0.00 61.69 63.01 1c89 s THR 53 Cb 0.00 -4.48 0.03 0.00 0.01 0.00 0.00 72.50 68.06 1c89 s THR 53 CO 0.00 -0.80 0.74 1.07 -0.69 0.00 0.00 174.62 174.94 1c89 n THR 54 N 6.43 1.29 -2.17 -0.82 5.66 -1.26 -1.80 114.28 121.61 1c89 n THR 54 Ca 0.09 -0.26 -0.41 0.00 -3.05 0.00 0.00 64.05 60.42 1c89 n THR 54 Cb 0.48 -0.87 -0.03 0.00 -1.55 0.00 0.00 70.33 68.37 1c89 n THR 54 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1c89 s LEU 55 N -2.48 3.39 0.05 1.09 2.96 0.34 -4.78 118.68 119.25 1c89 s LEU 55 Ca 0.66 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 55.14 1c89 s LEU 55 Cb -0.29 -2.99 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 1c89 s LEU 55 CO 0.58 -1.94 0.14 -0.04 -1.32 0.00 0.00 176.35 173.78 1c89 s MET 56 N 6.08 3.19 0.36 1.98 -1.94 -1.26 -2.07 119.30 125.64 1c89 s MET 56 Ca 0.65 -0.52 0.18 0.00 -1.71 0.00 0.00 55.69 54.29 1c89 s MET 56 Cb -0.14 -2.91 0.56 0.00 2.01 0.00 0.00 34.83 34.35 1c89 s MET 56 CO 0.26 0.61 1.67 -1.00 -0.01 0.00 0.00 175.02 176.55 1c89 h PRO 57 N 3.36 0.00 0.13 2.03 0.13 -1.93 -1.77 132.00 133.94 1c89 h PRO 57 Ca -0.46 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.36 1c89 h PRO 57 Cb 1.17 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.33 1c89 h PRO 57 CO 0.70 0.40 -1.26 -0.44 -0.23 0.00 0.00 178.00 177.16 1c89 h ASP 58 N 0.00 0.88 1.27 1.44 5.19 -1.95 -3.25 116.42 120.00 1c89 h ASP 58 Ca -0.00 -0.82 0.00 0.00 -0.62 0.00 0.00 57.03 55.59 1c89 h ASP 58 Cb 1.00 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1c89 h ASP 58 CO 0.05 1.62 -0.24 0.24 -3.12 0.00 0.00 179.24 177.78 1c89 h MET 59 N 0.27 0.00 -5.18 3.56 2.86 -1.98 -3.44 114.93 111.02 1c89 h MET 59 Ca -0.19 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 56.83 1c89 h MET 59 Cb 1.93 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 33.45 1c89 h MET 59 CO 0.24 0.00 -0.52 0.08 1.06 0.00 0.00 176.91 177.77 1c89 s VAL 60 N -3.13 5.16 0.00 -2.22 1.01 -0.67 -3.14 120.40 117.41 1c89 s VAL 60 Ca 0.09 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1c89 s VAL 60 Cb 0.12 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1c89 s VAL 60 CO 0.65 0.40 0.00 1.17 0.00 0.00 0.00 175.10 177.32 1c89 n LYS 61 N 3.91 3.07 -1.96 2.72 4.81 -1.26 -4.58 118.16 124.87 1c89 n LYS 61 Ca -0.16 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 56.98 1c89 n LYS 61 Cb 0.52 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.51 1c89 n LYS 61 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1c89 n ASN 62 N 0.00 3.07 0.00 3.14 5.15 -1.26 -4.86 115.26 120.50 1c89 n ASN 62 Ca 0.00 -2.70 0.00 0.00 -0.60 0.00 0.00 54.58 51.28 1c89 n ASN 62 Cb 0.00 -1.66 0.00 0.00 -0.53 0.00 0.00 39.78 37.59 1c89 n ASN 62 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c89 n TYR 63 N 13.27 0.00 -0.32 1.20 0.18 -1.26 -5.02 117.16 125.21 1c89 n TYR 63 Ca 0.46 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.24 1c89 n TYR 63 Cb 0.46 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.42 1c89 n TYR 63 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1c89 n GLU 64 N 0.00 0.57 -0.91 -3.48 -0.58 -1.26 -4.87 120.64 110.12 1c89 n GLU 64 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 1c89 n GLU 64 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1c89 n ASP 65 N 0.00 5.83 0.17 1.62 9.92 -1.26 -4.38 116.55 128.45 1c89 n ASP 65 Ca 0.00 -2.75 0.13 0.00 -0.53 0.00 0.00 54.79 51.64 1c89 n ASP 65 Cb 0.00 -1.20 0.52 0.00 -0.64 0.00 0.00 41.12 39.80 1c89 n ASP 65 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1c89 h GLY 66 N 3.52 0.00 -3.76 0.44 0.00 -1.95 -3.43 103.07 97.89 1c89 h GLY 66 Ca 0.20 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.02 1c89 h GLY 66 CO 0.42 0.00 0.22 -0.51 0.00 0.00 0.00 176.54 176.67 1c89 s THR 67 N -3.38 4.34 0.00 4.70 -4.23 -1.26 -5.04 115.64 110.77 1c89 s THR 67 Ca 0.04 1.69 0.00 0.00 -1.18 0.00 0.00 61.69 62.24 1c89 s THR 67 Cb 0.09 -4.08 0.00 0.00 1.34 0.00 0.00 72.50 69.86 1c89 s THR 67 CO 0.46 0.38 0.00 0.35 -0.54 0.00 0.00 174.62 175.26 1c89 n THR 68 N 1.18 0.00 -3.05 3.99 -2.24 -1.26 -4.84 114.28 108.05 1c89 n THR 68 Ca -0.03 0.10 -0.36 0.00 -2.27 0.00 0.00 64.05 61.50 1c89 n THR 68 Cb 0.49 -0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 67.99 1c89 n THR 68 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1c89 s SER 69 N -1.57 7.05 0.00 3.42 0.15 -1.26 -5.04 113.70 116.46 1c89 s SER 69 Ca 0.00 1.47 0.00 0.00 0.70 0.00 0.00 55.95 58.12 1c89 s SER 69 Cb 0.00 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1c89 s SER 69 CO 0.00 -0.03 0.01 -0.81 1.20 0.00 0.00 173.24 173.61 1c89 n PRO 70 N 0.51 0.00 0.00 5.44 -0.04 -1.26 -4.75 135.00 134.90 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 0.51 -0.19 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 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 1.98 0.31 2.26 0.55 0.00 -1.26 -4.06 105.19 104.96 1c89 n GLY 71 Ca 0.00 0.32 -0.23 0.00 0.00 0.00 0.00 46.02 46.11 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 6.38 -4.64 0.99 4.77 -1.26 -4.91 117.00 118.33 1c89 n LEU 72 Ca 0.00 -3.81 -0.43 0.00 -0.03 0.00 0.00 56.01 51.74 1c89 n LEU 72 Cb 0.00 -1.37 -0.02 0.00 -2.33 0.00 0.00 43.42 39.70 1c89 n LEU 72 CO 0.00 1.79 1.07 -1.59 -1.33 0.00 0.00 177.39 177.33 1c89 s LYS 73 N -0.02 4.00 0.31 3.23 -2.85 -1.26 -4.33 119.74 118.82 1c89 s LYS 73 Ca 0.63 1.23 0.05 0.00 -1.00 0.00 0.00 55.97 56.88 1c89 s LYS 73 Cb 0.31 -3.82 -0.02 0.00 -2.06 0.00 0.00 37.83 32.25 1c89 s LYS 73 CO -0.09 -1.00 0.45 0.45 0.10 0.00 0.00 175.35 175.26 1c89 s SER 74 N 2.30 6.13 0.07 0.03 0.15 0.39 -4.29 113.70 118.49 1c89 s SER 74 Ca 0.52 0.03 -0.30 0.00 0.70 0.00 0.00 55.95 56.89 1c89 s SER 74 Cb -0.16 -1.59 -0.05 0.00 -1.71 0.00 0.00 66.02 62.51 1c89 s SER 74 CO 0.19 -0.30 1.12 -0.69 1.20 0.00 0.00 173.24 174.77 1c89 s VAL 75 N -2.15 4.20 -0.05 4.45 1.01 0.01 0.50 120.40 128.38 1c89 s VAL 75 Ca 0.40 1.64 0.02 0.00 0.00 0.00 0.00 61.98 64.05 1c89 s VAL 75 Cb -0.09 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1c89 s VAL 75 CO 0.31 0.16 -0.09 -0.69 0.00 0.00 0.00 175.10 174.79 1c89 s VAL 76 N 0.74 0.90 -1.15 2.92 1.01 -0.60 -1.12 120.40 123.11 1c89 s VAL 76 Ca 0.55 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 1c89 s VAL 76 Cb -0.27 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1c89 s VAL 76 CO 0.30 0.30 1.85 0.00 0.00 0.00 0.00 175.10 177.55 1c89 s ALA 77 N 0.65 2.21 0.58 5.51 0.00 0.32 -1.18 121.76 129.87 1c89 s ALA 77 Ca -0.12 -2.23 0.28 0.00 0.00 0.00 0.00 51.96 49.89 1c89 s ALA 77 Cb -0.14 -4.64 1.65 0.00 0.00 0.00 0.00 23.12 19.99 1c89 s ALA 77 CO 0.02 -4.57 2.11 -0.97 0.00 0.00 0.00 175.76 172.36 1c89 h ASN 78 N 9.49 0.00 -3.90 0.00 -0.73 -1.68 0.17 115.58 118.93 1c89 h ASN 78 Ca 0.25 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.31 1c89 h ASN 78 Cb 0.94 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.52 1c89 h ASN 78 CO 1.30 0.00 -0.05 0.00 -0.37 0.00 0.00 177.43 178.30 1c89 n GLN 79 N -3.85 1.37 -3.93 6.67 6.02 -1.25 -2.35 117.38 120.06 1c89 n GLN 79 Ca 0.01 -0.64 -0.35 0.00 -0.01 0.00 0.00 57.00 56.01 1c89 n GLN 79 Cb 0.30 0.08 -0.10 0.00 1.02 0.00 0.00 30.24 31.54 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1c89 s LEU 80 N 0.00 3.80 -0.14 1.08 0.20 -1.25 -3.46 118.68 118.91 1c89 s LEU 80 Ca 0.05 0.04 0.02 0.00 0.69 0.00 0.00 54.13 54.94 1c89 s LEU 80 Cb -0.00 -1.98 0.01 0.00 -0.43 0.00 0.00 46.19 43.79 1c89 s LEU 80 CO 0.03 0.13 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.39 1c89 s ILE 81 N 0.65 1.94 0.51 6.68 1.09 -0.78 -4.97 121.20 126.31 1c89 s ILE 81 Ca 0.04 -0.90 -0.20 0.00 -1.10 0.00 0.00 60.65 58.49 1c89 s ILE 81 Cb -0.13 -1.72 -0.07 0.00 -1.06 0.00 0.00 42.46 39.48 1c89 s ILE 81 CO 0.01 0.53 1.07 -2.16 -0.10 0.00 0.00 174.94 174.29 1c89 s PRO 82 N 0.88 3.60 0.57 2.79 0.04 -1.26 -0.39 135.00 141.23 1c89 s PRO 82 Ca -0.06 1.44 -0.18 0.00 0.04 0.00 0.00 61.00 62.24 1c89 s PRO 82 Cb -0.15 -2.06 -0.15 0.00 0.04 0.00 0.00 34.50 32.18 1c89 s PRO 82 CO -0.03 -0.61 -0.20 -0.89 0.04 0.00 0.00 177.00 175.31 1c89 n ILE 83 N -1.17 0.05 -3.46 0.56 5.41 -1.25 -3.25 119.36 116.26 1c89 n ILE 83 Ca 0.10 -0.50 -0.29 0.00 1.00 0.00 0.00 62.75 63.06 1c89 n ILE 83 Cb 0.52 -0.02 0.02 0.00 -0.71 0.00 0.00 39.64 39.46 1c89 n ILE 83 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1c89 n ASN 84 N 2.58 -5.83 -3.52 4.38 5.03 -0.06 -4.93 115.26 112.91 1c89 n ASN 84 Ca 0.07 -0.25 -0.21 0.00 0.87 0.00 0.00 54.58 55.06 1c89 n ASN 84 Cb 0.48 -2.41 -0.14 0.00 -1.02 0.00 0.00 39.78 36.69 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 -2.09 -0.26 -0.88 3.41 2.01 -1.20 -4.81 115.64 111.82 1c89 s THR 85 Ca 0.25 -0.15 -0.19 0.00 0.31 0.00 0.00 61.69 61.92 1c89 s THR 85 Cb -0.03 -0.66 -0.23 0.00 0.01 0.00 0.00 72.50 71.59 1c89 s THR 85 CO 0.86 -0.24 2.30 0.00 -0.69 0.00 0.00 174.62 176.85 1c89 n ALA 86 N 5.31 0.69 -2.26 7.40 0.00 -1.24 -3.99 120.51 126.41 1c89 n ALA 86 Ca -0.06 -1.14 -0.39 0.00 0.00 0.00 0.00 53.44 51.86 1c89 n ALA 86 Cb 0.49 -2.89 -0.06 0.00 0.00 0.00 0.00 19.45 16.99 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 8.31 4.53 0.50 0.00 2.34 -0.40 -4.69 118.68 129.27 1c89 s LEU 87 Ca 1.10 1.30 0.01 0.00 0.06 0.00 0.00 54.13 56.61 1c89 s LEU 87 Cb -0.45 -2.94 -0.01 0.00 -0.56 0.00 0.00 46.19 42.23 1c89 s LEU 87 CO 0.30 0.26 0.04 0.42 -1.06 0.00 0.00 176.35 176.31 1c89 s THR 88 N -1.05 0.87 0.63 5.48 -4.23 -1.26 0.81 115.64 116.89 1c89 s THR 88 Ca 0.30 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.06 1c89 s THR 88 Cb -0.20 -2.10 0.29 0.00 1.34 0.00 0.00 72.50 71.84 1c89 s THR 88 CO 0.20 0.00 1.70 0.17 -0.54 0.00 0.00 174.62 176.15 1c89 h LEU 89 N 1.41 0.00 0.00 4.79 -0.00 -1.96 -1.65 115.31 117.91 1c89 h LEU 89 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.47 1c89 h LEU 89 Cb 1.31 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.97 1c89 h LEU 89 CO 0.67 0.00 -0.01 0.58 -0.00 0.00 0.00 178.44 179.69 1c89 h VAL 90 N 0.00 0.00 0.00 0.15 2.07 -2.01 -2.78 116.25 113.69 1c89 h VAL 90 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1c89 h VAL 90 Cb 1.30 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1c89 h VAL 90 CO -0.00 0.00 0.00 0.24 0.02 0.00 0.00 177.57 177.83 1c89 h MET 91 N -0.01 0.00 -5.79 1.57 2.86 -1.87 -3.43 114.93 108.26 1c89 h MET 91 Ca -0.00 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.06 1c89 h MET 91 Cb 0.01 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.59 1c89 h MET 91 CO -0.00 0.00 0.13 -1.64 1.06 0.00 0.00 176.91 176.46 1c89 s MET 92 N -3.22 4.28 -0.30 1.72 1.00 -0.65 -2.46 119.30 119.67 1c89 s MET 92 Ca 0.08 0.72 0.03 0.00 0.00 0.00 0.00 55.69 56.51 1c89 s MET 92 Cb 0.09 -3.54 0.08 0.00 0.00 0.00 0.00 34.83 31.47 1c89 s MET 92 CO 0.59 -0.16 -0.00 0.15 0.00 0.00 0.00 175.02 175.61 1c89 s LYS 93 N 1.61 1.62 -0.67 2.03 1.02 -0.32 -4.61 119.74 120.41 1c89 s LYS 93 Ca 0.32 -1.53 -0.26 0.00 0.02 0.00 0.00 55.97 54.51 1c89 s LYS 93 Cb -0.16 -2.92 -0.02 0.00 -0.52 0.00 0.00 37.83 34.22 1c89 s LYS 93 CO 0.12 -0.80 1.80 0.00 -0.92 0.00 0.00 175.35 175.55 1c89 s ALA 94 N 1.09 2.19 0.28 5.17 0.00 -1.26 -1.55 121.76 127.69 1c89 s ALA 94 Ca 0.03 -0.86 0.09 0.00 0.00 0.00 0.00 51.96 51.23 1c89 s ALA 94 Cb -0.19 -4.33 -0.05 0.00 0.00 0.00 0.00 23.12 18.54 1c89 s ALA 94 CO -0.09 -3.93 -0.13 -1.21 0.00 0.00 0.00 175.76 170.41 1c89 s GLU 95 N 6.86 1.62 -0.92 0.00 0.41 0.18 -4.64 118.70 122.20 1c89 s GLU 95 Ca 0.63 -1.78 -0.22 0.00 -0.41 0.00 0.00 54.97 53.19 1c89 s GLU 95 Cb -0.11 -1.49 0.07 0.00 -1.78 0.00 0.00 34.13 30.82 1c89 s GLU 95 CO 0.17 0.19 1.29 -2.00 -0.49 0.00 0.00 175.26 174.42 1c89 s GLU 96 N -3.61 3.50 0.15 1.61 -6.30 -1.26 0.15 118.70 112.93 1c89 s GLU 96 Ca 0.29 -1.17 0.01 0.00 -2.50 0.00 0.00 54.97 51.61 1c89 s GLU 96 Cb -0.00 -4.97 -0.04 0.00 0.00 0.00 0.00 34.13 29.11 1c89 s GLU 96 CO 0.13 -2.04 -0.00 0.54 0.02 0.00 0.00 175.26 173.91 1c89 s VAL 97 N 4.33 0.57 0.13 3.70 0.11 -1.26 -4.77 120.40 123.21 1c89 s VAL 97 Ca 0.38 -1.95 0.06 0.00 -2.93 0.00 0.00 61.98 57.54 1c89 s VAL 97 Cb -0.04 -2.00 -0.04 0.00 -1.53 0.00 0.00 36.38 32.77 1c89 s VAL 97 CO -0.05 -0.57 0.02 -0.94 -3.33 0.00 0.00 175.10 170.24 1c89 s SER 98 N -3.12 5.03 1.06 3.54 1.04 -1.26 -4.09 113.70 115.90 1c89 s SER 98 Ca 0.21 -0.24 -0.17 0.00 0.48 0.00 0.00 55.95 56.22 1c89 s SER 98 Cb 0.06 -1.18 0.24 0.00 0.10 0.00 0.00 66.02 65.24 1c89 s SER 98 CO 0.01 0.13 1.24 -2.16 0.98 0.00 0.00 173.24 173.44 1c89 s PRO 99 N -2.67 -0.14 -0.74 4.02 0.04 -1.26 -4.76 135.00 129.50 1c89 s PRO 99 Ca 0.27 -0.30 -0.26 0.00 0.04 0.00 0.00 61.00 60.76 1c89 s PRO 99 Cb -0.11 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1c89 s PRO 99 CO 0.19 -2.95 1.63 -1.59 0.04 0.00 0.00 177.00 174.32 1c89 s LYS 100 N -5.72 2.92 0.00 4.56 0.00 -1.26 -4.94 119.74 115.30 1c89 s LYS 100 Ca 0.73 0.01 0.00 0.00 0.00 0.00 0.00 55.97 56.71 1c89 s LYS 100 Cb -0.06 -4.51 0.00 0.00 0.00 0.00 0.00 37.83 33.26 1c89 s LYS 100 CO 0.54 -2.56 0.00 0.41 0.00 0.00 0.00 175.35 173.74 1c89 n GLY 101 N 5.87 -0.41 3.45 0.59 0.00 -1.26 -4.96 105.19 108.47 1c89 n GLY 101 Ca 0.18 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 3.88 0.49 -0.61 1.01 0.24 -4.81 121.20 121.40 1c89 s ILE 102 Ca 0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 60.65 60.10 1c89 s ILE 102 Cb 0.00 -2.74 -0.07 0.00 0.01 0.00 0.00 42.46 39.66 1c89 s ILE 102 CO 0.00 0.45 1.09 -2.16 0.00 0.00 0.00 174.94 174.32 1c89 s PRO 103 N 0.82 3.67 -0.23 2.79 0.04 -1.26 -0.81 135.00 140.03 1c89 s PRO 103 Ca -0.00 1.52 -0.06 0.00 0.04 0.00 0.00 61.00 62.50 1c89 s PRO 103 Cb -0.14 -2.14 -0.19 0.00 0.04 0.00 0.00 34.50 32.07 1c89 s PRO 103 CO 0.02 -0.57 3.40 -1.13 0.04 0.00 0.00 177.00 178.76 1c89 n SER 104 N -0.94 5.78 0.12 6.66 3.41 -1.26 -4.38 113.62 123.01 1c89 n SER 104 Ca 0.09 -2.64 -0.24 0.00 -0.26 0.00 0.00 58.87 55.83 1c89 n SER 104 Cb 0.51 -1.39 -0.16 0.00 -0.26 0.00 0.00 64.21 62.91 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 3.18 0.49 -0.27 4.33 4.11 -1.95 -3.35 114.58 121.11 1c89 h GLU 105 Ca 0.29 -0.83 0.00 0.00 0.07 0.00 0.00 59.36 58.89 1c89 h GLU 105 Cb 1.26 0.31 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1c89 h GLU 105 CO 0.49 1.40 0.00 0.39 0.07 0.00 0.00 179.01 181.36 1c89 n GLU 106 N -3.71 2.35 -0.32 1.06 1.02 -1.26 -4.63 120.64 115.14 1c89 n GLU 106 Ca -0.19 -1.85 0.13 0.00 -0.02 0.00 0.00 57.16 55.23 1c89 n GLU 106 Cb 1.08 -1.26 0.32 0.00 -0.02 0.00 0.00 31.44 31.56 1c89 n GLU 106 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1c89 h ILE 107 N 2.05 0.56 -1.30 -3.67 6.09 -1.84 0.12 117.51 119.52 1c89 h ILE 107 Ca 0.00 -0.18 0.44 0.00 -1.37 0.00 0.00 64.86 63.75 1c89 h ILE 107 Cb 0.67 -0.01 -0.13 0.00 0.47 0.00 0.00 36.82 37.82 1c89 h ILE 107 CO 0.00 0.09 0.83 -1.28 -3.07 0.00 0.00 178.15 174.73 1c89 h SER 108 N 0.52 0.25 0.52 2.19 0.87 -1.85 1.47 113.55 117.52 1c89 h SER 108 Ca 0.57 0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 61.23 1c89 h SER 108 Cb 1.02 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 1c89 h SER 108 CO -0.47 -0.21 -1.53 0.29 -0.53 0.00 0.00 176.83 174.39 1c89 n LYS 109 N -4.74 0.63 -0.20 2.24 4.01 0.38 -4.03 118.16 116.45 1c89 n LYS 109 Ca 0.38 0.01 0.12 0.00 -0.51 0.00 0.00 58.31 58.30 1c89 n LYS 109 Cb 1.43 -1.69 0.25 0.00 -0.51 0.00 0.00 35.03 34.50 1c89 n LYS 109 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1c89 n LEU 110 N -2.56 3.26 -4.72 -0.35 4.77 0.39 -4.94 117.00 112.85 1c89 n LEU 110 Ca -0.05 -1.43 -0.42 0.00 -0.03 0.00 0.00 56.01 54.08 1c89 n LEU 110 Cb 0.64 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1c89 n LEU 110 CO 0.43 0.72 1.30 -0.69 -1.33 0.00 0.00 177.39 177.81 1c89 s VAL 111 N -1.48 2.26 -0.43 4.08 1.01 0.41 -1.61 120.40 124.63 1c89 s VAL 111 Ca 0.39 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1c89 s VAL 111 Cb 0.22 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1c89 s VAL 111 CO 0.31 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1c89 n GLY 112 N 3.58 0.63 3.81 4.51 0.00 0.24 -4.91 105.19 113.04 1c89 n GLY 112 Ca 0.14 -0.85 -0.33 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 -2.64 3.41 -0.19 1.61 0.00 -0.63 -4.18 119.30 116.67 1c89 s MET 113 Ca 0.00 1.19 -0.17 0.00 0.00 0.00 0.00 55.69 56.71 1c89 s MET 113 Cb 0.00 -2.05 -0.04 0.00 0.00 0.00 0.00 34.83 32.75 1c89 s MET 113 CO 0.00 -0.74 0.44 -0.65 0.00 0.00 0.00 175.02 174.08 1c89 s GLN 114 N -4.02 4.20 0.60 3.16 -0.21 -1.26 -1.27 119.66 120.87 1c89 s GLN 114 Ca 0.63 0.30 -0.13 0.00 0.02 0.00 0.00 55.36 56.19 1c89 s GLN 114 Cb -0.16 -3.53 -0.04 0.00 1.00 0.00 0.00 33.01 30.28 1c89 s GLN 114 CO 0.35 -0.04 1.03 0.54 -2.12 0.00 0.00 175.29 175.05 1c89 s VAL 115 N 1.30 4.51 -0.89 1.09 0.11 -1.26 -4.78 120.40 120.50 1c89 s VAL 115 Ca 0.21 0.93 0.21 0.00 -2.93 0.00 0.00 61.98 60.40 1c89 s VAL 115 Cb -0.15 -3.73 -0.24 0.00 -1.53 0.00 0.00 36.38 30.73 1c89 s VAL 115 CO 0.09 -0.95 0.84 -0.46 -3.33 0.00 0.00 175.10 171.29 1c89 n ASN 116 N -2.47 0.89 -4.44 3.54 6.94 -1.26 -0.88 115.26 117.58 1c89 n ASN 116 Ca 0.07 -0.89 -0.29 0.00 -0.02 0.00 0.00 54.58 53.45 1c89 n ASN 116 Cb 0.54 1.10 -0.08 0.00 -2.36 0.00 0.00 39.78 38.98 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1c89 s ARG 117 N -3.03 2.04 0.26 -3.83 1.81 -1.26 -4.63 118.95 110.32 1c89 s ARG 117 Ca 0.06 -2.27 -0.15 0.00 -1.72 0.00 0.00 55.73 51.65 1c89 s ARG 117 Cb 0.16 -1.08 -0.08 0.00 -0.45 0.00 0.00 34.95 33.50 1c89 s ARG 117 CO 0.86 -0.40 0.68 0.00 -0.68 0.00 0.00 175.30 175.77 1c89 s ALA 118 N -3.04 3.41 -0.00 2.13 0.00 -1.26 -3.79 121.76 119.21 1c89 s ALA 118 Ca 0.16 0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.19 1c89 s ALA 118 Cb 0.03 -2.71 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 1c89 s ALA 118 CO 0.09 0.37 -0.18 0.08 0.00 0.00 0.00 175.76 176.13 1c89 s VAL 119 N -1.77 1.42 0.00 0.00 1.01 0.48 -4.89 120.40 116.65 1c89 s VAL 119 Ca 0.48 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1c89 s VAL 119 Cb -0.13 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.06 1c89 s VAL 119 CO 0.19 0.34 0.00 -1.22 0.00 0.00 0.00 175.10 174.41 1c89 n TYR 120 N 2.48 -0.49 0.00 5.22 4.01 -1.26 -1.87 117.16 125.24 1c89 n TYR 120 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1c89 n TYR 120 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 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 -4.50 7.72 7.99 -1.23 -3.85 117.00 123.14 1c89 n LEU 121 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.80 1c89 n LEU 121 Cb 0.00 0.00 -0.20 0.00 -0.11 0.00 0.00 43.42 43.11 1c89 n LEU 121 CO 0.00 0.00 1.91 -0.90 -1.51 0.00 0.00 177.39 176.89 1c89 n ASP 122 N 0.00 -0.92 -4.42 -1.43 5.75 0.45 -4.37 116.55 111.61 1c89 n ASP 122 Ca 0.00 -0.74 -0.30 0.00 -0.01 0.00 0.00 54.79 53.74 1c89 n ASP 122 Cb 0.00 -0.73 -0.13 0.00 -1.03 0.00 0.00 41.12 39.23 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1c89 s GLN 123 N 7.29 1.87 -0.08 0.11 0.74 -0.35 -4.55 119.66 124.68 1c89 s GLN 123 Ca 1.22 -1.09 -0.30 0.00 0.05 0.00 0.00 55.36 55.24 1c89 s GLN 123 Cb -0.70 -2.08 -0.02 0.00 1.10 0.00 0.00 33.01 31.31 1c89 s GLN 123 CO 0.47 0.51 1.05 0.95 -0.55 0.00 0.00 175.29 177.72 1c89 s THR 124 N -0.93 4.67 0.06 -0.34 -4.23 -1.26 0.12 115.64 113.73 1c89 s THR 124 Ca 0.14 1.95 -0.31 0.00 -1.18 0.00 0.00 61.69 62.29 1c89 s THR 124 Cb -0.10 -4.25 -0.06 0.00 1.34 0.00 0.00 72.50 69.43 1c89 s THR 124 CO 0.05 0.02 1.27 -0.22 -0.54 0.00 0.00 174.62 175.19 1c89 s LEU 125 N 1.96 4.36 0.13 4.79 2.96 -0.27 -4.90 118.68 127.70 1c89 s LEU 125 Ca 0.50 2.09 0.08 0.00 -0.22 0.00 0.00 54.13 56.59 1c89 s LEU 125 Cb -0.20 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 1c89 s LEU 125 CO 0.20 -0.55 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.44 1c89 s MET 126 N 1.29 1.19 0.35 1.98 -1.94 -1.26 -0.59 119.30 120.32 1c89 s MET 126 Ca 0.61 -1.27 0.17 0.00 -1.71 0.00 0.00 55.69 53.49 1c89 s MET 126 Cb -0.31 -1.38 0.57 0.00 2.01 0.00 0.00 34.83 35.72 1c89 s MET 126 CO 0.29 0.30 1.69 -1.00 -0.01 0.00 0.00 175.02 176.29 1c89 h PRO 127 N 3.73 0.00 0.00 2.03 0.13 -1.87 -2.38 132.00 133.64 1c89 h PRO 127 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1c89 h PRO 127 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1c89 h PRO 127 CO 0.44 0.43 -0.02 -0.44 -0.23 0.00 0.00 178.00 178.19 1c89 h ASP 128 N 0.00 0.00 0.03 1.44 5.19 -2.01 -3.30 116.42 117.78 1c89 h ASP 128 Ca -0.00 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.11 1c89 h ASP 128 Cb 0.98 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.45 1c89 h ASP 128 CO 0.06 0.02 -1.65 0.80 -3.12 0.00 0.00 179.24 175.35 1c89 n MET 129 N -3.11 0.62 -2.84 3.56 1.56 -1.09 -4.79 117.12 111.04 1c89 n MET 129 Ca 0.02 0.44 -0.43 0.00 -0.27 0.00 0.00 57.70 57.47 1c89 n MET 129 Cb 0.43 -1.70 -0.04 0.00 2.15 0.00 0.00 33.22 34.06 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 -2.44 4.53 -2.00 1.12 1.01 -0.92 -4.61 120.40 117.10 1c89 s VAL 130 Ca -0.29 0.84 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1c89 s VAL 130 Cb 0.07 -4.38 0.09 0.00 0.00 0.00 0.00 36.38 32.16 1c89 s VAL 130 CO 0.63 -0.72 1.08 2.29 0.00 0.00 0.00 175.10 178.37 1c89 n LYS 131 N 6.98 1.24 -0.00 2.72 -0.00 -1.26 -3.25 118.16 124.59 1c89 n LYS 131 Ca 0.06 -0.37 0.07 0.00 -0.00 0.00 0.00 58.31 58.07 1c89 n LYS 131 Cb 0.48 -1.08 -0.09 0.00 -0.00 0.00 0.00 35.03 34.34 1c89 n LYS 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1c89 n ASN 132 N -0.20 0.83 -4.76 -5.58 4.13 -1.26 -4.98 115.26 103.45 1c89 n ASN 132 Ca 0.04 -0.72 -0.41 0.00 1.68 0.00 0.00 54.58 55.16 1c89 n ASN 132 Cb 0.09 1.12 -0.01 0.00 -1.54 0.00 0.00 39.78 39.44 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1c89 s TYR 133 N -2.57 2.73 -2.24 3.10 5.04 -1.20 -5.13 117.35 117.08 1c89 s TYR 133 Ca 0.04 0.90 0.30 0.00 -2.44 0.00 0.00 57.07 55.87 1c89 s TYR 133 Cb 0.12 -4.04 1.50 0.00 0.35 0.00 0.00 41.96 39.89 1c89 s TYR 133 CO 0.64 -3.36 2.00 0.39 -1.34 0.00 0.00 175.55 173.89