#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c89 n LYS 2 N 0.00 -1.97 -2.45 -3.83 4.76 -1.26 -4.98 118.16 108.43 1c89 n LYS 2 Ca 0.00 -1.85 -0.35 0.00 -2.87 0.00 0.00 58.31 53.24 1c89 n LYS 2 Cb 0.00 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 31.75 1c89 n LYS 2 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1c89 s ALA 3 N -3.59 2.93 0.23 7.82 0.00 -1.26 -4.65 121.76 123.24 1c89 s ALA 3 Ca 0.70 0.73 0.06 0.00 0.00 0.00 0.00 51.96 53.45 1c89 s ALA 3 Cb -0.04 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1c89 s ALA 3 CO 0.51 -0.41 0.23 0.45 0.00 0.00 0.00 175.76 176.55 1c89 s SER 4 N -1.71 5.76 -0.90 0.00 0.15 -0.04 -3.96 113.70 113.00 1c89 s SER 4 Ca 0.64 -0.14 -0.23 0.00 0.70 0.00 0.00 55.95 56.93 1c89 s SER 4 Cb -0.21 -1.54 0.07 0.00 -1.71 0.00 0.00 66.02 62.62 1c89 s SER 4 CO 0.26 -0.03 1.27 -0.69 1.20 0.00 0.00 173.24 175.25 1c89 s VAL 5 N -2.03 4.14 -0.28 4.45 1.01 0.18 -2.34 120.40 125.53 1c89 s VAL 5 Ca 0.33 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 1c89 s VAL 5 Cb -0.09 -4.91 0.02 0.00 0.00 0.00 0.00 36.38 31.40 1c89 s VAL 5 CO 0.26 -1.75 0.02 -0.69 0.00 0.00 0.00 175.10 172.94 1c89 s VAL 6 N 4.41 3.53 0.12 2.92 1.01 0.96 -1.17 120.40 132.19 1c89 s VAL 6 Ca 0.37 -0.83 -0.35 0.00 0.00 0.00 0.00 61.98 61.17 1c89 s VAL 6 Cb -0.05 -2.82 -0.15 0.00 0.00 0.00 0.00 36.38 33.37 1c89 s VAL 6 CO -0.03 0.12 1.51 0.00 0.00 0.00 0.00 175.10 176.70 1c89 n ALA 7 N 4.79 0.55 0.08 5.51 0.00 -0.69 -2.10 120.51 128.65 1c89 n ALA 7 Ca -0.15 0.46 -0.23 0.00 0.00 0.00 0.00 53.44 53.52 1c89 n ALA 7 Cb 0.47 -2.26 -0.15 0.00 0.00 0.00 0.00 19.45 17.51 1c89 n ALA 7 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1c89 h ASN 8 N 5.58 0.64 -2.01 0.00 -1.07 -1.83 0.13 115.58 117.02 1c89 h ASN 8 Ca -0.46 -0.92 -0.47 0.00 0.07 0.00 0.00 56.30 54.51 1c89 h ASN 8 Cb 1.28 -0.21 0.09 0.00 -2.07 0.00 0.00 38.32 37.42 1c89 h ASN 8 CO 0.85 1.67 0.13 0.00 0.07 0.00 0.00 177.43 180.16 1c89 s GLN 9 N -2.54 1.45 0.17 4.14 -2.07 -1.26 -2.65 119.66 116.90 1c89 s GLN 9 Ca -0.14 -1.22 -0.14 0.00 -1.82 0.00 0.00 55.36 52.04 1c89 s GLN 9 Cb 0.04 -2.30 -0.07 0.00 -1.09 0.00 0.00 33.01 29.59 1c89 s GLN 9 CO 0.87 -1.63 0.57 -1.17 -1.32 0.00 0.00 175.29 172.61 1c89 s LEU 10 N -5.23 4.30 -0.14 2.60 0.20 -1.26 -4.17 118.68 114.99 1c89 s LEU 10 Ca 0.69 1.09 0.03 0.00 0.69 0.00 0.00 54.13 56.62 1c89 s LEU 10 Cb -0.04 -3.38 0.01 0.00 -0.43 0.00 0.00 46.19 42.35 1c89 s LEU 10 CO 0.46 0.06 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.73 1c89 s ILE 11 N -1.54 2.06 0.00 6.68 1.01 0.00 -4.95 121.20 124.47 1c89 s ILE 11 Ca 0.40 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1c89 s ILE 11 Cb -0.14 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.51 1c89 s ILE 11 CO 0.19 0.55 0.00 -0.81 0.00 0.00 0.00 174.94 174.88 1c89 n PRO 12 N 4.05 0.85 -3.31 2.79 -0.04 -1.26 0.13 135.00 138.20 1c89 n PRO 12 Ca -0.20 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.92 1c89 n PRO 12 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 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 -0.09 4.82 -0.87 0.52 -1.09 -1.26 -4.43 121.20 118.80 1c89 s ILE 13 Ca 0.00 0.81 -0.05 0.00 -2.23 0.00 0.00 60.65 59.19 1c89 s ILE 13 Cb 0.00 -3.71 -0.01 0.00 -1.58 0.00 0.00 42.46 37.17 1c89 s ILE 13 CO 0.00 0.12 0.70 0.59 -1.23 0.00 0.00 174.94 175.12 1c89 n ASN 14 N 0.44 -6.33 -3.78 3.58 3.02 -0.92 -4.94 115.26 106.34 1c89 n ASN 14 Ca -0.03 -0.58 -0.14 0.00 -0.03 0.00 0.00 54.58 53.81 1c89 n ASN 14 Cb 0.52 -3.80 -0.14 0.00 -0.61 0.00 0.00 39.78 35.75 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 -3.12 -0.04 0.45 3.41 2.01 -1.26 -4.89 115.64 112.20 1c89 s THR 15 Ca 0.13 0.14 -0.20 0.00 0.31 0.00 0.00 61.69 62.07 1c89 s THR 15 Cb -0.04 -0.17 -0.10 0.00 0.01 0.00 0.00 72.50 72.19 1c89 s THR 15 CO 0.82 0.06 0.96 0.00 -0.69 0.00 0.00 174.62 175.76 1c89 s ALA 16 N 0.83 3.05 0.10 7.40 0.00 -1.24 -3.67 121.76 128.24 1c89 s ALA 16 Ca -0.07 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.24 1c89 s ALA 16 Cb -0.09 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1c89 s ALA 16 CO -0.04 0.02 0.18 -0.51 0.00 0.00 0.00 175.76 175.42 1c89 s LEU 17 N -3.45 4.13 0.00 0.00 1.43 -1.07 -4.77 118.68 114.95 1c89 s LEU 17 Ca 0.61 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 1c89 s LEU 17 Cb -0.09 -2.75 -0.00 0.00 0.03 0.00 0.00 46.19 43.38 1c89 s LEU 17 CO 0.19 0.13 0.00 0.35 0.23 0.00 0.00 176.35 177.25 1c89 n THR 18 N 0.06 0.00 -0.22 5.49 -2.24 -1.26 0.27 114.28 116.38 1c89 n THR 18 Ca -0.07 -2.28 -0.05 0.00 -2.27 0.00 0.00 64.05 59.38 1c89 n THR 18 Cb 0.52 0.47 0.05 0.00 -2.10 0.00 0.00 70.33 69.27 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 0.67 -0.42 3.22 3.38 -1.98 -1.52 115.31 118.65 1c89 h LEU 19 Ca -0.40 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 1c89 h LEU 19 Cb 1.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1c89 h LEU 19 CO 0.66 0.47 -0.09 0.40 0.09 0.00 0.00 178.44 179.97 1c89 h ILE 20 N 0.79 1.27 0.00 1.22 5.03 -2.04 -2.28 117.51 121.50 1c89 h ILE 20 Ca 0.24 -1.18 0.00 0.00 -0.12 0.00 0.00 64.86 63.80 1c89 h ILE 20 Cb -0.03 1.18 0.00 0.00 -3.03 0.00 0.00 36.82 34.94 1c89 h ILE 20 CO -0.08 0.40 0.00 0.80 -0.68 0.00 0.00 178.15 178.59 1c89 n MET 21 N -4.32 0.15 -4.26 2.37 1.56 -0.99 -4.55 117.12 107.09 1c89 n MET 21 Ca -0.01 0.18 -0.34 0.00 -0.27 0.00 0.00 57.70 57.26 1c89 n MET 21 Cb 0.36 -1.50 -0.14 0.00 2.15 0.00 0.00 33.22 34.09 1c89 n MET 21 CO 0.00 0.00 0.00 1.41 -0.73 0.00 0.00 175.97 176.65 1c89 s MET 22 N -2.66 3.33 -0.23 2.12 1.75 -0.61 -3.20 119.30 119.80 1c89 s MET 22 Ca 0.12 -0.67 -0.04 0.00 -1.25 0.00 0.00 55.69 53.84 1c89 s MET 22 Cb 0.09 -2.81 -0.01 0.00 2.84 0.00 0.00 34.83 34.95 1c89 s MET 22 CO 0.22 -0.04 -0.02 0.15 -0.65 0.00 0.00 175.02 174.67 1c89 s LYS 23 N 1.02 3.39 -1.22 4.11 1.02 -0.89 -4.88 119.74 122.29 1c89 s LYS 23 Ca -0.01 -0.62 -0.06 0.00 0.02 0.00 0.00 55.97 55.30 1c89 s LYS 23 Cb -0.15 -3.07 0.20 0.00 -0.52 0.00 0.00 37.83 34.30 1c89 s LYS 23 CO -0.01 -0.21 1.99 0.00 -0.92 0.00 0.00 175.35 176.19 1c89 n ALA 24 N 4.81 5.98 -2.84 5.17 0.00 -1.25 -0.03 120.51 132.36 1c89 n ALA 24 Ca -0.18 -4.37 -0.30 0.00 0.00 0.00 0.00 53.44 48.59 1c89 n ALA 24 Cb 0.51 -2.67 -0.05 0.00 0.00 0.00 0.00 19.45 17.24 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 -1.51 3.12 -1.26 0.00 2.12 -0.99 -4.47 118.70 115.71 1c89 s GLU 25 Ca 0.43 -0.60 -0.17 0.00 0.36 0.00 0.00 54.97 55.00 1c89 s GLU 25 Cb 0.14 -2.85 0.10 0.00 0.26 0.00 0.00 34.13 31.78 1c89 s GLU 25 CO -0.04 0.58 1.63 0.08 -0.54 0.00 0.00 175.26 176.97 1c89 s VAL 26 N -1.47 4.42 0.34 3.70 1.01 -1.26 -0.86 120.40 126.29 1c89 s VAL 26 Ca 0.32 -2.14 0.04 0.00 0.00 0.00 0.00 61.98 60.19 1c89 s VAL 26 Cb -0.12 -5.10 -0.03 0.00 0.00 0.00 0.00 36.38 31.12 1c89 s VAL 26 CO 0.25 -1.89 0.15 0.68 0.00 0.00 0.00 175.10 174.28 1c89 s VAL 27 N 3.35 0.47 0.27 2.92 -7.23 -1.26 -4.95 120.40 113.97 1c89 s VAL 27 Ca 0.50 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.74 1c89 s VAL 27 Cb 0.02 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1c89 s VAL 27 CO 0.05 0.00 0.19 0.42 -0.31 0.00 0.00 175.10 175.45 1c89 s THR 28 N -3.43 4.20 1.02 5.32 -4.23 -1.26 -4.38 115.64 112.88 1c89 s THR 28 Ca 0.32 -1.45 -0.17 0.00 -1.18 0.00 0.00 61.69 59.21 1c89 s THR 28 Cb 0.04 -3.32 0.24 0.00 1.34 0.00 0.00 72.50 70.81 1c89 s THR 28 CO 0.17 -0.32 1.15 -0.81 -0.54 0.00 0.00 174.62 174.27 1c89 n PRO 29 N -1.19 -2.01 0.00 3.99 -0.04 -1.26 -4.98 135.00 129.52 1c89 n PRO 29 Ca -0.07 -1.80 0.00 0.00 -0.04 0.00 0.00 63.50 61.59 1c89 n PRO 29 Cb 0.58 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 1c89 n PRO 29 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1c89 n MET 30 N -4.08 -0.56 -3.95 0.54 2.81 -1.26 -4.88 117.12 105.75 1c89 n MET 30 Ca 0.15 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1c89 n MET 30 Cb 0.55 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.06 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 3.14 -0.68 3.71 3.03 0.00 -1.26 -4.74 105.19 108.40 1c89 n GLY 31 Ca 0.00 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.00 3.48 1.20 -0.61 1.01 -0.96 -4.82 121.20 117.50 1c89 s ILE 32 Ca 0.00 1.06 -0.20 0.00 0.00 0.00 0.00 60.65 61.51 1c89 s ILE 32 Cb 0.00 -3.68 0.29 0.00 0.01 0.00 0.00 42.46 39.08 1c89 s ILE 32 CO 0.00 0.08 1.17 -2.16 0.00 0.00 0.00 174.94 174.03 1c89 s PRO 33 N 1.10 -1.20 -0.11 2.79 0.04 -1.26 -0.65 135.00 135.71 1c89 s PRO 33 Ca 0.63 -0.28 0.10 0.00 0.04 0.00 0.00 61.00 61.48 1c89 s PRO 33 Cb -0.35 -1.62 0.47 0.00 0.04 0.00 0.00 34.50 33.04 1c89 s PRO 33 CO 0.30 -3.66 1.26 0.00 0.04 0.00 0.00 177.00 174.94 1c89 n ALA 34 N -4.68 3.12 -0.10 8.56 0.00 -1.25 -4.30 120.51 121.85 1c89 n ALA 34 Ca 0.16 -1.05 -0.11 0.00 0.00 0.00 0.00 53.44 52.43 1c89 n ALA 34 Cb 0.60 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 1c89 n ALA 34 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1c89 h GLU 35 N 2.43 0.56 -0.76 0.00 5.08 -1.92 -2.89 114.58 117.07 1c89 h GLU 35 Ca 0.00 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.08 1c89 h GLU 35 Cb 1.20 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.36 1c89 h GLU 35 CO 0.23 0.72 0.11 -0.85 -1.00 0.00 0.00 179.01 178.22 1c89 n GLU 36 N -4.53 3.43 -0.35 2.33 0.28 -1.26 -4.62 120.64 115.93 1c89 n GLU 36 Ca -0.03 -2.30 -0.04 0.00 -0.16 0.00 0.00 57.16 54.63 1c89 n GLU 36 Cb 0.29 -2.02 0.00 0.00 1.43 0.00 0.00 31.44 31.13 1c89 n GLU 36 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1c89 h ILE 37 N 2.43 0.03 0.00 3.84 1.08 -1.77 1.67 117.51 124.80 1c89 h ILE 37 Ca 0.11 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.58 1c89 h ILE 37 Cb 1.78 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.55 1c89 h ILE 37 CO 0.47 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.12 1c89 n PRO 38 N -5.42 0.35 -0.08 2.37 -0.04 -1.26 -1.37 135.00 129.55 1c89 n PRO 38 Ca 0.07 0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.49 1c89 n PRO 38 Cb 0.36 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 1c89 n PRO 38 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1c89 n ASN 39 N -1.08 1.83 -0.24 3.54 3.02 0.56 -4.56 115.26 118.31 1c89 n ASN 39 Ca 0.09 0.31 0.12 0.00 -0.03 0.00 0.00 54.58 55.07 1c89 n ASN 39 Cb 0.06 -0.69 0.60 0.00 -0.61 0.00 0.00 39.78 39.14 1c89 n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1c89 n LEU 40 N -4.32 0.75 -4.66 3.41 -0.00 -0.45 -4.84 117.00 106.89 1c89 n LEU 40 Ca -0.14 -0.28 -0.39 0.00 -0.00 0.00 0.00 56.01 55.19 1c89 n LEU 40 Cb 0.48 -0.03 0.04 0.00 -0.00 0.00 0.00 43.42 43.91 1c89 n LEU 40 CO 0.17 0.14 0.69 0.52 -0.00 0.00 0.00 177.39 178.92 1c89 n VAL 41 N -0.35 3.42 -1.23 1.47 0.31 -0.47 -1.46 118.33 120.02 1c89 n VAL 41 Ca 0.18 -0.50 -0.08 0.00 -0.01 0.00 0.00 64.34 63.93 1c89 n VAL 41 Cb 0.21 -1.32 -0.03 0.00 -0.91 0.00 0.00 33.84 31.78 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 1.09 0.95 3.77 2.92 0.00 0.76 -4.77 105.19 109.91 1c89 n GLY 42 Ca 0.11 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.40 3.18 0.01 1.61 0.00 -0.54 -3.77 119.30 117.40 1c89 s MET 43 Ca 0.00 1.53 -0.02 0.00 0.00 0.00 0.00 55.69 57.20 1c89 s MET 43 Cb 0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 34.83 32.80 1c89 s MET 43 CO 0.00 -0.97 0.18 -0.65 0.00 0.00 0.00 175.02 173.58 1c89 s GLN 44 N -3.57 3.41 0.32 3.16 -0.21 -1.25 -2.61 119.66 118.91 1c89 s GLN 44 Ca 0.71 -0.37 0.06 0.00 0.02 0.00 0.00 55.36 55.77 1c89 s GLN 44 Cb -0.22 -3.06 -0.01 0.00 1.00 0.00 0.00 33.01 30.71 1c89 s GLN 44 CO 0.32 0.65 0.44 0.14 -2.12 0.00 0.00 175.29 174.72 1c89 s VAL 45 N -1.38 4.24 -0.88 1.09 -7.23 -1.24 -4.27 120.40 110.74 1c89 s VAL 45 Ca 0.29 -1.02 0.22 0.00 -1.81 0.00 0.00 61.98 59.66 1c89 s VAL 45 Cb -0.13 -3.47 -0.22 0.00 0.56 0.00 0.00 36.38 33.13 1c89 s VAL 45 CO 0.21 -0.19 0.91 0.59 -0.31 0.00 0.00 175.10 176.31 1c89 n ASN 46 N -1.59 0.83 -3.28 4.85 5.03 -1.14 -2.17 115.26 117.80 1c89 n ASN 46 Ca -0.02 -0.79 -0.18 0.00 0.87 0.00 0.00 54.58 54.47 1c89 n ASN 46 Cb 0.58 1.03 -0.06 0.00 -1.02 0.00 0.00 39.78 40.31 1c89 n ASN 46 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1c89 s ARG 47 N -3.07 1.84 0.26 3.52 0.52 -1.26 -4.83 118.95 115.93 1c89 s ARG 47 Ca 0.06 -1.92 -0.30 0.00 -0.52 0.00 0.00 55.73 53.05 1c89 s ARG 47 Cb 0.16 0.38 -0.09 0.00 0.52 0.00 0.00 34.95 35.91 1c89 s ARG 47 CO 0.86 -0.72 1.07 0.00 0.02 0.00 0.00 175.30 176.53 1c89 s ALA 48 N -3.24 3.39 -0.13 2.13 0.00 -1.26 -4.32 121.76 118.32 1c89 s ALA 48 Ca 0.37 0.84 -0.00 0.00 0.00 0.00 0.00 51.96 53.17 1c89 s ALA 48 Cb 0.01 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 1c89 s ALA 48 CO 0.25 -0.10 -0.13 0.08 0.00 0.00 0.00 175.76 175.86 1c89 s VAL 49 N -1.05 3.03 1.20 0.00 1.01 0.35 -4.96 120.40 119.98 1c89 s VAL 49 Ca 0.44 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.56 1c89 s VAL 49 Cb -0.31 -2.27 0.29 0.00 0.00 0.00 0.00 36.38 34.09 1c89 s VAL 49 CO 0.39 0.52 1.15 -2.16 0.00 0.00 0.00 175.10 175.00 1c89 s PRO 50 N 0.41 -1.21 0.09 2.72 0.04 -1.26 -0.82 135.00 134.97 1c89 s PRO 50 Ca -0.10 -0.22 -0.30 0.00 0.04 0.00 0.00 61.00 60.42 1c89 s PRO 50 Cb -0.16 -1.61 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 1c89 s PRO 50 CO 0.05 -3.68 1.04 -0.51 0.04 0.00 0.00 177.00 173.95 1c89 s LEU 51 N -6.85 4.44 -0.25 -3.56 1.43 -1.26 -3.41 118.68 109.21 1c89 s LEU 51 Ca 0.73 1.86 -0.00 0.00 -1.03 0.00 0.00 54.13 55.68 1c89 s LEU 51 Cb -0.07 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1c89 s LEU 51 CO 0.55 -0.23 0.04 0.61 0.23 0.00 0.00 176.35 177.55 1c89 n GLY 52 N 2.57 0.35 3.61 -3.19 0.00 0.40 -4.98 105.19 103.95 1c89 n GLY 52 Ca 0.05 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.34 4.80 0.81 2.61 2.01 -0.96 -4.78 115.64 117.79 1c89 s THR 53 Ca 0.02 1.20 -0.14 0.00 0.31 0.00 0.00 61.69 63.08 1c89 s THR 53 Cb -0.01 -4.14 0.07 0.00 0.01 0.00 0.00 72.50 68.44 1c89 s THR 53 CO 0.02 -0.23 1.09 1.07 -0.69 0.00 0.00 174.62 175.89 1c89 n THR 54 N 5.51 1.90 -2.15 -0.82 5.66 -1.26 -1.70 114.28 121.42 1c89 n THR 54 Ca 0.04 -0.22 -0.39 0.00 -3.05 0.00 0.00 64.05 60.42 1c89 n THR 54 Cb 0.48 -1.12 -0.03 0.00 -1.55 0.00 0.00 70.33 68.11 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 -4.88 3.29 0.06 1.09 1.98 -0.32 -4.80 118.68 115.10 1c89 s LEU 55 Ca 0.72 0.26 -0.16 0.00 -2.89 0.00 0.00 54.13 52.06 1c89 s LEU 55 Cb -0.29 -2.64 -0.06 0.00 0.66 0.00 0.00 46.19 43.85 1c89 s LEU 55 CO 0.52 -2.19 0.49 -0.04 -1.89 0.00 0.00 176.35 173.24 1c89 s MET 56 N 6.61 4.01 -0.02 1.98 -1.94 -1.26 -2.27 119.30 126.40 1c89 s MET 56 Ca 0.61 0.52 -0.24 0.00 -1.71 0.00 0.00 55.69 54.87 1c89 s MET 56 Cb -0.12 -3.16 -0.21 0.00 2.01 0.00 0.00 34.83 33.35 1c89 s MET 56 CO 0.21 0.63 1.15 -1.00 -0.01 0.00 0.00 175.02 176.00 1c89 h PRO 57 N 4.37 0.19 0.00 2.03 0.13 -1.93 -3.06 132.00 133.74 1c89 h PRO 57 Ca -0.50 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1c89 h PRO 57 Cb 1.21 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1c89 h PRO 57 CO 0.63 0.80 0.00 -3.47 -0.23 0.00 0.00 178.00 175.73 1c89 n ASP 58 N -4.58 0.00 0.01 1.44 2.03 -1.26 -2.17 116.55 112.02 1c89 n ASP 58 Ca -0.09 0.49 -0.03 0.00 0.52 0.00 0.00 54.79 55.68 1c89 n ASP 58 Cb 0.42 -0.50 -0.10 0.00 -0.72 0.00 0.00 41.12 40.22 1c89 n ASP 58 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1c89 h MET 59 N 0.00 0.00 -6.23 -0.67 2.86 -1.95 -3.47 114.93 105.47 1c89 h MET 59 Ca 0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 1c89 h MET 59 Cb 0.18 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.75 1c89 h MET 59 CO 0.00 0.38 -0.64 0.08 1.06 0.00 0.00 176.91 177.79 1c89 s VAL 60 N -2.80 3.58 0.00 -2.22 1.01 -0.92 -2.87 120.40 116.17 1c89 s VAL 60 Ca -0.03 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.16 1c89 s VAL 60 Cb 0.08 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1c89 s VAL 60 CO 0.82 -0.33 0.00 0.29 0.00 0.00 0.00 175.10 175.88 1c89 n LYS 61 N -0.79 1.80 -2.14 2.72 4.76 -1.26 -4.74 118.16 118.52 1c89 n LYS 61 Ca -0.07 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.07 1c89 n LYS 61 Cb 0.58 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.72 1c89 n LYS 61 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1c89 s ASN 62 N -1.48 5.29 0.00 4.39 0.02 -1.24 -4.88 114.94 117.05 1c89 s ASN 62 Ca 0.00 -1.60 0.00 0.00 -1.02 0.00 0.00 52.86 50.24 1c89 s ASN 62 Cb 0.00 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.69 1c89 s ASN 62 CO 0.00 -2.77 0.00 0.00 0.02 0.00 0.00 177.10 174.35 1c89 n TYR 63 N 13.49 0.00 -2.08 2.20 0.18 -1.26 -4.87 117.16 124.82 1c89 n TYR 63 Ca 0.44 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.22 1c89 n TYR 63 Cb 0.47 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.43 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 3.96 0.00 -3.48 -0.58 -1.26 -4.92 120.64 114.36 1c89 n GLU 64 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1c89 n GLU 64 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 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 0.00 0.00 1.62 9.92 -1.26 -4.87 116.55 121.96 1c89 n ASP 65 Ca 0.00 0.75 0.00 0.00 -0.53 0.00 0.00 54.79 55.01 1c89 n ASP 65 Cb 0.00 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 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 -0.00 2.10 3.97 0.44 0.00 -1.26 -4.81 105.19 105.63 1c89 n GLY 66 Ca 0.00 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.17 3.32 0.00 2.61 -4.23 -1.26 -5.10 115.64 110.81 1c89 s THR 67 Ca 0.00 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 1c89 s THR 67 Cb 0.00 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.63 1c89 s THR 67 CO 0.00 -0.14 0.00 1.07 -0.54 0.00 0.00 174.62 175.01 1c89 n THR 68 N -2.14 0.00 -1.99 3.99 5.66 -1.26 -4.80 114.28 113.74 1c89 n THR 68 Ca 0.05 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.64 1c89 n THR 68 Cb 0.59 -0.18 -0.01 0.00 -1.55 0.00 0.00 70.33 69.18 1c89 n THR 68 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1c89 s SER 69 N -1.64 6.48 0.00 1.09 0.01 -1.26 -4.99 113.70 113.39 1c89 s SER 69 Ca 0.00 2.80 0.00 0.00 1.31 0.00 0.00 55.95 60.06 1c89 s SER 69 Cb 0.00 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1c89 s SER 69 CO 0.00 -0.75 0.03 -0.81 0.41 0.00 0.00 173.24 172.12 1c89 n PRO 70 N 0.47 0.00 0.00 12.44 -0.04 -1.26 -4.89 135.00 141.72 1c89 n PRO 70 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1c89 n PRO 70 Cb 0.41 -0.25 0.00 0.00 -0.04 0.00 0.00 33.50 33.62 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 1.95 2.31 2.35 0.55 0.00 -1.26 -4.49 105.19 106.59 1c89 n GLY 71 Ca 0.00 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 6.58 -4.72 0.99 4.77 -1.26 -4.94 117.00 118.43 1c89 n LEU 72 Ca 0.00 -3.99 -0.41 0.00 -0.03 0.00 0.00 56.01 51.58 1c89 n LEU 72 Cb 0.00 -1.33 -0.04 0.00 -2.33 0.00 0.00 43.42 39.72 1c89 n LEU 72 CO 0.00 1.80 0.59 -1.59 -1.33 0.00 0.00 177.39 176.86 1c89 s LYS 73 N -0.61 4.54 0.15 3.23 -2.85 -1.26 -4.57 119.74 118.37 1c89 s LYS 73 Ca 0.61 1.25 0.03 0.00 -1.00 0.00 0.00 55.97 56.87 1c89 s LYS 73 Cb 0.32 -3.44 -0.04 0.00 -2.06 0.00 0.00 37.83 32.61 1c89 s LYS 73 CO -0.13 0.04 0.20 -1.12 0.10 0.00 0.00 175.35 174.43 1c89 s SER 74 N 0.76 5.92 0.22 0.03 0.01 0.65 -4.39 113.70 116.90 1c89 s SER 74 Ca 0.46 0.03 -0.31 0.00 1.31 0.00 0.00 55.95 57.45 1c89 s SER 74 Cb -0.20 -1.68 -0.10 0.00 0.21 0.00 0.00 66.02 64.25 1c89 s SER 74 CO 0.25 0.08 1.51 -0.69 0.41 0.00 0.00 173.24 174.80 1c89 s VAL 75 N -1.71 2.57 -0.03 3.43 1.01 -0.68 -1.80 120.40 123.20 1c89 s VAL 75 Ca 0.33 0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.77 1c89 s VAL 75 Cb -0.11 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 33.00 1c89 s VAL 75 CO 0.26 0.06 -0.05 -0.69 0.00 0.00 0.00 175.10 174.68 1c89 s VAL 76 N 0.44 0.48 -1.13 2.92 1.01 -0.31 -0.84 120.40 122.97 1c89 s VAL 76 Ca 0.64 -0.16 -0.21 0.00 0.00 0.00 0.00 61.98 62.24 1c89 s VAL 76 Cb -0.43 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.50 1c89 s VAL 76 CO 0.39 0.18 1.70 0.00 0.00 0.00 0.00 175.10 177.37 1c89 s ALA 77 N 0.46 2.64 0.54 5.51 0.00 0.18 -1.03 121.76 130.06 1c89 s ALA 77 Ca -0.06 -2.37 0.23 0.00 0.00 0.00 0.00 51.96 49.77 1c89 s ALA 77 Cb -0.09 -4.60 1.41 0.00 0.00 0.00 0.00 23.12 19.84 1c89 s ALA 77 CO -0.00 -3.92 2.07 -0.97 0.00 0.00 0.00 175.76 172.94 1c89 h ASN 78 N 9.22 0.00 -5.37 0.00 -1.24 -1.78 0.21 115.58 116.62 1c89 h ASN 78 Ca 0.28 0.00 -0.47 0.00 0.71 0.00 0.00 56.30 56.82 1c89 h ASN 78 Cb 0.95 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.96 1c89 h ASN 78 CO 1.38 0.00 -0.22 0.00 -1.29 0.00 0.00 177.43 177.29 1c89 n GLN 79 N -4.30 0.84 -3.54 6.67 6.02 -1.26 -2.60 117.38 119.20 1c89 n GLN 79 Ca 0.04 -2.78 -0.37 0.00 -0.01 0.00 0.00 57.00 53.88 1c89 n GLN 79 Cb 0.37 0.31 -0.08 0.00 1.02 0.00 0.00 30.24 31.85 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 4.15 -0.17 1.08 0.20 -1.26 -3.79 118.68 118.90 1c89 s LEU 80 Ca 0.25 0.32 0.00 0.00 0.69 0.00 0.00 54.13 55.39 1c89 s LEU 80 Cb -0.02 -2.30 0.00 0.00 -0.43 0.00 0.00 46.19 43.44 1c89 s LEU 80 CO 0.16 0.02 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.45 1c89 s ILE 81 N 1.05 2.57 0.59 6.68 1.01 -0.67 -4.95 121.20 127.48 1c89 s ILE 81 Ca 0.13 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 59.82 1c89 s ILE 81 Cb -0.14 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1c89 s ILE 81 CO 0.05 0.51 1.08 -2.16 0.00 0.00 0.00 174.94 174.43 1c89 s PRO 82 N 0.98 3.24 0.51 2.79 0.04 -1.26 0.04 135.00 141.34 1c89 s PRO 82 Ca -0.02 1.35 -0.19 0.00 0.04 0.00 0.00 61.00 62.18 1c89 s PRO 82 Cb -0.15 -2.01 -0.12 0.00 0.04 0.00 0.00 34.50 32.26 1c89 s PRO 82 CO -0.03 -0.89 0.29 -0.89 0.04 0.00 0.00 177.00 175.52 1c89 n ILE 83 N -1.87 1.33 -3.26 0.56 5.41 -1.26 -3.38 119.36 116.90 1c89 n ILE 83 Ca 0.10 -0.50 -0.12 0.00 1.00 0.00 0.00 62.75 63.23 1c89 n ILE 83 Cb 0.52 -0.39 0.01 0.00 -0.71 0.00 0.00 39.64 39.07 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 1.41 -6.84 -3.49 4.38 3.02 0.68 -4.97 115.26 109.43 1c89 n ASN 84 Ca 0.10 -0.20 -0.22 0.00 -0.03 0.00 0.00 54.58 54.24 1c89 n ASN 84 Cb 0.45 -4.02 -0.13 0.00 -0.61 0.00 0.00 39.78 35.47 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1c89 s THR 85 N -2.77 -0.25 -0.80 3.41 2.01 -1.22 -4.85 115.64 111.17 1c89 s THR 85 Ca 0.09 -0.41 -0.23 0.00 0.31 0.00 0.00 61.69 61.44 1c89 s THR 85 Cb -0.02 -0.84 -0.18 0.00 0.01 0.00 0.00 72.50 71.47 1c89 s THR 85 CO 0.80 -0.44 2.42 0.00 -0.69 0.00 0.00 174.62 176.72 1c89 n ALA 86 N 5.29 0.63 -2.07 7.40 0.00 -1.25 -4.11 120.51 126.39 1c89 n ALA 86 Ca -0.05 -0.88 -0.37 0.00 0.00 0.00 0.00 53.44 52.14 1c89 n ALA 86 Cb 0.46 -2.83 -0.06 0.00 0.00 0.00 0.00 19.45 17.02 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 9.48 4.37 0.41 0.00 2.34 -0.60 -4.70 118.68 129.98 1c89 s LEU 87 Ca 1.13 1.46 0.04 0.00 0.06 0.00 0.00 54.13 56.82 1c89 s LEU 87 Cb -0.57 -3.57 -0.04 0.00 -0.56 0.00 0.00 46.19 41.46 1c89 s LEU 87 CO 0.34 0.05 0.06 0.42 -1.06 0.00 0.00 176.35 176.16 1c89 s THR 88 N -1.48 1.10 0.50 5.48 -4.23 -1.26 0.24 115.64 115.99 1c89 s THR 88 Ca 0.42 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.26 1c89 s THR 88 Cb -0.17 -2.52 0.52 0.00 1.34 0.00 0.00 72.50 71.66 1c89 s THR 88 CO 0.22 0.00 1.78 0.17 -0.54 0.00 0.00 174.62 176.24 1c89 h LEU 89 N 1.77 0.13 -0.70 4.79 -0.00 -1.94 0.36 115.31 119.71 1c89 h LEU 89 Ca -0.40 0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.49 1c89 h LEU 89 Cb 1.27 0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 41.91 1c89 h LEU 89 CO 0.68 0.01 0.37 -0.37 -0.00 0.00 0.00 178.44 179.13 1c89 h VAL 90 N 0.10 1.22 0.00 0.15 -1.51 -2.01 -2.85 116.25 111.35 1c89 h VAL 90 Ca 0.60 -0.59 -0.19 0.00 -1.23 0.00 0.00 66.70 65.30 1c89 h VAL 90 Cb 2.15 0.32 -0.03 0.00 -2.13 0.00 0.00 31.29 31.61 1c89 h VAL 90 CO -0.10 0.25 -1.11 0.24 -1.23 0.00 0.00 177.57 175.62 1c89 h MET 91 N 0.97 0.00 -5.45 5.19 2.86 -0.78 -3.44 114.93 114.27 1c89 h MET 91 Ca 0.24 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.28 1c89 h MET 91 Cb 0.07 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.62 1c89 h MET 91 CO -0.04 0.57 -0.16 -1.64 1.06 0.00 0.00 176.91 176.71 1c89 s MET 92 N -2.81 4.18 -0.31 1.72 1.00 0.15 -3.76 119.30 119.46 1c89 s MET 92 Ca -0.00 0.26 0.00 0.00 0.00 0.00 0.00 55.69 55.95 1c89 s MET 92 Cb 0.09 -3.54 0.07 0.00 0.00 0.00 0.00 34.83 31.44 1c89 s MET 92 CO 0.80 -0.06 0.00 0.15 0.00 0.00 0.00 175.02 175.91 1c89 s LYS 93 N 1.38 2.19 -0.71 2.03 1.02 -0.19 -4.67 119.74 120.79 1c89 s LYS 93 Ca 0.20 -1.44 -0.27 0.00 0.02 0.00 0.00 55.97 54.48 1c89 s LYS 93 Cb -0.15 -3.16 0.02 0.00 -0.52 0.00 0.00 37.83 34.03 1c89 s LYS 93 CO 0.08 -0.71 1.34 0.00 -0.92 0.00 0.00 175.35 175.15 1c89 s ALA 94 N 1.15 2.71 0.39 5.17 0.00 -1.26 -1.16 121.76 128.76 1c89 s ALA 94 Ca -0.02 -1.23 0.08 0.00 0.00 0.00 0.00 51.96 50.78 1c89 s ALA 94 Cb -0.20 -4.24 -0.06 0.00 0.00 0.00 0.00 23.12 18.61 1c89 s ALA 94 CO -0.03 -3.30 0.07 -1.21 0.00 0.00 0.00 175.76 171.29 1c89 s GLU 95 N 5.82 2.09 -1.12 0.00 0.41 -0.74 -4.66 118.70 120.49 1c89 s GLU 95 Ca 0.40 -1.90 -0.17 0.00 -0.41 0.00 0.00 54.97 52.89 1c89 s GLU 95 Cb -0.09 -1.86 0.13 0.00 -1.78 0.00 0.00 34.13 30.54 1c89 s GLU 95 CO 0.17 -0.01 1.40 -2.00 -0.49 0.00 0.00 175.26 174.32 1c89 s GLU 96 N -3.78 3.88 0.15 1.61 -6.30 -1.26 -0.26 118.70 112.74 1c89 s GLU 96 Ca 0.37 -2.10 -0.03 0.00 -2.50 0.00 0.00 54.97 50.71 1c89 s GLU 96 Cb 0.04 -5.13 -0.03 0.00 0.00 0.00 0.00 34.13 29.01 1c89 s GLU 96 CO 0.20 -1.90 0.13 0.54 0.02 0.00 0.00 175.26 174.25 1c89 s VAL 97 N 2.69 0.08 0.26 3.70 0.11 -1.26 -4.73 120.40 121.24 1c89 s VAL 97 Ca 0.42 -1.80 0.08 0.00 -2.93 0.00 0.00 61.98 57.75 1c89 s VAL 97 Cb -0.02 -2.07 -0.04 0.00 -1.53 0.00 0.00 36.38 32.72 1c89 s VAL 97 CO -0.02 -0.35 0.10 -0.94 -3.33 0.00 0.00 175.10 170.56 1c89 s SER 98 N -3.05 5.07 0.97 3.54 1.04 -1.26 -4.27 113.70 115.74 1c89 s SER 98 Ca 0.25 -0.43 -0.15 0.00 0.48 0.00 0.00 55.95 56.10 1c89 s SER 98 Cb 0.06 -1.15 0.18 0.00 0.10 0.00 0.00 66.02 65.21 1c89 s SER 98 CO 0.03 -0.02 1.19 -2.16 0.98 0.00 0.00 173.24 173.26 1c89 s PRO 99 N -3.75 0.62 -0.78 4.02 0.04 -1.26 -4.69 135.00 129.19 1c89 s PRO 99 Ca 0.32 -0.00 -0.23 0.00 0.04 0.00 0.00 61.00 61.13 1c89 s PRO 99 Cb -0.07 -1.81 0.07 0.00 0.04 0.00 0.00 34.50 32.74 1c89 s PRO 99 CO 0.23 -2.49 1.12 0.15 0.04 0.00 0.00 177.00 176.05 1c89 s LYS 100 N -5.52 3.29 0.00 4.56 -0.14 -1.26 -4.95 119.74 115.73 1c89 s LYS 100 Ca 0.68 -0.96 0.00 0.00 -1.36 0.00 0.00 55.97 54.33 1c89 s LYS 100 Cb -0.10 -4.52 0.00 0.00 -1.68 0.00 0.00 37.83 31.53 1c89 s LYS 100 CO 0.53 -1.92 0.00 0.41 -0.76 0.00 0.00 175.35 173.61 1c89 n GLY 101 N 5.59 0.74 3.51 -3.33 0.00 -1.26 -4.96 105.19 105.48 1c89 n GLY 101 Ca 0.08 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 3.86 0.54 -0.61 1.01 -0.05 -4.92 121.20 121.02 1c89 s ILE 102 Ca 0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 60.65 60.09 1c89 s ILE 102 Cb 0.00 -2.67 -0.06 0.00 0.01 0.00 0.00 42.46 39.74 1c89 s ILE 102 CO 0.00 0.51 1.07 -2.16 0.00 0.00 0.00 174.94 174.36 1c89 s PRO 103 N 0.20 3.49 -0.63 2.79 0.04 -1.26 -1.69 135.00 137.94 1c89 s PRO 103 Ca -0.02 1.36 -0.07 0.00 0.04 0.00 0.00 61.00 62.30 1c89 s PRO 103 Cb -0.14 -2.05 -0.18 0.00 0.04 0.00 0.00 34.50 32.17 1c89 s PRO 103 CO 0.03 -0.69 3.21 0.45 0.04 0.00 0.00 177.00 180.04 1c89 n SER 104 N -1.48 6.33 -0.05 6.66 2.88 -1.26 -4.33 113.62 122.36 1c89 n SER 104 Ca 0.10 -2.47 -0.21 0.00 -1.33 0.00 0.00 58.87 54.96 1c89 n SER 104 Cb 0.52 -1.41 -0.13 0.00 -0.75 0.00 0.00 64.21 62.45 1c89 n SER 104 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1c89 h GLU 105 N 3.99 0.11 -0.28 -1.46 4.81 -1.97 -3.38 114.58 116.41 1c89 h GLU 105 Ca 0.45 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1c89 h GLU 105 Cb 0.95 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1c89 h GLU 105 CO 0.86 1.09 0.00 0.39 -0.73 0.00 0.00 179.01 180.62 1c89 n GLU 106 N -4.18 2.15 -0.19 1.92 -0.58 -1.26 -4.53 120.64 113.97 1c89 n GLU 106 Ca -0.27 -2.00 -0.01 0.00 -0.42 0.00 0.00 57.16 54.46 1c89 n GLU 106 Cb 0.77 -1.41 0.09 0.00 -0.57 0.00 0.00 31.44 30.32 1c89 n GLU 106 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1c89 h ILE 107 N 3.63 0.78 -1.37 -3.67 1.08 -1.83 0.31 117.51 116.44 1c89 h ILE 107 Ca 0.00 -0.13 0.40 0.00 -0.39 0.00 0.00 64.86 64.74 1c89 h ILE 107 Cb 0.84 0.36 -0.05 0.00 -3.07 0.00 0.00 36.82 34.90 1c89 h ILE 107 CO 0.00 0.07 1.09 -1.28 -0.69 0.00 0.00 178.15 177.34 1c89 h SER 108 N 0.38 0.00 0.29 1.72 0.87 -1.85 1.02 113.55 115.98 1c89 h SER 108 Ca 0.29 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.52 1c89 h SER 108 Cb 0.34 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.25 1c89 h SER 108 CO -0.29 0.00 -1.99 0.29 -0.53 0.00 0.00 176.83 174.31 1c89 n LYS 109 N -3.88 0.66 -0.51 2.24 4.01 0.04 -4.12 118.16 116.60 1c89 n LYS 109 Ca 0.30 0.18 0.10 0.00 -0.51 0.00 0.00 58.31 58.38 1c89 n LYS 109 Cb 1.52 -1.68 0.34 0.00 -0.51 0.00 0.00 35.03 34.69 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 -2.94 4.30 -4.72 -0.35 4.77 0.21 -4.97 117.00 113.30 1c89 n LEU 110 Ca -0.24 -2.16 -0.42 0.00 -0.03 0.00 0.00 56.01 53.15 1c89 n LEU 110 Cb 1.09 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1c89 n LEU 110 CO 0.44 0.85 1.31 0.52 -1.33 0.00 0.00 177.39 179.18 1c89 n VAL 111 N 1.29 0.38 -1.16 4.08 0.31 0.29 -1.37 118.33 122.15 1c89 n VAL 111 Ca 0.25 -0.09 -0.03 0.00 -0.01 0.00 0.00 64.34 64.45 1c89 n VAL 111 Cb 0.76 -1.93 -0.01 0.00 -0.91 0.00 0.00 33.84 31.75 1c89 n VAL 111 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c89 n GLY 112 N 3.26 0.56 3.79 2.92 0.00 0.67 -4.90 105.19 111.49 1c89 n GLY 112 Ca 0.13 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.38 3.83 -0.19 1.61 0.00 -0.47 -4.24 119.30 117.45 1c89 s MET 113 Ca 0.00 1.47 -0.20 0.00 0.00 0.00 0.00 55.69 56.96 1c89 s MET 113 Cb 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 34.83 32.58 1c89 s MET 113 CO 0.00 -0.43 0.57 -0.65 0.00 0.00 0.00 175.02 174.52 1c89 s GLN 114 N -3.01 4.21 0.33 3.16 -0.21 -1.26 -1.56 119.66 121.32 1c89 s GLN 114 Ca 0.65 0.52 -0.12 0.00 0.02 0.00 0.00 55.36 56.43 1c89 s GLN 114 Cb -0.20 -3.56 -0.07 0.00 1.00 0.00 0.00 33.01 30.17 1c89 s GLN 114 CO 0.24 -0.17 0.69 0.54 -2.12 0.00 0.00 175.29 174.47 1c89 s VAL 115 N 1.70 4.79 -2.85 1.09 0.11 -1.26 -4.84 120.40 119.15 1c89 s VAL 115 Ca 0.26 0.68 0.23 0.00 -2.93 0.00 0.00 61.98 60.23 1c89 s VAL 115 Cb -0.16 -3.66 0.23 0.00 -1.53 0.00 0.00 36.38 31.26 1c89 s VAL 115 CO 0.10 -0.28 1.27 -3.20 -3.33 0.00 0.00 175.10 169.66 1c89 n ASN 116 N -0.66 3.05 -4.51 3.54 4.05 -1.26 -0.23 115.26 119.23 1c89 n ASN 116 Ca 0.02 -1.98 -0.24 0.00 0.45 0.00 0.00 54.58 52.83 1c89 n ASN 116 Cb 0.53 -0.04 -0.10 0.00 1.23 0.00 0.00 39.78 41.39 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1c89 s ARG 117 N -1.87 1.73 0.35 1.20 1.81 -1.26 -4.66 118.95 116.25 1c89 s ARG 117 Ca 0.29 -1.89 -0.22 0.00 -1.72 0.00 0.00 55.73 52.19 1c89 s ARG 117 Cb 0.20 -1.51 -0.10 0.00 -0.45 0.00 0.00 34.95 33.09 1c89 s ARG 117 CO 0.30 0.10 0.90 0.00 -0.68 0.00 0.00 175.30 175.91 1c89 s ALA 118 N -2.75 3.19 -0.04 2.13 0.00 -1.26 -4.00 121.76 119.03 1c89 s ALA 118 Ca 0.32 0.39 0.06 0.00 0.00 0.00 0.00 51.96 52.72 1c89 s ALA 118 Cb 0.03 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 1c89 s ALA 118 CO 0.15 0.20 -0.21 0.08 0.00 0.00 0.00 175.76 175.97 1c89 s VAL 119 N -1.83 1.72 0.00 0.00 1.01 0.11 -4.89 120.40 116.52 1c89 s VAL 119 Ca 0.54 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1c89 s VAL 119 Cb -0.14 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.78 1c89 s VAL 119 CO 0.19 0.49 0.00 -1.22 0.00 0.00 0.00 175.10 174.56 1c89 n TYR 120 N 2.93 -2.68 0.00 5.22 4.01 -1.26 -1.67 117.16 123.71 1c89 n TYR 120 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1c89 n TYR 120 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1c89 n TYR 120 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1c89 n LEU 121 N 0.00 0.00 -4.35 7.72 7.99 -1.25 -3.97 117.00 123.14 1c89 n LEU 121 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.87 1c89 n LEU 121 Cb 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.19 1c89 n LEU 121 CO 0.00 0.00 1.53 0.47 -1.51 0.00 0.00 177.39 177.88 1c89 n ASP 122 N 0.00 -1.00 -4.40 -1.43 9.92 -0.02 -4.46 116.55 115.16 1c89 n ASP 122 Ca 0.00 -1.12 -0.30 0.00 -0.53 0.00 0.00 54.79 52.84 1c89 n ASP 122 Cb 0.00 -0.80 -0.13 0.00 -0.64 0.00 0.00 41.12 39.55 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 6.72 1.78 0.31 -1.24 0.74 -0.70 -3.70 119.66 123.57 1c89 s GLN 123 Ca 0.79 -1.14 -0.29 0.00 0.05 0.00 0.00 55.36 54.78 1c89 s GLN 123 Cb -0.41 -2.03 -0.10 0.00 1.10 0.00 0.00 33.01 31.57 1c89 s GLN 123 CO 0.29 0.50 1.15 -0.08 -0.55 0.00 0.00 175.29 176.60 1c89 s THR 124 N -0.93 3.28 -0.07 -0.34 -1.32 -1.26 0.50 115.64 115.50 1c89 s THR 124 Ca 0.14 1.26 -0.29 0.00 -1.21 0.00 0.00 61.69 61.59 1c89 s THR 124 Cb -0.10 -3.79 -0.02 0.00 -1.51 0.00 0.00 72.50 67.08 1c89 s THR 124 CO 0.05 0.28 0.96 -0.22 -2.21 0.00 0.00 174.62 173.47 1c89 s LEU 125 N -1.65 4.29 0.10 9.08 2.96 -0.02 -4.83 118.68 128.60 1c89 s LEU 125 Ca 0.47 1.51 0.07 0.00 -0.22 0.00 0.00 54.13 55.96 1c89 s LEU 125 Cb -0.33 -3.49 -0.03 0.00 0.50 0.00 0.00 46.19 42.83 1c89 s LEU 125 CO 0.43 -0.35 -0.19 -0.04 -1.32 0.00 0.00 176.35 174.88 1c89 s MET 126 N 1.59 1.06 0.49 1.98 -1.94 -1.26 -0.87 119.30 120.35 1c89 s MET 126 Ca 0.48 -1.14 0.30 0.00 -1.71 0.00 0.00 55.69 53.61 1c89 s MET 126 Cb -0.19 -1.22 1.03 0.00 2.01 0.00 0.00 34.83 36.46 1c89 s MET 126 CO 0.21 0.28 1.85 -1.00 -0.01 0.00 0.00 175.02 176.35 1c89 h PRO 127 N 4.01 0.00 0.00 2.03 0.13 -1.96 -2.79 132.00 133.42 1c89 h PRO 127 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.41 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.93 1c89 n ASP 128 N -3.02 0.00 0.04 1.44 8.00 -1.26 -3.08 116.55 118.68 1c89 n ASP 128 Ca 0.02 -0.95 0.09 0.00 0.71 0.00 0.00 54.79 54.66 1c89 n ASP 128 Cb 0.37 -0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.38 1c89 n ASP 128 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1c89 n MET 129 N -1.00 0.63 -2.70 -1.24 1.56 -1.05 -4.94 117.12 108.38 1c89 n MET 129 Ca 0.23 0.01 -0.22 0.00 -0.27 0.00 0.00 57.70 57.44 1c89 n MET 129 Cb 0.11 -1.69 0.03 0.00 2.15 0.00 0.00 33.22 33.82 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 -3.32 3.02 0.00 1.12 1.01 -1.18 -4.23 120.40 116.83 1c89 s VAL 130 Ca -0.04 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1c89 s VAL 130 Cb 0.11 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1c89 s VAL 130 CO 0.84 -0.10 0.09 0.29 0.00 0.00 0.00 175.10 176.22 1c89 n LYS 131 N -2.30 0.00 -3.65 2.72 5.02 -1.26 -4.67 118.16 114.01 1c89 n LYS 131 Ca 0.06 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.99 1c89 n LYS 131 Cb 0.59 -0.50 -0.07 0.00 -0.02 0.00 0.00 35.03 35.03 1c89 n LYS 131 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1c89 s ASN 132 N -1.22 5.84 0.77 4.39 2.47 -1.26 -5.07 114.94 120.86 1c89 s ASN 132 Ca 0.00 -3.53 -0.11 0.00 0.42 0.00 0.00 52.86 49.64 1c89 s ASN 132 Cb 0.00 -1.90 0.06 0.00 -1.45 0.00 0.00 41.25 37.96 1c89 s ASN 132 CO 0.00 -0.23 1.10 -0.47 -3.72 0.00 0.00 177.10 173.79 1c89 s TYR 133 N -1.07 2.44 -1.31 0.43 5.04 -1.26 -5.25 117.35 116.37 1c89 s TYR 133 Ca 0.25 1.59 0.10 0.00 -2.44 0.00 0.00 57.07 56.57 1c89 s TYR 133 Cb -0.10 -3.12 0.08 0.00 0.35 0.00 0.00 41.96 39.18 1c89 s TYR 133 CO -0.11 -1.94 0.83 -0.85 -1.34 0.00 0.00 175.55 172.15