#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c89 s LYS 2 N 0.00 2.83 0.37 1.20 0.00 -1.26 -5.03 119.74 117.85 1c89 s LYS 2 Ca 0.00 -0.70 -0.25 0.00 0.00 0.00 0.00 55.97 55.02 1c89 s LYS 2 Cb 0.00 -2.56 -0.10 0.00 0.00 0.00 0.00 37.83 35.17 1c89 s LYS 2 CO 0.00 -0.43 0.99 0.00 0.00 0.00 0.00 175.35 175.91 1c89 s ALA 3 N -2.60 3.14 0.51 0.59 0.00 -1.26 -4.69 121.76 117.46 1c89 s ALA 3 Ca 0.52 0.59 0.07 0.00 0.00 0.00 0.00 51.96 53.15 1c89 s ALA 3 Cb -0.10 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 19.87 1c89 s ALA 3 CO 0.37 -0.00 0.57 0.43 0.00 0.00 0.00 175.76 177.13 1c89 n SER 4 N 0.18 2.20 -4.53 0.00 7.64 0.46 -4.67 113.62 114.89 1c89 n SER 4 Ca 0.04 -2.53 -0.41 0.00 1.01 0.00 0.00 58.87 56.97 1c89 n SER 4 Cb 0.50 -0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 63.43 1c89 n SER 4 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1c89 s VAL 5 N -2.35 3.86 -0.27 0.44 1.01 -0.98 -1.98 120.40 120.14 1c89 s VAL 5 Ca 0.44 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.75 1c89 s VAL 5 Cb -0.03 -4.86 0.06 0.00 0.00 0.00 0.00 36.38 31.55 1c89 s VAL 5 CO 0.28 -1.74 -0.10 -0.69 0.00 0.00 0.00 175.10 172.85 1c89 s VAL 6 N 5.36 2.23 -0.05 2.92 1.01 0.64 -1.67 120.40 130.84 1c89 s VAL 6 Ca 0.33 -1.65 -0.35 0.00 0.00 0.00 0.00 61.98 60.31 1c89 s VAL 6 Cb -0.10 -2.32 -0.13 0.00 0.00 0.00 0.00 36.38 33.83 1c89 s VAL 6 CO 0.15 -0.06 1.78 0.00 0.00 0.00 0.00 175.10 176.97 1c89 n ALA 7 N 4.44 0.76 0.08 5.51 0.00 0.16 -3.14 120.51 128.31 1c89 n ALA 7 Ca -0.13 0.34 -0.17 0.00 0.00 0.00 0.00 53.44 53.47 1c89 n ALA 7 Cb 0.42 -2.41 -0.14 0.00 0.00 0.00 0.00 19.45 17.31 1c89 n ALA 7 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1c89 h ASN 8 N 8.05 0.44 -2.28 0.00 -0.00 -1.86 1.05 115.58 120.99 1c89 h ASN 8 Ca -0.47 -0.56 -0.46 0.00 -0.00 0.00 0.00 56.30 54.80 1c89 h ASN 8 Cb 1.28 -0.14 0.08 0.00 -0.00 0.00 0.00 38.32 39.53 1c89 h ASN 8 CO 0.93 1.46 0.09 0.00 -0.00 0.00 0.00 177.43 179.91 1c89 s GLN 9 N -2.62 1.83 -0.06 6.67 -2.07 -1.26 -0.95 119.66 121.20 1c89 s GLN 9 Ca -0.08 -1.02 -0.20 0.00 -1.82 0.00 0.00 55.36 52.24 1c89 s GLN 9 Cb 0.07 -2.35 -0.05 0.00 -1.09 0.00 0.00 33.01 29.59 1c89 s GLN 9 CO 0.87 -1.32 0.56 -1.17 -1.32 0.00 0.00 175.29 172.91 1c89 s LEU 10 N -5.09 4.35 -0.11 2.60 0.20 -1.26 -4.05 118.68 115.32 1c89 s LEU 10 Ca 0.65 1.03 -0.00 0.00 0.69 0.00 0.00 54.13 56.50 1c89 s LEU 10 Cb -0.06 -2.85 -0.02 0.00 -0.43 0.00 0.00 46.19 42.82 1c89 s LEU 10 CO 0.43 0.04 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.80 1c89 s ILE 11 N 0.23 3.31 0.00 6.68 1.01 0.92 -4.92 121.20 128.44 1c89 s ILE 11 Ca 0.30 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1c89 s ILE 11 Cb -0.17 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 39.92 1c89 s ILE 11 CO 0.15 0.54 0.00 -0.81 0.00 0.00 0.00 174.94 174.82 1c89 n PRO 12 N 3.12 0.60 -2.61 2.79 -0.04 -1.26 0.25 135.00 137.86 1c89 n PRO 12 Ca -0.18 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.02 1c89 n PRO 12 Cb 0.53 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.00 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 -0.25 4.09 -0.70 0.52 1.09 -1.26 -4.35 121.20 120.35 1c89 s ILE 13 Ca 0.00 -0.06 -0.02 0.00 -1.10 0.00 0.00 60.65 59.47 1c89 s ILE 13 Cb 0.00 -3.58 0.00 0.00 -1.06 0.00 0.00 42.46 37.83 1c89 s ILE 13 CO 0.00 -0.54 0.49 -0.46 -0.10 0.00 0.00 174.94 174.33 1c89 n ASN 14 N -2.37 -3.86 -3.79 3.58 0.23 -0.53 -4.83 115.26 103.68 1c89 n ASN 14 Ca 0.03 -0.82 -0.16 0.00 -0.53 0.00 0.00 54.58 53.09 1c89 n ASN 14 Cb 0.57 -1.30 -0.16 0.00 -2.08 0.00 0.00 39.78 36.81 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 -2.87 0.07 -0.39 5.53 2.01 -1.26 -4.82 115.64 113.91 1c89 s THR 15 Ca 0.03 0.15 -0.29 0.00 0.31 0.00 0.00 61.69 61.89 1c89 s THR 15 Cb -0.01 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.31 1c89 s THR 15 CO 0.74 0.13 1.27 0.00 -0.69 0.00 0.00 174.62 176.07 1c89 s ALA 16 N 1.11 3.20 0.62 7.40 0.00 -1.25 -3.49 121.76 129.35 1c89 s ALA 16 Ca -0.09 -0.17 -0.19 0.00 0.00 0.00 0.00 51.96 51.52 1c89 s ALA 16 Cb -0.13 -3.86 -0.02 0.00 0.00 0.00 0.00 23.12 19.11 1c89 s ALA 16 CO -0.02 -2.11 1.30 -0.51 0.00 0.00 0.00 175.76 174.42 1c89 s LEU 17 N 4.71 3.64 0.00 0.00 1.43 -1.08 -4.51 118.68 122.87 1c89 s LEU 17 Ca 0.55 2.62 0.00 0.00 -1.03 0.00 0.00 54.13 56.27 1c89 s LEU 17 Cb -0.12 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 41.54 1c89 s LEU 17 CO 0.28 -1.88 0.00 0.35 0.23 0.00 0.00 176.35 175.33 1c89 n THR 18 N -1.71 0.00 -0.03 5.49 -2.24 -1.26 0.16 114.28 114.69 1c89 n THR 18 Ca 0.15 -0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 1c89 n THR 18 Cb 0.48 0.04 0.02 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.75 -1.22 3.22 -0.00 -1.95 -2.48 115.31 113.62 1c89 h LEU 19 Ca -0.03 -0.40 -0.04 0.00 -0.00 0.00 0.00 57.88 57.40 1c89 h LEU 19 Cb 0.10 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.52 1c89 h LEU 19 CO 0.05 1.15 0.05 0.40 -0.00 0.00 0.00 178.44 180.09 1c89 h ILE 20 N 0.52 1.19 -0.01 1.22 2.04 -2.02 -1.44 117.51 119.02 1c89 h ILE 20 Ca 0.01 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1c89 h ILE 20 Cb 1.12 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1c89 h ILE 20 CO 0.11 0.26 -0.07 0.23 0.00 0.00 0.00 178.15 178.68 1c89 n MET 21 N -4.30 1.10 -3.26 2.37 2.81 -1.16 -4.67 117.12 110.01 1c89 n MET 21 Ca 0.02 -0.47 -0.45 0.00 -1.81 0.00 0.00 57.70 54.98 1c89 n MET 21 Cb 0.22 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.19 1c89 n MET 21 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1c89 s MET 22 N -2.23 3.01 -0.18 0.03 0.00 -0.54 -3.69 119.30 115.70 1c89 s MET 22 Ca 0.35 -1.54 -0.05 0.00 0.00 0.00 0.00 55.69 54.45 1c89 s MET 22 Cb 0.21 -4.26 -0.03 0.00 0.00 0.00 0.00 34.83 30.74 1c89 s MET 22 CO 0.41 -1.34 0.01 0.15 0.00 0.00 0.00 175.02 174.25 1c89 s LYS 23 N 1.91 3.72 -1.21 4.11 1.02 -1.19 -4.94 119.74 123.16 1c89 s LYS 23 Ca 0.06 -0.48 -0.16 0.00 0.02 0.00 0.00 55.97 55.41 1c89 s LYS 23 Cb -0.27 -3.07 0.13 0.00 -0.52 0.00 0.00 37.83 34.10 1c89 s LYS 23 CO 0.05 0.13 1.51 0.00 -0.92 0.00 0.00 175.35 176.12 1c89 s ALA 24 N 0.70 3.71 0.05 5.17 0.00 -1.25 -0.26 121.76 129.87 1c89 s ALA 24 Ca 0.00 -3.15 0.01 0.00 0.00 0.00 0.00 51.96 48.82 1c89 s ALA 24 Cb -0.14 -4.30 -0.04 0.00 0.00 0.00 0.00 23.12 18.64 1c89 s ALA 24 CO 0.02 -2.98 0.13 -2.00 0.00 0.00 0.00 175.76 170.93 1c89 s GLU 25 N 2.59 3.14 -0.79 0.00 2.12 -0.84 -4.59 118.70 120.34 1c89 s GLU 25 Ca 0.46 -0.55 -0.21 0.00 0.36 0.00 0.00 54.97 55.03 1c89 s GLU 25 Cb -0.01 -2.88 0.10 0.00 0.26 0.00 0.00 34.13 31.60 1c89 s GLU 25 CO 0.02 0.60 1.04 0.08 -0.54 0.00 0.00 175.26 176.46 1c89 s VAL 26 N -1.40 4.51 -0.08 3.70 1.01 -1.26 -0.41 120.40 126.48 1c89 s VAL 26 Ca 0.30 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 1c89 s VAL 26 Cb -0.12 -4.73 0.03 0.00 0.00 0.00 0.00 36.38 31.55 1c89 s VAL 26 CO 0.23 -1.48 0.34 0.68 0.00 0.00 0.00 175.10 174.86 1c89 s VAL 27 N 3.42 0.03 0.43 2.92 -7.23 -1.26 -4.99 120.40 113.71 1c89 s VAL 27 Ca 0.27 -0.22 -0.02 0.00 -1.81 0.00 0.00 61.98 60.19 1c89 s VAL 27 Cb -0.11 -0.56 -0.03 0.00 0.56 0.00 0.00 36.38 36.24 1c89 s VAL 27 CO 0.00 -0.12 0.68 0.42 -0.31 0.00 0.00 175.10 175.77 1c89 s THR 28 N -0.55 4.85 0.69 5.32 -4.23 -1.26 -4.26 115.64 116.20 1c89 s THR 28 Ca -0.07 -0.16 -0.11 0.00 -1.18 0.00 0.00 61.69 60.17 1c89 s THR 28 Cb -0.04 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 70.00 1c89 s THR 28 CO 0.02 -0.66 1.06 -2.16 -0.54 0.00 0.00 174.62 172.35 1c89 s PRO 29 N -4.55 2.96 -1.22 3.99 0.04 -1.26 -5.01 135.00 129.95 1c89 s PRO 29 Ca 0.45 0.82 -0.21 0.00 0.04 0.00 0.00 61.00 62.10 1c89 s PRO 29 Cb -0.10 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 1c89 s PRO 29 CO 0.40 -1.05 1.88 -1.33 0.04 0.00 0.00 177.00 176.95 1c89 n MET 30 N -3.08 2.05 0.00 4.56 2.81 -1.26 -4.90 117.12 117.30 1c89 n MET 30 Ca 0.07 -2.69 0.00 0.00 -1.81 0.00 0.00 57.70 53.27 1c89 n MET 30 Cb 0.54 -3.66 0.00 0.00 -0.71 0.00 0.00 33.22 29.39 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 5.66 -2.95 3.65 3.03 0.00 -1.26 -4.79 105.19 108.53 1c89 n GLY 31 Ca 0.46 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1c89 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c89 s ILE 32 N 0.00 4.99 0.45 -0.61 1.01 -0.71 -4.98 121.20 121.35 1c89 s ILE 32 Ca 0.00 1.21 -0.08 0.00 0.00 0.00 0.00 60.65 61.78 1c89 s ILE 32 Cb 0.00 -3.96 0.11 0.00 0.01 0.00 0.00 42.46 38.62 1c89 s ILE 32 CO 0.00 0.07 0.45 -0.81 0.00 0.00 0.00 174.94 174.65 1c89 n PRO 33 N 5.33 -1.47 -0.13 2.79 -0.04 -1.26 -2.32 135.00 137.90 1c89 n PRO 33 Ca -0.00 -0.71 0.02 0.00 -0.04 0.00 0.00 63.50 62.77 1c89 n PRO 33 Cb 0.49 -0.60 0.08 0.00 -0.04 0.00 0.00 33.50 33.43 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 -3.62 2.61 -0.01 0.55 0.00 -1.26 -4.12 120.51 114.67 1c89 n ALA 34 Ca -0.08 -0.34 -0.12 0.00 0.00 0.00 0.00 53.44 52.89 1c89 n ALA 34 Cb 0.23 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 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 0.92 0.09 -0.87 0.00 4.39 -1.99 -2.94 114.58 114.18 1c89 h GLU 35 Ca 0.00 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.52 1c89 h GLU 35 Cb 0.47 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.02 1c89 h GLU 35 CO 0.05 0.39 0.20 0.39 -1.16 0.00 0.00 179.01 178.87 1c89 n GLU 36 N -4.87 2.57 -0.37 2.33 -0.58 -1.26 -4.62 120.64 113.83 1c89 n GLU 36 Ca -0.07 -1.85 -0.10 0.00 -0.42 0.00 0.00 57.16 54.72 1c89 n GLU 36 Cb 0.19 -1.84 -0.09 0.00 -0.57 0.00 0.00 31.44 29.14 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 -0.05 -0.60 0.79 -3.67 2.08 -1.11 0.25 119.36 117.05 1c89 n ILE 37 Ca 0.26 2.31 0.07 0.00 0.56 0.00 0.00 62.75 65.96 1c89 n ILE 37 Cb 1.01 -2.87 0.39 0.00 -0.75 0.00 0.00 39.64 37.42 1c89 n ILE 37 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1c89 n PRO 38 N -5.00 0.33 -0.10 0.38 -0.04 -1.26 -1.39 135.00 127.92 1c89 n PRO 38 Ca 0.02 0.07 -0.17 0.00 -0.04 0.00 0.00 63.50 63.38 1c89 n PRO 38 Cb 0.23 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.14 1.78 -0.36 3.54 4.13 0.71 -4.56 115.26 119.36 1c89 n ASN 39 Ca 0.09 0.30 0.13 0.00 1.68 0.00 0.00 54.58 56.78 1c89 n ASN 39 Cb 0.08 -0.70 0.58 0.00 -1.54 0.00 0.00 39.78 38.19 1c89 n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1c89 n LEU 40 N -4.22 1.12 -4.77 3.41 -0.00 0.17 -4.84 117.00 107.87 1c89 n LEU 40 Ca -0.30 -0.40 -0.35 0.00 -0.00 0.00 0.00 56.01 54.96 1c89 n LEU 40 Cb 0.65 -0.02 0.02 0.00 -0.00 0.00 0.00 43.42 44.06 1c89 n LEU 40 CO 0.11 0.20 0.79 -0.69 -0.00 0.00 0.00 177.39 177.80 1c89 s VAL 41 N -1.95 3.02 0.00 1.47 1.01 -0.49 -2.48 120.40 120.99 1c89 s VAL 41 Ca 0.38 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1c89 s VAL 41 Cb 0.20 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1c89 s VAL 41 CO 0.31 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1c89 n GLY 42 N 0.11 0.15 3.77 4.51 0.00 0.41 -4.81 105.19 109.34 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 -1.30 4.35 0.11 1.61 1.00 -1.03 -3.86 119.30 120.17 1c89 s MET 43 Ca 0.00 1.93 -0.25 0.00 0.00 0.00 0.00 55.69 57.38 1c89 s MET 43 Cb 0.00 -2.97 -0.07 0.00 0.00 0.00 0.00 34.83 31.79 1c89 s MET 43 CO 0.00 -0.09 0.75 -0.65 0.00 0.00 0.00 175.02 175.03 1c89 s GLN 44 N -1.86 4.51 0.54 2.03 -0.21 -1.23 -2.63 119.66 120.80 1c89 s GLN 44 Ca 0.50 1.08 -0.06 0.00 0.02 0.00 0.00 55.36 56.90 1c89 s GLN 44 Cb -0.34 -3.30 -0.02 0.00 1.00 0.00 0.00 33.01 30.35 1c89 s GLN 44 CO 0.44 0.45 0.86 0.14 -2.12 0.00 0.00 175.29 175.06 1c89 s VAL 45 N -0.68 4.49 -0.78 1.09 -7.23 -1.23 -4.73 120.40 111.35 1c89 s VAL 45 Ca 0.36 0.24 0.24 0.00 -1.81 0.00 0.00 61.98 61.01 1c89 s VAL 45 Cb -0.22 -3.74 -0.05 0.00 0.56 0.00 0.00 36.38 32.93 1c89 s VAL 45 CO 0.24 -0.78 1.20 0.59 -0.31 0.00 0.00 175.10 176.05 1c89 n ASN 46 N -2.43 0.62 -3.46 4.85 4.13 -1.06 -1.46 115.26 116.46 1c89 n ASN 46 Ca 0.03 -0.22 -0.14 0.00 1.68 0.00 0.00 54.58 55.92 1c89 n ASN 46 Cb 0.56 0.50 -0.05 0.00 -1.54 0.00 0.00 39.78 39.25 1c89 n ASN 46 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1c89 s ARG 47 N -3.11 1.77 0.50 3.52 1.70 -1.26 -4.81 118.95 117.26 1c89 s ARG 47 Ca 0.07 -1.70 -0.21 0.00 -0.47 0.00 0.00 55.73 53.42 1c89 s ARG 47 Cb 0.15 0.42 -0.07 0.00 -0.57 0.00 0.00 34.95 34.88 1c89 s ARG 47 CO 0.76 -0.72 1.10 0.00 -1.08 0.00 0.00 175.30 175.36 1c89 s ALA 48 N -3.34 2.84 -0.10 7.88 0.00 -1.26 -4.28 121.76 123.50 1c89 s ALA 48 Ca 0.31 0.76 0.04 0.00 0.00 0.00 0.00 51.96 53.07 1c89 s ALA 48 Cb 0.01 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1c89 s ALA 48 CO 0.19 -0.55 -0.24 0.08 0.00 0.00 0.00 175.76 175.24 1c89 s VAL 49 N -1.79 2.06 0.89 0.00 1.01 0.70 -4.95 120.40 118.32 1c89 s VAL 49 Ca 0.68 -1.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 1c89 s VAL 49 Cb -0.22 -1.79 0.22 0.00 0.00 0.00 0.00 36.38 34.59 1c89 s VAL 49 CO 0.26 0.56 0.86 -0.81 0.00 0.00 0.00 175.10 175.97 1c89 n PRO 50 N 3.59 -2.29 -2.68 2.72 -0.04 -1.26 -0.05 135.00 134.98 1c89 n PRO 50 Ca -0.19 -1.36 -0.41 0.00 -0.04 0.00 0.00 63.50 61.50 1c89 n PRO 50 Cb 0.53 -1.19 -0.04 0.00 -0.04 0.00 0.00 33.50 32.76 1c89 n PRO 50 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1c89 s LEU 51 N 0.00 4.48 -0.52 1.53 1.02 -1.26 -3.54 118.68 120.39 1c89 s LEU 51 Ca 0.54 1.83 -0.03 0.00 0.02 0.00 0.00 54.13 56.49 1c89 s LEU 51 Cb -0.04 -3.59 0.00 0.00 0.02 0.00 0.00 46.19 42.58 1c89 s LEU 51 CO 0.41 -0.13 0.33 0.61 0.02 0.00 0.00 176.35 177.59 1c89 n GLY 52 N 2.35 0.35 3.70 -3.19 0.00 0.30 -4.92 105.19 103.77 1c89 n GLY 52 Ca 0.03 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.96 4.98 0.57 2.61 2.01 0.21 -4.75 115.64 118.31 1c89 s THR 53 Ca 0.17 1.52 -0.16 0.00 0.31 0.00 0.00 61.69 63.53 1c89 s THR 53 Cb -0.07 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 1c89 s THR 53 CO 0.20 0.17 1.05 0.28 -0.69 0.00 0.00 174.62 175.63 1c89 s THR 54 N 1.31 3.91 -1.17 -0.82 -1.32 -1.26 0.40 115.64 116.68 1c89 s THR 54 Ca 0.38 0.94 -0.22 0.00 -1.21 0.00 0.00 61.69 61.58 1c89 s THR 54 Cb -0.17 -3.44 -0.05 0.00 -1.51 0.00 0.00 72.50 67.33 1c89 s THR 54 CO 0.17 -0.50 1.89 -0.76 -2.21 0.00 0.00 174.62 173.20 1c89 s LEU 55 N -4.31 3.22 0.25 9.08 2.01 -0.67 -4.84 118.68 123.41 1c89 s LEU 55 Ca 0.63 -1.69 -0.07 0.00 0.01 0.00 0.00 54.13 53.01 1c89 s LEU 55 Cb -0.15 -2.58 -0.06 0.00 0.01 0.00 0.00 46.19 43.40 1c89 s LEU 55 CO 0.34 -2.66 0.53 -0.32 1.01 0.00 0.00 176.35 175.25 1c89 s MET 56 N 6.08 3.71 0.24 1.70 1.75 -1.26 -1.74 119.30 129.78 1c89 s MET 56 Ca 0.65 0.12 0.24 0.00 -1.25 0.00 0.00 55.69 55.45 1c89 s MET 56 Cb -0.01 -2.67 0.94 0.00 2.84 0.00 0.00 34.83 35.93 1c89 s MET 56 CO 0.10 0.29 1.73 -0.35 -0.65 0.00 0.00 175.02 176.14 1c89 n PRO 57 N -0.46 0.21 0.08 4.11 -0.04 -1.26 -2.58 135.00 135.05 1c89 n PRO 57 Ca -0.01 0.37 -0.08 0.00 -0.04 0.00 0.00 63.50 63.74 1c89 n PRO 57 Cb 0.53 -1.85 -0.06 0.00 -0.04 0.00 0.00 33.50 32.08 1c89 n PRO 57 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1c89 h ASP 58 N 0.00 0.10 0.87 3.54 3.58 -1.95 -3.27 116.42 119.30 1c89 h ASP 58 Ca 0.00 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 1c89 h ASP 58 Cb 0.46 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 1c89 h ASP 58 CO 0.00 0.99 -1.14 0.23 -2.88 0.00 0.00 179.24 176.44 1c89 n MET 59 N -3.50 0.61 -4.56 0.28 2.81 -1.13 -4.83 117.12 106.80 1c89 n MET 59 Ca -0.02 0.10 -0.33 0.00 -1.81 0.00 0.00 57.70 55.64 1c89 n MET 59 Cb 0.88 -1.80 -0.14 0.00 -0.71 0.00 0.00 33.22 31.45 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 -3.34 3.12 0.00 2.03 1.01 -1.07 -2.55 120.40 119.60 1c89 s VAL 60 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1c89 s VAL 60 Cb 0.10 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1c89 s VAL 60 CO 0.80 0.50 0.00 2.29 0.00 0.00 0.00 175.10 178.70 1c89 n LYS 61 N 3.81 0.00 -2.09 2.72 0.00 -1.26 -4.60 118.16 116.74 1c89 n LYS 61 Ca -0.18 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.72 1c89 n LYS 61 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.54 1c89 n LYS 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1c89 n ASN 62 N 0.00 4.06 0.00 -5.58 4.13 -1.24 -4.88 115.26 111.75 1c89 n ASN 62 Ca 0.00 -2.83 0.00 0.00 1.68 0.00 0.00 54.58 53.43 1c89 n ASN 62 Cb 0.00 -1.65 0.00 0.00 -1.54 0.00 0.00 39.78 36.59 1c89 n ASN 62 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1c89 n TYR 63 N 8.57 0.00 -3.29 3.10 0.18 -1.26 -4.63 117.16 119.83 1c89 n TYR 63 Ca 0.49 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.27 1c89 n TYR 63 Cb 0.43 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.39 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 2.51 -1.56 -3.48 -0.58 -1.26 -4.92 120.64 111.34 1c89 n GLU 64 Ca 0.00 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 1c89 n GLU 64 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1c89 n ASP 65 N -0.44 7.46 0.24 1.62 5.75 -1.26 -4.56 116.55 125.35 1c89 n ASP 65 Ca 0.00 -2.92 0.16 0.00 -0.01 0.00 0.00 54.79 52.02 1c89 n ASP 65 Cb 0.00 -1.39 0.65 0.00 -1.03 0.00 0.00 41.12 39.35 1c89 n ASP 65 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1c89 h GLY 66 N 5.48 0.00 -0.78 6.12 0.00 -1.95 -3.44 103.07 108.50 1c89 h GLY 66 Ca 0.60 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 47.48 1c89 h GLY 66 CO 1.23 0.00 0.29 -0.51 0.00 0.00 0.00 176.54 177.55 1c89 s THR 67 N -3.59 1.95 0.00 4.70 -4.23 -1.26 -5.05 115.64 108.16 1c89 s THR 67 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 1c89 s THR 67 Cb 0.09 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 71.20 1c89 s THR 67 CO 0.49 0.00 0.00 0.35 -0.54 0.00 0.00 174.62 174.92 1c89 n THR 68 N -3.91 0.00 -2.36 3.99 -2.24 -1.26 -4.94 114.28 103.56 1c89 n THR 68 Ca 0.08 0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.46 1c89 n THR 68 Cb 0.59 -0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 67.94 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 -0.62 6.66 0.00 3.42 0.15 -1.26 -4.96 113.70 117.10 1c89 s SER 69 Ca 0.00 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.03 1c89 s SER 69 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1c89 s SER 69 CO 0.00 -1.06 0.02 -0.81 1.20 0.00 0.00 173.24 172.59 1c89 n PRO 70 N 7.26 0.00 0.00 5.44 -0.04 -1.26 -4.79 135.00 141.61 1c89 n PRO 70 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1c89 n PRO 70 Cb 0.46 -0.26 0.00 0.00 -0.04 0.00 0.00 33.50 33.66 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 1.72 1.00 2.26 0.55 0.00 -1.26 -3.85 105.19 105.61 1c89 n GLY 71 Ca 0.00 0.52 -0.21 0.00 0.00 0.00 0.00 46.02 46.32 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 6.20 -4.75 0.99 4.77 -1.26 -4.92 117.00 118.03 1c89 n LEU 72 Ca 0.00 -3.71 -0.38 0.00 -0.03 0.00 0.00 56.01 51.90 1c89 n LEU 72 Cb 0.00 -1.23 -0.06 0.00 -2.33 0.00 0.00 43.42 39.80 1c89 n LEU 72 CO 0.00 1.61 0.16 -1.59 -1.33 0.00 0.00 177.39 176.24 1c89 s LYS 73 N -1.17 4.24 0.30 3.23 0.00 -1.25 -4.54 119.74 120.55 1c89 s LYS 73 Ca 0.53 0.45 0.07 0.00 0.00 0.00 0.00 55.97 57.03 1c89 s LYS 73 Cb 0.33 -3.37 -0.03 0.00 0.00 0.00 0.00 37.83 34.76 1c89 s LYS 73 CO -0.13 0.31 0.31 -1.54 0.00 0.00 0.00 175.35 174.30 1c89 s SER 74 N 0.11 5.58 -0.12 0.03 1.04 -0.68 -4.47 113.70 115.19 1c89 s SER 74 Ca 0.25 -0.32 -0.26 0.00 0.48 0.00 0.00 55.95 56.11 1c89 s SER 74 Cb -0.16 -1.22 -0.02 0.00 0.10 0.00 0.00 66.02 64.72 1c89 s SER 74 CO 0.11 -0.26 0.83 -0.69 0.98 0.00 0.00 173.24 174.21 1c89 s VAL 75 N -2.20 4.92 0.18 5.02 1.01 -1.02 -0.93 120.40 127.37 1c89 s VAL 75 Ca 0.39 1.66 0.09 0.00 0.00 0.00 0.00 61.98 64.12 1c89 s VAL 75 Cb -0.07 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1c89 s VAL 75 CO 0.27 0.10 -0.10 -0.69 0.00 0.00 0.00 175.10 174.68 1c89 s VAL 76 N 1.66 3.17 -0.78 2.92 1.01 0.40 -2.14 120.40 126.64 1c89 s VAL 76 Ca 0.40 -1.68 -0.25 0.00 0.00 0.00 0.00 61.98 60.46 1c89 s VAL 76 Cb -0.17 -2.57 0.05 0.00 0.00 0.00 0.00 36.38 33.68 1c89 s VAL 76 CO 0.16 -0.12 1.22 0.00 0.00 0.00 0.00 175.10 176.37 1c89 s ALA 77 N -1.72 2.87 0.32 5.51 0.00 0.15 0.47 121.76 129.35 1c89 s ALA 77 Ca 0.25 -1.71 0.02 0.00 0.00 0.00 0.00 51.96 50.52 1c89 s ALA 77 Cb -0.09 -4.20 0.60 0.00 0.00 0.00 0.00 23.12 19.43 1c89 s ALA 77 CO 0.15 -3.20 1.91 -0.97 0.00 0.00 0.00 175.76 173.65 1c89 h ASN 78 N 9.81 0.84 -5.34 0.00 -0.73 -1.51 -0.67 115.58 117.98 1c89 h ASN 78 Ca -0.18 0.01 -0.47 0.00 1.87 0.00 0.00 56.30 57.54 1c89 h ASN 78 Cb 1.05 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 39.43 1c89 h ASN 78 CO 1.27 0.53 -0.23 0.00 -0.37 0.00 0.00 177.43 178.63 1c89 n GLN 79 N -4.50 0.85 -2.73 6.67 6.02 -1.26 -3.08 117.38 119.35 1c89 n GLN 79 Ca 0.14 -2.77 -0.41 0.00 -0.01 0.00 0.00 57.00 53.94 1c89 n GLN 79 Cb 0.24 0.32 -0.05 0.00 1.02 0.00 0.00 30.24 31.77 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 4.53 -0.21 1.08 1.98 -1.26 -4.12 118.68 120.68 1c89 s LEU 80 Ca 0.24 1.83 0.01 0.00 -2.89 0.00 0.00 54.13 53.33 1c89 s LEU 80 Cb -0.02 -3.59 0.04 0.00 0.66 0.00 0.00 46.19 43.28 1c89 s LEU 80 CO 0.15 -0.02 -0.12 -0.63 -1.89 0.00 0.00 176.35 173.84 1c89 s ILE 81 N -0.25 1.81 0.39 6.68 -1.09 -0.96 -4.98 121.20 122.80 1c89 s ILE 81 Ca 0.46 -1.15 -0.25 0.00 -2.23 0.00 0.00 60.65 57.48 1c89 s ILE 81 Cb -0.24 -1.87 -0.09 0.00 -1.58 0.00 0.00 42.46 38.69 1c89 s ILE 81 CO 0.30 0.16 1.12 -2.16 -1.23 0.00 0.00 174.94 173.14 1c89 s PRO 82 N 1.32 4.13 1.00 2.79 0.04 -1.26 -0.91 135.00 142.10 1c89 s PRO 82 Ca -0.02 1.71 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 1c89 s PRO 82 Cb -0.17 -2.66 -0.15 0.00 0.04 0.00 0.00 34.50 31.56 1c89 s PRO 82 CO -0.08 -0.22 -0.89 -0.89 0.04 0.00 0.00 177.00 174.96 1c89 n ILE 83 N 0.09 0.00 -3.63 0.56 5.41 -1.25 -3.34 119.36 117.20 1c89 n ILE 83 Ca 0.04 -0.42 -0.28 0.00 1.00 0.00 0.00 62.75 63.09 1c89 n ILE 83 Cb 0.48 -0.02 0.01 0.00 -0.71 0.00 0.00 39.64 39.40 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 3.35 -4.72 -3.56 4.38 0.23 0.46 -4.94 115.26 110.46 1c89 n ASN 84 Ca -0.02 -0.70 -0.20 0.00 -0.53 0.00 0.00 54.58 53.14 1c89 n ASN 84 Cb 0.59 -1.50 -0.14 0.00 -2.08 0.00 0.00 39.78 36.64 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 -2.45 -0.26 -0.85 5.53 2.01 -1.21 -4.83 115.64 113.57 1c89 s THR 85 Ca 0.11 -0.01 -0.18 0.00 0.31 0.00 0.00 61.69 61.92 1c89 s THR 85 Cb -0.01 -0.56 -0.22 0.00 0.01 0.00 0.00 72.50 71.72 1c89 s THR 85 CO 0.85 -0.14 2.23 0.00 -0.69 0.00 0.00 174.62 176.87 1c89 n ALA 86 N 5.31 0.64 -1.80 7.40 0.00 -1.24 -4.09 120.51 126.74 1c89 n ALA 86 Ca -0.06 -1.21 -0.40 0.00 0.00 0.00 0.00 53.44 51.77 1c89 n ALA 86 Cb 0.49 -2.82 -0.06 0.00 0.00 0.00 0.00 19.45 17.07 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 8.61 4.62 0.48 0.00 2.34 -0.32 -4.61 118.68 129.80 1c89 s LEU 87 Ca 1.03 1.98 0.03 0.00 0.06 0.00 0.00 54.13 57.23 1c89 s LEU 87 Cb -0.40 -3.61 -0.03 0.00 -0.56 0.00 0.00 46.19 41.59 1c89 s LEU 87 CO 0.27 0.10 0.01 0.42 -1.06 0.00 0.00 176.35 176.09 1c89 s THR 88 N -1.07 1.40 0.54 5.48 -4.23 -1.26 0.24 115.64 116.74 1c89 s THR 88 Ca 0.42 -1.98 0.20 0.00 -1.18 0.00 0.00 61.69 59.15 1c89 s THR 88 Cb -0.27 -2.38 0.30 0.00 1.34 0.00 0.00 72.50 71.50 1c89 s THR 88 CO 0.33 0.00 2.15 0.17 -0.54 0.00 0.00 174.62 176.73 1c89 h LEU 89 N 1.44 0.00 -0.35 4.79 -0.00 -1.95 -1.25 115.31 117.99 1c89 h LEU 89 Ca -0.44 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.46 1c89 h LEU 89 Cb 1.30 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.93 1c89 h LEU 89 CO 0.76 0.00 0.20 -0.37 -0.00 0.00 0.00 178.44 179.03 1c89 h VAL 90 N 0.00 1.03 0.00 0.15 -1.51 -2.01 -1.98 116.25 111.93 1c89 h VAL 90 Ca 0.03 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1c89 h VAL 90 Cb 0.14 0.59 0.00 0.00 -2.13 0.00 0.00 31.29 29.89 1c89 h VAL 90 CO -0.00 0.07 -0.27 0.23 -1.23 0.00 0.00 177.57 176.37 1c89 n MET 91 N -4.90 0.01 -4.06 5.19 2.81 -0.87 -4.78 117.12 110.53 1c89 n MET 91 Ca 0.00 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.55 1c89 n MET 91 Cb 0.06 -1.51 -0.11 0.00 -0.71 0.00 0.00 33.22 30.95 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 -3.00 3.82 -0.13 0.03 1.00 -0.53 -1.63 119.30 118.86 1c89 s MET 92 Ca 0.12 -0.42 0.02 0.00 0.00 0.00 0.00 55.69 55.41 1c89 s MET 92 Cb 0.18 -3.16 0.01 0.00 0.00 0.00 0.00 34.83 31.86 1c89 s MET 92 CO 0.62 0.16 -0.21 0.15 0.00 0.00 0.00 175.02 175.74 1c89 s LYS 93 N 0.65 3.07 -0.63 2.03 1.02 0.18 -4.71 119.74 121.35 1c89 s LYS 93 Ca 0.02 -0.84 -0.25 0.00 0.02 0.00 0.00 55.97 54.93 1c89 s LYS 93 Cb -0.13 -2.45 0.05 0.00 -0.52 0.00 0.00 37.83 34.78 1c89 s LYS 93 CO 0.02 0.04 1.04 0.00 -0.92 0.00 0.00 175.35 175.52 1c89 s ALA 94 N 0.71 3.05 0.18 5.17 0.00 -1.26 0.15 121.76 129.76 1c89 s ALA 94 Ca -0.09 -1.43 0.11 0.00 0.00 0.00 0.00 51.96 50.55 1c89 s ALA 94 Cb -0.16 -3.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.01 1c89 s ALA 94 CO 0.01 -2.71 -0.23 -1.83 0.00 0.00 0.00 175.76 170.99 1c89 s GLU 95 N 4.42 1.55 -0.97 0.00 -1.05 -0.11 -4.81 118.70 117.73 1c89 s GLU 95 Ca 0.30 -1.46 -0.20 0.00 -0.15 0.00 0.00 54.97 53.46 1c89 s GLU 95 Cb -0.13 -1.89 0.10 0.00 -0.44 0.00 0.00 34.13 31.77 1c89 s GLU 95 CO 0.16 0.42 1.26 -2.00 0.95 0.00 0.00 175.26 176.05 1c89 s GLU 96 N -2.54 3.61 0.25 -4.83 -6.30 -1.26 -1.69 118.70 105.94 1c89 s GLU 96 Ca 0.20 -1.55 -0.11 0.00 -2.50 0.00 0.00 54.97 51.00 1c89 s GLU 96 Cb -0.08 -5.09 -0.01 0.00 0.00 0.00 0.00 34.13 28.95 1c89 s GLU 96 CO 0.10 -1.94 0.45 0.54 0.02 0.00 0.00 175.26 174.42 1c89 s VAL 97 N 3.51 0.00 0.25 3.70 0.11 -1.26 -4.70 120.40 122.01 1c89 s VAL 97 Ca 0.38 -1.47 0.08 0.00 -2.93 0.00 0.00 61.98 58.04 1c89 s VAL 97 Cb -0.03 -2.25 -0.04 0.00 -1.53 0.00 0.00 36.38 32.53 1c89 s VAL 97 CO -0.09 0.00 0.09 -0.94 -3.33 0.00 0.00 175.10 170.83 1c89 s SER 98 N -3.04 5.04 1.03 3.54 1.04 -1.26 -4.27 113.70 115.78 1c89 s SER 98 Ca 0.24 -0.44 -0.16 0.00 0.48 0.00 0.00 55.95 56.08 1c89 s SER 98 Cb 0.00 -1.13 0.21 0.00 0.10 0.00 0.00 66.02 65.20 1c89 s SER 98 CO 0.10 -0.01 1.19 -2.16 0.98 0.00 0.00 173.24 173.33 1c89 s PRO 99 N -3.71 0.15 -0.88 4.02 0.04 -1.26 -4.47 135.00 128.89 1c89 s PRO 99 Ca 0.32 -0.05 -0.20 0.00 0.04 0.00 0.00 61.00 61.11 1c89 s PRO 99 Cb -0.07 -1.75 0.11 0.00 0.04 0.00 0.00 34.50 32.82 1c89 s PRO 99 CO 0.22 -2.80 1.13 -1.59 0.04 0.00 0.00 177.00 174.00 1c89 s LYS 100 N -5.51 3.48 0.00 4.56 -2.85 -1.26 -4.93 119.74 113.24 1c89 s LYS 100 Ca 0.69 -1.47 0.00 0.00 -1.00 0.00 0.00 55.97 54.19 1c89 s LYS 100 Cb -0.10 -4.81 0.00 0.00 -2.06 0.00 0.00 37.83 30.86 1c89 s LYS 100 CO 0.54 -1.83 0.00 0.41 0.10 0.00 0.00 175.35 174.57 1c89 n GLY 101 N 5.62 -1.26 3.44 0.59 0.00 -1.26 -4.93 105.19 107.38 1c89 n GLY 101 Ca 0.19 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 3.65 0.92 -0.61 1.01 -0.60 -4.98 121.20 120.59 1c89 s ILE 102 Ca 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 1c89 s ILE 102 Cb 0.00 -2.60 0.15 0.00 0.01 0.00 0.00 42.46 40.01 1c89 s ILE 102 CO 0.00 0.48 1.11 -2.16 0.00 0.00 0.00 174.94 174.37 1c89 s PRO 103 N 0.60 1.03 -0.38 2.79 0.04 -1.26 -2.44 135.00 135.39 1c89 s PRO 103 Ca -0.04 0.50 -0.03 0.00 0.04 0.00 0.00 61.00 61.48 1c89 s PRO 103 Cb -0.15 -1.81 0.10 0.00 0.04 0.00 0.00 34.50 32.69 1c89 s PRO 103 CO 0.03 -2.32 2.52 -1.13 0.04 0.00 0.00 177.00 176.14 1c89 n SER 104 N -3.89 6.41 0.16 6.66 3.41 -1.26 -4.57 113.62 120.54 1c89 n SER 104 Ca 0.06 -3.11 -0.08 0.00 -0.26 0.00 0.00 58.87 55.47 1c89 n SER 104 Cb 0.57 -1.17 -0.04 0.00 -0.26 0.00 0.00 64.21 63.31 1c89 n SER 104 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1c89 h GLU 105 N 2.40 -0.46 -0.53 4.33 5.08 -1.96 -3.33 114.58 120.10 1c89 h GLU 105 Ca 0.34 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1c89 h GLU 105 Cb 0.84 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1c89 h GLU 105 CO 0.80 -0.27 0.00 0.39 -1.00 0.00 0.00 179.01 178.93 1c89 n GLU 106 N -5.10 4.10 0.08 2.33 1.02 -1.26 -4.52 120.64 117.29 1c89 n GLU 106 Ca -0.07 -2.98 0.18 0.00 -0.02 0.00 0.00 57.16 54.28 1c89 n GLU 106 Cb 0.21 -2.04 0.72 0.00 -0.02 0.00 0.00 31.44 30.31 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 3.52 0.67 -0.92 -3.67 2.10 -1.84 -0.75 117.51 116.63 1c89 h ILE 107 Ca 0.00 0.00 0.08 0.00 1.08 0.00 0.00 64.86 66.02 1c89 h ILE 107 Cb 1.67 0.78 -0.06 0.00 -1.09 0.00 0.00 36.82 38.12 1c89 h ILE 107 CO 0.34 0.00 0.59 0.28 -1.08 0.00 0.00 178.15 178.29 1c89 h SER 108 N 0.00 0.88 1.03 2.19 0.02 -1.85 0.48 113.55 116.30 1c89 h SER 108 Ca 0.18 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1c89 h SER 108 Cb 0.80 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 1c89 h SER 108 CO -0.00 0.54 -1.00 0.50 -1.14 0.00 0.00 176.83 175.73 1c89 h LYS 109 N 0.98 0.00 -0.52 3.45 3.64 -1.52 -3.30 116.57 119.30 1c89 h LYS 109 Ca 0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1c89 h LYS 109 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1c89 h LYS 109 CO -0.17 0.11 0.00 1.28 -2.27 0.00 0.00 179.45 178.41 1c89 n LEU 110 N -2.81 3.35 -4.68 5.20 4.77 -0.65 -4.91 117.00 117.27 1c89 n LEU 110 Ca -0.02 -1.58 -0.45 0.00 -0.03 0.00 0.00 56.01 53.93 1c89 n LEU 110 Cb 0.64 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 1c89 n LEU 110 CO 0.40 0.79 1.34 0.52 -1.33 0.00 0.00 177.39 179.11 1c89 n VAL 111 N 1.36 0.19 -1.44 4.08 0.31 0.16 -0.45 118.33 122.54 1c89 n VAL 111 Ca 0.21 -0.03 -0.10 0.00 -0.01 0.00 0.00 64.34 64.40 1c89 n VAL 111 Cb 0.55 -1.80 -0.04 0.00 -0.91 0.00 0.00 33.84 31.64 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 3.87 0.97 3.80 2.92 0.00 0.67 -4.91 105.19 112.51 1c89 n GLY 112 Ca 0.18 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 1c89 n GLY 112 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1c89 s MET 113 N -3.14 3.27 -0.21 1.61 0.00 0.41 -4.08 119.30 117.17 1c89 s MET 113 Ca 0.00 1.21 -0.17 0.00 0.00 0.00 0.00 55.69 56.73 1c89 s MET 113 Cb 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 34.83 32.77 1c89 s MET 113 CO 0.00 -0.85 0.46 -0.65 0.00 0.00 0.00 175.02 173.98 1c89 s GLN 114 N -4.11 4.17 0.39 3.16 -0.21 -1.26 -1.18 119.66 120.62 1c89 s GLN 114 Ca 0.64 0.30 -0.09 0.00 0.02 0.00 0.00 55.36 56.22 1c89 s GLN 114 Cb -0.16 -3.56 -0.06 0.00 1.00 0.00 0.00 33.01 30.22 1c89 s GLN 114 CO 0.38 -0.12 0.74 0.54 -2.12 0.00 0.00 175.29 174.71 1c89 s VAL 115 N 1.56 4.82 -2.77 1.09 0.11 -1.26 -4.35 120.40 119.61 1c89 s VAL 115 Ca 0.21 0.52 0.24 0.00 -2.93 0.00 0.00 61.98 60.02 1c89 s VAL 115 Cb -0.15 -3.74 0.29 0.00 -1.53 0.00 0.00 36.38 31.25 1c89 s VAL 115 CO 0.09 -0.50 1.32 -0.46 -3.33 0.00 0.00 175.10 172.21 1c89 n ASN 116 N -1.28 3.21 -4.50 3.54 6.94 -1.26 -0.41 115.26 121.50 1c89 n ASN 116 Ca 0.02 -2.00 -0.26 0.00 -0.02 0.00 0.00 54.58 52.32 1c89 n ASN 116 Cb 0.54 -0.11 -0.10 0.00 -2.36 0.00 0.00 39.78 37.75 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 -1.77 1.88 0.16 -3.83 0.52 -1.26 -4.71 118.95 109.94 1c89 s ARG 117 Ca 0.33 -2.10 -0.09 0.00 -0.52 0.00 0.00 55.73 53.35 1c89 s ARG 117 Cb 0.21 -1.17 -0.06 0.00 0.52 0.00 0.00 34.95 34.45 1c89 s ARG 117 CO 0.31 -0.22 0.47 0.00 0.02 0.00 0.00 175.30 175.87 1c89 s ALA 118 N -3.04 3.66 0.02 2.13 0.00 -1.26 -3.91 121.76 119.36 1c89 s ALA 118 Ca 0.29 -0.35 0.07 0.00 0.00 0.00 0.00 51.96 51.97 1c89 s ALA 118 Cb 0.07 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.83 1c89 s ALA 118 CO 0.14 0.55 -0.20 0.08 0.00 0.00 0.00 175.76 176.34 1c89 s VAL 119 N -1.62 1.57 0.00 0.00 1.01 -0.08 -4.91 120.40 116.36 1c89 s VAL 119 Ca 0.41 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1c89 s VAL 119 Cb -0.13 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1c89 s VAL 119 CO 0.21 0.28 0.00 -1.22 0.00 0.00 0.00 175.10 174.37 1c89 n TYR 120 N 2.15 -1.72 0.00 5.22 4.01 -1.26 -2.26 117.16 123.30 1c89 n TYR 120 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1c89 n TYR 120 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1c89 n TYR 120 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1c89 n LEU 121 N 0.00 0.00 -3.82 7.72 -0.00 -1.26 -4.00 117.00 115.64 1c89 n LEU 121 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.70 1c89 n LEU 121 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1c89 n LEU 121 CO 0.00 0.00 1.25 -0.67 -0.00 0.00 0.00 177.39 177.97 1c89 n ASP 122 N 0.00 0.68 -4.40 1.96 -0.08 -0.27 -4.28 116.55 110.16 1c89 n ASP 122 Ca 0.00 -2.20 -0.30 0.00 -1.51 0.00 0.00 54.79 50.78 1c89 n ASP 122 Cb 0.00 -0.71 -0.13 0.00 2.34 0.00 0.00 41.12 42.62 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1c89 s GLN 123 N 6.74 1.78 0.53 -0.67 0.74 -1.13 -3.68 119.66 123.97 1c89 s GLN 123 Ca 0.60 -1.14 -0.23 0.00 0.05 0.00 0.00 55.36 54.65 1c89 s GLN 123 Cb 0.08 -2.03 -0.06 0.00 1.10 0.00 0.00 33.01 32.10 1c89 s GLN 123 CO 0.26 0.50 1.39 2.41 -0.55 0.00 0.00 175.29 179.30 1c89 n THR 124 N 1.40 3.64 -2.77 -0.34 -1.04 -1.26 -0.67 114.28 113.24 1c89 n THR 124 Ca -0.17 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 60.93 1c89 n THR 124 Cb 0.52 -1.72 -0.04 0.00 -1.82 0.00 0.00 70.33 67.27 1c89 n THR 124 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1c89 s LEU 125 N -3.34 4.43 -0.31 -4.42 0.05 -0.91 -4.78 118.68 109.39 1c89 s LEU 125 Ca 0.69 1.66 0.14 0.00 0.05 0.00 0.00 54.13 56.67 1c89 s LEU 125 Cb -0.42 -3.51 0.47 0.00 -2.05 0.00 0.00 46.19 40.68 1c89 s LEU 125 CO 0.51 -0.14 1.11 0.23 -0.55 0.00 0.00 176.35 177.51 1c89 n MET 126 N 3.33 2.60 -1.85 1.48 2.81 -1.26 -1.56 117.12 122.67 1c89 n MET 126 Ca 0.03 -3.87 -0.38 0.00 -1.81 0.00 0.00 57.70 51.68 1c89 n MET 126 Cb 0.50 -1.90 -0.04 0.00 -0.71 0.00 0.00 33.22 31.07 1c89 n MET 126 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1c89 n PRO 127 N -0.54 2.07 -0.02 0.03 -0.04 -1.26 -4.57 135.00 130.67 1c89 n PRO 127 Ca 0.26 -2.47 -0.18 0.00 -0.04 0.00 0.00 63.50 61.07 1c89 n PRO 127 Cb 0.84 -3.38 -0.14 0.00 -0.04 0.00 0.00 33.50 30.78 1c89 n PRO 127 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1c89 n ASP 128 N 9.96 1.74 -2.05 3.54 8.00 -1.26 -4.18 116.55 132.30 1c89 n ASP 128 Ca 0.48 0.21 -0.16 0.00 0.71 0.00 0.00 54.79 56.04 1c89 n ASP 128 Cb 0.44 -0.56 0.23 0.00 -0.02 0.00 0.00 41.12 41.21 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 -3.33 2.76 -2.30 -1.24 1.56 -1.26 -4.97 117.12 108.34 1c89 n MET 129 Ca -0.30 -3.05 -0.42 0.00 -0.27 0.00 0.00 57.70 53.66 1c89 n MET 129 Cb 1.05 -2.16 -0.03 0.00 2.15 0.00 0.00 33.22 34.23 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 -3.18 3.72 -0.44 1.12 1.01 -1.26 -4.82 120.40 116.56 1c89 s VAL 130 Ca 0.55 1.21 0.25 0.00 0.00 0.00 0.00 61.98 63.99 1c89 s VAL 130 Cb 0.46 -3.78 0.26 0.00 0.00 0.00 0.00 36.38 33.33 1c89 s VAL 130 CO 0.11 0.07 1.74 0.07 0.00 0.00 0.00 175.10 177.09 1c89 h LYS 131 N 7.04 0.00 -0.01 2.72 2.10 -1.93 -2.21 116.57 124.28 1c89 h LYS 131 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1c89 h LYS 131 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1c89 h LYS 131 CO 0.85 0.00 -0.35 0.09 -2.00 0.00 0.00 179.45 178.04 1c89 n ASN 132 N -2.31 1.01 -4.78 7.07 5.03 -1.26 -4.91 115.26 115.11 1c89 n ASN 132 Ca 0.02 -0.83 -0.36 0.00 0.87 0.00 0.00 54.58 54.28 1c89 n ASN 132 Cb 0.24 0.22 -0.02 0.00 -1.02 0.00 0.00 39.78 39.21 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1c89 s TYR 133 N -2.62 2.92 -1.34 3.10 6.14 -0.83 -4.98 117.35 119.75 1c89 s TYR 133 Ca 0.21 1.56 0.11 0.00 0.64 0.00 0.00 57.07 59.59 1c89 s TYR 133 Cb 0.19 -3.27 0.08 0.00 0.42 0.00 0.00 41.96 39.39 1c89 s TYR 133 CO 0.57 -1.25 0.84 -0.85 0.64 0.00 0.00 175.55 175.50