#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c89 s LYS 2 N 0.00 1.40 0.30 1.20 1.02 -1.26 -5.04 119.74 117.36 1c89 s LYS 2 Ca 0.00 -1.09 -0.28 0.00 0.02 0.00 0.00 55.97 54.62 1c89 s LYS 2 Cb 0.00 -2.25 -0.09 0.00 -0.52 0.00 0.00 37.83 34.97 1c89 s LYS 2 CO 0.00 -1.69 0.99 0.00 -0.92 0.00 0.00 175.35 173.74 1c89 s ALA 3 N -3.29 3.27 0.26 5.17 0.00 -1.26 -4.62 121.76 121.29 1c89 s ALA 3 Ca 0.69 0.66 0.09 0.00 0.00 0.00 0.00 51.96 53.40 1c89 s ALA 3 Cb -0.04 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1c89 s ALA 3 CO 0.46 0.05 0.05 0.45 0.00 0.00 0.00 175.76 176.78 1c89 s SER 4 N -1.31 4.80 -0.67 0.00 0.15 0.48 -4.34 113.70 112.82 1c89 s SER 4 Ca 0.47 -0.54 -0.27 0.00 0.70 0.00 0.00 55.95 56.31 1c89 s SER 4 Cb -0.24 -0.99 0.02 0.00 -1.71 0.00 0.00 66.02 63.10 1c89 s SER 4 CO 0.31 -0.01 1.34 -0.69 1.20 0.00 0.00 173.24 175.38 1c89 s VAL 5 N -2.28 3.75 -0.25 4.45 1.01 -1.03 -0.21 120.40 125.85 1c89 s VAL 5 Ca 0.32 0.53 -0.03 0.00 0.00 0.00 0.00 61.98 62.80 1c89 s VAL 5 Cb -0.07 -4.72 0.02 0.00 0.00 0.00 0.00 36.38 31.61 1c89 s VAL 5 CO 0.21 -1.56 -0.05 -0.69 0.00 0.00 0.00 175.10 173.01 1c89 s VAL 6 N 5.95 3.07 0.08 2.92 1.01 0.44 -0.45 120.40 133.41 1c89 s VAL 6 Ca 0.42 -0.87 -0.35 0.00 0.00 0.00 0.00 61.98 61.18 1c89 s VAL 6 Cb -0.09 -2.52 -0.14 0.00 0.00 0.00 0.00 36.38 33.63 1c89 s VAL 6 CO 0.19 0.24 1.57 0.00 0.00 0.00 0.00 175.10 177.11 1c89 n ALA 7 N 4.72 0.59 0.07 5.51 0.00 0.36 -3.15 120.51 128.60 1c89 n ALA 7 Ca -0.17 0.44 -0.22 0.00 0.00 0.00 0.00 53.44 53.48 1c89 n ALA 7 Cb 0.48 -2.29 -0.15 0.00 0.00 0.00 0.00 19.45 17.49 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 6.13 0.60 -5.58 0.00 -1.24 -1.86 0.95 115.58 114.58 1c89 h ASN 8 Ca -0.46 -0.92 -0.47 0.00 0.71 0.00 0.00 56.30 55.16 1c89 h ASN 8 Cb 1.28 -0.19 0.09 0.00 0.73 0.00 0.00 38.32 40.22 1c89 h ASN 8 CO 0.87 1.63 0.12 0.00 -1.29 0.00 0.00 177.43 178.77 1c89 n GLN 9 N -3.84 -0.14 -3.03 6.67 10.64 -1.26 -2.47 117.38 123.95 1c89 n GLN 9 Ca -0.20 -2.77 -0.43 0.00 -1.83 0.00 0.00 57.00 51.77 1c89 n GLN 9 Cb 0.98 -0.68 -0.06 0.00 -0.86 0.00 0.00 30.24 29.62 1c89 n GLN 9 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1c89 s LEU 10 N 0.00 4.43 -0.17 2.61 0.20 -1.26 -3.96 118.68 120.53 1c89 s LEU 10 Ca 0.68 -0.36 -0.15 0.00 0.69 0.00 0.00 54.13 54.99 1c89 s LEU 10 Cb -0.04 -2.78 -0.04 0.00 -0.43 0.00 0.00 46.19 42.90 1c89 s LEU 10 CO 0.45 -0.91 0.35 -0.63 -0.29 0.00 0.00 176.35 175.32 1c89 s ILE 11 N 3.12 5.26 0.00 6.68 -1.09 0.40 -4.93 121.20 130.65 1c89 s ILE 11 Ca 0.25 0.65 0.00 0.00 -2.23 0.00 0.00 60.65 59.32 1c89 s ILE 11 Cb -0.14 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1c89 s ILE 11 CO 0.19 0.34 0.00 -0.81 -1.23 0.00 0.00 174.94 173.43 1c89 n PRO 12 N 3.87 0.72 -2.54 2.79 -0.04 -1.26 0.22 135.00 138.75 1c89 n PRO 12 Ca -0.10 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.14 1c89 n PRO 12 Cb 0.52 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.03 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 -0.17 2.53 -0.84 0.52 1.09 -1.26 -3.94 121.20 119.13 1c89 s ILE 13 Ca 0.00 -0.58 -0.14 0.00 -1.10 0.00 0.00 60.65 58.83 1c89 s ILE 13 Cb 0.00 -2.96 0.02 0.00 -1.06 0.00 0.00 42.46 38.46 1c89 s ILE 13 CO 0.00 0.00 0.53 -0.46 -0.10 0.00 0.00 174.94 174.91 1c89 n ASN 14 N -2.51 -3.71 -3.67 3.58 0.23 -0.43 -4.84 115.26 103.90 1c89 n ASN 14 Ca 0.09 -0.95 -0.19 0.00 -0.53 0.00 0.00 54.58 52.99 1c89 n ASN 14 Cb 0.60 -1.32 -0.18 0.00 -2.08 0.00 0.00 39.78 36.80 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 -3.27 -0.13 -0.81 5.53 2.01 -1.26 -4.82 115.64 112.89 1c89 s THR 15 Ca 0.20 0.41 -0.25 0.00 0.31 0.00 0.00 61.69 62.35 1c89 s THR 15 Cb -0.11 -0.16 -0.09 0.00 0.01 0.00 0.00 72.50 72.15 1c89 s THR 15 CO 0.78 0.17 2.18 0.00 -0.69 0.00 0.00 174.62 177.06 1c89 s ALA 16 N 2.13 1.26 0.44 7.40 0.00 -1.25 -4.08 121.76 127.67 1c89 s ALA 16 Ca 0.04 -1.04 -0.21 0.00 0.00 0.00 0.00 51.96 50.76 1c89 s ALA 16 Cb -0.12 -4.54 -0.14 0.00 0.00 0.00 0.00 23.12 18.33 1c89 s ALA 16 CO -0.03 -5.22 0.27 1.28 0.00 0.00 0.00 175.76 172.05 1c89 n LEU 17 N 16.10 -1.56 -4.60 0.00 4.77 -1.08 -4.09 117.00 126.53 1c89 n LEU 17 Ca 0.42 0.81 -0.27 0.00 -0.03 0.00 0.00 56.01 56.93 1c89 n LEU 17 Cb 0.46 -0.99 -0.11 0.00 -2.33 0.00 0.00 43.42 40.45 1c89 n LEU 17 CO 0.59 -3.70 -0.28 0.42 -1.33 0.00 0.00 177.39 173.09 1c89 s THR 18 N -1.66 1.81 0.52 -5.08 -4.23 -1.26 0.25 115.64 105.99 1c89 s THR 18 Ca 0.62 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 59.51 1c89 s THR 18 Cb -0.58 -2.91 0.41 0.00 1.34 0.00 0.00 72.50 70.76 1c89 s THR 18 CO 0.61 0.00 2.25 -0.07 -0.54 0.00 0.00 174.62 176.87 1c89 h LEU 19 N 1.79 0.00 0.37 4.79 4.07 -1.93 -2.67 115.31 121.73 1c89 h LEU 19 Ca -0.43 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.51 1c89 h LEU 19 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1c89 h LEU 19 CO 0.79 0.02 -0.18 0.40 -1.08 0.00 0.00 178.44 178.39 1c89 h ILE 20 N 0.00 0.63 -0.23 1.22 5.03 -2.01 -2.84 117.51 119.32 1c89 h ILE 20 Ca -0.00 -0.39 0.00 0.00 -0.12 0.00 0.00 64.86 64.35 1c89 h ILE 20 Cb 0.14 0.83 0.00 0.00 -3.03 0.00 0.00 36.82 34.76 1c89 h ILE 20 CO 0.00 0.07 0.00 1.15 -0.68 0.00 0.00 178.15 178.70 1c89 n MET 21 N -5.21 2.15 -3.53 2.37 0.00 -1.10 -4.71 117.12 107.08 1c89 n MET 21 Ca -0.10 -1.10 -0.41 0.00 0.00 0.00 0.00 57.70 56.09 1c89 n MET 21 Cb 0.26 -1.58 -0.08 0.00 0.00 0.00 0.00 33.22 31.83 1c89 n MET 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 1c89 s MET 22 N -1.64 2.52 -0.13 3.17 0.00 -1.02 -3.21 119.30 118.98 1c89 s MET 22 Ca 0.19 -1.76 -0.02 0.00 0.00 0.00 0.00 55.69 54.10 1c89 s MET 22 Cb 0.13 -3.96 -0.02 0.00 0.00 0.00 0.00 34.83 30.98 1c89 s MET 22 CO 0.08 -1.21 -0.08 0.15 0.00 0.00 0.00 175.02 173.96 1c89 s LYS 23 N 1.38 3.42 -1.15 4.11 1.02 -1.19 -4.92 119.74 122.41 1c89 s LYS 23 Ca 0.06 -0.59 -0.11 0.00 0.02 0.00 0.00 55.97 55.34 1c89 s LYS 23 Cb -0.27 -2.75 0.23 0.00 -0.52 0.00 0.00 37.83 34.53 1c89 s LYS 23 CO -0.00 0.29 1.24 0.00 -0.92 0.00 0.00 175.35 175.96 1c89 s ALA 24 N 0.18 4.42 0.21 5.17 0.00 -1.25 0.16 121.76 130.65 1c89 s ALA 24 Ca -0.04 -3.63 0.04 0.00 0.00 0.00 0.00 51.96 48.33 1c89 s ALA 24 Cb -0.14 -3.80 -0.03 0.00 0.00 0.00 0.00 23.12 19.14 1c89 s ALA 24 CO 0.04 -2.45 0.33 -2.00 0.00 0.00 0.00 175.76 171.68 1c89 s GLU 25 N -0.04 3.43 -0.91 0.00 2.12 0.71 -4.43 118.70 119.57 1c89 s GLU 25 Ca 0.36 -0.71 -0.20 0.00 0.36 0.00 0.00 54.97 54.78 1c89 s GLU 25 Cb -0.07 -2.91 0.12 0.00 0.26 0.00 0.00 34.13 31.53 1c89 s GLU 25 CO -0.05 0.46 1.14 0.08 -0.54 0.00 0.00 175.26 176.36 1c89 s VAL 26 N -1.90 4.60 -0.02 3.70 1.01 -1.26 0.18 120.40 126.71 1c89 s VAL 26 Ca 0.34 -1.38 -0.10 0.00 0.00 0.00 0.00 61.98 60.85 1c89 s VAL 26 Cb -0.10 -4.80 0.01 0.00 0.00 0.00 0.00 36.38 31.50 1c89 s VAL 26 CO 0.29 -1.55 0.22 0.68 0.00 0.00 0.00 175.10 174.74 1c89 s VAL 27 N 3.06 0.06 0.60 2.92 -7.23 -1.26 -4.94 120.40 113.60 1c89 s VAL 27 Ca 0.33 -0.48 -0.02 0.00 -1.81 0.00 0.00 61.98 60.00 1c89 s VAL 27 Cb -0.05 -0.47 0.04 0.00 0.56 0.00 0.00 36.38 36.45 1c89 s VAL 27 CO -0.08 -0.26 0.87 0.42 -0.31 0.00 0.00 175.10 175.74 1c89 s THR 28 N -1.06 2.66 0.80 5.32 -4.23 -1.26 -4.48 115.64 113.39 1c89 s THR 28 Ca -0.11 -0.46 -0.11 0.00 -1.18 0.00 0.00 61.69 59.82 1c89 s THR 28 Cb -0.06 -3.06 0.07 0.00 1.34 0.00 0.00 72.50 70.80 1c89 s THR 28 CO 0.02 -0.05 1.09 -2.16 -0.54 0.00 0.00 174.62 172.98 1c89 s PRO 29 N -4.95 2.07 -0.97 3.99 0.04 -1.26 -4.98 135.00 128.94 1c89 s PRO 29 Ca 0.58 0.74 -0.25 0.00 0.04 0.00 0.00 61.00 62.11 1c89 s PRO 29 Cb -0.10 -1.91 -0.17 0.00 0.04 0.00 0.00 34.50 32.36 1c89 s PRO 29 CO 0.41 -1.65 1.94 -1.33 0.04 0.00 0.00 177.00 176.41 1c89 n MET 30 N -3.47 1.03 0.00 4.56 2.81 -1.26 -4.85 117.12 115.94 1c89 n MET 30 Ca 0.07 -2.02 0.00 0.00 -1.81 0.00 0.00 57.70 53.94 1c89 n MET 30 Cb 0.56 -3.53 0.00 0.00 -0.71 0.00 0.00 33.22 29.53 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 5.59 -1.09 3.70 3.03 0.00 -1.26 -4.93 105.19 110.22 1c89 n GLY 31 Ca 0.45 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 5.18 1.10 -0.61 1.01 -0.65 -4.99 121.20 122.24 1c89 s ILE 32 Ca 0.00 0.11 -0.18 0.00 0.00 0.00 0.00 60.65 60.58 1c89 s ILE 32 Cb 0.00 -3.35 0.25 0.00 0.01 0.00 0.00 42.46 39.36 1c89 s ILE 32 CO 0.00 0.45 1.17 -2.16 0.00 0.00 0.00 174.94 174.40 1c89 s PRO 33 N 0.34 -0.45 -0.21 2.79 0.04 -1.26 -2.46 135.00 133.79 1c89 s PRO 33 Ca 0.06 -0.12 0.05 0.00 0.04 0.00 0.00 61.00 61.03 1c89 s PRO 33 Cb -0.11 -1.69 0.43 0.00 0.04 0.00 0.00 34.50 33.16 1c89 s PRO 33 CO -0.01 -3.19 1.41 0.00 0.04 0.00 0.00 177.00 175.25 1c89 n ALA 34 N -4.38 3.90 -0.04 8.56 0.00 -1.26 -4.38 120.51 122.91 1c89 n ALA 34 Ca 0.13 -1.46 -0.12 0.00 0.00 0.00 0.00 53.44 51.99 1c89 n ALA 34 Cb 0.59 -1.19 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 1.32 0.23 -1.03 0.00 4.57 -1.95 -3.01 114.58 114.71 1c89 h GLU 35 Ca 0.22 -0.09 -0.40 0.00 -1.18 0.00 0.00 59.36 57.91 1c89 h GLU 35 Cb 1.80 -0.01 -0.23 0.00 -0.16 0.00 0.00 28.75 30.15 1c89 h GLU 35 CO 0.50 0.52 0.51 0.39 -1.18 0.00 0.00 179.01 179.75 1c89 n GLU 36 N -4.75 1.97 -0.26 1.92 -0.58 -1.26 -4.63 120.64 113.05 1c89 n GLU 36 Ca -0.06 -2.27 0.04 0.00 -0.42 0.00 0.00 57.16 54.45 1c89 n GLU 36 Cb 0.24 -1.89 0.13 0.00 -0.57 0.00 0.00 31.44 29.35 1c89 n GLU 36 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1c89 h ILE 37 N 0.78 0.28 0.00 -3.67 1.08 -1.81 1.34 117.51 115.50 1c89 h ILE 37 Ca 0.47 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.93 1c89 h ILE 37 Cb 2.22 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 36.20 1c89 h ILE 37 CO 0.87 0.01 0.00 -0.81 -0.69 0.00 0.00 178.15 177.53 1c89 n PRO 38 N -5.43 0.02 -0.10 2.37 -0.04 -1.26 -1.26 135.00 129.30 1c89 n PRO 38 Ca 0.13 0.28 -0.18 0.00 -0.04 0.00 0.00 63.50 63.69 1c89 n PRO 38 Cb 0.45 -1.53 -0.08 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 -1.57 2.01 0.07 3.54 3.02 0.39 -4.47 115.26 118.25 1c89 n ASN 39 Ca 0.03 0.07 0.12 0.00 -0.03 0.00 0.00 54.58 54.77 1c89 n ASN 39 Cb 0.16 -0.46 0.47 0.00 -0.61 0.00 0.00 39.78 39.35 1c89 n ASN 39 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1c89 n LEU 40 N -3.49 0.45 -4.75 3.41 4.32 0.25 -4.60 117.00 112.59 1c89 n LEU 40 Ca -0.38 0.56 -0.35 0.00 -0.02 0.00 0.00 56.01 55.81 1c89 n LEU 40 Cb 0.84 -0.44 0.04 0.00 -1.62 0.00 0.00 43.42 42.23 1c89 n LEU 40 CO 0.12 -0.21 0.82 -0.69 -1.22 0.00 0.00 177.39 176.21 1c89 s VAL 41 N -3.10 2.69 0.00 4.08 1.01 -0.39 -2.47 120.40 122.22 1c89 s VAL 41 Ca 0.10 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1c89 s VAL 41 Cb 0.13 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1c89 s VAL 41 CO 0.49 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1c89 n GLY 42 N 0.37 0.07 3.75 4.51 0.00 0.71 -4.85 105.19 109.75 1c89 n GLY 42 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.62 4.75 0.25 1.61 1.00 -1.03 -4.08 119.30 120.17 1c89 s MET 43 Ca 0.00 1.65 -0.27 0.00 0.00 0.00 0.00 55.69 57.07 1c89 s MET 43 Cb 0.00 -3.23 -0.09 0.00 0.00 0.00 0.00 34.83 31.51 1c89 s MET 43 CO 0.00 0.36 0.89 -0.65 0.00 0.00 0.00 175.02 175.62 1c89 s GLN 44 N -1.32 4.65 0.26 2.03 1.11 -1.26 -2.64 119.66 122.49 1c89 s GLN 44 Ca 0.43 1.30 0.05 0.00 0.01 0.00 0.00 55.36 57.16 1c89 s GLN 44 Cb -0.29 -3.07 -0.03 0.00 -1.01 0.00 0.00 33.01 28.61 1c89 s GLN 44 CO 0.37 0.44 0.37 0.14 0.01 0.00 0.00 175.29 176.61 1c89 s VAL 45 N -1.36 4.98 -2.55 1.09 -7.23 -1.26 -4.68 120.40 109.39 1c89 s VAL 45 Ca 0.43 -1.02 0.22 0.00 -1.81 0.00 0.00 61.98 59.80 1c89 s VAL 45 Cb -0.22 -3.74 0.13 0.00 0.56 0.00 0.00 36.38 33.10 1c89 s VAL 45 CO 0.27 -0.30 1.16 0.59 -0.31 0.00 0.00 175.10 176.51 1c89 n ASN 46 N -1.44 2.61 -4.17 4.85 3.02 -0.73 -1.31 115.26 118.09 1c89 n ASN 46 Ca -0.07 -1.81 -0.11 0.00 -0.03 0.00 0.00 54.58 52.57 1c89 n ASN 46 Cb 0.57 0.13 -0.10 0.00 -0.61 0.00 0.00 39.78 39.77 1c89 n ASN 46 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1c89 s ARG 47 N -1.98 1.02 0.32 3.52 0.52 -1.26 -4.88 118.95 116.21 1c89 s ARG 47 Ca 0.24 -1.51 -0.27 0.00 -0.52 0.00 0.00 55.73 53.67 1c89 s ARG 47 Cb 0.18 0.25 -0.09 0.00 0.52 0.00 0.00 34.95 35.81 1c89 s ARG 47 CO 0.35 -0.31 1.05 0.00 0.02 0.00 0.00 175.30 176.41 1c89 s ALA 48 N -4.09 3.27 -0.23 2.13 0.00 -1.26 -4.13 121.76 117.46 1c89 s ALA 48 Ca 0.29 0.77 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1c89 s ALA 48 Cb 0.07 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.94 1c89 s ALA 48 CO 0.05 -0.12 -0.12 0.08 0.00 0.00 0.00 175.76 175.66 1c89 s VAL 49 N -1.37 2.43 0.00 0.00 1.01 0.60 -4.95 120.40 118.12 1c89 s VAL 49 Ca 0.49 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1c89 s VAL 49 Cb -0.27 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1c89 s VAL 49 CO 0.34 0.26 0.00 -0.81 0.00 0.00 0.00 175.10 174.90 1c89 n PRO 50 N 4.60 -0.52 -2.64 2.72 -0.04 -1.26 0.15 135.00 138.01 1c89 n PRO 50 Ca -0.17 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.93 1c89 n PRO 50 Cb 0.47 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.88 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 4.15 -1.51 1.53 1.43 -1.25 -3.43 118.68 119.58 1c89 s LEU 51 Ca 0.00 1.94 -0.06 0.00 -1.03 0.00 0.00 54.13 54.98 1c89 s LEU 51 Cb 0.00 -4.21 0.02 0.00 0.03 0.00 0.00 46.19 42.03 1c89 s LEU 51 CO 0.00 -0.39 0.66 0.61 0.23 0.00 0.00 176.35 177.46 1c89 n GLY 52 N 0.23 -0.52 3.69 -3.19 0.00 0.31 -4.94 105.19 100.77 1c89 n GLY 52 Ca 0.05 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1c89 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c89 s THR 53 N -3.17 4.99 0.65 2.61 2.01 -0.28 -4.71 115.64 117.75 1c89 s THR 53 Ca 0.35 1.42 -0.15 0.00 0.31 0.00 0.00 61.69 63.62 1c89 s THR 53 Cb -0.16 -4.04 -0.00 0.00 0.01 0.00 0.00 72.50 68.31 1c89 s THR 53 CO 0.43 0.15 1.12 0.28 -0.69 0.00 0.00 174.62 175.91 1c89 s THR 54 N 1.47 3.18 -0.57 -0.82 -1.32 -1.26 0.13 115.64 116.46 1c89 s THR 54 Ca 0.35 0.56 -0.28 0.00 -1.21 0.00 0.00 61.69 61.12 1c89 s THR 54 Cb -0.17 -3.09 0.02 0.00 -1.51 0.00 0.00 72.50 67.75 1c89 s THR 54 CO 0.14 -0.33 1.27 -0.22 -2.21 0.00 0.00 174.62 173.28 1c89 s LEU 55 N -4.80 3.44 -0.19 9.08 1.98 0.40 -4.78 118.68 123.82 1c89 s LEU 55 Ca 0.68 0.20 -0.09 0.00 -2.89 0.00 0.00 54.13 52.02 1c89 s LEU 55 Cb -0.21 -3.15 -0.05 0.00 0.66 0.00 0.00 46.19 43.44 1c89 s LEU 55 CO 0.41 -1.55 0.12 -0.04 -1.89 0.00 0.00 176.35 173.39 1c89 s MET 56 N 5.13 4.05 0.25 1.98 -1.94 -1.26 -1.64 119.30 125.88 1c89 s MET 56 Ca 0.47 -0.23 0.10 0.00 -1.71 0.00 0.00 55.69 54.32 1c89 s MET 56 Cb -0.09 -3.35 0.28 0.00 2.01 0.00 0.00 34.83 33.68 1c89 s MET 56 CO 0.26 0.36 1.56 -1.00 -0.01 0.00 0.00 175.02 176.19 1c89 h PRO 57 N 6.45 0.00 0.00 2.03 0.13 -1.94 -3.03 132.00 135.64 1c89 h PRO 57 Ca -0.42 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.67 1c89 h PRO 57 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1c89 h PRO 57 CO 0.73 0.67 -0.17 0.22 -0.23 0.00 0.00 178.00 179.21 1c89 h ASP 58 N 0.00 0.00 1.34 1.44 3.58 -1.95 -1.90 116.42 118.94 1c89 h ASP 58 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1c89 h ASP 58 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1c89 h ASP 58 CO 0.09 0.17 -0.48 0.24 -2.88 0.00 0.00 179.24 176.38 1c89 h MET 59 N 0.00 0.00 -5.35 0.28 2.86 -1.96 -3.45 114.93 107.32 1c89 h MET 59 Ca -0.00 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 56.96 1c89 h MET 59 Cb 0.37 0.00 -0.32 0.00 0.06 0.00 0.00 31.60 31.71 1c89 h MET 59 CO 0.02 0.00 -0.86 0.08 1.06 0.00 0.00 176.91 177.22 1c89 s VAL 60 N -3.24 2.26 0.00 -2.22 1.01 -0.71 -1.78 120.40 115.72 1c89 s VAL 60 Ca 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1c89 s VAL 60 Cb 0.09 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1c89 s VAL 60 CO 0.71 0.55 0.00 0.29 0.00 0.00 0.00 175.10 176.66 1c89 n LYS 61 N 3.51 2.52 -1.66 2.72 4.76 -1.26 -4.56 118.16 124.19 1c89 n LYS 61 Ca -0.19 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 54.90 1c89 n LYS 61 Cb 0.53 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.66 1c89 n LYS 61 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1c89 n ASN 62 N 0.00 2.85 0.02 4.39 5.03 -1.26 -4.67 115.26 121.63 1c89 n ASN 62 Ca 0.00 -2.69 0.06 0.00 0.87 0.00 0.00 54.58 52.82 1c89 n ASN 62 Cb 0.00 -1.45 0.29 0.00 -1.02 0.00 0.00 39.78 37.60 1c89 n ASN 62 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1c89 n TYR 63 N 11.12 0.14 -1.01 3.10 0.18 -1.26 -3.23 117.16 126.20 1c89 n TYR 63 Ca 0.47 0.06 0.00 0.00 1.88 0.00 0.00 57.90 60.31 1c89 n TYR 63 Cb 0.44 -0.59 0.00 0.00 -0.38 0.00 0.00 39.34 38.80 1c89 n TYR 63 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 1c89 n GLU 64 N -1.63 0.00 -1.10 -3.48 0.28 -1.26 -4.28 120.64 109.17 1c89 n GLU 64 Ca 0.02 -0.27 -0.30 0.00 -0.16 0.00 0.00 57.16 56.46 1c89 n GLU 64 Cb 0.14 -0.49 -0.05 0.00 1.43 0.00 0.00 31.44 32.47 1c89 n GLU 64 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1c89 n ASP 65 N 0.00 7.14 -3.51 -1.84 2.03 -1.20 -4.63 116.55 114.55 1c89 n ASP 65 Ca 0.00 -2.48 -0.28 0.00 0.52 0.00 0.00 54.79 52.56 1c89 n ASP 65 Cb 0.38 -1.40 -0.08 0.00 -0.72 0.00 0.00 41.12 39.30 1c89 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c89 n GLY 66 N 3.43 4.71 3.79 0.27 0.00 -1.26 -4.43 105.19 111.69 1c89 n GLY 66 Ca 0.64 -2.75 -0.31 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.33 3.42 -0.01 2.61 -4.23 -1.26 -5.00 115.64 108.84 1c89 s THR 67 Ca 0.37 0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 61.23 1c89 s THR 67 Cb 0.12 -3.11 -0.07 0.00 1.34 0.00 0.00 72.50 70.78 1c89 s THR 67 CO -0.03 -0.60 0.74 0.74 -0.54 0.00 0.00 174.62 174.92 1c89 h THR 68 N -1.02 0.00 -2.38 3.99 2.02 -1.99 -3.41 112.91 110.12 1c89 h THR 68 Ca -0.45 -0.26 -0.58 0.00 0.77 0.00 0.00 66.41 65.89 1c89 h THR 68 Cb 1.24 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1c89 h THR 68 CO 0.56 0.00 1.35 -0.44 0.37 0.00 0.00 175.52 177.36 1c89 s SER 69 N -3.74 5.78 0.00 4.18 0.01 -1.26 -4.91 113.70 113.76 1c89 s SER 69 Ca -0.06 1.66 0.00 0.00 1.31 0.00 0.00 55.95 58.85 1c89 s SER 69 Cb 0.01 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1c89 s SER 69 CO 0.19 -1.74 0.00 -0.81 0.41 0.00 0.00 173.24 171.30 1c89 n PRO 70 N 8.45 0.00 0.00 12.44 -0.04 -1.26 -4.85 135.00 149.74 1c89 n PRO 70 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1c89 n PRO 70 Cb 0.46 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 1c89 n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c89 n GLY 71 N 2.06 1.97 2.38 0.55 0.00 -1.26 -4.28 105.19 106.62 1c89 n GLY 71 Ca 0.00 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 6.67 -4.71 0.99 4.77 -1.26 -4.95 117.00 118.51 1c89 n LEU 72 Ca 0.00 -4.07 -0.42 0.00 -0.03 0.00 0.00 56.01 51.49 1c89 n LEU 72 Cb 0.00 -1.31 -0.03 0.00 -2.33 0.00 0.00 43.42 39.75 1c89 n LEU 72 CO 0.00 1.81 0.85 -1.59 -1.33 0.00 0.00 177.39 177.13 1c89 s LYS 73 N -0.87 4.46 0.15 3.23 -2.85 -1.26 -4.26 119.74 118.33 1c89 s LYS 73 Ca 0.60 1.72 0.09 0.00 -1.00 0.00 0.00 55.97 57.38 1c89 s LYS 73 Cb 0.32 -3.36 -0.04 0.00 -2.06 0.00 0.00 37.83 32.69 1c89 s LYS 73 CO -0.15 -0.21 -0.12 -1.54 0.10 0.00 0.00 175.35 173.43 1c89 s SER 74 N 0.99 4.16 0.01 0.03 1.04 0.89 -4.22 113.70 116.60 1c89 s SER 74 Ca 0.57 -0.54 -0.30 0.00 0.48 0.00 0.00 55.95 56.16 1c89 s SER 74 Cb -0.28 -0.69 -0.06 0.00 0.10 0.00 0.00 66.02 65.09 1c89 s SER 74 CO 0.29 0.14 1.51 -0.69 0.98 0.00 0.00 173.24 175.48 1c89 s VAL 75 N -1.45 3.49 -0.04 5.02 1.01 -0.42 -1.39 120.40 126.62 1c89 s VAL 75 Ca 0.22 0.86 0.05 0.00 0.00 0.00 0.00 61.98 63.11 1c89 s VAL 75 Cb -0.10 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1c89 s VAL 75 CO 0.13 -0.02 -0.20 -0.69 0.00 0.00 0.00 175.10 174.33 1c89 s VAL 76 N 2.74 1.66 -0.99 2.92 1.01 -0.68 -0.82 120.40 126.23 1c89 s VAL 76 Ca 0.68 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 61.57 1c89 s VAL 76 Cb -0.34 -1.41 0.05 0.00 0.00 0.00 0.00 36.38 34.69 1c89 s VAL 76 CO 0.28 0.47 1.42 0.00 0.00 0.00 0.00 175.10 177.27 1c89 s ALA 77 N -0.15 2.75 0.58 5.51 0.00 0.14 0.85 121.76 131.45 1c89 s ALA 77 Ca -0.01 -2.23 0.28 0.00 0.00 0.00 0.00 51.96 50.00 1c89 s ALA 77 Cb -0.11 -4.48 1.66 0.00 0.00 0.00 0.00 23.12 20.19 1c89 s ALA 77 CO 0.02 -3.56 2.13 -0.97 0.00 0.00 0.00 175.76 173.38 1c89 h ASN 78 N 9.76 0.00 -0.66 0.00 -0.00 -1.79 -1.67 115.58 121.21 1c89 h ASN 78 Ca 0.16 0.00 -0.58 0.00 -0.00 0.00 0.00 56.30 55.88 1c89 h ASN 78 Cb 1.01 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 39.28 1c89 h ASN 78 CO 1.40 0.00 -0.32 -1.58 -0.00 0.00 0.00 177.43 176.93 1c89 s GLN 79 N -4.67 2.27 -0.07 6.67 -0.44 -1.26 -2.88 119.66 119.28 1c89 s GLN 79 Ca -0.05 -2.00 -0.19 0.00 -2.50 0.00 0.00 55.36 50.63 1c89 s GLN 79 Cb 0.15 -2.09 -0.05 0.00 -1.64 0.00 0.00 33.01 29.39 1c89 s GLN 79 CO 0.56 -0.56 0.51 -1.17 0.50 0.00 0.00 175.29 175.13 1c89 s LEU 80 N -4.24 4.34 -0.20 3.68 0.20 -1.25 -4.08 118.68 117.13 1c89 s LEU 80 Ca 0.34 0.94 0.01 0.00 0.69 0.00 0.00 54.13 56.12 1c89 s LEU 80 Cb -0.02 -2.76 0.03 0.00 -0.43 0.00 0.00 46.19 43.01 1c89 s LEU 80 CO 0.21 0.06 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.53 1c89 s ILE 81 N 0.20 2.03 0.51 6.68 -1.09 -0.78 -4.95 121.20 123.79 1c89 s ILE 81 Ca 0.28 -1.09 -0.21 0.00 -2.23 0.00 0.00 60.65 57.40 1c89 s ILE 81 Cb -0.16 -1.93 -0.07 0.00 -1.58 0.00 0.00 42.46 38.72 1c89 s ILE 81 CO 0.13 0.38 1.11 -2.16 -1.23 0.00 0.00 174.94 173.16 1c89 s PRO 82 N 1.26 3.59 0.10 2.79 0.04 -1.26 -0.59 135.00 140.93 1c89 s PRO 82 Ca 0.01 1.57 -0.34 0.00 0.04 0.00 0.00 61.00 62.28 1c89 s PRO 82 Cb -0.15 -2.13 -0.18 0.00 0.04 0.00 0.00 34.50 32.08 1c89 s PRO 82 CO -0.11 -0.65 0.86 -0.89 0.04 0.00 0.00 177.00 176.25 1c89 n ILE 83 N -1.00 0.92 -2.54 0.56 5.41 -1.25 -3.27 119.36 118.18 1c89 n ILE 83 Ca 0.10 -0.23 -0.04 0.00 1.00 0.00 0.00 62.75 63.58 1c89 n ILE 83 Cb 0.51 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.34 1c89 n ILE 83 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1c89 n ASN 84 N 1.76 -6.31 -3.50 4.38 2.85 0.90 -4.97 115.26 110.37 1c89 n ASN 84 Ca 0.19 0.22 -0.22 0.00 -0.11 0.00 0.00 54.58 54.66 1c89 n ASN 84 Cb 0.17 -4.19 -0.13 0.00 1.24 0.00 0.00 39.78 36.86 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1c89 s THR 85 N -2.49 -0.24 -0.84 -0.44 2.01 -1.20 -4.82 115.64 107.61 1c89 s THR 85 Ca 0.11 -0.40 -0.22 0.00 0.31 0.00 0.00 61.69 61.49 1c89 s THR 85 Cb -0.03 -0.83 -0.19 0.00 0.01 0.00 0.00 72.50 71.46 1c89 s THR 85 CO 0.56 -0.43 2.14 0.00 -0.69 0.00 0.00 174.62 176.19 1c89 n ALA 86 N 5.29 0.40 -2.18 7.40 0.00 -1.25 -4.18 120.51 125.98 1c89 n ALA 86 Ca -0.05 -1.58 -0.34 0.00 0.00 0.00 0.00 53.44 51.47 1c89 n ALA 86 Cb 0.46 -2.92 -0.06 0.00 0.00 0.00 0.00 19.45 16.93 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 12.52 4.22 0.00 0.00 2.34 -1.04 -4.62 118.68 132.10 1c89 s LEU 87 Ca 0.85 1.27 0.01 0.00 0.06 0.00 0.00 54.13 56.31 1c89 s LEU 87 Cb -0.18 -3.74 -0.00 0.00 -0.56 0.00 0.00 46.19 41.71 1c89 s LEU 87 CO 0.17 -0.06 0.02 0.35 -1.06 0.00 0.00 176.35 175.78 1c89 n THR 88 N 0.23 0.00 0.10 5.48 -2.24 -1.26 0.25 114.28 116.84 1c89 n THR 88 Ca -0.00 -0.61 0.20 0.00 -2.27 0.00 0.00 64.05 61.37 1c89 n THR 88 Cb 0.52 0.18 0.75 0.00 -2.10 0.00 0.00 70.33 69.68 1c89 n THR 88 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1c89 h LEU 89 N 0.00 0.00 0.39 3.22 -0.00 -1.93 -2.34 115.31 114.64 1c89 h LEU 89 Ca -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.78 1c89 h LEU 89 Cb 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.95 1c89 h LEU 89 CO 0.15 0.00 -0.41 0.58 -0.00 0.00 0.00 178.44 178.76 1c89 h VAL 90 N 0.00 0.17 -0.18 0.15 2.07 -2.01 -1.77 116.25 114.68 1c89 h VAL 90 Ca 0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1c89 h VAL 90 Cb 1.03 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1c89 h VAL 90 CO -0.00 0.00 0.00 0.23 0.02 0.00 0.00 177.57 177.82 1c89 n MET 91 N -5.50 1.50 -4.14 1.57 2.81 -0.90 -4.80 117.12 107.65 1c89 n MET 91 Ca -0.10 -0.68 -0.34 0.00 -1.81 0.00 0.00 57.70 54.77 1c89 n MET 91 Cb 0.40 -1.21 -0.11 0.00 -0.71 0.00 0.00 33.22 31.59 1c89 n MET 91 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1c89 s MET 92 N -1.71 3.85 -0.54 0.03 0.23 -0.67 -3.27 119.30 117.22 1c89 s MET 92 Ca 0.12 -0.41 0.04 0.00 -1.03 0.00 0.00 55.69 54.41 1c89 s MET 92 Cb 0.07 -3.11 0.14 0.00 -1.53 0.00 0.00 34.83 30.40 1c89 s MET 92 CO 0.08 0.24 0.30 0.15 -2.03 0.00 0.00 175.02 173.77 1c89 s LYS 93 N 0.41 1.95 -0.72 3.16 1.02 0.25 -4.88 119.74 120.94 1c89 s LYS 93 Ca 0.01 -2.67 -0.26 0.00 0.02 0.00 0.00 55.97 53.07 1c89 s LYS 93 Cb -0.13 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 33.99 1c89 s LYS 93 CO 0.01 -1.16 1.86 0.00 -0.92 0.00 0.00 175.35 175.14 1c89 s ALA 94 N -0.42 2.04 0.34 5.17 0.00 -1.26 -1.68 121.76 125.95 1c89 s ALA 94 Ca 0.19 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.23 1c89 s ALA 94 Cb -0.21 -4.39 -0.07 0.00 0.00 0.00 0.00 23.12 18.46 1c89 s ALA 94 CO -0.04 -4.16 -0.02 -1.21 0.00 0.00 0.00 175.76 170.33 1c89 s GLU 95 N 6.94 1.74 -0.95 0.00 0.41 -0.49 -4.68 118.70 121.68 1c89 s GLU 95 Ca 0.66 -1.94 -0.24 0.00 -0.41 0.00 0.00 54.97 53.05 1c89 s GLU 95 Cb -0.10 -1.33 0.01 0.00 -1.78 0.00 0.00 34.13 30.93 1c89 s GLU 95 CO 0.13 -0.02 1.63 -2.00 -0.49 0.00 0.00 175.26 174.51 1c89 s GLU 96 N -3.74 3.18 0.12 1.61 -6.30 -1.26 -0.08 118.70 112.22 1c89 s GLU 96 Ca 0.33 -0.72 -0.03 0.00 -2.50 0.00 0.00 54.97 52.05 1c89 s GLU 96 Cb 0.06 -5.16 -0.03 0.00 0.00 0.00 0.00 34.13 29.01 1c89 s GLU 96 CO 0.15 -2.63 0.10 0.54 0.02 0.00 0.00 175.26 173.44 1c89 s VAL 97 N 6.94 0.12 0.34 3.70 0.11 -1.26 -4.52 120.40 125.83 1c89 s VAL 97 Ca 0.54 -1.73 0.08 0.00 -2.93 0.00 0.00 61.98 57.95 1c89 s VAL 97 Cb -0.03 -1.84 -0.04 0.00 -1.53 0.00 0.00 36.38 32.94 1c89 s VAL 97 CO -0.04 -0.55 0.21 -0.44 -3.33 0.00 0.00 175.10 170.95 1c89 s SER 98 N -2.99 4.94 0.97 3.54 0.01 -1.26 -4.41 113.70 114.50 1c89 s SER 98 Ca 0.18 -0.66 -0.15 0.00 1.31 0.00 0.00 55.95 56.63 1c89 s SER 98 Cb 0.07 -0.83 0.18 0.00 0.21 0.00 0.00 66.02 65.65 1c89 s SER 98 CO -0.02 -0.33 1.18 -2.16 0.41 0.00 0.00 173.24 172.32 1c89 s PRO 99 N -3.91 0.61 -1.19 12.44 0.04 -1.26 -4.79 135.00 136.94 1c89 s PRO 99 Ca 0.39 0.02 -0.21 0.00 0.04 0.00 0.00 61.00 61.25 1c89 s PRO 99 Cb -0.04 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1c89 s PRO 99 CO 0.24 -2.50 1.89 1.63 0.04 0.00 0.00 177.00 178.30 1c89 n LYS 100 N -3.93 2.10 0.00 4.56 4.76 -1.26 -4.86 118.16 119.53 1c89 n LYS 100 Ca 0.10 -2.63 0.00 0.00 -2.87 0.00 0.00 58.31 52.91 1c89 n LYS 100 Cb 0.59 -3.55 0.00 0.00 -1.84 0.00 0.00 35.03 30.23 1c89 n LYS 100 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1c89 n GLY 101 N 5.45 -0.11 3.48 0.72 0.00 -1.26 -4.95 105.19 108.51 1c89 n GLY 101 Ca 0.47 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 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 3.84 0.88 -0.61 1.01 -0.78 -4.92 121.20 120.62 1c89 s ILE 102 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 1c89 s ILE 102 Cb 0.00 -2.69 0.12 0.00 0.01 0.00 0.00 42.46 39.90 1c89 s ILE 102 CO 0.00 0.48 1.10 -2.16 0.00 0.00 0.00 174.94 174.37 1c89 s PRO 103 N 0.49 1.42 -0.19 2.79 0.04 -1.26 -1.30 135.00 136.99 1c89 s PRO 103 Ca -0.03 0.58 -0.01 0.00 0.04 0.00 0.00 61.00 61.58 1c89 s PRO 103 Cb -0.14 -1.85 0.10 0.00 0.04 0.00 0.00 34.50 32.65 1c89 s PRO 103 CO 0.03 -2.07 2.12 0.45 0.04 0.00 0.00 177.00 177.57 1c89 n SER 104 N -3.73 6.00 0.03 6.66 2.88 -1.26 -4.22 113.62 119.98 1c89 n SER 104 Ca 0.07 -2.80 -0.22 0.00 -1.33 0.00 0.00 58.87 54.59 1c89 n SER 104 Cb 0.57 -1.11 -0.14 0.00 -0.75 0.00 0.00 64.21 62.78 1c89 n SER 104 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1c89 h GLU 105 N 1.44 0.32 -0.09 -1.46 4.11 -1.94 -3.37 114.58 113.58 1c89 h GLU 105 Ca 0.18 -0.54 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1c89 h GLU 105 Cb 0.96 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1c89 h GLU 105 CO 0.45 1.26 0.00 0.39 0.07 0.00 0.00 179.01 181.18 1c89 n GLU 106 N -3.60 1.95 -0.30 1.06 1.02 -1.26 -4.51 120.64 115.00 1c89 n GLU 106 Ca -0.28 -1.81 0.12 0.00 -0.02 0.00 0.00 57.16 55.17 1c89 n GLU 106 Cb 1.04 -1.40 0.28 0.00 -0.02 0.00 0.00 31.44 31.34 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 4.00 0.54 -0.20 -3.67 6.09 -1.79 0.61 117.51 123.09 1c89 h ILE 107 Ca 0.00 -0.16 0.06 0.00 -1.37 0.00 0.00 64.86 63.39 1c89 h ILE 107 Cb 0.86 0.05 -0.01 0.00 0.47 0.00 0.00 36.82 38.19 1c89 h ILE 107 CO 0.00 0.08 0.45 0.77 -3.07 0.00 0.00 178.15 176.39 1c89 h SER 108 N 0.45 0.00 0.22 2.19 4.64 -1.85 0.52 113.55 119.72 1c89 h SER 108 Ca 0.53 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.54 1c89 h SER 108 Cb 0.95 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.98 1c89 h SER 108 CO -0.49 0.00 -2.07 1.17 -0.87 0.00 0.00 176.83 174.57 1c89 n LYS 109 N -3.19 0.66 -0.52 4.77 4.81 0.21 -4.25 118.16 120.65 1c89 n LYS 109 Ca 0.03 0.11 0.09 0.00 -0.87 0.00 0.00 58.31 57.66 1c89 n LYS 109 Cb 0.56 -1.64 0.31 0.00 0.02 0.00 0.00 35.03 34.28 1c89 n LYS 109 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1c89 n LEU 110 N -2.84 4.35 -4.72 3.14 4.77 0.38 -4.96 117.00 117.12 1c89 n LEU 110 Ca -0.25 -2.50 -0.42 0.00 -0.03 0.00 0.00 56.01 52.82 1c89 n LEU 110 Cb 1.08 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1c89 n LEU 110 CO 0.44 0.77 1.10 -0.69 -1.33 0.00 0.00 177.39 177.68 1c89 s VAL 111 N -1.92 3.05 0.00 4.08 1.01 0.15 -1.99 120.40 124.78 1c89 s VAL 111 Ca 0.45 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.20 1c89 s VAL 111 Cb 0.30 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1c89 s VAL 111 CO 0.20 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1c89 n GLY 112 N 3.31 0.45 3.79 4.51 0.00 0.69 -4.88 105.19 113.07 1c89 n GLY 112 Ca 0.11 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 1c89 n GLY 112 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1c89 s MET 113 N -0.83 3.94 -0.14 1.61 1.00 -0.84 -4.32 119.30 119.72 1c89 s MET 113 Ca 0.00 1.41 -0.19 0.00 0.00 0.00 0.00 55.69 56.92 1c89 s MET 113 Cb 0.00 -2.25 -0.04 0.00 0.00 0.00 0.00 34.83 32.54 1c89 s MET 113 CO 0.00 -0.32 0.50 -0.65 0.00 0.00 0.00 175.02 174.55 1c89 s GLN 114 N -2.97 4.30 0.38 2.03 -0.21 -1.26 -2.50 119.66 119.43 1c89 s GLN 114 Ca 0.64 0.46 -0.09 0.00 0.02 0.00 0.00 55.36 56.39 1c89 s GLN 114 Cb -0.18 -3.47 -0.06 0.00 1.00 0.00 0.00 33.01 30.29 1c89 s GLN 114 CO 0.22 0.06 0.72 0.54 -2.12 0.00 0.00 175.29 174.71 1c89 s VAL 115 N 0.94 4.85 -1.78 1.09 0.11 -1.26 -4.82 120.40 119.53 1c89 s VAL 115 Ca 0.26 0.47 0.21 0.00 -2.93 0.00 0.00 61.98 59.99 1c89 s VAL 115 Cb -0.15 -3.74 -0.04 0.00 -1.53 0.00 0.00 36.38 30.92 1c89 s VAL 115 CO 0.10 -0.48 1.01 -3.20 -3.33 0.00 0.00 175.10 169.20 1c89 n ASN 116 N -1.25 1.81 -4.66 3.54 2.85 -1.24 -0.07 115.26 116.24 1c89 n ASN 116 Ca 0.01 -1.40 -0.27 0.00 -0.11 0.00 0.00 54.58 52.81 1c89 n ASN 116 Cb 0.54 0.56 -0.10 0.00 1.24 0.00 0.00 39.78 42.02 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1c89 s ARG 117 N -2.44 2.05 0.19 1.20 1.81 -1.26 -4.68 118.95 115.82 1c89 s ARG 117 Ca 0.16 -2.06 -0.13 0.00 -1.72 0.00 0.00 55.73 51.98 1c89 s ARG 117 Cb 0.17 -1.73 -0.07 0.00 -0.45 0.00 0.00 34.95 32.87 1c89 s ARG 117 CO 0.58 -0.09 0.57 0.00 -0.68 0.00 0.00 175.30 175.68 1c89 s ALA 118 N -2.69 3.54 -0.00 2.13 0.00 -1.26 -3.80 121.76 119.68 1c89 s ALA 118 Ca 0.35 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.21 1c89 s ALA 118 Cb 0.08 -2.54 -0.01 0.00 0.00 0.00 0.00 23.12 20.65 1c89 s ALA 118 CO 0.18 0.45 -0.13 0.08 0.00 0.00 0.00 175.76 176.35 1c89 s VAL 119 N -1.60 1.01 0.00 0.00 1.01 0.24 -4.90 120.40 116.17 1c89 s VAL 119 Ca 0.42 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1c89 s VAL 119 Cb -0.14 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1c89 s VAL 119 CO 0.20 0.24 0.00 -1.22 0.00 0.00 0.00 175.10 174.32 1c89 n TYR 120 N 2.64 -0.90 0.00 5.22 4.01 -1.26 -1.87 117.16 125.00 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 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 1c89 n TYR 120 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1c89 n LEU 121 N 0.00 0.00 -4.50 7.72 -0.00 -1.26 -3.89 117.00 115.07 1c89 n LEU 121 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.81 1c89 n LEU 121 Cb 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 43.42 43.22 1c89 n LEU 121 CO 0.00 0.00 1.90 0.47 -0.00 0.00 0.00 177.39 179.76 1c89 n ASP 122 N 0.00 -0.92 -4.45 1.96 9.92 -0.74 -4.51 116.55 117.80 1c89 n ASP 122 Ca 0.00 -0.75 -0.29 0.00 -0.53 0.00 0.00 54.79 53.22 1c89 n ASP 122 Cb 0.00 -0.73 -0.12 0.00 -0.64 0.00 0.00 41.12 39.63 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 7.28 1.64 0.34 -1.24 2.00 -0.71 -4.75 119.66 124.23 1c89 s GLN 123 Ca 1.21 -1.28 -0.25 0.00 -2.00 0.00 0.00 55.36 53.03 1c89 s GLN 123 Cb -0.70 -2.01 -0.10 0.00 0.80 0.00 0.00 33.01 31.00 1c89 s GLN 123 CO 0.47 0.46 0.98 0.99 -0.50 0.00 0.00 175.29 177.68 1c89 s THR 124 N -1.22 4.08 -0.03 -0.34 2.01 -1.26 0.25 115.64 119.12 1c89 s THR 124 Ca 0.17 1.68 -0.29 0.00 0.31 0.00 0.00 61.69 63.56 1c89 s THR 124 Cb -0.10 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 1c89 s THR 124 CO 0.09 0.09 0.95 -0.22 -0.69 0.00 0.00 174.62 174.84 1c89 s LEU 125 N -2.22 4.33 0.13 4.42 2.96 -0.00 -4.84 118.68 123.45 1c89 s LEU 125 Ca 0.52 1.56 0.07 0.00 -0.22 0.00 0.00 54.13 56.07 1c89 s LEU 125 Cb -0.19 -3.50 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1c89 s LEU 125 CO 0.25 -0.28 -0.18 -0.04 -1.32 0.00 0.00 176.35 174.78 1c89 s MET 126 N 1.22 1.13 0.43 1.98 -1.94 -1.26 -1.86 119.30 118.99 1c89 s MET 126 Ca 0.49 -1.25 0.29 0.00 -1.71 0.00 0.00 55.69 53.50 1c89 s MET 126 Cb -0.20 -1.20 1.02 0.00 2.01 0.00 0.00 34.83 36.46 1c89 s MET 126 CO 0.24 0.26 1.83 -1.00 -0.01 0.00 0.00 175.02 176.34 1c89 h PRO 127 N 3.66 0.00 -0.05 2.03 0.13 -1.96 -2.81 132.00 133.00 1c89 h PRO 127 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.46 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.98 1c89 n ASP 128 N -2.82 0.33 -0.12 1.44 8.00 -1.26 -3.54 116.55 118.58 1c89 n ASP 128 Ca 0.02 -1.81 -0.15 0.00 0.71 0.00 0.00 54.79 53.56 1c89 n ASP 128 Cb 0.35 -0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 41.28 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 -0.41 0.68 -2.54 -1.24 1.56 -1.06 -4.96 117.12 109.15 1c89 n MET 129 Ca 0.07 0.09 -0.33 0.00 -0.27 0.00 0.00 57.70 57.26 1c89 n MET 129 Cb 0.08 -1.51 -0.05 0.00 2.15 0.00 0.00 33.22 33.89 1c89 n MET 129 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1c89 s VAL 130 N -2.50 4.43 0.00 1.12 1.01 -1.23 -3.72 120.40 119.51 1c89 s VAL 130 Ca -0.26 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1c89 s VAL 130 Cb 0.08 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1c89 s VAL 130 CO 0.67 -0.54 0.36 0.29 0.00 0.00 0.00 175.10 175.88 1c89 n LYS 131 N -1.25 0.00 -2.97 2.72 5.02 -1.26 -4.35 118.16 116.07 1c89 n LYS 131 Ca 0.07 0.24 -0.39 0.00 -2.02 0.00 0.00 58.31 56.21 1c89 n LYS 131 Cb 0.54 -0.98 -0.01 0.00 -0.02 0.00 0.00 35.03 34.56 1c89 n LYS 131 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1c89 n ASN 132 N -1.23 6.11 -4.66 4.39 4.13 -1.26 -5.02 115.26 117.72 1c89 n ASN 132 Ca 0.00 -3.51 -0.43 0.00 1.68 0.00 0.00 54.58 52.32 1c89 n ASN 132 Cb 0.00 -1.10 -0.02 0.00 -1.54 0.00 0.00 39.78 37.12 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 -3.19 2.67 -0.98 3.10 5.04 -1.26 -5.26 117.35 117.47 1c89 s TYR 133 Ca 0.36 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 55.81 1c89 s TYR 133 Cb 0.12 -3.60 0.00 0.00 0.35 0.00 0.00 41.96 38.83 1c89 s TYR 133 CO 0.01 -2.20 0.24 -0.85 -1.34 0.00 0.00 175.55 171.42