#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c89 s LYS 2 N 0.00 0.37 0.35 1.20 0.00 -1.26 -4.97 119.74 115.44 1c89 s LYS 2 Ca 0.00 -0.57 -0.25 0.00 0.00 0.00 0.00 55.97 55.15 1c89 s LYS 2 Cb 0.00 -1.84 -0.10 0.00 0.00 0.00 0.00 37.83 35.89 1c89 s LYS 2 CO 0.00 -2.57 0.99 0.00 0.00 0.00 0.00 175.35 173.77 1c89 s ALA 3 N -3.93 3.17 0.42 0.59 0.00 -1.26 -4.55 121.76 116.18 1c89 s ALA 3 Ca 0.77 0.60 0.07 0.00 0.00 0.00 0.00 51.96 53.40 1c89 s ALA 3 Cb -0.02 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 1c89 s ALA 3 CO 0.54 0.02 0.21 0.45 0.00 0.00 0.00 175.76 176.97 1c89 s SER 4 N -1.59 4.51 -0.62 0.00 0.15 0.15 -4.17 113.70 112.12 1c89 s SER 4 Ca 0.53 -1.04 -0.25 0.00 0.70 0.00 0.00 55.95 55.89 1c89 s SER 4 Cb -0.20 -0.47 0.04 0.00 -1.71 0.00 0.00 66.02 63.68 1c89 s SER 4 CO 0.25 -0.57 1.06 -0.69 1.20 0.00 0.00 173.24 174.49 1c89 s VAL 5 N -2.59 4.17 -0.27 4.45 1.01 -1.00 -2.07 120.40 124.11 1c89 s VAL 5 Ca 0.42 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1c89 s VAL 5 Cb 0.03 -4.69 0.05 0.00 0.00 0.00 0.00 36.38 31.77 1c89 s VAL 5 CO 0.23 -1.39 -0.06 -0.69 0.00 0.00 0.00 175.10 173.19 1c89 s VAL 6 N 4.52 2.62 0.12 2.92 1.01 0.60 -0.91 120.40 131.28 1c89 s VAL 6 Ca 0.31 -1.38 -0.35 0.00 0.00 0.00 0.00 61.98 60.56 1c89 s VAL 6 Cb -0.12 -2.47 -0.14 0.00 0.00 0.00 0.00 36.38 33.65 1c89 s VAL 6 CO 0.17 0.01 1.54 0.00 0.00 0.00 0.00 175.10 176.83 1c89 n ALA 7 N 4.56 0.72 0.08 5.51 0.00 -0.41 -2.06 120.51 128.91 1c89 n ALA 7 Ca -0.15 0.45 -0.23 0.00 0.00 0.00 0.00 53.44 53.52 1c89 n ALA 7 Cb 0.44 -2.29 -0.15 0.00 0.00 0.00 0.00 19.45 17.45 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 5.84 0.63 -5.30 0.00 -1.24 -1.83 0.53 115.58 114.23 1c89 h ASN 8 Ca -0.46 -0.92 -0.43 0.00 0.71 0.00 0.00 56.30 55.20 1c89 h ASN 8 Cb 1.28 -0.21 0.08 0.00 0.73 0.00 0.00 38.32 40.20 1c89 h ASN 8 CO 0.87 1.66 0.12 0.00 -1.29 0.00 0.00 177.43 178.78 1c89 n GLN 9 N -3.80 -0.11 -3.07 6.67 10.64 -1.26 -2.74 117.38 123.70 1c89 n GLN 9 Ca -0.20 -2.49 -0.42 0.00 -1.83 0.00 0.00 57.00 52.07 1c89 n GLN 9 Cb 1.01 -0.64 -0.06 0.00 -0.86 0.00 0.00 30.24 29.68 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 4.21 -0.15 2.61 0.20 -1.26 -4.05 118.68 120.24 1c89 s LEU 10 Ca 0.62 0.26 -0.15 0.00 0.69 0.00 0.00 54.13 55.55 1c89 s LEU 10 Cb -0.03 -2.85 -0.05 0.00 -0.43 0.00 0.00 46.19 42.83 1c89 s LEU 10 CO 0.41 -0.61 0.33 -0.63 -0.29 0.00 0.00 176.35 175.56 1c89 s ILE 11 N 2.78 5.28 0.00 6.68 -1.09 0.74 -4.96 121.20 130.64 1c89 s ILE 11 Ca 0.26 0.62 0.00 0.00 -2.23 0.00 0.00 60.65 59.31 1c89 s ILE 11 Cb -0.14 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1c89 s ILE 11 CO 0.15 0.38 0.00 -0.81 -1.23 0.00 0.00 174.94 173.43 1c89 n PRO 12 N 3.58 0.93 -2.37 2.79 -0.04 -1.26 0.20 135.00 138.83 1c89 n PRO 12 Ca -0.11 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.05 1c89 n PRO 12 Cb 0.52 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.04 4.77 -0.73 0.52 -1.09 -1.26 -4.16 121.20 119.20 1c89 s ILE 13 Ca 0.00 0.65 -0.03 0.00 -2.23 0.00 0.00 60.65 59.04 1c89 s ILE 13 Cb 0.00 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1c89 s ILE 13 CO 0.00 -0.88 0.51 -0.46 -1.23 0.00 0.00 174.94 172.88 1c89 n ASN 14 N -2.18 -3.98 -3.87 3.58 0.23 -0.25 -4.85 115.26 103.94 1c89 n ASN 14 Ca 0.04 -0.86 -0.28 0.00 -0.53 0.00 0.00 54.58 52.95 1c89 n ASN 14 Cb 0.54 -1.34 -0.16 0.00 -2.08 0.00 0.00 39.78 36.74 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 -2.92 1.02 -0.87 5.53 2.01 -1.26 -4.79 115.64 114.37 1c89 s THR 15 Ca 0.04 -0.61 -0.25 0.00 0.31 0.00 0.00 61.69 61.18 1c89 s THR 15 Cb -0.02 -1.24 -0.10 0.00 0.01 0.00 0.00 72.50 71.15 1c89 s THR 15 CO 0.77 0.09 2.18 0.00 -0.69 0.00 0.00 174.62 176.96 1c89 s ALA 16 N 1.67 1.15 0.50 7.40 0.00 -1.25 -4.00 121.76 127.22 1c89 s ALA 16 Ca 0.00 -1.19 -0.18 0.00 0.00 0.00 0.00 51.96 50.59 1c89 s ALA 16 Cb -0.15 -4.58 -0.14 0.00 0.00 0.00 0.00 23.12 18.25 1c89 s ALA 16 CO -0.07 -5.45 0.02 1.28 0.00 0.00 0.00 175.76 171.53 1c89 n LEU 17 N 16.50 -2.76 -4.65 0.00 4.77 -0.96 -4.09 117.00 125.81 1c89 n LEU 17 Ca 0.44 0.69 -0.29 0.00 -0.03 0.00 0.00 56.01 56.82 1c89 n LEU 17 Cb 0.45 -0.91 -0.10 0.00 -2.33 0.00 0.00 43.42 40.53 1c89 n LEU 17 CO 0.57 -4.40 -0.28 0.42 -1.33 0.00 0.00 177.39 172.38 1c89 s THR 18 N -1.91 1.70 0.36 -5.08 -4.23 -1.26 0.20 115.64 105.42 1c89 s THR 18 Ca 0.59 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.15 1c89 s THR 18 Cb -0.51 -2.75 0.22 0.00 1.34 0.00 0.00 72.50 70.80 1c89 s THR 18 CO 0.64 0.00 1.97 0.25 -0.54 0.00 0.00 174.62 176.93 1c89 h LEU 19 N 1.68 0.55 -0.18 4.79 6.46 -1.94 -1.11 115.31 125.56 1c89 h LEU 19 Ca -0.44 -0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.23 1c89 h LEU 19 Cb 1.26 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 41.05 1c89 h LEU 19 CO 0.78 0.48 -0.07 0.40 -0.62 0.00 0.00 178.44 179.41 1c89 h ILE 20 N 0.61 1.30 0.00 4.05 5.03 -2.01 -2.64 117.51 123.85 1c89 h ILE 20 Ca 0.15 -1.10 0.00 0.00 -0.12 0.00 0.00 64.86 63.79 1c89 h ILE 20 Cb 0.09 1.66 0.00 0.00 -3.03 0.00 0.00 36.82 35.54 1c89 h ILE 20 CO -0.02 0.33 0.00 0.23 -0.68 0.00 0.00 178.15 178.01 1c89 n MET 21 N -4.61 0.97 -3.87 2.37 2.81 -1.04 -4.67 117.12 109.08 1c89 n MET 21 Ca -0.05 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.48 1c89 n MET 21 Cb 0.30 -1.29 -0.14 0.00 -0.71 0.00 0.00 33.22 31.39 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 -2.00 3.37 -0.10 0.03 -2.45 -0.45 -2.68 119.30 115.02 1c89 s MET 22 Ca 0.27 -0.64 -0.00 0.00 -1.25 0.00 0.00 55.69 54.06 1c89 s MET 22 Cb 0.12 -3.11 -0.03 0.00 1.25 0.00 0.00 34.83 33.07 1c89 s MET 22 CO 0.21 -0.23 -0.08 0.15 1.05 0.00 0.00 175.02 176.12 1c89 s LYS 23 N 1.50 3.12 -1.20 4.11 1.02 -0.88 -4.88 119.74 122.53 1c89 s LYS 23 Ca 0.05 -0.57 -0.10 0.00 0.02 0.00 0.00 55.97 55.37 1c89 s LYS 23 Cb -0.15 -2.68 0.21 0.00 -0.52 0.00 0.00 37.83 34.70 1c89 s LYS 23 CO -0.01 0.46 1.55 0.00 -0.92 0.00 0.00 175.35 176.42 1c89 n ALA 24 N 2.84 4.68 -2.84 5.17 0.00 -1.26 -0.29 120.51 128.82 1c89 n ALA 24 Ca -0.18 -4.44 -0.32 0.00 0.00 0.00 0.00 53.44 48.51 1c89 n ALA 24 Cb 0.53 -2.81 -0.06 0.00 0.00 0.00 0.00 19.45 17.11 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 -0.08 3.18 -0.95 0.00 2.12 -0.88 -4.60 118.70 117.50 1c89 s GLU 25 Ca 0.38 -0.50 -0.20 0.00 0.36 0.00 0.00 54.97 55.00 1c89 s GLU 25 Cb 0.02 -2.91 0.10 0.00 0.26 0.00 0.00 34.13 31.60 1c89 s GLU 25 CO 0.01 0.62 1.24 0.08 -0.54 0.00 0.00 175.26 176.66 1c89 s VAL 26 N -1.36 4.44 0.24 3.70 1.01 -1.26 0.30 120.40 127.46 1c89 s VAL 26 Ca 0.29 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1c89 s VAL 26 Cb -0.12 -4.87 -0.04 0.00 0.00 0.00 0.00 36.38 31.34 1c89 s VAL 26 CO 0.21 -1.66 0.17 0.68 0.00 0.00 0.00 175.10 174.50 1c89 s VAL 27 N 3.52 0.04 0.36 2.92 -7.23 -1.26 -4.95 120.40 113.80 1c89 s VAL 27 Ca 0.37 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.62 1c89 s VAL 27 Cb -0.03 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 1c89 s VAL 27 CO -0.09 0.00 0.25 0.42 -0.31 0.00 0.00 175.10 175.37 1c89 s THR 28 N -3.93 3.05 0.93 5.32 -4.23 -1.26 -4.44 115.64 111.08 1c89 s THR 28 Ca 0.39 -1.50 -0.14 0.00 -1.18 0.00 0.00 61.69 59.26 1c89 s THR 28 Cb 0.06 -3.06 0.16 0.00 1.34 0.00 0.00 72.50 71.00 1c89 s THR 28 CO 0.16 -0.12 1.19 -2.16 -0.54 0.00 0.00 174.62 173.15 1c89 s PRO 29 N -3.97 0.94 -0.97 3.99 0.04 -1.26 -4.95 135.00 128.82 1c89 s PRO 29 Ca 0.42 0.05 -0.14 0.00 0.04 0.00 0.00 61.00 61.37 1c89 s PRO 29 Cb -0.03 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 1c89 s PRO 29 CO 0.25 -2.29 2.10 -1.33 0.04 0.00 0.00 177.00 175.78 1c89 n MET 30 N -3.78 2.04 0.00 4.56 2.81 -1.26 -4.83 117.12 116.66 1c89 n MET 30 Ca 0.10 -1.82 0.00 0.00 -1.81 0.00 0.00 57.70 54.16 1c89 n MET 30 Cb 0.60 -2.78 0.00 0.00 -0.71 0.00 0.00 33.22 30.32 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 4.13 -2.56 3.65 3.03 0.00 -1.26 -4.84 105.19 107.34 1c89 n GLY 31 Ca 0.50 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 46.04 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 4.63 1.15 -0.61 1.01 -0.43 -4.93 121.20 122.02 1c89 s ILE 32 Ca 0.00 -0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.36 1c89 s ILE 32 Cb 0.00 -3.04 0.27 0.00 0.01 0.00 0.00 42.46 39.70 1c89 s ILE 32 CO 0.00 0.51 1.17 -2.16 0.00 0.00 0.00 174.94 174.46 1c89 s PRO 33 N -0.04 -0.83 -0.24 2.79 0.04 -1.26 -2.37 135.00 133.09 1c89 s PRO 33 Ca 0.05 -0.21 0.12 0.00 0.04 0.00 0.00 61.00 61.01 1c89 s PRO 33 Cb -0.12 -1.66 0.76 0.00 0.04 0.00 0.00 34.50 33.52 1c89 s PRO 33 CO 0.01 -3.42 1.70 0.00 0.04 0.00 0.00 177.00 175.33 1c89 n ALA 34 N -4.53 3.98 -0.07 8.56 0.00 -1.26 -4.47 120.51 122.71 1c89 n ALA 34 Ca 0.14 -1.90 -0.12 0.00 0.00 0.00 0.00 53.44 51.57 1c89 n ALA 34 Cb 0.60 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 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 3.50 0.40 -0.91 0.00 4.57 -1.93 -2.92 114.58 117.29 1c89 h GLU 35 Ca 0.06 -0.14 -0.27 0.00 -1.18 0.00 0.00 59.36 57.83 1c89 h GLU 35 Cb 1.99 -0.03 -0.16 0.00 -0.16 0.00 0.00 28.75 30.39 1c89 h GLU 35 CO 0.52 0.61 0.34 0.39 -1.18 0.00 0.00 179.01 179.69 1c89 n GLU 36 N -4.64 2.52 -0.35 1.92 -0.58 -1.26 -4.64 120.64 113.61 1c89 n GLU 36 Ca -0.04 -2.25 -0.07 0.00 -0.42 0.00 0.00 57.16 54.38 1c89 n GLU 36 Cb 0.26 -1.93 -0.03 0.00 -0.57 0.00 0.00 31.44 29.16 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 1.41 0.02 0.00 -3.67 1.08 -1.79 2.73 117.51 117.29 1c89 h ILE 37 Ca 0.33 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.80 1c89 h ILE 37 Cb 2.14 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 1c89 h ILE 37 CO 0.68 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.33 1c89 n PRO 38 N -5.37 0.03 -0.10 2.37 -0.04 -1.26 0.22 135.00 130.85 1c89 n PRO 38 Ca 0.05 0.24 -0.13 0.00 -0.04 0.00 0.00 63.50 63.62 1c89 n PRO 38 Cb 0.33 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.19 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 -1.47 2.14 0.07 3.54 3.02 0.62 -4.55 115.26 118.63 1c89 n ASN 39 Ca 0.04 -0.09 0.10 0.00 -0.03 0.00 0.00 54.58 54.60 1c89 n ASN 39 Cb 0.16 -0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.21 1c89 n ASN 39 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1c89 n LEU 40 N -2.99 0.68 -4.31 3.41 0.00 0.77 -4.95 117.00 109.60 1c89 n LEU 40 Ca -0.34 0.27 -0.37 0.00 0.00 0.00 0.00 56.01 55.57 1c89 n LEU 40 Cb 0.91 -0.02 0.05 0.00 0.00 0.00 0.00 43.42 44.35 1c89 n LEU 40 CO 0.23 -0.10 -0.41 0.52 0.00 0.00 0.00 177.39 177.63 1c89 n VAL 41 N -2.62 0.90 -1.00 1.96 0.31 0.13 -1.23 118.33 116.77 1c89 n VAL 41 Ca -0.02 -0.45 -0.00 0.00 -0.01 0.00 0.00 64.34 63.86 1c89 n VAL 41 Cb 0.60 -0.37 -0.00 0.00 -0.91 0.00 0.00 33.84 33.15 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 2.25 0.31 3.72 2.92 0.00 0.53 -4.88 105.19 110.04 1c89 n GLY 42 Ca 0.07 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.81 4.35 0.07 1.61 0.00 -0.37 -4.00 119.30 120.16 1c89 s MET 43 Ca 0.00 2.05 -0.21 0.00 0.00 0.00 0.00 55.69 57.54 1c89 s MET 43 Cb 0.00 -3.23 -0.07 0.00 0.00 0.00 0.00 34.83 31.53 1c89 s MET 43 CO 0.00 -0.36 0.61 -0.65 0.00 0.00 0.00 175.02 174.62 1c89 s GLN 44 N 0.64 4.29 0.45 3.16 -0.21 -1.26 -2.26 119.66 124.46 1c89 s GLN 44 Ca 0.61 0.81 -0.01 0.00 0.02 0.00 0.00 55.36 56.79 1c89 s GLN 44 Cb -0.36 -3.26 -0.02 0.00 1.00 0.00 0.00 33.01 30.37 1c89 s GLN 44 CO 0.33 0.57 0.69 0.14 -2.12 0.00 0.00 175.29 174.90 1c89 s VAL 45 N -0.92 4.42 -1.90 1.09 -7.23 -1.26 -4.70 120.40 109.90 1c89 s VAL 45 Ca 0.31 -0.29 0.21 0.00 -1.81 0.00 0.00 61.98 60.40 1c89 s VAL 45 Cb -0.20 -3.65 -0.01 0.00 0.56 0.00 0.00 36.38 33.08 1c89 s VAL 45 CO 0.20 -0.51 1.04 0.59 -0.31 0.00 0.00 175.10 176.10 1c89 n ASN 46 N -2.10 1.93 -3.44 4.85 5.03 -1.10 -1.09 115.26 119.33 1c89 n ASN 46 Ca -0.00 -1.47 -0.20 0.00 0.87 0.00 0.00 54.58 53.79 1c89 n ASN 46 Cb 0.57 0.49 -0.08 0.00 -1.02 0.00 0.00 39.78 39.73 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 -2.37 1.76 0.29 3.52 0.52 -1.26 -4.85 118.95 116.55 1c89 s ARG 47 Ca 0.17 -2.02 -0.29 0.00 -0.52 0.00 0.00 55.73 53.07 1c89 s ARG 47 Cb 0.17 0.25 -0.09 0.00 0.52 0.00 0.00 34.95 35.79 1c89 s ARG 47 CO 0.55 -0.63 1.06 0.00 0.02 0.00 0.00 175.30 176.29 1c89 s ALA 48 N -3.45 3.35 -0.20 2.13 0.00 -1.26 -4.25 121.76 118.08 1c89 s ALA 48 Ca 0.39 0.81 0.01 0.00 0.00 0.00 0.00 51.96 53.17 1c89 s ALA 48 Cb 0.02 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.88 1c89 s ALA 48 CO 0.26 -0.08 -0.16 0.08 0.00 0.00 0.00 175.76 175.86 1c89 s VAL 49 N -1.23 2.27 0.00 0.00 1.01 0.13 -5.01 120.40 117.58 1c89 s VAL 49 Ca 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1c89 s VAL 49 Cb -0.29 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1c89 s VAL 49 CO 0.37 0.42 0.00 -0.81 0.00 0.00 0.00 175.10 175.08 1c89 n PRO 50 N 4.61 -0.68 -2.72 2.72 -0.04 -1.26 -0.19 135.00 137.44 1c89 n PRO 50 Ca -0.19 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.91 1c89 n PRO 50 Cb 0.49 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.89 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 4.21 -1.70 1.53 1.43 -1.26 -3.45 118.68 119.44 1c89 s LEU 51 Ca 0.00 1.86 -0.02 0.00 -1.03 0.00 0.00 54.13 54.95 1c89 s LEU 51 Cb 0.00 -4.17 0.00 0.00 0.03 0.00 0.00 46.19 42.06 1c89 s LEU 51 CO 0.00 -0.24 0.20 0.61 0.23 0.00 0.00 176.35 177.15 1c89 n GLY 52 N 0.26 -0.49 3.63 -3.19 0.00 0.18 -4.92 105.19 100.65 1c89 n GLY 52 Ca 0.04 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1c89 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c89 s THR 53 N -3.08 4.64 1.03 2.61 2.01 -0.89 -4.73 115.64 117.24 1c89 s THR 53 Ca 0.10 1.50 -0.11 0.00 0.31 0.00 0.00 61.69 63.48 1c89 s THR 53 Cb -0.04 -4.29 0.21 0.00 0.01 0.00 0.00 72.50 68.38 1c89 s THR 53 CO 0.13 -0.37 1.08 0.28 -0.69 0.00 0.00 174.62 175.05 1c89 s THR 54 N 3.32 2.12 -0.72 -0.82 -1.32 -1.26 -1.29 115.64 115.67 1c89 s THR 54 Ca 0.39 0.04 -0.22 0.00 -1.21 0.00 0.00 61.69 60.69 1c89 s THR 54 Cb -0.13 -2.13 0.08 0.00 -1.51 0.00 0.00 72.50 68.80 1c89 s THR 54 CO 0.14 -0.05 1.03 -0.22 -2.21 0.00 0.00 174.62 173.31 1c89 s LEU 55 N -6.86 4.36 -0.19 9.08 1.98 -0.09 -4.78 118.68 122.18 1c89 s LEU 55 Ca 0.67 -1.13 -0.09 0.00 -2.89 0.00 0.00 54.13 50.68 1c89 s LEU 55 Cb -0.23 -2.43 -0.05 0.00 0.66 0.00 0.00 46.19 44.14 1c89 s LEU 55 CO 0.61 -1.42 0.12 0.00 -1.89 0.00 0.00 176.35 173.77 1c89 s MET 56 N 4.02 4.08 0.00 1.98 0.23 -1.26 -1.31 119.30 127.03 1c89 s MET 56 Ca 0.26 -0.23 0.20 0.00 -1.03 0.00 0.00 55.69 54.89 1c89 s MET 56 Cb -0.14 -3.37 0.88 0.00 -1.53 0.00 0.00 34.83 30.68 1c89 s MET 56 CO 0.07 0.35 1.65 -0.35 -2.03 0.00 0.00 175.02 174.71 1c89 n PRO 57 N 3.35 0.02 0.09 3.16 -0.04 -1.26 -3.12 135.00 137.20 1c89 n PRO 57 Ca -0.17 0.15 -0.02 0.00 -0.04 0.00 0.00 63.50 63.42 1c89 n PRO 57 Cb 0.52 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.70 1c89 n PRO 57 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1c89 h ASP 58 N 0.00 0.27 0.15 3.54 5.19 -1.96 -3.12 116.42 120.49 1c89 h ASP 58 Ca 0.00 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1c89 h ASP 58 Cb 0.34 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.77 1c89 h ASP 58 CO 0.00 0.66 -1.53 0.23 -3.12 0.00 0.00 179.24 175.48 1c89 n MET 59 N -4.03 0.44 -3.84 3.56 2.81 -1.18 -4.91 117.12 109.97 1c89 n MET 59 Ca -0.01 -0.10 -0.36 0.00 -1.81 0.00 0.00 57.70 55.42 1c89 n MET 59 Cb 0.48 -1.55 -0.07 0.00 -0.71 0.00 0.00 33.22 31.37 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 -3.33 5.46 0.00 2.03 1.01 -1.18 -2.72 120.40 121.66 1c89 s VAL 60 Ca -0.02 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1c89 s VAL 60 Cb 0.14 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1c89 s VAL 60 CO 0.87 0.57 0.00 0.29 0.00 0.00 0.00 175.10 176.83 1c89 n LYS 61 N 2.44 0.00 -2.37 2.72 4.76 -1.26 -4.50 118.16 119.96 1c89 n LYS 61 Ca -0.19 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.83 1c89 n LYS 61 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.74 1c89 n LYS 61 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1c89 n ASN 62 N 0.00 5.67 -0.32 4.39 4.05 -1.24 -4.78 115.26 123.04 1c89 n ASN 62 Ca 0.00 -3.16 0.11 0.00 0.45 0.00 0.00 54.58 51.98 1c89 n ASN 62 Cb 0.00 -1.43 0.32 0.00 1.23 0.00 0.00 39.78 39.90 1c89 n ASN 62 CO 0.00 0.00 0.00 0.10 -3.05 0.00 0.00 177.26 174.31 1c89 h TYR 63 N 5.52 0.97 -0.08 1.20 -0.00 -1.93 -3.47 116.97 119.17 1c89 h TYR 63 Ca 0.42 0.03 0.00 0.00 0.00 0.00 0.00 58.73 59.17 1c89 h TYR 63 Cb 0.58 -0.30 0.00 0.00 0.00 0.00 0.00 36.73 37.00 1c89 h TYR 63 CO 1.27 0.34 0.00 -0.85 -0.00 0.00 0.00 178.16 178.92 1c89 n GLU 64 N -4.61 0.00 -0.89 0.10 0.28 -1.26 -4.62 120.64 109.64 1c89 n GLU 64 Ca 0.19 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 57.00 1c89 n GLU 64 Cb 0.45 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.24 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1c89 n ASP 65 N 0.00 5.34 -1.32 -1.84 8.00 -1.26 -4.30 116.55 121.16 1c89 n ASP 65 Ca 0.00 -2.34 -0.08 0.00 0.71 0.00 0.00 54.79 53.08 1c89 n ASP 65 Cb 0.00 -1.20 0.19 0.00 -0.02 0.00 0.00 41.12 40.09 1c89 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c89 n GLY 66 N 3.11 4.93 3.63 0.44 0.00 -1.26 -4.98 105.19 111.06 1c89 n GLY 66 Ca 0.46 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 1c89 n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c89 s THR 67 N -3.32 4.87 0.00 2.61 2.01 -1.26 -5.04 115.64 115.51 1c89 s THR 67 Ca 0.46 1.32 0.00 0.00 0.31 0.00 0.00 61.69 63.78 1c89 s THR 67 Cb 0.42 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1c89 s THR 67 CO 0.01 -0.10 0.00 0.35 -0.69 0.00 0.00 174.62 174.19 1c89 n THR 68 N 5.32 0.00 -1.85 -0.82 -2.24 -1.26 -4.77 114.28 108.66 1c89 n THR 68 Ca 0.03 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 1c89 n THR 68 Cb 0.48 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 1c89 n THR 68 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1c89 s SER 69 N -1.45 6.32 0.00 3.42 0.01 -1.26 -4.94 113.70 115.80 1c89 s SER 69 Ca 0.00 2.18 0.00 0.00 1.31 0.00 0.00 55.95 59.44 1c89 s SER 69 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1c89 s SER 69 CO 0.00 -1.23 0.00 -0.81 0.41 0.00 0.00 173.24 171.61 1c89 n PRO 70 N 7.68 0.00 0.00 12.44 -0.04 -1.26 -4.74 135.00 149.08 1c89 n PRO 70 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1c89 n PRO 70 Cb 0.43 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.73 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 1.93 0.29 2.35 0.55 0.00 -1.26 -4.09 105.19 104.96 1c89 n GLY 71 Ca 0.00 0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 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 6.51 -4.62 0.99 4.77 -1.26 -4.93 117.00 118.45 1c89 n LEU 72 Ca 0.00 -3.97 -0.43 0.00 -0.03 0.00 0.00 56.01 51.58 1c89 n LEU 72 Cb 0.00 -1.32 -0.02 0.00 -2.33 0.00 0.00 43.42 39.75 1c89 n LEU 72 CO 0.00 1.79 1.33 -0.54 -1.33 0.00 0.00 177.39 178.64 1c89 s LYS 73 N -0.69 3.72 0.45 3.23 1.02 -1.26 -4.31 119.74 121.90 1c89 s LYS 73 Ca 0.61 1.45 0.07 0.00 0.02 0.00 0.00 55.97 58.12 1c89 s LYS 73 Cb 0.33 -4.03 0.02 0.00 -0.52 0.00 0.00 37.83 33.63 1c89 s LYS 73 CO -0.14 -1.37 0.61 0.45 -0.92 0.00 0.00 175.35 173.98 1c89 s SER 74 N 4.16 5.57 -0.17 2.83 0.15 0.33 -4.31 113.70 122.27 1c89 s SER 74 Ca 0.68 -0.41 -0.25 0.00 0.70 0.00 0.00 55.95 56.67 1c89 s SER 74 Cb -0.21 -0.61 -0.02 0.00 -1.71 0.00 0.00 66.02 63.47 1c89 s SER 74 CO 0.29 -0.85 0.81 -0.69 1.20 0.00 0.00 173.24 174.00 1c89 s VAL 75 N -2.42 4.90 0.01 4.45 1.01 -0.81 0.24 120.40 127.78 1c89 s VAL 75 Ca 0.56 1.59 0.08 0.00 0.00 0.00 0.00 61.98 64.20 1c89 s VAL 75 Cb -0.10 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1c89 s VAL 75 CO 0.34 0.04 -0.23 -0.69 0.00 0.00 0.00 175.10 174.57 1c89 s VAL 76 N 2.07 2.40 -0.65 2.92 1.01 0.20 -1.09 120.40 127.27 1c89 s VAL 76 Ca 0.37 -1.17 -0.27 0.00 0.00 0.00 0.00 61.98 60.92 1c89 s VAL 76 Cb -0.17 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.29 1c89 s VAL 76 CO 0.12 0.45 1.54 0.00 0.00 0.00 0.00 175.10 177.22 1c89 s ALA 77 N -0.77 2.53 0.26 5.51 0.00 0.26 -0.45 121.76 129.10 1c89 s ALA 77 Ca 0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 1c89 s ALA 77 Cb -0.10 -4.24 0.38 0.00 0.00 0.00 0.00 23.12 19.16 1c89 s ALA 77 CO 0.02 -3.45 1.86 -0.97 0.00 0.00 0.00 175.76 173.22 1c89 h ASN 78 N 12.22 0.94 -1.52 0.00 -0.00 -1.56 -0.97 115.58 124.68 1c89 h ASN 78 Ca -0.27 0.02 -0.53 0.00 -0.00 0.00 0.00 56.30 55.52 1c89 h ASN 78 Cb 1.10 -0.18 -0.06 0.00 -0.00 0.00 0.00 38.32 39.19 1c89 h ASN 78 CO 1.23 0.59 -0.43 -1.10 -0.00 0.00 0.00 177.43 177.72 1c89 s GLN 79 N -6.04 2.38 -0.03 6.67 1.11 -1.26 -1.85 119.66 120.64 1c89 s GLN 79 Ca -0.12 -1.70 -0.14 0.00 0.01 0.00 0.00 55.36 53.41 1c89 s GLN 79 Cb 0.19 -2.18 -0.05 0.00 -1.01 0.00 0.00 33.01 29.96 1c89 s GLN 79 CO 0.80 -0.17 0.38 -1.17 0.01 0.00 0.00 175.29 175.14 1c89 s LEU 80 N -4.03 4.45 -0.06 2.90 0.20 -1.20 -4.23 118.68 116.71 1c89 s LEU 80 Ca 0.44 0.88 0.06 0.00 0.69 0.00 0.00 54.13 56.20 1c89 s LEU 80 Cb 0.00 -2.53 -0.01 0.00 -0.43 0.00 0.00 46.19 43.23 1c89 s LEU 80 CO 0.25 0.31 -0.23 0.27 -0.29 0.00 0.00 176.35 176.65 1c89 s ILE 81 N -0.91 1.94 -1.20 6.68 -4.36 -0.88 -4.93 121.20 117.54 1c89 s ILE 81 Ca 0.23 -1.00 -0.07 0.00 -0.26 0.00 0.00 60.65 59.54 1c89 s ILE 81 Cb -0.16 -1.65 -0.07 0.00 1.25 0.00 0.00 42.46 41.83 1c89 s ILE 81 CO 0.12 0.54 2.51 -0.81 0.24 0.00 0.00 174.94 177.54 1c89 n PRO 82 N 3.03 2.77 -1.44 0.37 -0.04 -1.26 -2.64 135.00 135.79 1c89 n PRO 82 Ca -0.18 -1.76 0.10 0.00 -0.04 0.00 0.00 63.50 61.63 1c89 n PRO 82 Cb 0.52 -2.58 -0.06 0.00 -0.04 0.00 0.00 33.50 31.34 1c89 n PRO 82 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1c89 n ILE 83 N 3.87 -1.52 -3.50 0.52 -0.00 -1.25 -4.83 119.36 112.66 1c89 n ILE 83 Ca 0.59 1.05 -0.38 0.00 -0.00 0.00 0.00 62.75 64.01 1c89 n ILE 83 Cb 0.19 -1.65 0.04 0.00 -0.00 0.00 0.00 39.64 38.22 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 -3.67 -5.55 -3.44 4.38 2.85 0.26 -4.92 115.26 105.16 1c89 n ASN 84 Ca -0.06 -0.17 -0.24 0.00 -0.11 0.00 0.00 54.58 54.01 1c89 n ASN 84 Cb 0.57 -1.77 -0.11 0.00 1.24 0.00 0.00 39.78 39.71 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 -1.56 -0.13 -0.83 -0.44 2.01 -1.26 -4.82 115.64 108.62 1c89 s THR 85 Ca 0.37 -1.13 -0.19 0.00 0.31 0.00 0.00 61.69 61.05 1c89 s THR 85 Cb -0.04 -0.94 -0.20 0.00 0.01 0.00 0.00 72.50 71.33 1c89 s THR 85 CO 0.88 -0.74 2.19 0.00 -0.69 0.00 0.00 174.62 176.26 1c89 n ALA 86 N 4.52 0.56 -2.43 7.40 0.00 -1.25 -4.22 120.51 125.09 1c89 n ALA 86 Ca 0.06 -1.31 -0.33 0.00 0.00 0.00 0.00 53.44 51.86 1c89 n ALA 86 Cb 0.42 -2.83 -0.05 0.00 0.00 0.00 0.00 19.45 16.99 1c89 n ALA 86 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1c89 s LEU 87 N 9.79 4.26 0.00 0.00 2.34 -1.08 -4.66 118.68 129.34 1c89 s LEU 87 Ca 0.96 0.93 0.00 0.00 0.06 0.00 0.00 54.13 56.08 1c89 s LEU 87 Cb -0.32 -3.42 -0.00 0.00 -0.56 0.00 0.00 46.19 41.89 1c89 s LEU 87 CO 0.23 0.03 0.00 0.35 -1.06 0.00 0.00 176.35 175.90 1c89 n THR 88 N 0.34 0.00 -0.29 5.48 -2.24 -1.26 0.24 114.28 116.54 1c89 n THR 88 Ca -0.03 -0.09 0.34 0.00 -2.27 0.00 0.00 64.05 62.00 1c89 n THR 88 Cb 0.52 0.02 0.73 0.00 -2.10 0.00 0.00 70.33 69.51 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 -0.12 3.22 -0.00 -1.93 0.23 115.31 116.71 1c89 h LEU 89 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 1c89 h LEU 89 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 1c89 h LEU 89 CO 0.03 0.00 0.05 0.58 -0.00 0.00 0.00 178.44 179.10 1c89 h VAL 90 N 0.00 1.14 0.00 0.15 2.07 -2.02 -2.84 116.25 114.76 1c89 h VAL 90 Ca 0.54 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1c89 h VAL 90 Cb 2.28 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1c89 h VAL 90 CO -0.01 0.13 -0.34 0.24 0.02 0.00 0.00 177.57 177.61 1c89 h MET 91 N 0.04 0.00 -5.01 1.57 2.86 -1.10 -3.44 114.93 109.85 1c89 h MET 91 Ca 0.04 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.05 1c89 h MET 91 Cb 0.16 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 31.65 1c89 h MET 91 CO -0.00 0.00 -0.53 -1.64 1.06 0.00 0.00 176.91 175.80 1c89 s MET 92 N -3.15 3.97 -0.21 1.72 1.00 0.52 -1.72 119.30 121.43 1c89 s MET 92 Ca 0.08 -0.32 -0.00 0.00 0.00 0.00 0.00 55.69 55.45 1c89 s MET 92 Cb 0.12 -3.54 0.02 0.00 0.00 0.00 0.00 34.83 31.44 1c89 s MET 92 CO 0.67 -0.05 -0.13 0.15 0.00 0.00 0.00 175.02 175.66 1c89 s LYS 93 N 1.35 2.90 -0.78 2.03 1.02 0.40 -4.66 119.74 122.00 1c89 s LYS 93 Ca 0.07 -0.91 -0.25 0.00 0.02 0.00 0.00 55.97 54.89 1c89 s LYS 93 Cb -0.15 -2.78 -0.02 0.00 -0.52 0.00 0.00 37.83 34.37 1c89 s LYS 93 CO 0.07 -0.31 1.80 0.00 -0.92 0.00 0.00 175.35 175.99 1c89 s ALA 94 N 1.30 2.07 0.04 5.17 0.00 -1.25 0.63 121.76 129.72 1c89 s ALA 94 Ca 0.02 -1.22 0.08 0.00 0.00 0.00 0.00 51.96 50.84 1c89 s ALA 94 Cb -0.15 -4.42 -0.03 0.00 0.00 0.00 0.00 23.12 18.52 1c89 s ALA 94 CO -0.08 -4.18 -0.22 -1.21 0.00 0.00 0.00 175.76 170.06 1c89 s GLU 95 N 6.71 1.49 -0.69 0.00 0.41 0.66 -4.66 118.70 122.62 1c89 s GLU 95 Ca 0.63 -0.97 -0.26 0.00 -0.41 0.00 0.00 54.97 53.96 1c89 s GLU 95 Cb -0.09 -1.62 -0.01 0.00 -1.78 0.00 0.00 34.13 30.63 1c89 s GLU 95 CO 0.09 0.42 1.76 -2.00 -0.49 0.00 0.00 175.26 175.03 1c89 s GLU 96 N -1.17 2.75 0.11 1.61 -6.30 -1.26 -0.51 118.70 113.93 1c89 s GLU 96 Ca 0.08 0.27 0.05 0.00 -2.50 0.00 0.00 54.97 52.88 1c89 s GLU 96 Cb -0.09 -4.48 -0.04 0.00 0.00 0.00 0.00 34.13 29.52 1c89 s GLU 96 CO 0.02 -2.70 -0.13 0.08 0.02 0.00 0.00 175.26 172.55 1c89 s VAL 97 N 8.49 1.19 -0.04 3.70 1.01 -1.26 -4.91 120.40 128.58 1c89 s VAL 97 Ca 0.61 -1.69 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1c89 s VAL 97 Cb -0.11 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1c89 s VAL 97 CO 0.16 -0.47 -0.04 -0.94 0.00 0.00 0.00 175.10 173.81 1c89 s SER 98 N -2.45 4.89 1.11 3.32 1.04 -1.26 -3.65 113.70 116.69 1c89 s SER 98 Ca 0.08 -0.01 -0.16 0.00 0.48 0.00 0.00 55.95 56.34 1c89 s SER 98 Cb -0.04 -1.25 0.22 0.00 0.10 0.00 0.00 66.02 65.05 1c89 s SER 98 CO 0.02 0.33 1.01 -0.81 0.98 0.00 0.00 173.24 174.76 1c89 n PRO 99 N 1.84 -1.96 -2.73 4.02 -0.04 -1.26 -4.99 135.00 129.88 1c89 n PRO 99 Ca -0.17 -1.58 -0.42 0.00 -0.04 0.00 0.00 63.50 61.29 1c89 n PRO 99 Cb 0.53 -1.26 -0.03 0.00 -0.04 0.00 0.00 33.50 32.70 1c89 n PRO 99 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1c89 s LYS 100 N -5.24 3.35 0.00 0.54 -2.85 -1.24 -4.98 119.74 109.32 1c89 s LYS 100 Ca 0.61 -0.16 0.00 0.00 -1.00 0.00 0.00 55.97 55.42 1c89 s LYS 100 Cb -0.04 -4.07 0.00 0.00 -2.06 0.00 0.00 37.83 31.66 1c89 s LYS 100 CO 0.45 -1.66 0.00 0.41 0.10 0.00 0.00 175.35 174.65 1c89 n GLY 101 N 5.15 -1.08 3.51 0.59 0.00 -1.26 -4.91 105.19 107.19 1c89 n GLY 101 Ca 0.03 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 3.98 0.78 -0.61 -1.09 -0.56 -4.92 121.20 118.79 1c89 s ILE 102 Ca 0.00 -0.32 -0.11 0.00 -2.23 0.00 0.00 60.65 57.99 1c89 s ILE 102 Cb 0.00 -2.75 0.06 0.00 -1.58 0.00 0.00 42.46 38.19 1c89 s ILE 102 CO 0.00 0.49 1.09 -2.16 -1.23 0.00 0.00 174.94 173.13 1c89 s PRO 103 N 0.37 2.22 0.00 2.79 0.04 -1.26 -1.93 135.00 137.23 1c89 s PRO 103 Ca -0.03 1.09 -0.04 0.00 0.04 0.00 0.00 61.00 62.05 1c89 s PRO 103 Cb -0.14 -1.90 -0.19 0.00 0.04 0.00 0.00 34.50 32.31 1c89 s PRO 103 CO 0.03 -1.65 3.09 -1.13 0.04 0.00 0.00 177.00 177.38 1c89 n SER 104 N -3.52 4.98 -0.08 6.66 3.41 -1.26 -4.25 113.62 119.56 1c89 n SER 104 Ca 0.09 -2.40 -0.21 0.00 -0.26 0.00 0.00 58.87 56.08 1c89 n SER 104 Cb 0.53 -1.28 -0.12 0.00 -0.26 0.00 0.00 64.21 63.09 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 2.69 0.04 -0.22 4.33 5.08 -1.97 -3.40 114.58 121.14 1c89 h GLU 105 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1c89 h GLU 105 Cb 1.32 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1c89 h GLU 105 CO 0.19 1.03 0.00 0.39 -1.00 0.00 0.00 179.01 179.62 1c89 n GLU 106 N -4.36 2.83 -0.20 2.33 -0.58 -1.26 -4.72 120.64 114.69 1c89 n GLU 106 Ca -0.28 -2.00 -0.02 0.00 -0.42 0.00 0.00 57.16 54.43 1c89 n GLU 106 Cb 0.70 -1.26 0.04 0.00 -0.57 0.00 0.00 31.44 30.35 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 1.29 0.31 -0.95 -3.67 1.08 -1.79 0.74 117.51 114.53 1c89 h ILE 107 Ca 0.00 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.74 1c89 h ILE 107 Cb 0.75 0.31 -0.04 0.00 -3.07 0.00 0.00 36.82 34.78 1c89 h ILE 107 CO 0.02 0.00 0.96 -1.28 -0.69 0.00 0.00 178.15 177.17 1c89 h SER 108 N -0.06 0.00 0.53 1.72 0.87 -1.89 1.54 113.55 116.26 1c89 h SER 108 Ca 0.28 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.66 1c89 h SER 108 Cb 0.49 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 1c89 h SER 108 CO -0.65 0.00 -1.61 0.29 -0.53 0.00 0.00 176.83 174.33 1c89 n LYS 109 N -3.55 0.63 0.00 2.24 5.02 0.25 -4.09 118.16 118.66 1c89 n LYS 109 Ca 0.21 0.14 0.10 0.00 -2.02 0.00 0.00 58.31 56.74 1c89 n LYS 109 Cb 1.27 -1.74 0.06 0.00 -0.02 0.00 0.00 35.03 34.60 1c89 n LYS 109 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1c89 n LEU 110 N -2.80 2.52 -4.76 -0.35 4.77 0.40 -4.93 117.00 111.85 1c89 n LEU 110 Ca -0.12 -0.93 -0.41 0.00 -0.03 0.00 0.00 56.01 54.52 1c89 n LEU 110 Cb 0.85 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.93 1c89 n LEU 110 CO 0.43 0.44 1.06 -0.69 -1.33 0.00 0.00 177.39 177.30 1c89 s VAL 111 N -1.92 2.57 0.00 4.08 1.01 0.43 -1.94 120.40 124.62 1c89 s VAL 111 Ca 0.23 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.73 1c89 s VAL 111 Cb 0.17 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1c89 s VAL 111 CO 0.34 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1c89 n GLY 112 N 1.29 0.67 3.79 4.51 0.00 0.66 -4.88 105.19 111.22 1c89 n GLY 112 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.03 4.48 -0.04 1.61 1.00 -0.82 -4.30 119.30 121.19 1c89 s MET 113 Ca 0.00 1.32 -0.21 0.00 0.00 0.00 0.00 55.69 56.80 1c89 s MET 113 Cb 0.00 -2.68 -0.05 0.00 0.00 0.00 0.00 34.83 32.11 1c89 s MET 113 CO 0.00 0.18 0.61 -0.65 0.00 0.00 0.00 175.02 175.16 1c89 s GLN 114 N -2.27 4.36 0.46 2.03 -0.21 -1.26 -2.62 119.66 120.15 1c89 s GLN 114 Ca 0.53 0.73 -0.12 0.00 0.02 0.00 0.00 55.36 56.52 1c89 s GLN 114 Cb -0.18 -3.39 -0.07 0.00 1.00 0.00 0.00 33.01 30.38 1c89 s GLN 114 CO 0.23 0.23 0.86 0.54 -2.12 0.00 0.00 175.29 175.03 1c89 s VAL 115 N 0.28 4.71 -2.77 1.09 0.11 -1.26 -4.77 120.40 117.79 1c89 s VAL 115 Ca 0.32 0.81 0.23 0.00 -2.93 0.00 0.00 61.98 60.41 1c89 s VAL 115 Cb -0.17 -3.75 0.15 0.00 -1.53 0.00 0.00 36.38 31.08 1c89 s VAL 115 CO 0.16 -0.64 1.22 -3.20 -3.33 0.00 0.00 175.10 169.31 1c89 n ASN 116 N -1.55 2.78 -4.48 3.54 5.15 -1.26 -0.58 115.26 118.86 1c89 n ASN 116 Ca 0.04 -1.89 -0.27 0.00 -0.60 0.00 0.00 54.58 51.86 1c89 n ASN 116 Cb 0.54 0.10 -0.09 0.00 -0.53 0.00 0.00 39.78 39.80 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1c89 s ARG 117 N -2.08 1.94 -0.09 1.20 1.81 -1.24 -4.72 118.95 115.77 1c89 s ARG 117 Ca 0.26 -2.17 -0.15 0.00 -1.72 0.00 0.00 55.73 51.96 1c89 s ARG 117 Cb 0.19 -1.14 -0.05 0.00 -0.45 0.00 0.00 34.95 33.50 1c89 s ARG 117 CO 0.35 -0.29 0.37 0.00 -0.68 0.00 0.00 175.30 175.05 1c89 s ALA 118 N -3.04 3.63 0.24 2.13 0.00 -1.26 -3.83 121.76 119.63 1c89 s ALA 118 Ca 0.24 -0.32 0.11 0.00 0.00 0.00 0.00 51.96 51.99 1c89 s ALA 118 Cb 0.05 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.71 1c89 s ALA 118 CO 0.12 0.26 -0.17 0.08 0.00 0.00 0.00 175.76 176.04 1c89 s VAL 119 N -0.18 2.65 0.00 0.00 1.01 -1.08 -4.90 120.40 117.89 1c89 s VAL 119 Ca 0.21 -2.15 0.00 0.00 0.00 0.00 0.00 61.98 60.04 1c89 s VAL 119 Cb -0.15 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1c89 s VAL 119 CO 0.09 -0.28 0.00 -1.22 0.00 0.00 0.00 175.10 173.68 1c89 n TYR 120 N -0.33 -0.07 0.00 5.22 4.01 -1.26 -2.07 117.16 122.66 1c89 n TYR 120 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1c89 n TYR 120 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 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 -4.29 7.72 7.99 -1.26 -3.25 117.00 123.91 1c89 n LEU 121 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.90 1c89 n LEU 121 Cb 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.22 1c89 n LEU 121 CO 0.00 -0.13 1.36 0.47 -1.51 0.00 0.00 177.39 177.58 1c89 n ASP 122 N 0.00 -0.97 -4.43 -1.43 8.00 -0.45 -4.51 116.55 112.76 1c89 n ASP 122 Ca 0.00 -1.31 -0.28 0.00 0.71 0.00 0.00 54.79 53.90 1c89 n ASP 122 Cb 0.00 -0.85 -0.12 0.00 -0.02 0.00 0.00 41.12 40.13 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1c89 s GLN 123 N 6.53 1.55 0.09 -1.24 0.74 -0.75 -3.64 119.66 122.95 1c89 s GLN 123 Ca 0.62 -1.35 -0.31 0.00 0.05 0.00 0.00 55.36 54.37 1c89 s GLN 123 Cb -0.28 -1.95 -0.07 0.00 1.10 0.00 0.00 33.01 31.82 1c89 s GLN 123 CO 0.21 0.44 1.24 0.99 -0.55 0.00 0.00 175.29 177.62 1c89 s THR 124 N -1.27 3.80 -0.11 -0.34 2.01 -1.26 0.91 115.64 119.38 1c89 s THR 124 Ca 0.17 1.32 -0.28 0.00 0.31 0.00 0.00 61.69 63.21 1c89 s THR 124 Cb -0.10 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 1c89 s THR 124 CO 0.08 0.12 0.94 -1.48 -0.69 0.00 0.00 174.62 173.60 1c89 s LEU 125 N 0.84 4.24 0.28 4.42 0.05 -0.25 -4.84 118.68 123.43 1c89 s LEU 125 Ca 0.59 1.44 0.07 0.00 0.05 0.00 0.00 54.13 56.27 1c89 s LEU 125 Cb -0.32 -3.45 -0.06 0.00 -2.05 0.00 0.00 46.19 40.32 1c89 s LEU 125 CO 0.31 -0.40 -0.06 -0.04 -0.55 0.00 0.00 176.35 175.61 1c89 s MET 126 N 1.88 1.57 0.19 1.48 -1.94 -1.26 -1.49 119.30 119.72 1c89 s MET 126 Ca 0.46 -1.80 0.25 0.00 -1.71 0.00 0.00 55.69 52.89 1c89 s MET 126 Cb -0.18 -1.17 0.89 0.00 2.01 0.00 0.00 34.83 36.38 1c89 s MET 126 CO 0.17 0.04 1.77 -0.35 -0.01 0.00 0.00 175.02 176.64 1c89 n PRO 127 N -0.60 0.21 0.08 2.03 -0.04 -1.26 -3.30 135.00 132.12 1c89 n PRO 127 Ca -0.05 0.24 -0.06 0.00 -0.04 0.00 0.00 63.50 63.58 1c89 n PRO 127 Cb 0.63 -1.77 0.08 0.00 -0.04 0.00 0.00 33.50 32.40 1c89 n PRO 127 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1c89 h ASP 128 N 0.00 0.30 0.01 3.54 3.04 -1.96 -3.31 116.42 118.05 1c89 h ASP 128 Ca 0.00 -0.19 -0.04 0.00 -3.24 0.00 0.00 57.03 53.56 1c89 h ASP 128 Cb 0.61 -0.09 -0.00 0.00 -1.04 0.00 0.00 39.33 38.80 1c89 h ASP 128 CO 0.00 0.88 -0.21 -0.03 -2.04 0.00 0.00 179.24 177.85 1c89 h MET 129 N 0.18 0.03 0.00 4.15 4.05 -1.98 -3.47 114.93 117.89 1c89 h MET 129 Ca -0.02 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.30 1c89 h MET 129 Cb 1.21 0.02 0.03 0.00 -0.80 0.00 0.00 31.60 32.05 1c89 h MET 129 CO 0.11 1.02 0.05 1.33 0.23 0.00 0.00 176.91 179.64 1c89 n VAL 130 N -4.55 0.00 0.00 -5.77 0.24 -1.22 -3.67 118.33 103.37 1c89 n VAL 130 Ca -0.13 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1c89 n VAL 130 Cb 0.53 -1.54 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 1c89 n VAL 130 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1c89 n LYS 131 N -1.70 3.56 -3.40 7.34 4.76 -1.26 -4.85 118.16 122.60 1c89 n LYS 131 Ca 0.03 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.05 1c89 n LYS 131 Cb 0.09 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.19 1c89 n LYS 131 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1c89 s ASN 132 N -1.21 6.15 0.93 4.39 0.01 -1.26 -4.78 114.94 119.18 1c89 s ASN 132 Ca 0.00 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 1c89 s ASN 132 Cb 0.00 -2.19 0.00 0.00 0.41 0.00 0.00 41.25 39.47 1c89 s ASN 132 CO 0.00 -0.43 0.00 -1.22 -1.51 0.00 0.00 177.10 173.94 1c89 n TYR 133 N 5.37 -2.88 1.43 2.20 4.01 -1.26 -5.21 117.16 120.82 1c89 n TYR 133 Ca -0.09 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.78 1c89 n TYR 133 Cb 0.48 0.00 0.47 0.00 -0.31 0.00 0.00 39.34 39.98 1c89 n TYR 133 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79