#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 -0.24 0.26 1.20 0.00 -1.26 -4.93 119.74 114.77 1c89 s LYS 2 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 55.97 55.56 1c89 s LYS 2 Cb 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 37.83 36.02 1c89 s LYS 2 CO 0.00 -3.05 1.26 0.00 0.00 0.00 0.00 175.35 173.57 1c89 s ALA 3 N -3.34 3.49 0.12 0.59 0.00 -1.26 -4.63 121.76 116.73 1c89 s ALA 3 Ca 0.71 1.11 0.07 0.00 0.00 0.00 0.00 51.96 53.85 1c89 s ALA 3 Cb -0.09 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1c89 s ALA 3 CO 0.55 -0.49 -0.06 -1.12 0.00 0.00 0.00 175.76 174.63 1c89 s SER 4 N -0.17 4.59 -0.84 0.00 0.01 0.47 -3.99 113.70 113.77 1c89 s SER 4 Ca 0.52 -0.36 -0.25 0.00 1.31 0.00 0.00 55.95 57.17 1c89 s SER 4 Cb -0.37 -0.94 -0.02 0.00 0.21 0.00 0.00 66.02 64.90 1c89 s SER 4 CO 0.43 0.16 1.83 -0.69 0.41 0.00 0.00 173.24 175.38 1c89 s VAL 5 N -1.36 3.50 -0.28 3.43 1.01 0.21 -2.59 120.40 124.32 1c89 s VAL 5 Ca 0.24 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 1c89 s VAL 5 Cb -0.11 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.12 1c89 s VAL 5 CO 0.16 -1.11 0.02 -0.69 0.00 0.00 0.00 175.10 173.47 1c89 s VAL 6 N 8.96 3.44 0.06 2.92 1.01 -0.96 -1.50 120.40 134.33 1c89 s VAL 6 Ca 0.64 -0.88 -0.34 0.00 0.00 0.00 0.00 61.98 61.40 1c89 s VAL 6 Cb -0.07 -2.78 -0.14 0.00 0.00 0.00 0.00 36.38 33.39 1c89 s VAL 6 CO 0.04 0.12 1.66 0.00 0.00 0.00 0.00 175.10 176.92 1c89 n ALA 7 N 4.77 0.96 0.10 5.51 0.00 0.54 -3.20 120.51 129.19 1c89 n ALA 7 Ca -0.15 0.40 -0.24 0.00 0.00 0.00 0.00 53.44 53.45 1c89 n ALA 7 Cb 0.47 -2.37 -0.15 0.00 0.00 0.00 0.00 19.45 17.40 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 6.86 0.71 -2.10 0.00 -0.00 -1.85 0.80 115.58 120.01 1c89 h ASN 8 Ca -0.46 -0.93 -0.47 0.00 -0.00 0.00 0.00 56.30 54.44 1c89 h ASN 8 Cb 1.27 -0.23 0.08 0.00 -0.00 0.00 0.00 38.32 39.44 1c89 h ASN 8 CO 0.90 1.73 0.10 0.00 -0.00 0.00 0.00 177.43 180.17 1c89 s GLN 9 N -2.58 1.67 -0.04 6.67 -2.07 -1.26 -1.95 119.66 120.10 1c89 s GLN 9 Ca -0.13 -1.14 -0.20 0.00 -1.82 0.00 0.00 55.36 52.07 1c89 s GLN 9 Cb 0.04 -2.34 -0.05 0.00 -1.09 0.00 0.00 33.01 29.58 1c89 s GLN 9 CO 0.89 -1.45 0.55 -1.17 -1.32 0.00 0.00 175.29 172.79 1c89 s LEU 10 N -5.14 4.38 -0.09 2.60 0.20 -1.26 -4.12 118.68 115.25 1c89 s LEU 10 Ca 0.66 1.05 0.01 0.00 0.69 0.00 0.00 54.13 56.55 1c89 s LEU 10 Cb -0.05 -2.84 -0.02 0.00 -0.43 0.00 0.00 46.19 42.84 1c89 s LEU 10 CO 0.44 0.08 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.85 1c89 s ILE 11 N 0.01 3.35 0.00 6.68 -1.09 0.10 -4.96 121.20 125.29 1c89 s ILE 11 Ca 0.29 -0.59 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 1c89 s ILE 11 Cb -0.17 -2.37 0.00 0.00 -1.58 0.00 0.00 42.46 38.34 1c89 s ILE 11 CO 0.15 0.57 0.00 -0.81 -1.23 0.00 0.00 174.94 173.62 1c89 n PRO 12 N 2.72 0.86 -2.99 2.79 -0.04 -1.26 0.13 135.00 137.20 1c89 n PRO 12 Ca -0.18 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.02 1c89 n PRO 12 Cb 0.53 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 -0.09 4.98 -0.53 0.52 1.09 -1.26 -4.16 121.20 121.74 1c89 s ILE 13 Ca 0.00 0.01 -0.17 0.00 -1.10 0.00 0.00 60.65 59.40 1c89 s ILE 13 Cb 0.00 -3.83 0.03 0.00 -1.06 0.00 0.00 42.46 37.59 1c89 s ILE 13 CO 0.00 -0.65 0.53 -0.46 -0.10 0.00 0.00 174.94 174.26 1c89 n ASN 14 N -1.82 -4.24 -3.66 3.58 0.23 0.12 -4.86 115.26 104.62 1c89 n ASN 14 Ca -0.01 -0.48 -0.19 0.00 -0.53 0.00 0.00 54.58 53.37 1c89 n ASN 14 Cb 0.55 -1.32 -0.17 0.00 -2.08 0.00 0.00 39.78 36.77 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 -2.00 -0.17 -0.77 5.53 2.01 -1.26 -4.81 115.64 114.16 1c89 s THR 15 Ca 0.16 0.32 -0.26 0.00 0.31 0.00 0.00 61.69 62.23 1c89 s THR 15 Cb -0.02 -0.27 -0.08 0.00 0.01 0.00 0.00 72.50 72.14 1c89 s THR 15 CO 0.74 0.11 2.18 0.00 -0.69 0.00 0.00 174.62 176.95 1c89 s ALA 16 N 2.22 1.33 0.68 7.40 0.00 -1.26 -3.79 121.76 128.34 1c89 s ALA 16 Ca 0.04 -0.93 -0.18 0.00 0.00 0.00 0.00 51.96 50.90 1c89 s ALA 16 Cb -0.13 -4.51 -0.15 0.00 0.00 0.00 0.00 23.12 18.34 1c89 s ALA 16 CO -0.05 -5.11 -0.34 1.28 0.00 0.00 0.00 175.76 171.54 1c89 n LEU 17 N 15.97 -4.36 0.00 0.00 4.77 -1.07 -3.91 117.00 128.40 1c89 n LEU 17 Ca 0.40 0.49 -0.13 0.00 -0.03 0.00 0.00 56.01 56.74 1c89 n LEU 17 Cb 0.47 -0.83 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1c89 n LEU 17 CO 0.60 -5.18 -0.09 0.35 -1.33 0.00 0.00 177.39 171.75 1c89 n THR 18 N -1.87 0.00 -0.17 -5.08 -2.24 -1.26 0.26 114.28 103.91 1c89 n THR 18 Ca 0.05 -0.95 -0.09 0.00 -2.27 0.00 0.00 64.05 60.79 1c89 n THR 18 Cb 0.50 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.95 3.22 -0.00 -1.94 -2.87 115.31 113.53 1c89 h LEU 19 Ca -0.17 -0.25 -0.06 0.00 -0.00 0.00 0.00 57.88 57.41 1c89 h LEU 19 Cb 0.51 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.94 1c89 h LEU 19 CO 0.27 0.81 0.10 0.40 -0.00 0.00 0.00 178.44 180.02 1c89 h ILE 20 N 0.67 1.24 0.00 1.22 5.03 -2.02 -1.59 117.51 122.05 1c89 h ILE 20 Ca 0.15 -0.89 0.00 0.00 -0.12 0.00 0.00 64.86 64.00 1c89 h ILE 20 Cb 0.36 0.71 0.00 0.00 -3.03 0.00 0.00 36.82 34.86 1c89 h ILE 20 CO 0.01 0.33 0.00 0.23 -0.68 0.00 0.00 178.15 178.03 1c89 n MET 21 N -4.25 0.78 -3.87 2.37 2.81 -1.11 -4.52 117.12 109.33 1c89 n MET 21 Ca 0.04 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.58 1c89 n MET 21 Cb 0.25 -1.48 -0.13 0.00 -0.71 0.00 0.00 33.22 31.16 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 2.26 -0.24 0.03 0.00 -0.60 -3.74 119.30 115.01 1c89 s MET 22 Ca 0.36 -1.46 -0.04 0.00 0.00 0.00 0.00 55.69 54.54 1c89 s MET 22 Cb 0.16 -3.32 -0.00 0.00 0.00 0.00 0.00 34.83 31.68 1c89 s MET 22 CO 0.28 -0.78 -0.01 0.15 0.00 0.00 0.00 175.02 174.66 1c89 s LYS 23 N 1.21 3.25 -1.20 4.11 1.02 -1.19 -4.94 119.74 121.99 1c89 s LYS 23 Ca -0.00 -0.72 -0.19 0.00 0.02 0.00 0.00 55.97 55.08 1c89 s LYS 23 Cb -0.21 -3.12 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 1c89 s LYS 23 CO -0.02 -0.29 1.95 0.00 -0.92 0.00 0.00 175.35 176.07 1c89 n ALA 24 N 4.80 3.59 -2.83 5.17 0.00 -1.26 -2.27 120.51 127.72 1c89 n ALA 24 Ca -0.17 -3.55 -0.32 0.00 0.00 0.00 0.00 53.44 49.40 1c89 n ALA 24 Cb 0.50 -3.57 -0.06 0.00 0.00 0.00 0.00 19.45 16.32 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 4.66 3.16 -0.74 0.00 2.12 -1.07 -4.66 118.70 122.18 1c89 s GLU 25 Ca 0.56 -0.49 -0.21 0.00 0.36 0.00 0.00 54.97 55.19 1c89 s GLU 25 Cb 0.08 -2.91 0.09 0.00 0.26 0.00 0.00 34.13 31.65 1c89 s GLU 25 CO 0.06 0.63 1.01 0.08 -0.54 0.00 0.00 175.26 176.50 1c89 s VAL 26 N -1.31 4.44 0.04 3.70 1.01 -1.26 -0.40 120.40 126.62 1c89 s VAL 26 Ca 0.27 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 1c89 s VAL 26 Cb -0.12 -4.71 0.01 0.00 0.00 0.00 0.00 36.38 31.55 1c89 s VAL 26 CO 0.19 -1.47 0.21 0.68 0.00 0.00 0.00 175.10 174.70 1c89 s VAL 27 N 3.67 0.10 0.20 2.92 -7.23 -1.26 -4.96 120.40 113.84 1c89 s VAL 27 Ca 0.25 -0.85 -0.05 0.00 -1.81 0.00 0.00 61.98 59.52 1c89 s VAL 27 Cb -0.14 -0.89 -0.05 0.00 0.56 0.00 0.00 36.38 35.85 1c89 s VAL 27 CO 0.04 -0.47 0.45 0.28 -0.31 0.00 0.00 175.10 175.09 1c89 s THR 28 N -2.51 5.11 0.56 5.32 -1.32 -1.26 -3.70 115.64 117.84 1c89 s THR 28 Ca -0.05 0.03 -0.16 0.00 -1.21 0.00 0.00 61.69 60.29 1c89 s THR 28 Cb -0.01 -3.67 -0.05 0.00 -1.51 0.00 0.00 72.50 67.26 1c89 s THR 28 CO -0.03 -0.10 1.04 -2.16 -2.21 0.00 0.00 174.62 171.15 1c89 s PRO 29 N -3.01 3.53 -1.20 7.08 0.04 -1.26 -5.02 135.00 135.16 1c89 s PRO 29 Ca 0.42 1.15 -0.22 0.00 0.04 0.00 0.00 61.00 62.40 1c89 s PRO 29 Cb -0.11 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 1c89 s PRO 29 CO 0.26 -0.64 1.90 0.00 0.04 0.00 0.00 177.00 178.56 1c89 s MET 30 N -4.00 2.75 0.00 4.56 0.23 -1.24 -4.92 119.30 116.69 1c89 s MET 30 Ca 0.63 -1.29 0.00 0.00 -1.03 0.00 0.00 55.69 54.00 1c89 s MET 30 Cb -0.14 -5.29 0.00 0.00 -1.53 0.00 0.00 34.83 27.87 1c89 s MET 30 CO 0.34 -3.67 0.00 0.41 -2.03 0.00 0.00 175.02 170.07 1c89 n GLY 31 N 5.77 -3.48 3.73 3.16 0.00 -1.26 -4.83 105.19 108.28 1c89 n GLY 31 Ca 0.45 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 3.91 0.87 -0.61 1.01 -0.94 -4.82 121.20 120.62 1c89 s ILE 32 Ca 0.00 1.61 -0.12 0.00 0.00 0.00 0.00 60.65 62.14 1c89 s ILE 32 Cb 0.00 -4.03 0.11 0.00 0.01 0.00 0.00 42.46 38.56 1c89 s ILE 32 CO 0.00 0.26 1.10 -2.16 0.00 0.00 0.00 174.94 174.14 1c89 s PRO 33 N -0.19 1.50 0.00 2.79 0.04 -1.26 0.67 135.00 138.55 1c89 s PRO 33 Ca 0.50 0.63 0.17 0.00 0.04 0.00 0.00 61.00 62.34 1c89 s PRO 33 Cb -0.29 -1.85 0.86 0.00 0.04 0.00 0.00 34.50 33.25 1c89 s PRO 33 CO 0.34 -2.03 1.57 0.00 0.04 0.00 0.00 177.00 176.93 1c89 n ALA 34 N -3.71 2.56 0.00 8.56 0.00 -1.26 -4.35 120.51 122.33 1c89 n ALA 34 Ca 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 53.44 53.25 1c89 n ALA 34 Cb 0.56 -1.19 -0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 0.79 -0.01 -2.71 0.00 5.08 -1.91 -2.32 114.58 113.50 1c89 h GLU 35 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 1c89 h GLU 35 Cb 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1c89 h GLU 35 CO 0.00 -0.00 2.67 0.39 -1.00 0.00 0.00 179.01 181.06 1c89 n GLU 36 N -2.55 3.39 0.16 2.33 4.71 -1.26 -4.58 120.64 122.84 1c89 n GLU 36 Ca -0.00 -2.08 0.01 0.00 -0.01 0.00 0.00 57.16 55.07 1c89 n GLU 36 Cb 0.00 -2.58 0.28 0.00 -1.01 0.00 0.00 31.44 28.13 1c89 n GLU 36 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 1c89 h ILE 37 N 2.70 1.34 0.00 -3.67 2.10 -1.70 -0.67 117.51 117.61 1c89 h ILE 37 Ca 0.69 -1.62 0.00 0.00 1.08 0.00 0.00 64.86 65.02 1c89 h ILE 37 Cb 0.57 1.87 0.00 0.00 -1.09 0.00 0.00 36.82 38.16 1c89 h ILE 37 CO 1.39 0.46 0.00 -0.81 -1.08 0.00 0.00 178.15 178.11 1c89 n PRO 38 N -3.98 0.04 -0.06 2.19 -0.04 -1.26 -1.92 135.00 129.97 1c89 n PRO 38 Ca -0.02 0.09 -0.03 0.00 -0.04 0.00 0.00 63.50 63.51 1c89 n PRO 38 Cb 0.49 -1.56 -0.13 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.63 1.05 0.10 3.54 3.02 -0.95 -4.52 115.26 115.86 1c89 n ASN 39 Ca 0.06 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.38 1c89 n ASN 39 Cb 0.32 1.18 -0.15 0.00 -0.61 0.00 0.00 39.78 40.51 1c89 n ASN 39 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1c89 h LEU 40 N 0.00 0.67 -9.35 3.41 -0.00 -1.11 -3.39 115.31 105.54 1c89 h LEU 40 Ca -0.30 -0.92 -0.58 0.00 -0.00 0.00 0.00 57.88 56.08 1c89 h LEU 40 Cb 1.61 -0.22 0.18 0.00 -0.00 0.00 0.00 40.66 42.24 1c89 h LEU 40 CO 0.02 1.67 -0.75 0.52 -0.00 0.00 0.00 178.44 179.90 1c89 n VAL 41 N -3.79 1.25 -0.90 1.22 0.31 -0.81 -1.16 118.33 114.45 1c89 n VAL 41 Ca -0.19 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 1c89 n VAL 41 Cb 1.02 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 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 2.11 0.38 3.66 2.92 0.00 0.72 -4.82 105.19 110.15 1c89 n GLY 42 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.73 4.18 -0.09 1.61 0.00 -0.31 -3.99 119.30 119.96 1c89 s MET 43 Ca 0.00 1.96 -0.29 0.00 0.00 0.00 0.00 55.69 57.36 1c89 s MET 43 Cb 0.00 -3.91 -0.02 0.00 0.00 0.00 0.00 34.83 30.91 1c89 s MET 43 CO 0.00 -0.82 0.97 -0.65 0.00 0.00 0.00 175.02 174.52 1c89 s GLN 44 N 3.88 4.43 0.51 3.16 -0.21 -1.25 -2.60 119.66 127.58 1c89 s GLN 44 Ca 0.66 1.33 -0.06 0.00 0.02 0.00 0.00 55.36 57.31 1c89 s GLN 44 Cb -0.28 -3.53 -0.04 0.00 1.00 0.00 0.00 33.01 30.16 1c89 s GLN 44 CO 0.24 -0.26 0.84 0.14 -2.12 0.00 0.00 175.29 174.13 1c89 s VAL 45 N 1.81 4.86 -2.21 1.09 -7.23 -1.25 -4.63 120.40 112.83 1c89 s VAL 45 Ca 0.47 0.33 0.24 0.00 -1.81 0.00 0.00 61.98 61.21 1c89 s VAL 45 Cb -0.18 -3.86 0.11 0.00 0.56 0.00 0.00 36.38 33.00 1c89 s VAL 45 CO 0.19 -0.91 1.23 0.59 -0.31 0.00 0.00 175.10 175.90 1c89 n ASN 46 N -2.36 2.04 -4.13 4.85 5.03 -1.22 0.15 115.26 119.63 1c89 n ASN 46 Ca 0.02 -1.52 -0.10 0.00 0.87 0.00 0.00 54.58 53.84 1c89 n ASN 46 Cb 0.55 0.30 -0.09 0.00 -1.02 0.00 0.00 39.78 39.52 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 -2.36 1.12 0.26 3.52 0.52 -1.26 -4.78 118.95 115.96 1c89 s ARG 47 Ca 0.22 -1.46 -0.29 0.00 -0.52 0.00 0.00 55.73 53.68 1c89 s ARG 47 Cb 0.19 0.29 -0.09 0.00 0.52 0.00 0.00 34.95 35.86 1c89 s ARG 47 CO 0.50 -0.37 1.19 0.00 0.02 0.00 0.00 175.30 176.64 1c89 s ALA 48 N -4.08 3.45 -0.16 2.13 0.00 -1.26 -4.37 121.76 117.46 1c89 s ALA 48 Ca 0.29 1.01 -0.03 0.00 0.00 0.00 0.00 51.96 53.23 1c89 s ALA 48 Cb 0.06 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1c89 s ALA 48 CO 0.06 -0.36 -0.05 0.08 0.00 0.00 0.00 175.76 175.49 1c89 s VAL 49 N -0.72 3.70 0.47 0.00 1.01 0.36 -4.97 120.40 120.23 1c89 s VAL 49 Ca 0.49 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 1c89 s VAL 49 Cb -0.34 -2.62 0.11 0.00 0.00 0.00 0.00 36.38 33.53 1c89 s VAL 49 CO 0.42 0.48 0.48 -0.81 0.00 0.00 0.00 175.10 175.67 1c89 n PRO 50 N 3.76 -1.44 -2.84 2.72 -0.04 -1.26 0.03 135.00 135.92 1c89 n PRO 50 Ca -0.18 -0.76 -0.40 0.00 -0.04 0.00 0.00 63.50 62.13 1c89 n PRO 50 Cb 0.52 -0.63 -0.06 0.00 -0.04 0.00 0.00 33.50 33.29 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 4.62 -1.15 1.53 1.02 -1.26 -3.62 118.68 119.82 1c89 s LEU 51 Ca 0.30 1.82 -0.03 0.00 0.02 0.00 0.00 54.13 56.24 1c89 s LEU 51 Cb -0.02 -3.48 0.00 0.00 0.02 0.00 0.00 46.19 42.71 1c89 s LEU 51 CO 0.22 0.16 0.35 0.61 0.02 0.00 0.00 176.35 177.72 1c89 n GLY 52 N 1.59 -0.20 3.68 -3.19 0.00 0.26 -4.96 105.19 102.37 1c89 n GLY 52 Ca -0.03 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.95 4.96 0.61 2.61 2.01 -0.25 -4.75 115.64 117.88 1c89 s THR 53 Ca 0.18 1.45 -0.17 0.00 0.31 0.00 0.00 61.69 63.46 1c89 s THR 53 Cb -0.08 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 1c89 s THR 53 CO 0.22 0.10 1.12 0.28 -0.69 0.00 0.00 174.62 175.64 1c89 s THR 54 N 1.81 3.21 -0.55 -0.82 -1.32 -1.26 -0.34 115.64 116.37 1c89 s THR 54 Ca 0.35 0.64 -0.28 0.00 -1.21 0.00 0.00 61.69 61.20 1c89 s THR 54 Cb -0.17 -3.18 0.01 0.00 -1.51 0.00 0.00 72.50 67.65 1c89 s THR 54 CO 0.13 -0.27 1.52 -0.22 -2.21 0.00 0.00 174.62 173.57 1c89 s LEU 55 N -4.40 3.39 -0.13 9.08 0.20 -0.56 -4.83 118.68 121.43 1c89 s LEU 55 Ca 0.69 0.38 -0.06 0.00 0.69 0.00 0.00 54.13 55.84 1c89 s LEU 55 Cb -0.22 -3.01 -0.04 0.00 -0.43 0.00 0.00 46.19 42.49 1c89 s LEU 55 CO 0.35 -1.81 0.08 0.00 -0.29 0.00 0.00 176.35 174.67 1c89 s MET 56 N 5.76 3.49 0.12 1.98 0.23 -1.26 -2.21 119.30 127.42 1c89 s MET 56 Ca 0.57 -0.28 0.22 0.00 -1.03 0.00 0.00 55.69 55.17 1c89 s MET 56 Cb -0.12 -3.09 0.87 0.00 -1.53 0.00 0.00 34.83 30.96 1c89 s MET 56 CO 0.25 0.59 1.67 -0.35 -2.03 0.00 0.00 175.02 175.15 1c89 n PRO 57 N 2.54 0.11 0.08 3.16 -0.04 -1.26 -2.00 135.00 137.59 1c89 n PRO 57 Ca -0.18 0.27 -0.16 0.00 -0.04 0.00 0.00 63.50 63.38 1c89 n PRO 57 Cb 0.54 -1.68 -0.08 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.59 0.11 3.54 3.58 -1.97 -3.29 116.42 118.98 1c89 h ASP 58 Ca 0.00 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 56.93 1c89 h ASP 58 Cb 0.41 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1c89 h ASP 58 CO 0.00 1.34 -0.94 0.23 -2.88 0.00 0.00 179.24 177.00 1c89 n MET 59 N -3.71 0.03 -3.76 0.28 2.81 -1.17 -4.85 117.12 106.75 1c89 n MET 59 Ca -0.09 -0.01 -0.37 0.00 -1.81 0.00 0.00 57.70 55.43 1c89 n MET 59 Cb 0.91 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.79 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 -3.02 4.21 0.00 2.03 1.01 -0.85 -3.41 120.40 120.37 1c89 s VAL 60 Ca 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1c89 s VAL 60 Cb 0.16 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1c89 s VAL 60 CO 0.84 0.31 0.00 0.29 0.00 0.00 0.00 175.10 176.54 1c89 n LYS 61 N 4.91 0.00 -2.57 2.72 4.76 -1.26 -4.41 118.16 122.32 1c89 n LYS 61 Ca -0.16 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.85 1c89 n LYS 61 Cb 0.51 -0.23 0.00 0.00 -1.84 0.00 0.00 35.03 33.48 1c89 n LYS 61 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1c89 n ASN 62 N 0.00 5.26 -0.15 4.39 6.94 -1.26 -4.79 115.26 125.65 1c89 n ASN 62 Ca 0.00 -3.11 0.19 0.00 -0.02 0.00 0.00 54.58 51.64 1c89 n ASN 62 Cb 0.00 -1.48 0.57 0.00 -2.36 0.00 0.00 39.78 36.51 1c89 n ASN 62 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 1c89 h TYR 63 N 6.05 0.34 -1.00 -2.53 -0.00 -1.94 -3.46 116.97 114.44 1c89 h TYR 63 Ca 0.35 0.01 0.00 0.00 0.00 0.00 0.00 58.73 59.09 1c89 h TYR 63 Cb 0.69 -0.11 0.00 0.00 0.00 0.00 0.00 36.73 37.31 1c89 h TYR 63 CO 1.18 0.12 0.00 -0.85 -0.00 0.00 0.00 178.16 178.61 1c89 n GLU 64 N -4.44 0.00 -1.25 0.10 0.28 -1.26 -3.92 120.64 110.15 1c89 n GLU 64 Ca 0.15 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.85 1c89 n GLU 64 Cb 0.63 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.42 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 -0.20 7.52 0.11 -1.84 2.03 -1.26 -4.46 116.55 118.45 1c89 n ASP 65 Ca 0.00 -2.59 0.13 0.00 0.52 0.00 0.00 54.79 52.85 1c89 n ASP 65 Cb 0.00 -1.50 0.42 0.00 -0.72 0.00 0.00 41.12 39.33 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 3.06 -1.63 3.48 0.27 0.00 -1.26 -4.53 105.19 104.58 1c89 n GLY 66 Ca 0.65 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.14 4.33 0.00 2.61 -4.23 -1.26 -4.92 115.64 109.03 1c89 s THR 67 Ca 0.09 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 1c89 s THR 67 Cb 0.12 -4.80 0.00 0.00 1.34 0.00 0.00 72.50 69.16 1c89 s THR 67 CO 0.56 -1.59 0.15 0.35 -0.54 0.00 0.00 174.62 173.54 1c89 n THR 68 N 5.98 0.00 -2.03 3.99 -2.24 -1.26 -4.86 114.28 113.86 1c89 n THR 68 Ca 0.12 0.36 -0.31 0.00 -2.27 0.00 0.00 64.05 61.94 1c89 n THR 68 Cb 0.48 -0.77 -0.00 0.00 -2.10 0.00 0.00 70.33 67.93 1c89 n THR 68 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1c89 s SER 69 N -1.42 6.32 0.00 3.42 1.04 -1.26 -5.05 113.70 116.75 1c89 s SER 69 Ca 0.00 1.48 0.00 0.00 0.48 0.00 0.00 55.95 57.91 1c89 s SER 69 Cb 0.00 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.64 1c89 s SER 69 CO 0.00 -0.81 0.00 -0.81 0.98 0.00 0.00 173.24 172.60 1c89 n PRO 70 N -2.39 0.00 0.00 4.02 -0.04 -1.26 -4.76 135.00 130.56 1c89 n PRO 70 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1c89 n PRO 70 Cb 0.54 -0.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 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 2.08 0.64 2.40 0.55 0.00 -1.26 -4.14 105.19 105.45 1c89 n GLY 71 Ca 0.00 0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 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 7.42 -4.72 0.99 4.77 -1.26 -4.96 117.00 119.23 1c89 n LEU 72 Ca 0.00 -4.40 -0.42 0.00 -0.03 0.00 0.00 56.01 51.17 1c89 n LEU 72 Cb 0.00 -1.36 -0.03 0.00 -2.33 0.00 0.00 43.42 39.70 1c89 n LEU 72 CO 0.00 1.93 1.13 -1.59 -1.33 0.00 0.00 177.39 177.53 1c89 s LYS 73 N -0.57 4.28 0.03 3.23 -2.85 -1.26 -3.00 119.74 119.60 1c89 s LYS 73 Ca 0.59 2.23 -0.11 0.00 -1.00 0.00 0.00 55.97 57.68 1c89 s LYS 73 Cb 0.25 -3.18 0.01 0.00 -2.06 0.00 0.00 37.83 32.85 1c89 s LYS 73 CO -0.12 -0.48 0.23 -1.54 0.10 0.00 0.00 175.35 173.54 1c89 s SER 74 N 0.90 -0.03 0.12 0.03 1.04 -0.81 -4.50 113.70 110.45 1c89 s SER 74 Ca 0.65 -0.26 -0.30 0.00 0.48 0.00 0.00 55.95 56.52 1c89 s SER 74 Cb -0.40 0.30 -0.06 0.00 0.10 0.00 0.00 66.02 65.96 1c89 s SER 74 CO 0.34 -0.54 0.97 -0.69 0.98 0.00 0.00 173.24 174.30 1c89 s VAL 75 N -2.33 4.45 -0.01 5.02 1.01 -0.99 0.11 120.40 127.65 1c89 s VAL 75 Ca -0.07 2.04 0.03 0.00 0.00 0.00 0.00 61.98 63.99 1c89 s VAL 75 Cb -0.02 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 1c89 s VAL 75 CO -0.02 0.32 -0.11 -0.69 0.00 0.00 0.00 175.10 174.59 1c89 s VAL 76 N -0.05 0.91 -0.98 2.92 1.01 0.44 -1.54 120.40 123.10 1c89 s VAL 76 Ca 0.47 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 1c89 s VAL 76 Cb -0.24 -0.77 0.06 0.00 0.00 0.00 0.00 36.38 35.44 1c89 s VAL 76 CO 0.30 0.26 1.38 0.00 0.00 0.00 0.00 175.10 177.05 1c89 s ALA 77 N -0.17 2.82 0.31 5.51 0.00 0.14 -1.28 121.76 129.09 1c89 s ALA 77 Ca 0.03 -2.27 0.01 0.00 0.00 0.00 0.00 51.96 49.73 1c89 s ALA 77 Cb -0.06 -4.43 0.55 0.00 0.00 0.00 0.00 23.12 19.19 1c89 s ALA 77 CO -0.00 -3.49 1.91 -0.97 0.00 0.00 0.00 175.76 173.21 1c89 h ASN 78 N 9.67 0.88 -5.53 0.00 -1.24 -1.78 -0.39 115.58 117.19 1c89 h ASN 78 Ca 0.15 0.01 -0.31 0.00 0.71 0.00 0.00 56.30 56.86 1c89 h ASN 78 Cb 1.02 -0.18 0.01 0.00 0.73 0.00 0.00 38.32 39.89 1c89 h ASN 78 CO 1.37 0.57 -0.06 1.67 -1.29 0.00 0.00 177.43 179.68 1c89 n GLN 79 N -4.49 0.79 -3.91 6.67 7.27 -1.26 -1.25 117.38 121.19 1c89 n GLN 79 Ca 0.14 -2.00 -0.35 0.00 0.07 0.00 0.00 57.00 54.86 1c89 n GLN 79 Cb 0.21 -0.09 -0.08 0.00 2.41 0.00 0.00 30.24 32.68 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1c89 s LEU 80 N 0.00 4.05 -0.07 1.69 0.20 -1.25 -3.81 118.68 119.49 1c89 s LEU 80 Ca 0.35 0.21 0.05 0.00 0.69 0.00 0.00 54.13 55.44 1c89 s LEU 80 Cb -0.03 -2.02 -0.01 0.00 -0.43 0.00 0.00 46.19 43.71 1c89 s LEU 80 CO 0.22 0.24 -0.24 -0.63 -0.29 0.00 0.00 176.35 175.65 1c89 s ILE 81 N 0.01 1.97 0.46 6.68 1.01 -0.75 -4.96 121.20 125.62 1c89 s ILE 81 Ca 0.08 -1.00 -0.22 0.00 0.00 0.00 0.00 60.65 59.50 1c89 s ILE 81 Cb -0.12 -1.68 -0.08 0.00 0.01 0.00 0.00 42.46 40.59 1c89 s ILE 81 CO 0.00 0.55 1.08 -2.16 0.00 0.00 0.00 174.94 174.41 1c89 s PRO 82 N 0.04 3.85 0.74 2.79 0.04 -1.26 -0.46 135.00 140.73 1c89 s PRO 82 Ca -0.09 1.54 -0.17 0.00 0.04 0.00 0.00 61.00 62.32 1c89 s PRO 82 Cb -0.15 -2.30 -0.11 0.00 0.04 0.00 0.00 34.50 31.98 1c89 s PRO 82 CO 0.05 -0.42 -0.12 -0.89 0.04 0.00 0.00 177.00 175.66 1c89 n ILE 83 N -0.61 0.51 -3.34 0.56 5.41 -1.26 -3.49 119.36 117.16 1c89 n ILE 83 Ca 0.08 -0.46 -0.17 0.00 1.00 0.00 0.00 62.75 63.20 1c89 n ILE 83 Cb 0.50 -0.24 0.01 0.00 -0.71 0.00 0.00 39.64 39.20 1c89 n ILE 83 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1c89 n ASN 84 N 1.82 -6.46 -3.54 4.38 3.02 0.42 -4.96 115.26 109.94 1c89 n ASN 84 Ca 0.05 -0.25 -0.20 0.00 -0.03 0.00 0.00 54.58 54.16 1c89 n ASN 84 Cb 0.51 -3.47 -0.14 0.00 -0.61 0.00 0.00 39.78 36.07 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1c89 s THR 85 N -2.61 -0.26 -0.83 3.41 2.01 -1.23 -4.83 115.64 111.31 1c89 s THR 85 Ca 0.13 -0.06 -0.21 0.00 0.31 0.00 0.00 61.69 61.86 1c89 s THR 85 Cb -0.02 -0.60 -0.19 0.00 0.01 0.00 0.00 72.50 71.70 1c89 s THR 85 CO 0.83 -0.18 2.16 0.00 -0.69 0.00 0.00 174.62 176.74 1c89 n ALA 86 N 5.31 0.45 -1.77 7.40 0.00 -1.24 -3.94 120.51 126.71 1c89 n ALA 86 Ca -0.06 -1.48 -0.38 0.00 0.00 0.00 0.00 53.44 51.53 1c89 n ALA 86 Cb 0.49 -2.89 -0.06 0.00 0.00 0.00 0.00 19.45 17.00 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 11.63 4.41 0.42 0.00 2.34 -0.66 -4.62 118.68 132.20 1c89 s LEU 87 Ca 0.88 1.88 0.03 0.00 0.06 0.00 0.00 54.13 56.98 1c89 s LEU 87 Cb -0.22 -3.92 -0.02 0.00 -0.56 0.00 0.00 46.19 41.46 1c89 s LEU 87 CO 0.19 -0.03 0.11 0.42 -1.06 0.00 0.00 176.35 175.98 1c89 s THR 88 N -1.51 0.67 0.50 5.48 -4.23 -1.26 0.25 115.64 115.54 1c89 s THR 88 Ca 0.48 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.32 1c89 s THR 88 Cb -0.21 -2.33 0.52 0.00 1.34 0.00 0.00 72.50 71.83 1c89 s THR 88 CO 0.26 0.00 1.77 0.17 -0.54 0.00 0.00 174.62 176.28 1c89 h LEU 89 N 1.73 0.13 -0.61 4.79 -0.00 -1.95 0.33 115.31 119.72 1c89 h LEU 89 Ca -0.36 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.54 1c89 h LEU 89 Cb 1.28 0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 41.92 1c89 h LEU 89 CO 0.59 0.01 0.33 1.62 -0.00 0.00 0.00 178.44 180.99 1c89 h VAL 90 N 0.11 1.20 0.00 0.15 3.04 -2.01 -2.85 116.25 115.89 1c89 h VAL 90 Ca 0.61 -0.50 -0.17 0.00 -1.01 0.00 0.00 66.70 65.63 1c89 h VAL 90 Cb 2.17 0.41 -0.03 0.00 -2.01 0.00 0.00 31.29 31.84 1c89 h VAL 90 CO -0.11 0.22 -1.05 0.24 -1.01 0.00 0.00 177.57 175.86 1c89 h MET 91 N 0.84 0.00 -5.68 4.17 2.86 -0.86 -3.45 114.93 112.80 1c89 h MET 91 Ca 0.22 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 57.24 1c89 h MET 91 Cb 0.05 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.63 1c89 h MET 91 CO -0.03 0.53 -0.34 -1.64 1.06 0.00 0.00 176.91 176.48 1c89 s MET 92 N -2.86 3.92 -0.07 1.72 -1.94 0.28 -4.05 119.30 116.29 1c89 s MET 92 Ca 0.00 0.11 0.05 0.00 -1.71 0.00 0.00 55.69 54.14 1c89 s MET 92 Cb 0.08 -3.30 -0.00 0.00 2.01 0.00 0.00 34.83 33.62 1c89 s MET 92 CO 0.79 0.53 -0.22 0.15 -0.01 0.00 0.00 175.02 176.26 1c89 s LYS 93 N -0.42 2.47 -0.72 2.03 1.02 -0.40 -4.63 119.74 119.08 1c89 s LYS 93 Ca 0.18 -0.79 -0.26 0.00 0.02 0.00 0.00 55.97 55.12 1c89 s LYS 93 Cb -0.14 -2.01 0.04 0.00 -0.52 0.00 0.00 37.83 35.20 1c89 s LYS 93 CO 0.06 0.26 1.19 0.00 -0.92 0.00 0.00 175.35 175.95 1c89 s ALA 94 N 0.11 2.85 -0.12 5.17 0.00 -1.26 0.17 121.76 128.67 1c89 s ALA 94 Ca -0.09 -1.52 0.03 0.00 0.00 0.00 0.00 51.96 50.37 1c89 s ALA 94 Cb -0.15 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 18.82 1c89 s ALA 94 CO 0.05 -3.15 -0.21 -1.21 0.00 0.00 0.00 175.76 171.24 1c89 s GLU 95 N 5.25 3.09 -0.96 0.00 0.41 0.31 -4.78 118.70 122.03 1c89 s GLU 95 Ca 0.32 -0.83 -0.23 0.00 -0.41 0.00 0.00 54.97 53.81 1c89 s GLU 95 Cb -0.10 -2.42 0.05 0.00 -1.78 0.00 0.00 34.13 29.87 1c89 s GLU 95 CO 0.13 0.09 1.39 -1.21 -0.49 0.00 0.00 175.26 175.18 1c89 s GLU 96 N 0.57 3.51 0.31 1.61 8.01 -1.26 -1.92 118.70 129.53 1c89 s GLU 96 Ca -0.12 -0.99 -0.01 0.00 0.01 0.00 0.00 54.97 53.86 1c89 s GLU 96 Cb -0.17 -5.09 -0.01 0.00 -4.31 0.00 0.00 34.13 24.55 1c89 s GLU 96 CO 0.04 -2.17 0.39 0.54 0.01 0.00 0.00 175.26 174.07 1c89 s VAL 97 N 4.97 0.00 0.16 2.63 0.11 -1.16 -4.79 120.40 122.32 1c89 s VAL 97 Ca 0.43 -1.71 0.06 0.00 -2.93 0.00 0.00 61.98 57.82 1c89 s VAL 97 Cb -0.02 -2.55 -0.04 0.00 -1.53 0.00 0.00 36.38 32.24 1c89 s VAL 97 CO -0.05 0.00 0.07 -0.94 -3.33 0.00 0.00 175.10 170.85 1c89 s SER 98 N -3.23 5.20 0.71 3.54 1.04 -1.26 -3.86 113.70 115.83 1c89 s SER 98 Ca 0.33 -0.23 -0.11 0.00 0.48 0.00 0.00 55.95 56.42 1c89 s SER 98 Cb 0.01 -1.26 0.01 0.00 0.10 0.00 0.00 66.02 64.88 1c89 s SER 98 CO 0.19 0.09 1.06 -2.16 0.98 0.00 0.00 173.24 173.41 1c89 s PRO 99 N -2.94 2.85 -0.69 4.02 0.04 -1.26 -5.01 135.00 132.01 1c89 s PRO 99 Ca 0.29 0.87 -0.26 0.00 0.04 0.00 0.00 61.00 61.94 1c89 s PRO 99 Cb -0.10 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.49 1c89 s PRO 99 CO 0.21 -1.14 1.20 -1.59 0.04 0.00 0.00 177.00 175.72 1c89 s LYS 100 N -5.08 3.23 0.00 4.56 0.00 -1.25 -4.95 119.74 116.25 1c89 s LYS 100 Ca 0.58 -0.27 0.00 0.00 0.00 0.00 0.00 55.97 56.28 1c89 s LYS 100 Cb -0.14 -4.16 0.00 0.00 0.00 0.00 0.00 37.83 33.53 1c89 s LYS 100 CO 0.55 -2.00 0.00 0.41 0.00 0.00 0.00 175.35 174.31 1c89 n GLY 101 N 5.31 1.63 3.47 0.59 0.00 -1.26 -4.98 105.19 109.96 1c89 n GLY 101 Ca 0.03 0.00 -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 0.31 3.82 0.88 -0.61 1.01 -0.82 -4.91 121.20 120.88 1c89 s ILE 102 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 1c89 s ILE 102 Cb 0.00 -2.68 0.12 0.00 0.01 0.00 0.00 42.46 39.91 1c89 s ILE 102 CO 0.00 0.48 1.11 -2.16 0.00 0.00 0.00 174.94 174.36 1c89 s PRO 103 N 0.55 1.36 -0.29 2.79 0.04 -1.26 -2.36 135.00 135.84 1c89 s PRO 103 Ca -0.03 0.57 -0.02 0.00 0.04 0.00 0.00 61.00 61.57 1c89 s PRO 103 Cb -0.14 -1.84 0.12 0.00 0.04 0.00 0.00 34.50 32.68 1c89 s PRO 103 CO 0.03 -2.11 2.30 0.43 0.04 0.00 0.00 177.00 177.69 1c89 n SER 104 N -3.75 6.25 0.08 6.66 7.64 -1.26 -4.30 113.62 124.93 1c89 n SER 104 Ca 0.07 -2.97 -0.01 0.00 1.01 0.00 0.00 58.87 56.96 1c89 n SER 104 Cb 0.57 -1.13 -0.05 0.00 -1.01 0.00 0.00 64.21 62.58 1c89 n SER 104 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1c89 h GLU 105 N 1.86 0.00 -0.20 1.43 4.11 -1.96 -3.32 114.58 116.50 1c89 h GLU 105 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.70 1c89 h GLU 105 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1c89 h GLU 105 CO 0.66 0.56 0.00 0.39 0.07 0.00 0.00 179.01 180.69 1c89 n GLU 106 N -3.15 2.88 -0.25 1.06 1.02 -1.26 -4.70 120.64 116.24 1c89 n GLU 106 Ca -0.03 -1.88 0.06 0.00 -0.02 0.00 0.00 57.16 55.28 1c89 n GLU 106 Cb 0.84 -1.19 0.18 0.00 -0.02 0.00 0.00 31.44 31.25 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 1.17 0.48 -0.11 -3.67 6.09 -1.84 0.75 117.51 120.38 1c89 h ILE 107 Ca 0.00 -0.08 0.03 0.00 -1.37 0.00 0.00 64.86 63.44 1c89 h ILE 107 Cb 0.68 0.22 -0.00 0.00 0.47 0.00 0.00 36.82 38.19 1c89 h ILE 107 CO 0.01 0.04 0.29 -1.28 -3.07 0.00 0.00 178.15 174.14 1c89 h SER 108 N 0.24 0.00 0.36 2.19 0.87 -1.86 0.61 113.55 115.96 1c89 h SER 108 Ca 0.42 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.78 1c89 h SER 108 Cb 0.72 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.65 1c89 h SER 108 CO -0.53 0.00 -1.81 0.29 -0.53 0.00 0.00 176.83 174.24 1c89 n LYS 109 N -3.25 0.65 -0.40 2.24 4.76 0.25 -4.25 118.16 118.16 1c89 n LYS 109 Ca 0.00 0.08 0.08 0.00 -2.87 0.00 0.00 58.31 55.60 1c89 n LYS 109 Cb 0.37 -1.67 0.24 0.00 -1.84 0.00 0.00 35.03 32.13 1c89 n LYS 109 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1c89 n LEU 110 N -2.73 3.63 -4.69 -0.35 4.77 0.17 -4.96 117.00 112.84 1c89 n LEU 110 Ca -0.15 -3.08 -0.42 0.00 -0.03 0.00 0.00 56.01 52.33 1c89 n LEU 110 Cb 0.88 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1c89 n LEU 110 CO 0.44 0.71 1.20 -0.69 -1.33 0.00 0.00 177.39 177.72 1c89 s VAL 111 N -2.87 3.48 -0.68 4.08 1.01 0.19 -2.06 120.40 123.55 1c89 s VAL 111 Ca 0.41 0.87 0.00 0.00 0.00 0.00 0.00 61.98 63.25 1c89 s VAL 111 Cb 0.34 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1c89 s VAL 111 CO 0.07 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1c89 n GLY 112 N 3.79 0.79 3.80 4.51 0.00 0.71 -4.91 105.19 113.87 1c89 n GLY 112 Ca 0.14 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 1c89 n GLY 112 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1c89 s MET 113 N -2.77 3.53 -0.27 1.61 0.00 -0.88 -4.20 119.30 116.33 1c89 s MET 113 Ca 0.00 1.32 -0.19 0.00 0.00 0.00 0.00 55.69 56.82 1c89 s MET 113 Cb 0.00 -2.06 -0.02 0.00 0.00 0.00 0.00 34.83 32.75 1c89 s MET 113 CO 0.00 -0.65 0.57 -0.65 0.00 0.00 0.00 175.02 174.29 1c89 s GLN 114 N -3.61 4.03 0.54 3.16 -0.21 -1.26 -1.65 119.66 120.66 1c89 s GLN 114 Ca 0.66 0.36 -0.16 0.00 0.02 0.00 0.00 55.36 56.25 1c89 s GLN 114 Cb -0.17 -3.67 -0.06 0.00 1.00 0.00 0.00 33.01 30.10 1c89 s GLN 114 CO 0.28 -0.43 1.01 0.54 -2.12 0.00 0.00 175.29 174.57 1c89 s VAL 115 N 2.44 4.35 -2.11 1.09 0.11 -1.25 -4.79 120.40 120.24 1c89 s VAL 115 Ca 0.23 1.10 0.21 0.00 -2.93 0.00 0.00 61.98 60.59 1c89 s VAL 115 Cb -0.15 -3.64 0.05 0.00 -1.53 0.00 0.00 36.38 31.11 1c89 s VAL 115 CO 0.10 -0.67 1.06 -3.20 -3.33 0.00 0.00 175.10 169.05 1c89 n ASN 116 N -1.78 2.18 -4.51 3.54 5.15 -1.26 -0.44 115.26 118.15 1c89 n ASN 116 Ca 0.07 -1.59 -0.24 0.00 -0.60 0.00 0.00 54.58 52.22 1c89 n ASN 116 Cb 0.54 0.32 -0.11 0.00 -0.53 0.00 0.00 39.78 40.00 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1c89 s ARG 117 N -2.11 1.74 0.34 1.20 3.52 -1.25 -4.67 118.95 117.71 1c89 s ARG 117 Ca 0.19 -1.94 -0.22 0.00 -0.13 0.00 0.00 55.73 53.63 1c89 s ARG 117 Cb 0.17 -1.28 -0.10 0.00 -1.56 0.00 0.00 34.95 32.18 1c89 s ARG 117 CO 0.43 -0.05 0.88 0.00 -0.81 0.00 0.00 175.30 175.75 1c89 s ALA 118 N -2.96 3.21 -0.04 6.12 0.00 -1.26 -3.99 121.76 122.84 1c89 s ALA 118 Ca 0.34 0.35 0.06 0.00 0.00 0.00 0.00 51.96 52.71 1c89 s ALA 118 Cb 0.07 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 1c89 s ALA 118 CO 0.15 0.21 -0.21 0.08 0.00 0.00 0.00 175.76 175.99 1c89 s VAL 119 N -1.82 2.45 0.00 0.00 1.01 0.39 -4.89 120.40 117.55 1c89 s VAL 119 Ca 0.53 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1c89 s VAL 119 Cb -0.14 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1c89 s VAL 119 CO 0.19 0.58 0.00 -1.22 0.00 0.00 0.00 175.10 174.65 1c89 n TYR 120 N 2.53 -2.44 0.00 5.22 4.01 -1.26 -1.81 117.16 123.41 1c89 n TYR 120 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1c89 n TYR 120 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1c89 n TYR 120 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1c89 n LEU 121 N 0.00 0.00 -4.40 7.72 7.99 -1.25 -3.84 117.00 123.21 1c89 n LEU 121 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 56.01 55.85 1c89 n LEU 121 Cb 0.00 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.16 1c89 n LEU 121 CO 0.00 -0.01 1.64 0.47 -1.51 0.00 0.00 177.39 177.98 1c89 n ASP 122 N 0.00 -0.89 -4.42 -1.43 9.92 -0.28 -4.45 116.55 115.01 1c89 n ASP 122 Ca 0.00 -1.02 -0.30 0.00 -0.53 0.00 0.00 54.79 52.94 1c89 n ASP 122 Cb 0.00 -0.81 -0.13 0.00 -0.64 0.00 0.00 41.12 39.54 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1c89 s GLN 123 N 6.96 1.72 0.07 -1.24 2.00 -0.49 -4.64 119.66 124.02 1c89 s GLN 123 Ca 0.93 -1.18 -0.30 0.00 -2.00 0.00 0.00 55.36 52.80 1c89 s GLN 123 Cb -0.49 -2.03 -0.05 0.00 0.80 0.00 0.00 33.01 31.25 1c89 s GLN 123 CO 0.34 0.49 1.01 0.99 -0.50 0.00 0.00 175.29 177.62 1c89 s THR 124 N -0.99 4.53 0.25 -0.34 2.01 -1.26 0.25 115.64 120.09 1c89 s THR 124 Ca 0.14 1.95 -0.30 0.00 0.31 0.00 0.00 61.69 63.79 1c89 s THR 124 Cb -0.10 -4.25 -0.11 0.00 0.01 0.00 0.00 72.50 68.05 1c89 s THR 124 CO 0.06 0.22 1.55 -0.22 -0.69 0.00 0.00 174.62 175.54 1c89 s LEU 125 N 0.51 4.37 0.17 4.42 2.96 -0.59 -4.90 118.68 125.62 1c89 s LEU 125 Ca 0.51 2.79 0.09 0.00 -0.22 0.00 0.00 54.13 57.30 1c89 s LEU 125 Cb -0.24 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.79 1c89 s LEU 125 CO 0.29 -0.83 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.26 1c89 s MET 126 N -0.01 1.35 0.48 1.98 -1.94 -1.26 -1.95 119.30 117.95 1c89 s MET 126 Ca 0.64 -1.44 0.28 0.00 -1.71 0.00 0.00 55.69 53.46 1c89 s MET 126 Cb -0.45 -1.49 1.00 0.00 2.01 0.00 0.00 34.83 35.90 1c89 s MET 126 CO 0.42 0.31 1.85 -1.00 -0.01 0.00 0.00 175.02 176.59 1c89 h PRO 127 N 3.25 0.00 -0.01 2.03 0.13 -1.94 -2.70 132.00 132.76 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 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1c89 h PRO 127 CO 0.50 0.10 -0.01 -3.47 -0.23 0.00 0.00 178.00 174.89 1c89 n ASP 128 N -3.20 0.52 0.01 1.44 -0.08 -1.26 -3.79 116.55 110.19 1c89 n ASP 128 Ca 0.01 -1.09 -0.21 0.00 -1.51 0.00 0.00 54.79 51.99 1c89 n ASP 128 Cb 0.40 -0.01 -0.14 0.00 2.34 0.00 0.00 41.12 43.71 1c89 n ASP 128 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 1c89 h MET 129 N 0.80 0.24 -7.42 -0.67 4.05 -1.90 -3.47 114.93 106.57 1c89 h MET 129 Ca 0.00 -0.41 -0.50 0.00 -0.28 0.00 0.00 59.70 58.52 1c89 h MET 129 Cb 0.20 0.15 0.08 0.00 -0.80 0.00 0.00 31.60 31.23 1c89 h MET 129 CO 0.00 1.19 0.40 0.08 0.23 0.00 0.00 176.91 178.82 1c89 s VAL 130 N -2.45 3.82 0.00 -5.77 1.01 -1.25 -3.95 120.40 111.82 1c89 s VAL 130 Ca -0.19 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1c89 s VAL 130 Cb 0.03 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1c89 s VAL 130 CO 0.77 -0.77 0.14 0.29 0.00 0.00 0.00 175.10 175.53 1c89 n LYS 131 N -3.00 0.00 -3.05 2.72 5.02 -1.26 -4.48 118.16 114.10 1c89 n LYS 131 Ca 0.07 0.31 -0.39 0.00 -2.02 0.00 0.00 58.31 56.29 1c89 n LYS 131 Cb 0.56 -0.90 -0.01 0.00 -0.02 0.00 0.00 35.03 34.66 1c89 n LYS 131 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1c89 n ASN 132 N -1.44 5.88 -4.56 4.39 0.23 -1.26 -5.00 115.26 113.50 1c89 n ASN 132 Ca 0.00 -3.47 -0.37 0.00 -0.53 0.00 0.00 54.58 50.21 1c89 n ASN 132 Cb 0.00 -1.10 -0.03 0.00 -2.08 0.00 0.00 39.78 36.57 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1c89 s TYR 133 N -2.95 1.25 -1.88 -2.53 5.04 -1.26 -5.25 117.35 109.77 1c89 s TYR 133 Ca 0.35 1.27 0.00 0.00 -2.44 0.00 0.00 57.07 56.24 1c89 s TYR 133 Cb 0.10 -3.75 0.00 0.00 0.35 0.00 0.00 41.96 38.66 1c89 s TYR 133 CO 0.04 -2.61 0.47 -0.85 -1.34 0.00 0.00 175.55 171.26