#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 0.34 0.54 1.20 -0.14 -1.26 -4.97 119.74 115.45 1c89 s LYS 2 Ca 0.00 0.05 -0.20 0.00 -1.36 0.00 0.00 55.97 54.46 1c89 s LYS 2 Cb 0.00 -1.77 -0.06 0.00 -1.68 0.00 0.00 37.83 34.32 1c89 s LYS 2 CO 0.00 -2.69 1.12 0.00 -0.76 0.00 0.00 175.35 173.02 1c89 s ALA 3 N -3.33 2.71 0.26 5.17 0.00 -1.26 -4.69 121.76 120.62 1c89 s ALA 3 Ca 0.68 0.81 0.08 0.00 0.00 0.00 0.00 51.96 53.52 1c89 s ALA 3 Cb -0.11 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1c89 s ALA 3 CO 0.54 -0.73 0.16 0.45 0.00 0.00 0.00 175.76 176.19 1c89 s SER 4 N -1.79 5.33 -0.86 0.00 0.15 0.43 -4.10 113.70 112.86 1c89 s SER 4 Ca 0.72 -0.34 -0.25 0.00 0.70 0.00 0.00 55.95 56.79 1c89 s SER 4 Cb -0.23 -1.28 0.05 0.00 -1.71 0.00 0.00 66.02 62.84 1c89 s SER 4 CO 0.26 -0.05 1.33 -0.69 1.20 0.00 0.00 173.24 175.29 1c89 s VAL 5 N -2.18 3.88 -0.27 4.45 1.01 -1.04 -1.33 120.40 124.92 1c89 s VAL 5 Ca 0.33 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 1c89 s VAL 5 Cb -0.07 -4.96 0.03 0.00 0.00 0.00 0.00 36.38 31.37 1c89 s VAL 5 CO 0.24 -1.86 -0.01 -0.69 0.00 0.00 0.00 175.10 172.78 1c89 s VAL 6 N 5.19 3.18 0.11 2.92 1.01 0.79 0.01 120.40 133.61 1c89 s VAL 6 Ca 0.39 -1.03 -0.35 0.00 0.00 0.00 0.00 61.98 60.99 1c89 s VAL 6 Cb -0.05 -2.67 -0.14 0.00 0.00 0.00 0.00 36.38 33.52 1c89 s VAL 6 CO 0.03 0.09 1.57 0.00 0.00 0.00 0.00 175.10 176.79 1c89 n ALA 7 N 4.71 0.87 0.10 5.51 0.00 0.17 -3.10 120.51 128.76 1c89 n ALA 7 Ca -0.15 0.44 -0.24 0.00 0.00 0.00 0.00 53.44 53.49 1c89 n ALA 7 Cb 0.46 -2.31 -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 6.03 0.70 -2.28 0.00 -1.24 -1.84 0.83 115.58 117.77 1c89 h ASN 8 Ca -0.46 -0.93 -0.46 0.00 0.71 0.00 0.00 56.30 55.17 1c89 h ASN 8 Cb 1.27 -0.23 0.07 0.00 0.73 0.00 0.00 38.32 40.17 1c89 h ASN 8 CO 0.88 1.72 0.07 0.00 -1.29 0.00 0.00 177.43 178.81 1c89 s GLN 9 N -2.57 1.93 0.26 6.67 -2.07 -1.26 -2.02 119.66 120.60 1c89 s GLN 9 Ca -0.13 -1.01 -0.21 0.00 -1.82 0.00 0.00 55.36 52.19 1c89 s GLN 9 Cb 0.04 -2.37 -0.09 0.00 -1.09 0.00 0.00 33.01 29.51 1c89 s GLN 9 CO 0.89 -1.24 0.79 -1.17 -1.32 0.00 0.00 175.29 173.24 1c89 s LEU 10 N -5.04 4.32 -0.13 2.60 0.20 -1.26 -4.13 118.68 115.24 1c89 s LEU 10 Ca 0.64 1.54 0.03 0.00 0.69 0.00 0.00 54.13 57.03 1c89 s LEU 10 Cb -0.07 -3.75 0.01 0.00 -0.43 0.00 0.00 46.19 41.94 1c89 s LEU 10 CO 0.43 -0.02 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.62 1c89 s ILE 11 N -1.58 2.12 0.00 6.68 1.09 0.32 -4.96 121.20 124.86 1c89 s ILE 11 Ca 0.46 -0.97 0.00 0.00 -1.10 0.00 0.00 60.65 59.04 1c89 s ILE 11 Cb -0.17 -1.84 0.00 0.00 -1.06 0.00 0.00 42.46 39.40 1c89 s ILE 11 CO 0.21 0.55 0.00 -0.81 -0.10 0.00 0.00 174.94 174.79 1c89 n PRO 12 N 3.91 0.63 -3.29 2.79 -0.04 -1.26 0.24 135.00 137.97 1c89 n PRO 12 Ca -0.20 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.92 1c89 n PRO 12 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 1c89 n PRO 12 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1c89 s ILE 13 N -0.23 4.80 -0.68 0.52 1.09 -1.26 -4.30 121.20 121.13 1c89 s ILE 13 Ca 0.00 0.85 -0.08 0.00 -1.10 0.00 0.00 60.65 60.32 1c89 s ILE 13 Cb 0.00 -3.71 0.01 0.00 -1.06 0.00 0.00 42.46 37.70 1c89 s ILE 13 CO 0.00 0.11 0.65 0.59 -0.10 0.00 0.00 174.94 176.18 1c89 n ASN 14 N 0.41 -6.53 -3.73 3.58 3.02 -0.31 -4.92 115.26 106.78 1c89 n ASN 14 Ca -0.02 -0.28 -0.16 0.00 -0.03 0.00 0.00 54.58 54.09 1c89 n ASN 14 Cb 0.52 -3.61 -0.16 0.00 -0.61 0.00 0.00 39.78 35.92 1c89 n ASN 14 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1c89 s THR 15 N -2.72 -0.10 -0.92 3.41 2.01 -1.26 -4.86 115.64 111.21 1c89 s THR 15 Ca 0.10 0.26 -0.24 0.00 0.31 0.00 0.00 61.69 62.11 1c89 s THR 15 Cb -0.02 -0.19 0.05 0.00 0.01 0.00 0.00 72.50 72.35 1c89 s THR 15 CO 0.82 0.11 1.37 0.00 -0.69 0.00 0.00 174.62 176.23 1c89 s ALA 16 N 1.48 2.75 0.88 7.40 0.00 -1.22 -3.67 121.76 129.38 1c89 s ALA 16 Ca -0.05 -1.97 -0.17 0.00 0.00 0.00 0.00 51.96 49.78 1c89 s ALA 16 Cb -0.12 -4.41 -0.11 0.00 0.00 0.00 0.00 23.12 18.47 1c89 s ALA 16 CO -0.05 -3.47 -0.39 1.28 0.00 0.00 0.00 175.76 173.13 1c89 n LEU 17 N 8.95 -4.17 0.00 0.00 4.77 -1.03 -4.09 117.00 121.43 1c89 n LEU 17 Ca 0.22 0.33 -0.17 0.00 -0.03 0.00 0.00 56.01 56.36 1c89 n LEU 17 Cb 0.50 -0.88 -0.03 0.00 -2.33 0.00 0.00 43.42 40.68 1c89 n LEU 17 CO 0.67 -5.22 -0.09 0.35 -1.33 0.00 0.00 177.39 171.77 1c89 n THR 18 N -2.46 0.00 0.00 -5.08 -2.24 -1.26 0.20 114.28 103.44 1c89 n THR 18 Ca 0.02 -1.26 -0.13 0.00 -2.27 0.00 0.00 64.05 60.41 1c89 n THR 18 Cb 0.53 0.14 -0.09 0.00 -2.10 0.00 0.00 70.33 68.81 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 0.00 -1.56 3.22 4.07 -1.94 -2.22 115.31 116.88 1c89 h LEU 19 Ca -0.22 -0.33 0.03 0.00 0.08 0.00 0.00 57.88 57.44 1c89 h LEU 19 Cb 0.69 -0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.40 1c89 h LEU 19 CO 0.36 0.33 0.34 0.40 -1.08 0.00 0.00 178.44 178.79 1c89 h ILE 20 N -0.33 1.05 0.00 1.22 5.03 -2.03 0.75 117.51 123.21 1c89 h ILE 20 Ca 0.00 -0.20 0.00 0.00 -0.12 0.00 0.00 64.86 64.54 1c89 h ILE 20 Cb 0.33 0.43 0.00 0.00 -3.03 0.00 0.00 36.82 34.55 1c89 h ILE 20 CO 0.00 0.10 0.00 0.23 -0.68 0.00 0.00 178.15 177.81 1c89 n MET 21 N -4.47 0.12 -3.25 2.37 2.81 -1.12 -4.57 117.12 109.00 1c89 n MET 21 Ca 0.06 0.18 -0.44 0.00 -1.81 0.00 0.00 57.70 55.69 1c89 n MET 21 Cb 0.15 -1.66 -0.07 0.00 -0.71 0.00 0.00 33.22 30.93 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 -3.08 3.10 -0.20 0.03 1.75 0.26 -3.01 119.30 118.14 1c89 s MET 22 Ca 0.10 -0.90 -0.04 0.00 -1.25 0.00 0.00 55.69 53.60 1c89 s MET 22 Cb 0.14 -4.05 -0.02 0.00 2.84 0.00 0.00 34.83 33.74 1c89 s MET 22 CO 0.49 -1.06 -0.03 0.15 -0.65 0.00 0.00 175.02 173.92 1c89 s LYS 23 N 2.31 3.52 -1.07 4.11 1.02 -1.18 -4.95 119.74 123.50 1c89 s LYS 23 Ca 0.13 -0.57 -0.15 0.00 0.02 0.00 0.00 55.97 55.40 1c89 s LYS 23 Cb -0.19 -3.01 0.18 0.00 -0.52 0.00 0.00 37.83 34.28 1c89 s LYS 23 CO 0.12 -0.03 1.23 0.00 -0.92 0.00 0.00 175.35 175.75 1c89 s ALA 24 N 1.08 3.91 0.12 5.17 0.00 -1.25 -0.15 121.76 130.65 1c89 s ALA 24 Ca 0.02 -3.24 0.03 0.00 0.00 0.00 0.00 51.96 48.77 1c89 s ALA 24 Cb -0.15 -3.97 -0.04 0.00 0.00 0.00 0.00 23.12 18.96 1c89 s ALA 24 CO 0.01 -2.72 0.19 -2.00 0.00 0.00 0.00 175.76 171.24 1c89 s GLU 25 N 1.42 3.18 -1.00 0.00 2.12 -0.44 -4.52 118.70 119.47 1c89 s GLU 25 Ca 0.36 -0.66 -0.19 0.00 0.36 0.00 0.00 54.97 54.84 1c89 s GLU 25 Cb -0.05 -2.85 0.12 0.00 0.26 0.00 0.00 34.13 31.61 1c89 s GLU 25 CO -0.05 0.54 1.26 0.08 -0.54 0.00 0.00 175.26 176.55 1c89 s VAL 26 N -1.63 4.57 0.37 3.70 1.01 -1.26 0.16 120.40 127.32 1c89 s VAL 26 Ca 0.33 -1.55 -0.04 0.00 0.00 0.00 0.00 61.98 60.71 1c89 s VAL 26 Cb -0.11 -4.87 0.02 0.00 0.00 0.00 0.00 36.38 31.41 1c89 s VAL 26 CO 0.26 -1.64 0.55 0.68 0.00 0.00 0.00 175.10 174.95 1c89 s VAL 27 N 3.10 0.00 0.38 2.92 -7.23 -1.26 -4.96 120.40 113.35 1c89 s VAL 27 Ca 0.38 -1.48 0.08 0.00 -1.81 0.00 0.00 61.98 59.14 1c89 s VAL 27 Cb -0.03 -2.74 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 1c89 s VAL 27 CO -0.08 0.00 0.34 0.42 -0.31 0.00 0.00 175.10 175.48 1c89 s THR 28 N -2.75 3.05 0.81 5.32 -4.23 -1.26 -4.42 115.64 112.16 1c89 s THR 28 Ca 0.28 -1.35 -0.12 0.00 -1.18 0.00 0.00 61.69 59.32 1c89 s THR 28 Cb -0.02 -3.08 0.08 0.00 1.34 0.00 0.00 72.50 70.82 1c89 s THR 28 CO 0.20 -0.08 1.12 -2.16 -0.54 0.00 0.00 174.62 173.16 1c89 s PRO 29 N -4.07 1.98 -0.94 3.99 0.04 -1.26 -4.93 135.00 129.81 1c89 s PRO 29 Ca 0.45 0.43 -0.06 0.00 0.04 0.00 0.00 61.00 61.86 1c89 s PRO 29 Cb -0.04 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 1c89 s PRO 29 CO 0.27 -1.65 2.26 0.00 0.04 0.00 0.00 177.00 177.92 1c89 n MET 30 N -3.41 2.24 0.00 4.56 0.00 -1.26 -4.85 117.12 114.40 1c89 n MET 30 Ca 0.07 -1.49 0.00 0.00 0.00 0.00 0.00 57.70 56.28 1c89 n MET 30 Cb 0.58 -2.44 0.00 0.00 0.00 0.00 0.00 33.22 31.36 1c89 n MET 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1c89 n GLY 31 N 3.65 -3.24 3.74 3.17 0.00 -1.26 -4.85 105.19 106.39 1c89 n GLY 31 Ca 0.48 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 4.70 1.03 -0.61 1.01 -0.81 -4.99 121.20 121.53 1c89 s ILE 32 Ca 0.00 1.75 -0.17 0.00 0.00 0.00 0.00 60.65 62.22 1c89 s ILE 32 Cb 0.00 -4.17 0.25 0.00 0.01 0.00 0.00 42.46 38.55 1c89 s ILE 32 CO 0.00 0.34 1.10 -0.81 0.00 0.00 0.00 174.94 175.56 1c89 n PRO 33 N 2.91 -2.22 -0.44 2.79 -0.04 -1.26 -2.49 135.00 134.25 1c89 n PRO 33 Ca -0.01 -1.72 0.01 0.00 -0.04 0.00 0.00 63.50 61.74 1c89 n PRO 33 Cb 0.50 -1.40 0.17 0.00 -0.04 0.00 0.00 33.50 32.73 1c89 n PRO 33 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c89 n ALA 34 N -4.32 3.26 -0.13 0.55 0.00 -1.26 -4.27 120.51 114.34 1c89 n ALA 34 Ca -0.19 -0.95 -0.11 0.00 0.00 0.00 0.00 53.44 52.19 1c89 n ALA 34 Cb 0.54 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 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 1.64 0.72 -0.91 0.00 4.57 -1.94 -2.83 114.58 115.82 1c89 h GLU 35 Ca 0.04 -0.25 -0.28 0.00 -1.18 0.00 0.00 59.36 57.70 1c89 h GLU 35 Cb 1.29 -0.05 -0.17 0.00 -0.16 0.00 0.00 28.75 29.66 1c89 h GLU 35 CO 0.27 0.83 0.35 0.39 -1.18 0.00 0.00 179.01 179.68 1c89 n GLU 36 N -4.41 2.50 -0.36 1.92 -0.58 -1.26 -4.63 120.64 113.82 1c89 n GLU 36 Ca -0.01 -2.28 0.03 0.00 -0.42 0.00 0.00 57.16 54.48 1c89 n GLU 36 Cb 0.32 -1.94 0.10 0.00 -0.57 0.00 0.00 31.44 29.36 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 1.38 0.02 0.00 -3.67 1.08 -1.78 2.66 117.51 117.21 1c89 h ILE 37 Ca 0.34 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.71 1c89 h ILE 37 Cb 2.18 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.94 1c89 h ILE 37 CO 0.70 0.00 -0.47 1.55 -0.69 0.00 0.00 178.15 179.24 1c89 h PRO 38 N -0.00 0.00 0.00 2.37 0.13 -1.87 0.11 132.00 132.74 1c89 h PRO 38 Ca 0.43 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.28 1c89 h PRO 38 Cb 0.68 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.76 1c89 h PRO 38 CO -1.00 0.47 -1.61 -0.91 -0.23 0.00 0.00 178.00 174.73 1c89 h ASN 39 N 0.00 0.01 0.28 1.44 4.21 0.24 -3.37 115.58 118.39 1c89 h ASN 39 Ca -0.00 -0.01 -0.34 0.00 1.21 0.00 0.00 56.30 57.16 1c89 h ASN 39 Cb 0.96 -0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.17 1c89 h ASN 39 CO 0.06 1.01 -1.65 -0.07 -1.29 0.00 0.00 177.43 175.49 1c89 h LEU 40 N 0.00 0.58 -9.36 1.61 4.07 0.42 -3.39 115.31 109.25 1c89 h LEU 40 Ca -0.25 -0.81 -0.58 0.00 0.08 0.00 0.00 57.88 56.32 1c89 h LEU 40 Cb 1.98 -0.19 0.18 0.00 1.08 0.00 0.00 40.66 43.71 1c89 h LEU 40 CO 0.09 1.68 -0.67 0.52 -1.08 0.00 0.00 178.44 178.97 1c89 n VAL 41 N -3.57 1.44 -1.02 1.22 0.31 0.39 -1.21 118.33 115.90 1c89 n VAL 41 Ca -0.21 -0.48 -0.01 0.00 -0.01 0.00 0.00 64.34 63.63 1c89 n VAL 41 Cb 1.07 -0.46 -0.00 0.00 -0.91 0.00 0.00 33.84 33.54 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 2.04 0.31 3.77 2.92 0.00 0.52 -4.84 105.19 109.91 1c89 n GLY 42 Ca 0.10 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.08 4.13 -0.23 1.61 0.00 -0.35 -4.10 119.30 119.28 1c89 s MET 43 Ca 0.00 1.88 -0.11 0.00 0.00 0.00 0.00 55.69 57.46 1c89 s MET 43 Cb 0.00 -2.76 -0.05 0.00 0.00 0.00 0.00 34.83 32.02 1c89 s MET 43 CO 0.00 -0.26 0.18 -0.65 0.00 0.00 0.00 175.02 174.28 1c89 s GLN 44 N -2.18 4.09 0.58 3.16 -0.21 -1.24 -2.47 119.66 121.39 1c89 s GLN 44 Ca 0.55 -0.22 -0.06 0.00 0.02 0.00 0.00 55.36 55.64 1c89 s GLN 44 Cb -0.32 -3.53 -0.00 0.00 1.00 0.00 0.00 33.01 30.16 1c89 s GLN 44 CO 0.40 0.07 0.90 0.14 -2.12 0.00 0.00 175.29 174.68 1c89 s VAL 45 N 1.03 3.96 -0.78 1.09 -7.23 -1.25 -3.34 120.40 113.87 1c89 s VAL 45 Ca 0.09 0.12 0.23 0.00 -1.81 0.00 0.00 61.98 60.60 1c89 s VAL 45 Cb -0.13 -3.56 -0.14 0.00 0.56 0.00 0.00 36.38 33.10 1c89 s VAL 45 CO 0.04 -0.59 1.02 0.59 -0.31 0.00 0.00 175.10 175.86 1c89 n ASN 46 N -2.55 0.68 -3.99 4.85 4.13 -1.25 -1.16 115.26 115.98 1c89 n ASN 46 Ca 0.04 -0.48 -0.13 0.00 1.68 0.00 0.00 54.58 55.69 1c89 n ASN 46 Cb 0.57 0.84 -0.09 0.00 -1.54 0.00 0.00 39.78 39.55 1c89 n ASN 46 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1c89 s ARG 47 N -3.11 1.35 0.36 3.52 0.52 -1.26 -4.75 118.95 115.58 1c89 s ARG 47 Ca 0.06 -1.70 -0.26 0.00 -0.52 0.00 0.00 55.73 53.31 1c89 s ARG 47 Cb 0.16 0.29 -0.09 0.00 0.52 0.00 0.00 34.95 35.83 1c89 s ARG 47 CO 0.81 -0.46 1.09 0.00 0.02 0.00 0.00 175.30 176.76 1c89 s ALA 48 N -3.98 3.20 -0.03 2.13 0.00 -1.26 -4.29 121.76 117.53 1c89 s ALA 48 Ca 0.38 0.83 0.07 0.00 0.00 0.00 0.00 51.96 53.25 1c89 s ALA 48 Cb 0.06 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1c89 s ALA 48 CO 0.15 -0.27 -0.25 0.08 0.00 0.00 0.00 175.76 175.47 1c89 s VAL 49 N -1.44 2.11 0.91 0.00 1.01 0.65 -4.97 120.40 118.67 1c89 s VAL 49 Ca 0.53 -1.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 1c89 s VAL 49 Cb -0.27 -1.74 0.22 0.00 0.00 0.00 0.00 36.38 34.59 1c89 s VAL 49 CO 0.34 0.58 0.91 -0.81 0.00 0.00 0.00 175.10 176.13 1c89 n PRO 50 N 2.53 -2.21 -2.90 2.72 -0.04 -1.26 -0.53 135.00 133.31 1c89 n PRO 50 Ca -0.16 -1.45 -0.33 0.00 -0.04 0.00 0.00 63.50 61.52 1c89 n PRO 50 Cb 0.51 -1.23 -0.07 0.00 -0.04 0.00 0.00 33.50 32.68 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 3.98 -1.62 1.53 1.02 -1.26 -3.64 118.68 118.69 1c89 s LEU 51 Ca 0.57 1.58 0.00 0.00 0.02 0.00 0.00 54.13 56.30 1c89 s LEU 51 Cb -0.04 -4.41 0.00 0.00 0.02 0.00 0.00 46.19 41.76 1c89 s LEU 51 CO 0.42 -0.31 0.00 0.61 0.02 0.00 0.00 176.35 177.09 1c89 n GLY 52 N -0.54 -0.30 3.72 -3.19 0.00 0.28 -4.95 105.19 100.21 1c89 n GLY 52 Ca 0.06 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.92 4.84 0.69 2.61 2.01 -0.42 -4.71 115.64 117.74 1c89 s THR 53 Ca 0.00 1.76 -0.14 0.00 0.31 0.00 0.00 61.69 63.61 1c89 s THR 53 Cb 0.00 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.35 1c89 s THR 53 CO 0.00 0.26 1.12 0.28 -0.69 0.00 0.00 174.62 175.59 1c89 s THR 54 N 0.54 3.16 -0.77 -0.82 -1.32 -1.26 0.43 115.64 115.59 1c89 s THR 54 Ca 0.43 0.51 -0.24 0.00 -1.21 0.00 0.00 61.69 61.19 1c89 s THR 54 Cb -0.20 -3.02 0.06 0.00 -1.51 0.00 0.00 72.50 67.83 1c89 s THR 54 CO 0.24 -0.36 1.17 -0.22 -2.21 0.00 0.00 174.62 173.23 1c89 s LEU 55 N -5.09 3.91 0.02 9.08 1.98 0.10 -4.77 118.68 123.91 1c89 s LEU 55 Ca 0.67 -1.00 -0.12 0.00 -2.89 0.00 0.00 54.13 50.79 1c89 s LEU 55 Cb -0.21 -2.49 -0.06 0.00 0.66 0.00 0.00 46.19 44.10 1c89 s LEU 55 CO 0.44 -1.55 0.37 -0.04 -1.89 0.00 0.00 176.35 173.69 1c89 s MET 56 N 4.62 3.79 0.35 1.98 -1.94 -1.26 -1.92 119.30 124.91 1c89 s MET 56 Ca 0.31 0.24 0.17 0.00 -1.71 0.00 0.00 55.69 54.71 1c89 s MET 56 Cb -0.10 -3.12 0.57 0.00 2.01 0.00 0.00 34.83 34.19 1c89 s MET 56 CO 0.06 0.64 1.68 -1.00 -0.01 0.00 0.00 175.02 176.40 1c89 h PRO 57 N 4.28 0.00 0.00 2.03 0.13 -1.95 -2.58 132.00 133.91 1c89 h PRO 57 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1c89 h PRO 57 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1c89 h PRO 57 CO 0.63 0.43 -0.10 -0.44 -0.23 0.00 0.00 178.00 178.29 1c89 h ASP 58 N 0.00 0.00 -0.01 1.44 3.32 -1.95 -3.20 116.42 116.02 1c89 h ASP 58 Ca -0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1c89 h ASP 58 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1c89 h ASP 58 CO 0.06 0.02 -0.35 0.23 -1.72 0.00 0.00 179.24 177.47 1c89 n MET 59 N -2.32 1.55 -5.30 3.56 2.81 -1.11 -4.94 117.12 111.38 1c89 n MET 59 Ca 0.05 -0.92 -0.31 0.00 -1.81 0.00 0.00 57.70 54.71 1c89 n MET 59 Cb 0.44 -1.33 -0.16 0.00 -0.71 0.00 0.00 33.22 31.46 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 -2.03 2.05 0.00 2.03 1.01 -0.99 -3.78 120.40 118.69 1c89 s VAL 60 Ca 0.15 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1c89 s VAL 60 Cb 0.15 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1c89 s VAL 60 CO 0.44 0.57 0.00 1.17 0.00 0.00 0.00 175.10 177.28 1c89 n LYS 61 N 2.42 2.57 -1.71 2.72 0.00 -1.21 -4.55 118.16 118.40 1c89 n LYS 61 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 58.31 57.81 1c89 n LYS 61 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.48 1c89 n LYS 61 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1c89 n ASN 62 N 0.00 2.88 -0.18 3.14 4.05 -1.26 -4.71 115.26 119.18 1c89 n ASN 62 Ca 0.00 -2.69 0.18 0.00 0.45 0.00 0.00 54.58 52.51 1c89 n ASN 62 Cb 0.00 -1.49 0.53 0.00 1.23 0.00 0.00 39.78 40.05 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 8.98 0.44 -0.56 1.20 -0.00 -1.91 -3.46 116.97 121.66 1c89 h TYR 63 Ca 0.30 0.01 0.00 0.00 0.00 0.00 0.00 58.73 59.04 1c89 h TYR 63 Cb 0.83 -0.14 0.00 0.00 0.00 0.00 0.00 36.73 37.42 1c89 h TYR 63 CO 1.22 0.15 0.00 -0.85 -0.00 0.00 0.00 178.16 178.68 1c89 n GLU 64 N -4.47 0.00 -1.69 0.10 0.28 -1.26 -3.80 120.64 109.80 1c89 n GLU 64 Ca 0.16 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.78 1c89 n GLU 64 Cb 0.62 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.46 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 -0.07 8.10 0.14 -1.84 8.00 -1.26 -4.58 116.55 125.04 1c89 n ASP 65 Ca 0.00 -2.92 0.12 0.00 0.71 0.00 0.00 54.79 52.70 1c89 n ASP 65 Cb 0.00 -1.42 0.49 0.00 -0.02 0.00 0.00 41.12 40.17 1c89 n ASP 65 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1c89 h GLY 66 N 5.94 0.00 -6.96 0.44 0.00 -1.95 -3.41 103.07 97.12 1c89 h GLY 66 Ca 0.73 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 47.44 1c89 h GLY 66 CO 1.50 0.00 -0.14 -0.51 0.00 0.00 0.00 176.54 177.39 1c89 s THR 67 N -3.31 5.13 -0.02 4.70 -4.23 -1.26 -4.99 115.64 111.67 1c89 s THR 67 Ca 0.05 0.72 -0.01 0.00 -1.18 0.00 0.00 61.69 61.27 1c89 s THR 67 Cb 0.10 -3.76 -0.00 0.00 1.34 0.00 0.00 72.50 70.18 1c89 s THR 67 CO 0.43 0.14 -0.01 0.74 -0.54 0.00 0.00 174.62 175.38 1c89 h THR 68 N 5.34 0.00 -3.18 3.99 2.02 -1.94 -3.45 112.91 115.69 1c89 h THR 68 Ca -0.31 -0.15 -0.55 0.00 0.77 0.00 0.00 66.41 66.17 1c89 h THR 68 Cb 1.15 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1c89 h THR 68 CO 0.68 0.00 0.61 -0.44 0.37 0.00 0.00 175.52 176.74 1c89 s SER 69 N -3.58 7.13 0.00 4.18 0.01 -1.26 -4.99 113.70 115.18 1c89 s SER 69 Ca -0.01 1.78 0.00 0.00 1.31 0.00 0.00 55.95 59.03 1c89 s SER 69 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1c89 s SER 69 CO 0.01 -0.50 0.00 -0.81 0.41 0.00 0.00 173.24 172.36 1c89 n PRO 70 N 4.75 0.00 0.00 12.44 -0.04 -1.26 -4.74 135.00 146.15 1c89 n PRO 70 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1c89 n PRO 70 Cb 0.47 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 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 2.20 0.21 2.39 0.55 0.00 -1.26 -4.08 105.19 105.20 1c89 n GLY 71 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 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 6.97 -4.69 0.99 4.77 -1.26 -4.94 117.00 118.83 1c89 n LEU 72 Ca 0.00 -4.20 -0.42 0.00 -0.03 0.00 0.00 56.01 51.35 1c89 n LEU 72 Cb 0.00 -1.33 -0.03 0.00 -2.33 0.00 0.00 43.42 39.73 1c89 n LEU 72 CO 0.00 1.86 0.95 -0.54 -1.33 0.00 0.00 177.39 178.33 1c89 s LYS 73 N -0.76 4.35 0.22 3.23 3.01 -1.26 -4.20 119.74 124.33 1c89 s LYS 73 Ca 0.60 1.66 0.08 0.00 -1.01 0.00 0.00 55.97 57.30 1c89 s LYS 73 Cb 0.30 -3.56 -0.04 0.00 -1.01 0.00 0.00 37.83 33.51 1c89 s LYS 73 CO -0.13 -0.45 0.03 -1.12 0.51 0.00 0.00 175.35 174.19 1c89 s SER 74 N 1.48 4.83 0.01 2.83 0.01 0.41 -4.14 113.70 119.12 1c89 s SER 74 Ca 0.55 -0.46 -0.30 0.00 1.31 0.00 0.00 55.95 57.06 1c89 s SER 74 Cb -0.24 -1.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.92 1c89 s SER 74 CO 0.21 0.04 1.11 -0.69 0.41 0.00 0.00 173.24 174.32 1c89 s VAL 75 N -2.00 4.42 -0.04 3.43 1.01 -1.06 0.02 120.40 126.19 1c89 s VAL 75 Ca 0.30 1.74 0.04 0.00 0.00 0.00 0.00 61.98 64.05 1c89 s VAL 75 Cb -0.08 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 32.18 1c89 s VAL 75 CO 0.20 0.10 -0.14 -0.69 0.00 0.00 0.00 175.10 174.57 1c89 s VAL 76 N 1.30 1.21 -1.26 2.92 1.01 -0.74 -1.55 120.40 123.29 1c89 s VAL 76 Ca 0.55 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 1c89 s VAL 76 Cb -0.25 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.13 1c89 s VAL 76 CO 0.27 0.36 1.75 0.00 0.00 0.00 0.00 175.10 177.47 1c89 s ALA 77 N 0.11 3.07 0.57 5.51 0.00 0.13 -0.80 121.76 130.36 1c89 s ALA 77 Ca -0.04 -2.76 0.27 0.00 0.00 0.00 0.00 51.96 49.43 1c89 s ALA 77 Cb -0.11 -4.64 1.60 0.00 0.00 0.00 0.00 23.12 19.97 1c89 s ALA 77 CO 0.02 -3.58 2.11 -2.95 0.00 0.00 0.00 175.76 171.36 1c89 h ASN 78 N 8.03 0.00 -0.94 0.00 7.08 -1.77 0.68 115.58 128.66 1c89 h ASN 78 Ca 0.40 0.00 -0.56 0.00 -3.08 0.00 0.00 56.30 53.06 1c89 h ASN 78 Cb 0.89 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 37.08 1c89 h ASN 78 CO 1.43 0.00 -0.36 -1.58 -2.08 0.00 0.00 177.43 174.84 1c89 s GLN 79 N -4.73 2.30 -0.13 4.14 0.74 -1.26 -2.19 119.66 118.53 1c89 s GLN 79 Ca -0.05 -1.90 -0.20 0.00 0.05 0.00 0.00 55.36 53.26 1c89 s GLN 79 Cb 0.16 -2.12 -0.03 0.00 1.10 0.00 0.00 33.01 32.12 1c89 s GLN 79 CO 0.58 -0.43 0.59 -1.17 -0.55 0.00 0.00 175.29 174.31 1c89 s LEU 80 N -4.17 4.24 -0.17 3.68 0.20 -1.25 -3.92 118.68 117.29 1c89 s LEU 80 Ca 0.37 0.92 0.01 0.00 0.69 0.00 0.00 54.13 56.12 1c89 s LEU 80 Cb -0.01 -2.86 0.02 0.00 -0.43 0.00 0.00 46.19 42.91 1c89 s LEU 80 CO 0.22 -0.12 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.33 1c89 s ILE 81 N 1.11 1.99 0.59 6.68 -1.09 -0.78 -4.96 121.20 124.75 1c89 s ILE 81 Ca 0.30 -0.90 -0.17 0.00 -2.23 0.00 0.00 60.65 57.65 1c89 s ILE 81 Cb -0.16 -1.79 -0.03 0.00 -1.58 0.00 0.00 42.46 38.89 1c89 s ILE 81 CO 0.12 0.53 1.09 -2.16 -1.23 0.00 0.00 174.94 173.29 1c89 s PRO 82 N 1.20 3.21 0.71 2.79 0.04 -1.26 0.18 135.00 141.87 1c89 s PRO 82 Ca 0.02 1.37 -0.17 0.00 0.04 0.00 0.00 61.00 62.26 1c89 s PRO 82 Cb -0.14 -2.01 -0.14 0.00 0.04 0.00 0.00 34.50 32.26 1c89 s PRO 82 CO -0.10 -0.92 -0.29 -0.89 0.04 0.00 0.00 177.00 174.83 1c89 n ILE 83 N -1.88 0.20 -3.42 0.56 5.41 -1.25 -3.43 119.36 115.55 1c89 n ILE 83 Ca 0.10 -0.49 -0.34 0.00 1.00 0.00 0.00 62.75 63.02 1c89 n ILE 83 Cb 0.52 -0.09 0.03 0.00 -0.71 0.00 0.00 39.64 39.39 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 2.51 -5.81 -3.56 4.38 3.02 0.47 -4.92 115.26 111.35 1c89 n ASN 84 Ca 0.05 -0.06 -0.20 0.00 -0.03 0.00 0.00 54.58 54.34 1c89 n ASN 84 Cb 0.51 -2.06 -0.14 0.00 -0.61 0.00 0.00 39.78 37.47 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1c89 s THR 85 N -1.57 -0.26 -0.84 3.41 2.01 -1.22 -4.80 115.64 112.37 1c89 s THR 85 Ca 0.36 -0.01 -0.20 0.00 0.31 0.00 0.00 61.69 62.15 1c89 s THR 85 Cb -0.04 -0.56 -0.20 0.00 0.01 0.00 0.00 72.50 71.71 1c89 s THR 85 CO 0.83 -0.13 2.22 0.00 -0.69 0.00 0.00 174.62 176.85 1c89 n ALA 86 N 5.31 0.56 -2.00 7.40 0.00 -1.23 -4.09 120.51 126.47 1c89 n ALA 86 Ca -0.06 -1.29 -0.40 0.00 0.00 0.00 0.00 53.44 51.70 1c89 n ALA 86 Cb 0.49 -2.87 -0.06 0.00 0.00 0.00 0.00 19.45 17.02 1c89 n ALA 86 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1c89 s LEU 87 N 9.90 4.59 0.00 0.00 2.34 -0.45 -4.67 118.68 130.40 1c89 s LEU 87 Ca 0.98 1.66 0.02 0.00 0.06 0.00 0.00 54.13 56.85 1c89 s LEU 87 Cb -0.33 -3.32 -0.01 0.00 -0.56 0.00 0.00 46.19 41.97 1c89 s LEU 87 CO 0.23 0.19 0.09 0.35 -1.06 0.00 0.00 176.35 176.15 1c89 n THR 88 N 1.69 0.00 -0.12 5.48 -2.24 -1.26 0.26 114.28 118.09 1c89 n THR 88 Ca -0.05 -2.34 0.27 0.00 -2.27 0.00 0.00 64.05 59.66 1c89 n THR 88 Cb 0.49 0.70 0.72 0.00 -2.10 0.00 0.00 70.33 70.13 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 0.66 3.22 -0.00 -1.96 -0.67 115.31 116.57 1c89 h LEU 89 Ca -0.35 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.50 1c89 h LEU 89 Cb 1.21 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.88 1c89 h LEU 89 CO 0.57 0.00 -0.32 0.58 -0.00 0.00 0.00 178.44 179.27 1c89 h VAL 90 N 0.00 0.29 0.00 0.15 2.07 -2.01 -2.64 116.25 114.12 1c89 h VAL 90 Ca 0.38 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.74 1c89 h VAL 90 Cb 1.58 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1c89 h VAL 90 CO -0.00 0.02 0.00 0.23 0.02 0.00 0.00 177.57 177.83 1c89 n MET 91 N -5.43 0.10 -4.00 1.57 2.81 -0.72 -4.62 117.12 106.82 1c89 n MET 91 Ca -0.13 0.28 -0.35 0.00 -1.81 0.00 0.00 57.70 55.69 1c89 n MET 91 Cb 0.37 -1.67 -0.11 0.00 -0.71 0.00 0.00 33.22 31.10 1c89 n MET 91 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1c89 s MET 92 N -3.13 3.81 -0.49 0.03 1.00 -0.34 -3.79 119.30 116.40 1c89 s MET 92 Ca 0.07 -0.42 -0.04 0.00 0.00 0.00 0.00 55.69 55.30 1c89 s MET 92 Cb 0.11 -3.20 0.13 0.00 0.00 0.00 0.00 34.83 31.87 1c89 s MET 92 CO 0.39 0.11 0.30 0.15 0.00 0.00 0.00 175.02 175.97 1c89 s LYS 93 N 0.78 2.27 -0.71 2.03 1.02 0.02 -4.71 119.74 120.45 1c89 s LYS 93 Ca 0.03 -2.01 -0.26 0.00 0.02 0.00 0.00 55.97 53.75 1c89 s LYS 93 Cb -0.14 -3.71 -0.02 0.00 -0.52 0.00 0.00 37.83 33.45 1c89 s LYS 93 CO 0.02 -1.13 1.82 0.00 -0.92 0.00 0.00 175.35 175.15 1c89 s ALA 94 N 0.86 2.10 0.29 5.17 0.00 -1.25 -1.79 121.76 127.13 1c89 s ALA 94 Ca 0.10 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.15 1c89 s ALA 94 Cb -0.23 -4.38 -0.06 0.00 0.00 0.00 0.00 23.12 18.46 1c89 s ALA 94 CO -0.03 -4.08 -0.10 -1.83 0.00 0.00 0.00 175.76 169.71 1c89 s GLU 95 N 6.86 1.62 -0.93 0.00 -1.05 0.10 -4.64 118.70 120.66 1c89 s GLU 95 Ca 0.65 -1.80 -0.23 0.00 -0.15 0.00 0.00 54.97 53.43 1c89 s GLU 95 Cb -0.10 -1.40 0.06 0.00 -0.44 0.00 0.00 34.13 32.24 1c89 s GLU 95 CO 0.13 0.13 1.35 -2.00 0.95 0.00 0.00 175.26 175.82 1c89 s GLU 96 N -3.65 3.48 0.09 -4.83 -6.30 -1.26 0.16 118.70 106.39 1c89 s GLU 96 Ca 0.29 -1.00 0.00 0.00 -2.50 0.00 0.00 54.97 51.77 1c89 s GLU 96 Cb 0.01 -5.00 -0.04 0.00 0.00 0.00 0.00 34.13 29.11 1c89 s GLU 96 CO 0.13 -2.12 -0.03 0.54 0.02 0.00 0.00 175.26 173.79 1c89 s VAL 97 N 4.80 0.46 0.16 3.70 0.11 -1.26 -4.71 120.40 123.66 1c89 s VAL 97 Ca 0.41 -1.89 0.06 0.00 -2.93 0.00 0.00 61.98 57.63 1c89 s VAL 97 Cb -0.03 -1.70 -0.04 0.00 -1.53 0.00 0.00 36.38 33.08 1c89 s VAL 97 CO -0.04 -0.85 0.02 -0.94 -3.33 0.00 0.00 175.10 169.97 1c89 s SER 98 N -3.01 4.95 0.69 3.54 1.04 -1.26 -3.87 113.70 115.79 1c89 s SER 98 Ca 0.12 -0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.13 1c89 s SER 98 Cb 0.07 -1.13 0.01 0.00 0.10 0.00 0.00 66.02 65.07 1c89 s SER 98 CO -0.05 0.10 1.06 -2.16 0.98 0.00 0.00 173.24 173.17 1c89 s PRO 99 N -2.86 2.95 -1.05 4.02 0.04 -1.26 -4.95 135.00 131.90 1c89 s PRO 99 Ca 0.28 0.76 -0.23 0.00 0.04 0.00 0.00 61.00 61.85 1c89 s PRO 99 Cb -0.10 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 1c89 s PRO 99 CO 0.19 -1.03 1.73 0.15 0.04 0.00 0.00 177.00 178.08 1c89 s LYS 100 N -5.16 3.14 0.00 4.56 3.01 -1.25 -4.89 119.74 119.15 1c89 s LYS 100 Ca 0.58 -0.98 0.00 0.00 -1.01 0.00 0.00 55.97 54.55 1c89 s LYS 100 Cb -0.13 -5.27 0.00 0.00 -1.01 0.00 0.00 37.83 31.42 1c89 s LYS 100 CO 0.54 -2.88 0.00 0.41 0.51 0.00 0.00 175.35 173.93 1c89 n GLY 101 N 6.49 -0.33 3.30 -3.33 0.00 -1.26 -4.85 105.19 105.20 1c89 n GLY 101 Ca 0.40 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.04 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 3.81 1.06 -0.61 1.01 -0.66 -4.88 121.20 120.93 1c89 s ILE 102 Ca 0.00 -0.92 -0.18 0.00 0.00 0.00 0.00 60.65 59.55 1c89 s ILE 102 Cb 0.00 -3.06 0.26 0.00 0.01 0.00 0.00 42.46 39.67 1c89 s ILE 102 CO 0.00 -0.04 1.04 -0.81 0.00 0.00 0.00 174.94 175.13 1c89 n PRO 103 N 4.83 -2.57 -1.44 2.79 -0.04 -1.26 -2.56 135.00 134.75 1c89 n PRO 103 Ca -0.14 -1.64 -0.32 0.00 -0.04 0.00 0.00 63.50 61.37 1c89 n PRO 103 Cb 0.46 -1.43 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 1c89 n PRO 103 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1c89 n SER 104 N -4.50 7.48 0.03 3.54 3.41 -1.26 -4.65 113.62 117.67 1c89 n SER 104 Ca 0.14 -2.79 -0.01 0.00 -0.26 0.00 0.00 58.87 55.95 1c89 n SER 104 Cb 0.53 -1.43 -0.01 0.00 -0.26 0.00 0.00 64.21 63.04 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 4.16 -0.07 -0.34 4.33 5.08 -1.95 -3.38 114.58 122.41 1c89 h GLU 105 Ca 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.98 1c89 h GLU 105 Cb 0.62 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1c89 h GLU 105 CO 1.23 -0.05 0.00 0.39 -1.00 0.00 0.00 179.01 179.58 1c89 n GLU 106 N -2.46 3.20 -0.33 2.33 1.02 -1.26 -4.64 120.64 118.49 1c89 n GLU 106 Ca -0.01 -2.76 0.26 0.00 -0.02 0.00 0.00 57.16 54.63 1c89 n GLU 106 Cb 0.03 -1.81 0.56 0.00 -0.02 0.00 0.00 31.44 30.20 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 2.24 0.47 -0.99 -3.67 6.09 -1.85 0.30 117.51 120.09 1c89 h ILE 107 Ca 0.00 -0.10 0.24 0.00 -1.37 0.00 0.00 64.86 63.63 1c89 h ILE 107 Cb 1.39 0.14 -0.08 0.00 0.47 0.00 0.00 36.82 38.74 1c89 h ILE 107 CO 0.22 0.06 0.65 0.28 -3.07 0.00 0.00 178.15 176.29 1c89 h SER 108 N 0.30 0.40 0.59 2.19 0.02 -1.88 0.73 113.55 115.91 1c89 h SER 108 Ca 0.61 0.06 -0.26 0.00 -0.84 0.00 0.00 61.79 61.36 1c89 h SER 108 Cb 1.72 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 64.20 1c89 h SER 108 CO -0.27 0.12 -1.57 0.11 -1.14 0.00 0.00 176.83 174.08 1c89 h LYS 109 N 0.38 0.00 -0.53 3.45 1.57 -0.80 -3.32 116.57 117.32 1c89 h LYS 109 Ca 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 1c89 h LYS 109 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.72 1c89 h LYS 109 CO -0.23 0.50 0.00 1.28 -0.57 0.00 0.00 179.45 180.44 1c89 n LEU 110 N -3.05 2.90 -4.74 2.94 4.77 0.12 -4.90 117.00 115.04 1c89 n LEU 110 Ca -0.14 -1.45 -0.41 0.00 -0.03 0.00 0.00 56.01 53.98 1c89 n LEU 110 Cb 1.00 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 1c89 n LEU 110 CO 0.45 0.66 1.09 -0.69 -1.33 0.00 0.00 177.39 177.58 1c89 s VAL 111 N -1.41 2.81 -0.92 4.08 1.01 0.23 -1.89 120.40 124.30 1c89 s VAL 111 Ca 0.35 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1c89 s VAL 111 Cb 0.19 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1c89 s VAL 111 CO 0.22 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1c89 n GLY 112 N 2.52 1.03 3.80 4.51 0.00 0.72 -4.92 105.19 112.85 1c89 n GLY 112 Ca 0.08 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.56 2.40 -0.18 1.61 0.00 -0.79 -4.18 119.30 115.59 1c89 s MET 113 Ca 0.00 0.88 -0.10 0.00 0.00 0.00 0.00 55.69 56.47 1c89 s MET 113 Cb 0.00 -1.93 -0.05 0.00 0.00 0.00 0.00 34.83 32.85 1c89 s MET 113 CO 0.00 -1.46 0.15 -0.65 0.00 0.00 0.00 175.02 173.06 1c89 s GLN 114 N -5.05 4.10 0.43 3.16 -0.21 -1.26 -1.34 119.66 119.49 1c89 s GLN 114 Ca 0.60 -0.17 -0.08 0.00 0.02 0.00 0.00 55.36 55.73 1c89 s GLN 114 Cb -0.15 -3.39 -0.05 0.00 1.00 0.00 0.00 33.01 30.42 1c89 s GLN 114 CO 0.55 0.36 0.76 0.54 -2.12 0.00 0.00 175.29 175.38 1c89 s VAL 115 N 0.19 4.86 -1.52 1.09 0.11 -1.26 -4.80 120.40 119.07 1c89 s VAL 115 Ca 0.10 0.40 0.21 0.00 -2.93 0.00 0.00 61.98 59.76 1c89 s VAL 115 Cb -0.11 -3.79 -0.11 0.00 -1.53 0.00 0.00 36.38 30.84 1c89 s VAL 115 CO -0.01 -0.64 0.98 -3.20 -3.33 0.00 0.00 175.10 168.91 1c89 n ASN 116 N -1.66 1.52 -4.52 3.54 4.05 -1.26 -0.39 115.26 116.55 1c89 n ASN 116 Ca 0.01 -1.26 -0.25 0.00 0.45 0.00 0.00 54.58 53.53 1c89 n ASN 116 Cb 0.54 0.72 -0.10 0.00 1.23 0.00 0.00 39.78 42.17 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 1c89 s ARG 117 N -2.68 1.84 0.35 1.20 3.52 -1.26 -4.69 118.95 117.24 1c89 s ARG 117 Ca 0.13 -2.05 -0.17 0.00 -0.13 0.00 0.00 55.73 53.52 1c89 s ARG 117 Cb 0.17 -1.20 -0.09 0.00 -1.56 0.00 0.00 34.95 32.26 1c89 s ARG 117 CO 0.69 -0.17 0.80 0.00 -0.81 0.00 0.00 175.30 175.81 1c89 s ALA 118 N -3.03 3.24 -0.01 6.12 0.00 -1.26 -3.90 121.76 122.93 1c89 s ALA 118 Ca 0.32 0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.48 1c89 s ALA 118 Cb 0.08 -2.87 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 1c89 s ALA 118 CO 0.15 0.27 -0.20 0.08 0.00 0.00 0.00 175.76 176.07 1c89 s VAL 119 N -2.05 1.56 0.00 0.00 1.01 0.13 -4.88 120.40 116.17 1c89 s VAL 119 Ca 0.56 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1c89 s VAL 119 Cb -0.10 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1c89 s VAL 119 CO 0.16 0.41 0.00 -1.22 0.00 0.00 0.00 175.10 174.45 1c89 n TYR 120 N 2.50 -2.54 0.00 5.22 4.01 -1.26 -1.86 117.16 123.23 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 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1c89 n TYR 120 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1c89 n LEU 121 N 0.00 0.00 -4.44 7.72 7.99 -1.25 -3.97 117.00 123.05 1c89 n LEU 121 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 56.01 55.83 1c89 n LEU 121 Cb 0.00 0.00 -0.16 0.00 -0.11 0.00 0.00 43.42 43.15 1c89 n LEU 121 CO 0.00 0.00 1.74 -0.67 -1.51 0.00 0.00 177.39 176.95 1c89 n ASP 122 N 0.00 -0.90 -4.40 -1.43 -0.08 0.12 -4.41 116.55 105.45 1c89 n ASP 122 Ca 0.00 -0.91 -0.30 0.00 -1.51 0.00 0.00 54.79 52.07 1c89 n ASP 122 Cb 0.00 -0.78 -0.14 0.00 2.34 0.00 0.00 41.12 42.55 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1c89 s GLN 123 N 7.08 1.88 0.18 -0.67 2.00 -0.55 -4.84 119.66 124.74 1c89 s GLN 123 Ca 1.04 -1.08 -0.30 0.00 -2.00 0.00 0.00 55.36 53.02 1c89 s GLN 123 Cb -0.57 -2.06 -0.08 0.00 0.80 0.00 0.00 33.01 31.10 1c89 s GLN 123 CO 0.39 0.52 1.12 0.99 -0.50 0.00 0.00 175.29 177.81 1c89 s THR 124 N -0.89 3.82 0.08 -0.34 2.01 -1.26 0.22 115.64 119.28 1c89 s THR 124 Ca 0.13 1.55 -0.31 0.00 0.31 0.00 0.00 61.69 63.38 1c89 s THR 124 Cb -0.10 -3.99 -0.06 0.00 0.01 0.00 0.00 72.50 68.35 1c89 s THR 124 CO 0.04 0.26 1.29 -0.22 -0.69 0.00 0.00 174.62 175.29 1c89 s LEU 125 N -0.30 4.37 0.04 4.42 2.96 -0.60 -4.88 118.68 124.69 1c89 s LEU 125 Ca 0.50 2.14 0.06 0.00 -0.22 0.00 0.00 54.13 56.62 1c89 s LEU 125 Cb -0.30 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.79 1c89 s LEU 125 CO 0.35 -0.56 -0.18 -0.04 -1.32 0.00 0.00 176.35 174.60 1c89 s MET 126 N 1.17 1.25 0.22 1.98 -1.94 -1.26 -1.66 119.30 119.06 1c89 s MET 126 Ca 0.61 -0.86 0.24 0.00 -1.71 0.00 0.00 55.69 53.97 1c89 s MET 126 Cb -0.32 -1.32 0.92 0.00 2.01 0.00 0.00 34.83 36.12 1c89 s MET 126 CO 0.29 0.34 1.72 -0.35 -0.01 0.00 0.00 175.02 177.01 1c89 n PRO 127 N 1.93 0.19 0.15 2.03 -0.04 -1.26 -2.62 135.00 135.37 1c89 n PRO 127 Ca -0.17 0.34 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 1c89 n PRO 127 Cb 0.54 -1.82 0.06 0.00 -0.04 0.00 0.00 33.50 32.24 1c89 n PRO 127 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1c89 h ASP 128 N 0.00 0.00 0.01 3.54 5.19 -2.01 -3.37 116.42 119.77 1c89 h ASP 128 Ca 0.00 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.16 1c89 h ASP 128 Cb 0.47 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.94 1c89 h ASP 128 CO 0.00 0.06 -1.38 0.23 -3.12 0.00 0.00 179.24 175.02 1c89 n MET 129 N -2.88 0.58 -2.92 3.56 2.81 -1.08 -4.81 117.12 112.39 1c89 n MET 129 Ca 0.01 0.54 -0.42 0.00 -1.81 0.00 0.00 57.70 56.02 1c89 n MET 129 Cb 0.57 -1.73 -0.05 0.00 -0.71 0.00 0.00 33.22 31.30 1c89 n MET 129 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1c89 s VAL 130 N -2.38 4.74 -2.11 2.03 1.01 -1.11 -4.60 120.40 117.98 1c89 s VAL 130 Ca -0.29 1.12 0.20 0.00 0.00 0.00 0.00 61.98 63.02 1c89 s VAL 130 Cb 0.06 -4.20 0.53 0.00 0.00 0.00 0.00 36.38 32.77 1c89 s VAL 130 CO 0.59 -0.35 1.69 2.29 0.00 0.00 0.00 175.10 179.32 1c89 n LYS 131 N 6.36 1.26 0.00 2.72 2.85 -1.26 -3.29 118.16 126.81 1c89 n LYS 131 Ca 0.04 -0.39 0.12 0.00 -1.05 0.00 0.00 58.31 57.02 1c89 n LYS 131 Cb 0.48 -1.34 0.13 0.00 -0.65 0.00 0.00 35.03 33.65 1c89 n LYS 131 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1c89 n ASN 132 N -0.40 1.15 -4.75 -5.58 3.02 -1.26 -4.92 115.26 102.51 1c89 n ASN 132 Ca 0.15 -0.92 -0.41 0.00 -0.03 0.00 0.00 54.58 53.37 1c89 n ASN 132 Cb 0.16 0.46 -0.02 0.00 -0.61 0.00 0.00 39.78 39.77 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1c89 s TYR 133 N -2.73 2.99 -2.29 3.10 5.04 -1.21 -5.06 117.35 117.19 1c89 s TYR 133 Ca 0.16 1.12 0.18 0.00 -2.44 0.00 0.00 57.07 56.09 1c89 s TYR 133 Cb 0.18 -3.81 0.15 0.00 0.35 0.00 0.00 41.96 38.83 1c89 s TYR 133 CO 0.66 -2.52 1.08 0.39 -1.34 0.00 0.00 175.55 173.82