#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 0.45 0.38 1.20 -2.85 -1.26 -4.93 119.74 112.74 1c89 s LYS 2 Ca 0.00 -0.20 -0.26 0.00 -1.00 0.00 0.00 55.97 54.51 1c89 s LYS 2 Cb 0.00 -1.80 -0.09 0.00 -2.06 0.00 0.00 37.83 33.88 1c89 s LYS 2 CO 0.00 -2.57 1.26 0.00 0.10 0.00 0.00 175.35 174.14 1c89 s ALA 3 N -3.60 3.28 0.41 0.59 0.00 -1.26 -4.59 121.76 116.59 1c89 s ALA 3 Ca 0.71 1.16 0.07 0.00 0.00 0.00 0.00 51.96 53.89 1c89 s ALA 3 Cb -0.07 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.52 1c89 s ALA 3 CO 0.53 -0.69 0.03 -1.12 0.00 0.00 0.00 175.76 174.51 1c89 s SER 4 N -0.80 3.95 -0.64 0.00 0.01 0.40 -4.43 113.70 112.20 1c89 s SER 4 Ca 0.55 -1.32 -0.25 0.00 1.31 0.00 0.00 55.95 56.24 1c89 s SER 4 Cb -0.36 -0.41 0.05 0.00 0.21 0.00 0.00 66.02 65.50 1c89 s SER 4 CO 0.47 -0.45 1.07 -0.69 0.41 0.00 0.00 173.24 174.05 1c89 s VAL 5 N -2.69 4.14 -0.21 3.43 1.01 -1.00 -2.19 120.40 122.89 1c89 s VAL 5 Ca 0.36 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.54 1c89 s VAL 5 Cb 0.09 -4.71 0.03 0.00 0.00 0.00 0.00 36.38 31.79 1c89 s VAL 5 CO 0.19 -1.45 -0.17 -0.69 0.00 0.00 0.00 175.10 172.98 1c89 s VAL 6 N 4.59 2.13 0.01 2.92 1.01 -0.94 -0.47 120.40 129.66 1c89 s VAL 6 Ca 0.30 -1.15 -0.35 0.00 0.00 0.00 0.00 61.98 60.78 1c89 s VAL 6 Cb -0.12 -2.02 -0.13 0.00 0.00 0.00 0.00 36.38 34.11 1c89 s VAL 6 CO 0.16 0.35 1.70 0.00 0.00 0.00 0.00 175.10 177.31 1c89 n ALA 7 N 4.56 0.82 0.10 5.51 0.00 0.54 -3.07 120.51 128.97 1c89 n ALA 7 Ca -0.19 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.41 1c89 n ALA 7 Cb 0.47 -2.38 -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 7.28 0.65 -2.33 0.00 -1.24 -1.86 0.79 115.58 118.87 1c89 h ASN 8 Ca -0.47 -0.84 -0.45 0.00 0.71 0.00 0.00 56.30 55.24 1c89 h ASN 8 Cb 1.27 -0.21 0.07 0.00 0.73 0.00 0.00 38.32 40.18 1c89 h ASN 8 CO 0.91 1.69 0.05 0.00 -1.29 0.00 0.00 177.43 178.79 1c89 s GLN 9 N -2.60 2.08 -0.31 6.67 -2.07 -1.26 -2.62 119.66 119.55 1c89 s GLN 9 Ca -0.12 -0.95 -0.20 0.00 -1.82 0.00 0.00 55.36 52.27 1c89 s GLN 9 Cb 0.05 -2.40 -0.01 0.00 -1.09 0.00 0.00 33.01 29.57 1c89 s GLN 9 CO 0.89 -1.12 0.63 -1.17 -1.32 0.00 0.00 175.29 173.21 1c89 s LEU 10 N -4.97 4.15 -0.08 2.60 0.20 -1.26 -4.19 118.68 115.12 1c89 s LEU 10 Ca 0.62 0.41 -0.01 0.00 0.69 0.00 0.00 54.13 55.85 1c89 s LEU 10 Cb -0.08 -2.82 -0.03 0.00 -0.43 0.00 0.00 46.19 42.83 1c89 s LEU 10 CO 0.42 -0.49 -0.02 -0.63 -0.29 0.00 0.00 176.35 175.33 1c89 s ILE 11 N 2.62 4.09 0.00 6.68 1.01 0.85 -4.95 121.20 131.50 1c89 s ILE 11 Ca 0.25 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1c89 s ILE 11 Cb -0.15 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.62 1c89 s ILE 11 CO 0.12 0.60 0.00 -0.81 0.00 0.00 0.00 174.94 174.85 1c89 n PRO 12 N 2.22 0.52 -2.12 2.79 -0.04 -1.26 0.24 135.00 137.34 1c89 n PRO 12 Ca -0.18 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.01 1c89 n PRO 12 Cb 0.53 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.07 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 -0.30 2.20 -1.02 0.52 1.09 -1.25 -4.00 121.20 118.45 1c89 s ILE 13 Ca 0.00 -0.20 -0.29 0.00 -1.10 0.00 0.00 60.65 59.06 1c89 s ILE 13 Cb 0.00 -3.00 0.04 0.00 -1.06 0.00 0.00 42.46 38.44 1c89 s ILE 13 CO 0.00 0.00 0.57 -0.46 -0.10 0.00 0.00 174.94 174.95 1c89 n ASN 14 N -3.03 -3.52 -3.92 3.58 0.23 0.41 -4.81 115.26 104.20 1c89 n ASN 14 Ca 0.08 -1.11 -0.27 0.00 -0.53 0.00 0.00 54.58 52.75 1c89 n ASN 14 Cb 0.61 -1.35 -0.17 0.00 -2.08 0.00 0.00 39.78 36.79 1c89 n ASN 14 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1c89 s THR 15 N -3.69 1.08 -0.42 5.53 2.01 -1.26 -4.77 115.64 114.12 1c89 s THR 15 Ca 0.40 -0.32 -0.28 0.00 0.31 0.00 0.00 61.69 61.80 1c89 s THR 15 Cb -0.22 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 1c89 s THR 15 CO 0.83 0.38 1.77 0.00 -0.69 0.00 0.00 174.62 176.91 1c89 s ALA 16 N 1.66 2.69 0.58 7.40 0.00 -1.25 -3.75 121.76 129.09 1c89 s ALA 16 Ca 0.04 -0.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.78 1c89 s ALA 16 Cb -0.13 -4.09 -0.10 0.00 0.00 0.00 0.00 23.12 18.81 1c89 s ALA 16 CO -0.08 -2.96 0.34 1.28 0.00 0.00 0.00 175.76 174.34 1c89 n LEU 17 N 10.81 -0.40 -4.66 0.00 4.77 -1.08 -4.28 117.00 122.16 1c89 n LEU 17 Ca 0.21 0.69 -0.29 0.00 -0.03 0.00 0.00 56.01 56.59 1c89 n LEU 17 Cb 0.48 -1.09 -0.10 0.00 -2.33 0.00 0.00 43.42 40.38 1c89 n LEU 17 CO 0.69 -3.53 -0.27 0.42 -1.33 0.00 0.00 177.39 173.37 1c89 s THR 18 N -1.81 1.63 0.08 -5.08 -4.23 -1.26 0.23 115.64 105.19 1c89 s THR 18 Ca 0.65 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.93 1c89 s THR 18 Cb -0.44 -2.68 -0.15 0.00 1.34 0.00 0.00 72.50 70.58 1c89 s THR 18 CO 0.58 0.00 1.68 -0.07 -0.54 0.00 0.00 174.62 176.27 1c89 h LEU 19 N 1.64 0.03 -0.89 4.79 3.38 -1.94 -1.49 115.31 120.84 1c89 h LEU 19 Ca -0.44 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.49 1c89 h LEU 19 Cb 1.27 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 1c89 h LEU 19 CO 0.77 0.09 0.58 0.40 0.09 0.00 0.00 178.44 180.37 1c89 h ILE 20 N -0.03 1.17 0.00 1.22 5.03 -2.02 0.55 117.51 123.43 1c89 h ILE 20 Ca 0.01 -0.39 0.00 0.00 -0.12 0.00 0.00 64.86 64.36 1c89 h ILE 20 Cb 0.07 -0.07 0.00 0.00 -3.03 0.00 0.00 36.82 33.79 1c89 h ILE 20 CO -0.00 0.21 0.00 0.23 -0.68 0.00 0.00 178.15 177.91 1c89 n MET 21 N -4.51 0.86 -3.57 2.37 2.81 -1.04 -4.54 117.12 109.50 1c89 n MET 21 Ca 0.11 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.59 1c89 n MET 21 Cb 0.07 -1.41 -0.09 0.00 -0.71 0.00 0.00 33.22 31.08 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 2.56 -0.44 0.03 0.00 0.19 -3.34 119.30 116.30 1c89 s MET 22 Ca 0.34 -1.60 -0.11 0.00 0.00 0.00 0.00 55.69 54.32 1c89 s MET 22 Cb 0.16 -3.87 0.08 0.00 0.00 0.00 0.00 34.83 31.20 1c89 s MET 22 CO 0.26 -1.08 0.30 0.15 0.00 0.00 0.00 175.02 174.65 1c89 s LYS 23 N 1.41 2.68 -1.20 4.11 -0.14 -1.18 -4.93 119.74 120.49 1c89 s LYS 23 Ca 0.04 -1.46 -0.13 0.00 -1.36 0.00 0.00 55.97 53.06 1c89 s LYS 23 Cb -0.25 -3.87 -0.06 0.00 -1.68 0.00 0.00 37.83 31.97 1c89 s LYS 23 CO 0.01 -0.99 2.30 0.00 -0.76 0.00 0.00 175.35 175.91 1c89 n ALA 24 N 4.98 5.28 -2.88 5.17 0.00 -1.25 -2.22 120.51 129.60 1c89 n ALA 24 Ca -0.10 -3.19 -0.24 0.00 0.00 0.00 0.00 53.44 49.91 1c89 n ALA 24 Cb 0.43 -3.39 -0.04 0.00 0.00 0.00 0.00 19.45 16.45 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 3.44 3.16 -0.63 0.00 2.12 -0.93 -4.40 118.70 121.46 1c89 s GLU 25 Ca 0.53 -0.83 -0.26 0.00 0.36 0.00 0.00 54.97 54.77 1c89 s GLU 25 Cb 0.14 -2.75 0.04 0.00 0.26 0.00 0.00 34.13 31.82 1c89 s GLU 25 CO -0.02 0.46 1.11 0.08 -0.54 0.00 0.00 175.26 176.35 1c89 s VAL 26 N -1.90 4.08 0.03 3.70 1.01 -1.26 -0.45 120.40 125.61 1c89 s VAL 26 Ca 0.33 0.40 -0.08 0.00 0.00 0.00 0.00 61.98 62.63 1c89 s VAL 26 Cb -0.09 -4.72 -0.00 0.00 0.00 0.00 0.00 36.38 31.56 1c89 s VAL 26 CO 0.26 -1.44 0.16 0.68 0.00 0.00 0.00 175.10 174.76 1c89 s VAL 27 N 4.76 0.11 0.16 2.92 -7.23 -1.26 -4.96 120.40 114.89 1c89 s VAL 27 Ca 0.34 -0.92 -0.01 0.00 -1.81 0.00 0.00 61.98 59.58 1c89 s VAL 27 Cb -0.10 -0.83 -0.04 0.00 0.56 0.00 0.00 36.38 35.96 1c89 s VAL 27 CO 0.18 -0.50 0.34 0.28 -0.31 0.00 0.00 175.10 175.09 1c89 s THR 28 N -2.37 5.24 0.60 5.32 -1.32 -1.26 -3.82 115.64 118.02 1c89 s THR 28 Ca -0.07 -0.31 -0.13 0.00 -1.21 0.00 0.00 61.69 59.97 1c89 s THR 28 Cb -0.02 -3.69 -0.04 0.00 -1.51 0.00 0.00 72.50 67.24 1c89 s THR 28 CO -0.03 -0.06 1.03 -2.16 -2.21 0.00 0.00 174.62 171.19 1c89 s PRO 29 N -3.00 3.55 -0.92 7.08 0.04 -1.26 -5.00 135.00 135.49 1c89 s PRO 29 Ca 0.38 0.92 -0.24 0.00 0.04 0.00 0.00 61.00 62.09 1c89 s PRO 29 Cb -0.12 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 1c89 s PRO 29 CO 0.28 -0.61 1.79 0.00 0.04 0.00 0.00 177.00 178.50 1c89 s MET 30 N -4.65 2.85 0.00 4.56 0.23 -1.25 -4.92 119.30 116.12 1c89 s MET 30 Ca 0.58 -0.47 0.00 0.00 -1.03 0.00 0.00 55.69 54.77 1c89 s MET 30 Cb -0.12 -5.09 0.00 0.00 -1.53 0.00 0.00 34.83 28.09 1c89 s MET 30 CO 0.45 -3.00 0.00 0.41 -2.03 0.00 0.00 175.02 170.84 1c89 n GLY 31 N 6.77 -0.27 3.77 3.16 0.00 -1.26 -4.94 105.19 112.42 1c89 n GLY 31 Ca 0.36 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 4.50 1.11 -0.61 1.01 -0.85 -4.96 121.20 121.40 1c89 s ILE 32 Ca 0.00 1.67 -0.17 0.00 0.00 0.00 0.00 60.65 62.15 1c89 s ILE 32 Cb 0.00 -4.13 0.25 0.00 0.01 0.00 0.00 42.46 38.59 1c89 s ILE 32 CO 0.00 0.47 1.16 -2.16 0.00 0.00 0.00 174.94 174.41 1c89 s PRO 33 N -0.77 -0.49 -0.22 2.79 0.04 -1.26 -2.38 135.00 132.70 1c89 s PRO 33 Ca 0.37 -0.08 0.03 0.00 0.04 0.00 0.00 61.00 61.36 1c89 s PRO 33 Cb -0.22 -1.68 0.36 0.00 0.04 0.00 0.00 34.50 33.00 1c89 s PRO 33 CO 0.25 -3.23 1.44 0.00 0.04 0.00 0.00 177.00 175.50 1c89 n ALA 34 N -4.41 4.01 0.11 8.56 0.00 -1.26 -4.43 120.51 123.09 1c89 n ALA 34 Ca 0.12 -1.45 -0.13 0.00 0.00 0.00 0.00 53.44 51.98 1c89 n ALA 34 Cb 0.59 -1.21 -0.08 0.00 0.00 0.00 0.00 19.45 18.75 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 0.74 -0.26 -1.02 0.00 5.08 -1.96 -2.85 114.58 114.31 1c89 h GLU 35 Ca 0.29 0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.40 1c89 h GLU 35 Cb 1.89 0.06 -0.16 0.00 0.50 0.00 0.00 28.75 31.04 1c89 h GLU 35 CO 0.54 0.03 0.34 0.39 -1.00 0.00 0.00 179.01 179.31 1c89 n GLU 36 N -5.08 1.64 -0.37 2.33 4.71 -1.26 -4.60 120.64 118.00 1c89 n GLU 36 Ca -0.09 -1.52 0.02 0.00 -0.01 0.00 0.00 57.16 55.56 1c89 n GLU 36 Cb 0.22 -1.60 0.08 0.00 -1.01 0.00 0.00 31.44 29.13 1c89 n GLU 36 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1c89 n ILE 37 N -0.31 -0.47 0.58 -3.67 2.08 -1.08 0.27 119.36 116.76 1c89 n ILE 37 Ca 0.30 2.28 0.11 0.00 0.56 0.00 0.00 62.75 66.00 1c89 n ILE 37 Cb 1.08 -3.07 0.44 0.00 -0.75 0.00 0.00 39.64 37.34 1c89 n ILE 37 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1c89 n PRO 38 N -5.52 0.11 -0.10 0.38 -0.04 -1.26 -1.48 135.00 127.09 1c89 n PRO 38 Ca 0.13 0.26 -0.18 0.00 -0.04 0.00 0.00 63.50 63.66 1c89 n PRO 38 Cb 0.44 -1.68 -0.09 0.00 -0.04 0.00 0.00 33.50 32.13 1c89 n PRO 38 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1c89 n ASN 39 N -1.89 2.05 0.09 3.54 3.02 0.71 -4.57 115.26 118.22 1c89 n ASN 39 Ca 0.04 0.05 -0.07 0.00 -0.03 0.00 0.00 54.58 54.57 1c89 n ASN 39 Cb 0.27 -0.45 0.03 0.00 -0.61 0.00 0.00 39.78 39.02 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 -0.32 0.22 -9.43 3.41 4.07 0.37 -3.43 115.31 110.20 1c89 h LEU 40 Ca -0.49 -0.17 -0.57 0.00 0.08 0.00 0.00 57.88 56.73 1c89 h LEU 40 Cb 1.61 -0.07 0.19 0.00 1.08 0.00 0.00 40.66 43.48 1c89 h LEU 40 CO -0.18 0.93 -0.77 0.52 -1.08 0.00 0.00 178.44 177.86 1c89 n VAL 41 N -3.70 1.08 -0.83 1.22 0.31 -0.55 -1.08 118.33 114.79 1c89 n VAL 41 Ca -0.03 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1c89 n VAL 41 Cb 0.76 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 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 2.09 0.24 3.69 2.92 0.00 0.62 -4.78 105.19 109.96 1c89 n GLY 42 Ca 0.08 0.00 -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 -1.02 4.28 0.40 1.61 0.00 -0.24 -3.83 119.30 120.49 1c89 s MET 43 Ca 0.00 1.99 -0.22 0.00 0.00 0.00 0.00 55.69 57.46 1c89 s MET 43 Cb 0.00 -3.58 -0.11 0.00 0.00 0.00 0.00 34.83 31.15 1c89 s MET 43 CO 0.00 -0.59 0.95 -0.65 0.00 0.00 0.00 175.02 174.73 1c89 s GLN 44 N 2.43 4.32 0.31 3.16 -0.21 -1.25 -2.64 119.66 125.78 1c89 s GLN 44 Ca 0.64 1.17 0.08 0.00 0.02 0.00 0.00 55.36 57.27 1c89 s GLN 44 Cb -0.32 -2.34 -0.03 0.00 1.00 0.00 0.00 33.01 31.32 1c89 s GLN 44 CO 0.27 0.05 0.20 0.14 -2.12 0.00 0.00 175.29 173.83 1c89 s VAL 45 N -2.04 3.65 -2.89 1.09 -7.23 -1.25 -4.51 120.40 107.22 1c89 s VAL 45 Ca 0.59 -1.52 0.24 0.00 -1.81 0.00 0.00 61.98 59.48 1c89 s VAL 45 Cb -0.11 -3.16 0.24 0.00 0.56 0.00 0.00 36.38 33.91 1c89 s VAL 45 CO 0.16 -0.25 1.30 0.59 -0.31 0.00 0.00 175.10 176.59 1c89 n ASN 46 N -1.22 3.04 -4.06 4.85 4.13 0.32 0.15 115.26 122.48 1c89 n ASN 46 Ca -0.04 -1.98 -0.19 0.00 1.68 0.00 0.00 54.58 54.04 1c89 n ASN 46 Cb 0.59 -0.05 -0.09 0.00 -1.54 0.00 0.00 39.78 38.70 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 -1.91 1.62 0.64 3.52 0.52 -1.26 -4.80 118.95 117.28 1c89 s ARG 47 Ca 0.30 -1.93 -0.15 0.00 -0.52 0.00 0.00 55.73 53.44 1c89 s ARG 47 Cb 0.21 -0.22 -0.01 0.00 0.52 0.00 0.00 34.95 35.44 1c89 s ARG 47 CO 0.30 -0.42 1.08 0.00 0.02 0.00 0.00 175.30 176.29 1c89 s ALA 48 N -3.56 2.58 -0.26 2.13 0.00 -1.26 -3.84 121.76 117.55 1c89 s ALA 48 Ca 0.35 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.77 1c89 s ALA 48 Cb 0.05 -3.27 0.06 0.00 0.00 0.00 0.00 23.12 19.96 1c89 s ALA 48 CO 0.17 -1.11 -0.10 0.08 0.00 0.00 0.00 175.76 174.79 1c89 s VAL 49 N -2.47 2.15 0.97 0.00 1.01 0.65 -4.93 120.40 117.79 1c89 s VAL 49 Ca 0.65 -1.65 -0.12 0.00 0.00 0.00 0.00 61.98 60.85 1c89 s VAL 49 Cb -0.18 -2.28 0.17 0.00 0.00 0.00 0.00 36.38 34.10 1c89 s VAL 49 CO 0.41 -0.05 1.11 -2.16 0.00 0.00 0.00 175.10 174.41 1c89 s PRO 50 N 1.10 0.66 0.22 2.72 0.04 -1.26 -0.11 135.00 138.37 1c89 s PRO 50 Ca -0.08 0.45 -0.30 0.00 0.04 0.00 0.00 61.00 61.11 1c89 s PRO 50 Cb -0.20 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 1c89 s PRO 50 CO -0.05 -2.56 1.41 -0.51 0.04 0.00 0.00 177.00 175.33 1c89 s LEU 51 N -6.32 4.39 -0.60 -3.56 1.43 -1.26 -2.82 118.68 109.94 1c89 s LEU 51 Ca 0.65 2.57 -0.04 0.00 -1.03 0.00 0.00 54.13 56.28 1c89 s LEU 51 Cb -0.17 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1c89 s LEU 51 CO 0.56 -0.66 0.52 0.61 0.23 0.00 0.00 176.35 177.62 1c89 n GLY 52 N 2.43 0.28 3.69 -3.19 0.00 0.25 -4.98 105.19 103.67 1c89 n GLY 52 Ca 0.07 -0.26 -0.40 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 -3.14 4.99 0.71 2.61 2.01 0.38 -4.73 115.64 118.46 1c89 s THR 53 Ca 0.24 1.46 -0.11 0.00 0.31 0.00 0.00 61.69 63.59 1c89 s THR 53 Cb -0.11 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.36 1c89 s THR 53 CO 0.32 0.15 1.06 0.28 -0.69 0.00 0.00 174.62 175.75 1c89 s THR 54 N 1.46 3.92 -0.74 -0.82 -1.32 -1.26 0.20 115.64 117.08 1c89 s THR 54 Ca 0.36 0.62 -0.26 0.00 -1.21 0.00 0.00 61.69 61.21 1c89 s THR 54 Cb -0.17 -3.36 -0.01 0.00 -1.51 0.00 0.00 72.50 67.44 1c89 s THR 54 CO 0.15 -0.81 1.76 -0.22 -2.21 0.00 0.00 174.62 173.28 1c89 s LEU 55 N -5.57 3.25 -0.19 9.08 1.98 0.38 -4.78 118.68 122.83 1c89 s LEU 55 Ca 0.58 -0.20 -0.10 0.00 -2.89 0.00 0.00 54.13 51.52 1c89 s LEU 55 Cb -0.14 -2.55 -0.05 0.00 0.66 0.00 0.00 46.19 44.11 1c89 s LEU 55 CO 0.55 -2.31 0.15 0.00 -1.89 0.00 0.00 176.35 172.85 1c89 s MET 56 N 6.65 4.15 0.00 1.98 0.23 -1.26 -2.01 119.30 129.05 1c89 s MET 56 Ca 0.61 -0.17 0.20 0.00 -1.03 0.00 0.00 55.69 55.30 1c89 s MET 56 Cb -0.09 -3.41 0.89 0.00 -1.53 0.00 0.00 34.83 30.69 1c89 s MET 56 CO 0.12 0.32 1.65 -0.35 -2.03 0.00 0.00 175.02 174.73 1c89 n PRO 57 N 3.42 0.03 0.18 3.16 -0.04 -1.26 -2.86 135.00 137.64 1c89 n PRO 57 Ca -0.16 0.14 0.07 0.00 -0.04 0.00 0.00 63.50 63.52 1c89 n PRO 57 Cb 0.52 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.00 -0.02 3.54 3.32 -1.97 -3.24 116.42 118.05 1c89 h ASP 58 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1c89 h ASP 58 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1c89 h ASP 58 CO 0.00 0.26 -0.21 0.23 -1.72 0.00 0.00 179.24 177.80 1c89 n MET 59 N -3.17 1.61 -4.49 3.56 2.81 -1.13 -4.90 117.12 111.41 1c89 n MET 59 Ca 0.03 -1.25 -0.33 0.00 -1.81 0.00 0.00 57.70 54.34 1c89 n MET 59 Cb 0.63 -1.37 -0.16 0.00 -0.71 0.00 0.00 33.22 31.61 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 -1.90 2.15 0.00 2.03 1.01 -1.22 -0.52 120.40 121.94 1c89 s VAL 60 Ca 0.19 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1c89 s VAL 60 Cb 0.16 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.66 1c89 s VAL 60 CO 0.37 0.54 0.00 0.29 0.00 0.00 0.00 175.10 176.30 1c89 n LYS 61 N 4.23 0.00 -3.08 2.72 4.76 -1.26 -4.57 118.16 120.96 1c89 n LYS 61 Ca -0.20 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.81 1c89 n LYS 61 Cb 0.51 -0.24 -0.06 0.00 -1.84 0.00 0.00 35.03 33.40 1c89 n LYS 61 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1c89 s ASN 62 N -1.91 6.31 0.04 4.39 3.04 -1.26 -4.94 114.94 120.61 1c89 s ASN 62 Ca 0.00 -0.43 -0.32 0.00 0.04 0.00 0.00 52.86 52.16 1c89 s ASN 62 Cb 0.00 -2.33 -0.18 0.00 -1.54 0.00 0.00 41.25 37.20 1c89 s ASN 62 CO 0.00 -0.86 1.37 1.88 -3.04 0.00 0.00 177.10 176.45 1c89 h TYR 63 N 8.95 -0.98 -4.01 0.43 0.05 -1.97 -3.48 116.97 115.97 1c89 h TYR 63 Ca -0.26 -0.02 -0.33 0.00 0.05 0.00 0.00 58.73 58.17 1c89 h TYR 63 Cb 1.09 0.32 -0.09 0.00 1.01 0.00 0.00 36.73 39.07 1c89 h TYR 63 CO 0.76 -0.59 -0.30 -0.85 -1.05 0.00 0.00 178.16 176.12 1c89 n GLU 64 N -5.50 0.36 -1.67 4.88 0.28 -1.26 -4.31 120.64 113.42 1c89 n GLU 64 Ca -0.14 -2.42 -0.37 0.00 -0.16 0.00 0.00 57.16 54.07 1c89 n GLU 64 Cb 0.43 2.06 -0.02 0.00 1.43 0.00 0.00 31.44 35.33 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 -1.95 8.09 -2.69 -1.84 8.00 -1.26 -4.65 116.55 120.25 1c89 n ASP 65 Ca 0.05 -2.91 -0.35 0.00 0.71 0.00 0.00 54.79 52.28 1c89 n ASP 65 Cb 0.45 -1.43 0.04 0.00 -0.02 0.00 0.00 41.12 40.16 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 2.37 5.73 3.97 0.44 0.00 -1.26 -5.01 105.19 111.44 1c89 n GLY 66 Ca 0.67 -2.54 -0.21 0.00 0.00 0.00 0.00 46.02 43.94 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 -5.13 3.10 0.00 2.61 -4.23 -1.26 -5.12 115.64 105.62 1c89 s THR 67 Ca 0.53 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1c89 s THR 67 Cb 0.44 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1c89 s THR 67 CO -0.28 -0.09 0.00 0.41 -0.54 0.00 0.00 174.62 174.11 1c89 n THR 68 N -2.20 0.00 -1.98 3.99 -1.04 -1.26 -5.03 114.28 106.76 1c89 n THR 68 Ca 0.06 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.66 1c89 n THR 68 Cb 0.59 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.08 1c89 n THR 68 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1c89 s SER 69 N -0.67 6.60 0.00 8.00 0.01 -1.26 -4.92 113.70 121.47 1c89 s SER 69 Ca 0.00 2.79 0.00 0.00 1.31 0.00 0.00 55.95 60.05 1c89 s SER 69 Cb 0.00 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1c89 s SER 69 CO 0.00 -0.70 0.00 -0.81 0.41 0.00 0.00 173.24 172.14 1c89 n PRO 70 N 1.27 0.00 0.00 12.44 -0.04 -1.26 -4.72 135.00 142.69 1c89 n PRO 70 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1c89 n PRO 70 Cb 0.40 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.74 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 2.04 0.29 1.35 0.55 0.00 -1.26 -3.16 105.19 104.99 1c89 n GLY 71 Ca 0.00 0.79 -0.07 0.00 0.00 0.00 0.00 46.02 46.74 1c89 n GLY 71 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1c89 n LEU 72 N 0.00 4.06 -4.76 0.99 -0.00 -1.26 -4.93 117.00 111.10 1c89 n LEU 72 Ca 0.00 -2.09 -0.35 0.00 -0.00 0.00 0.00 56.01 53.57 1c89 n LEU 72 Cb 0.00 -0.60 0.04 0.00 -0.00 0.00 0.00 43.42 42.86 1c89 n LEU 72 CO 0.00 0.65 0.79 -1.59 -0.00 0.00 0.00 177.39 177.25 1c89 s LYS 73 N -0.96 2.91 0.28 1.47 -2.85 -1.19 -4.76 119.74 114.64 1c89 s LYS 73 Ca 0.16 1.65 0.10 0.00 -1.00 0.00 0.00 55.97 56.89 1c89 s LYS 73 Cb 0.14 -1.94 -0.05 0.00 -2.06 0.00 0.00 37.83 33.92 1c89 s LYS 73 CO 0.03 -1.21 -0.16 0.45 0.10 0.00 0.00 175.35 174.56 1c89 s SER 74 N -1.94 3.35 0.10 0.03 0.15 -0.56 -4.22 113.70 110.61 1c89 s SER 74 Ca 0.73 -1.07 -0.31 0.00 0.70 0.00 0.00 55.95 56.01 1c89 s SER 74 Cb -0.26 -0.27 -0.07 0.00 -1.71 0.00 0.00 66.02 63.72 1c89 s SER 74 CO 0.35 -0.07 1.26 -0.69 1.20 0.00 0.00 173.24 175.29 1c89 s VAL 75 N -2.66 3.73 -0.06 4.45 1.01 -0.53 -1.63 120.40 124.72 1c89 s VAL 75 Ca 0.29 1.28 0.05 0.00 0.00 0.00 0.00 61.98 63.59 1c89 s VAL 75 Cb -0.02 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 1c89 s VAL 75 CO 0.13 0.12 -0.20 -0.69 0.00 0.00 0.00 175.10 174.46 1c89 s VAL 76 N 0.88 1.65 -1.20 2.92 1.01 -0.50 -1.09 120.40 124.07 1c89 s VAL 76 Ca 0.59 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1c89 s VAL 76 Cb -0.32 -1.42 0.11 0.00 0.00 0.00 0.00 36.38 34.75 1c89 s VAL 76 CO 0.31 0.47 1.53 0.00 0.00 0.00 0.00 175.10 177.40 1c89 s ALA 77 N 0.08 3.54 0.60 5.51 0.00 0.59 -0.29 121.76 131.79 1c89 s ALA 77 Ca -0.07 -3.02 0.30 0.00 0.00 0.00 0.00 51.96 49.17 1c89 s ALA 77 Cb -0.13 -4.37 1.70 0.00 0.00 0.00 0.00 23.12 20.32 1c89 s ALA 77 CO 0.04 -3.09 2.11 -0.91 0.00 0.00 0.00 175.76 173.91 1c89 h ASN 78 N 7.75 0.00 -3.85 0.00 4.21 -1.77 0.12 115.58 122.04 1c89 h ASN 78 Ca 0.34 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.76 1c89 h ASN 78 Cb 0.90 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.09 1c89 h ASN 78 CO 1.33 0.00 -0.05 0.00 -1.29 0.00 0.00 177.43 177.43 1c89 n GLN 79 N -3.72 1.38 -4.04 0.81 6.02 -1.26 -2.24 117.38 114.33 1c89 n GLN 79 Ca 0.01 -0.56 -0.35 0.00 -0.01 0.00 0.00 57.00 56.10 1c89 n GLN 79 Cb 0.31 0.06 -0.09 0.00 1.02 0.00 0.00 30.24 31.54 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1c89 s LEU 80 N 0.00 3.82 -0.12 1.08 0.20 -1.25 -3.59 118.68 118.82 1c89 s LEU 80 Ca 0.05 0.11 0.03 0.00 0.69 0.00 0.00 54.13 55.01 1c89 s LEU 80 Cb -0.00 -1.95 0.01 0.00 -0.43 0.00 0.00 46.19 43.81 1c89 s LEU 80 CO 0.03 0.21 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.45 1c89 s ILE 81 N 0.14 1.99 0.37 6.68 -1.09 -0.88 -4.99 121.20 123.43 1c89 s ILE 81 Ca 0.05 -0.96 -0.26 0.00 -2.23 0.00 0.00 60.65 57.25 1c89 s ILE 81 Cb -0.12 -1.75 -0.09 0.00 -1.58 0.00 0.00 42.46 38.92 1c89 s ILE 81 CO 0.01 0.54 1.12 -2.16 -1.23 0.00 0.00 174.94 173.22 1c89 s PRO 82 N 0.61 4.23 0.79 2.79 0.04 -1.26 -1.28 135.00 140.92 1c89 s PRO 82 Ca -0.13 1.75 -0.17 0.00 0.04 0.00 0.00 61.00 62.49 1c89 s PRO 82 Cb -0.17 -2.76 -0.15 0.00 0.04 0.00 0.00 34.50 31.46 1c89 s PRO 82 CO 0.03 -0.14 -0.53 -0.89 0.04 0.00 0.00 177.00 175.51 1c89 n ILE 83 N 0.30 0.00 -3.52 0.56 5.41 -1.25 -3.34 119.36 117.52 1c89 n ILE 83 Ca 0.03 -0.50 -0.23 0.00 1.00 0.00 0.00 62.75 63.05 1c89 n ILE 83 Cb 0.47 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.41 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 3.07 -5.77 -3.57 4.38 5.03 0.41 -4.93 115.26 113.89 1c89 n ASN 84 Ca 0.02 -0.47 -0.19 0.00 0.87 0.00 0.00 54.58 54.81 1c89 n ASN 84 Cb 0.52 -2.57 -0.15 0.00 -1.02 0.00 0.00 39.78 36.56 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1c89 s THR 85 N -2.54 -0.26 -0.85 3.41 2.01 -1.21 -4.81 115.64 111.39 1c89 s THR 85 Ca 0.13 0.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.95 1c89 s THR 85 Cb -0.02 -0.54 -0.21 0.00 0.01 0.00 0.00 72.50 71.75 1c89 s THR 85 CO 0.86 -0.11 2.36 0.00 -0.69 0.00 0.00 174.62 177.04 1c89 n ALA 86 N 5.31 0.67 -2.09 7.40 0.00 -1.25 -4.02 120.51 126.53 1c89 n ALA 86 Ca -0.06 -1.00 -0.39 0.00 0.00 0.00 0.00 53.44 51.99 1c89 n ALA 86 Cb 0.50 -2.85 -0.06 0.00 0.00 0.00 0.00 19.45 17.03 1c89 n ALA 86 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1c89 s LEU 87 N 8.72 4.56 0.34 0.00 2.34 -0.60 -4.68 118.68 129.36 1c89 s LEU 87 Ca 1.12 1.55 0.04 0.00 0.06 0.00 0.00 54.13 56.91 1c89 s LEU 87 Cb -0.52 -3.22 -0.06 0.00 -0.56 0.00 0.00 46.19 41.83 1c89 s LEU 87 CO 0.32 0.19 0.05 0.42 -1.06 0.00 0.00 176.35 176.28 1c89 s THR 88 N -0.99 1.27 0.57 5.48 -4.23 -1.26 0.21 115.64 116.70 1c89 s THR 88 Ca 0.35 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.17 1c89 s THR 88 Cb -0.22 -2.81 0.44 0.00 1.34 0.00 0.00 72.50 71.25 1c89 s THR 88 CO 0.25 0.00 1.78 0.17 -0.54 0.00 0.00 174.62 176.27 1c89 h LEU 89 N 2.07 0.00 0.23 4.79 -0.00 -1.97 -1.01 115.31 119.43 1c89 h LEU 89 Ca -0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.46 1c89 h LEU 89 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.89 1c89 h LEU 89 CO 0.71 0.00 -0.27 0.58 -0.00 0.00 0.00 178.44 179.45 1c89 h VAL 90 N 0.00 0.00 0.00 0.15 2.07 -2.01 -2.69 116.25 113.77 1c89 h VAL 90 Ca 0.38 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.84 1c89 h VAL 90 Cb 1.82 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1c89 h VAL 90 CO -0.00 0.00 -0.27 0.24 0.02 0.00 0.00 177.57 177.56 1c89 h MET 91 N -0.51 0.00 -5.85 1.57 2.86 -1.80 -3.43 114.93 107.77 1c89 h MET 91 Ca -0.03 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.04 1c89 h MET 91 Cb 0.45 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.04 1c89 h MET 91 CO -0.06 0.27 0.02 -1.64 1.06 0.00 0.00 176.91 176.56 1c89 s MET 92 N -3.53 4.36 -0.40 1.72 1.00 -0.44 -3.90 119.30 118.10 1c89 s MET 92 Ca 0.01 0.68 -0.03 0.00 0.00 0.00 0.00 55.69 56.36 1c89 s MET 92 Cb 0.10 -3.47 0.10 0.00 0.00 0.00 0.00 34.83 31.56 1c89 s MET 92 CO 0.66 0.03 0.18 0.15 0.00 0.00 0.00 175.02 176.04 1c89 s LYS 93 N 0.98 2.02 -0.69 2.03 1.02 0.60 -4.63 119.74 121.07 1c89 s LYS 93 Ca 0.32 -1.77 -0.26 0.00 0.02 0.00 0.00 55.97 54.28 1c89 s LYS 93 Cb -0.16 -3.53 -0.01 0.00 -0.52 0.00 0.00 37.83 33.60 1c89 s LYS 93 CO 0.14 -1.03 1.70 0.00 -0.92 0.00 0.00 175.35 175.24 1c89 s ALA 94 N 1.14 2.30 0.30 5.17 0.00 -1.26 -1.41 121.76 128.01 1c89 s ALA 94 Ca 0.07 -0.98 0.10 0.00 0.00 0.00 0.00 51.96 51.15 1c89 s ALA 94 Cb -0.22 -4.32 -0.06 0.00 0.00 0.00 0.00 23.12 18.52 1c89 s ALA 94 CO -0.04 -3.81 -0.13 -2.00 0.00 0.00 0.00 175.76 169.78 1c89 s GLU 95 N 6.61 1.70 -0.82 0.00 2.12 -0.64 -4.76 118.70 122.91 1c89 s GLU 95 Ca 0.58 -1.83 -0.26 0.00 0.36 0.00 0.00 54.97 53.83 1c89 s GLU 95 Cb -0.10 -1.62 0.02 0.00 0.26 0.00 0.00 34.13 32.69 1c89 s GLU 95 CO 0.16 0.20 1.47 -2.00 -0.54 0.00 0.00 175.26 174.55 1c89 s GLU 96 N -3.59 3.18 0.12 4.30 -6.30 -1.26 -1.49 118.70 113.66 1c89 s GLU 96 Ca 0.30 -0.39 -0.10 0.00 -2.50 0.00 0.00 54.97 52.28 1c89 s GLU 96 Cb -0.00 -4.64 0.00 0.00 0.00 0.00 0.00 34.13 29.49 1c89 s GLU 96 CO 0.15 -2.35 0.26 0.54 0.02 0.00 0.00 175.26 173.87 1c89 s VAL 97 N 6.33 0.10 0.25 3.70 0.11 -1.26 -4.81 120.40 124.83 1c89 s VAL 97 Ca 0.46 -1.18 0.08 0.00 -2.93 0.00 0.00 61.98 58.41 1c89 s VAL 97 Cb -0.06 -1.52 -0.04 0.00 -1.53 0.00 0.00 36.38 33.23 1c89 s VAL 97 CO 0.07 -0.46 0.09 -0.44 -3.33 0.00 0.00 175.10 171.02 1c89 s SER 98 N -2.90 5.00 1.03 3.54 0.01 -1.26 -4.31 113.70 114.82 1c89 s SER 98 Ca 0.09 -0.45 -0.17 0.00 1.31 0.00 0.00 55.95 56.74 1c89 s SER 98 Cb 0.04 -1.11 0.22 0.00 0.21 0.00 0.00 66.02 65.38 1c89 s SER 98 CO -0.07 -0.01 1.23 -2.16 0.41 0.00 0.00 173.24 172.64 1c89 s PRO 99 N -3.70 0.11 -0.96 12.44 0.04 -1.26 -4.97 135.00 136.71 1c89 s PRO 99 Ca 0.32 -0.21 -0.21 0.00 0.04 0.00 0.00 61.00 60.94 1c89 s PRO 99 Cb -0.07 -1.77 0.10 0.00 0.04 0.00 0.00 34.50 32.80 1c89 s PRO 99 CO 0.22 -2.80 1.25 -1.59 0.04 0.00 0.00 177.00 174.12 1c89 s LYS 100 N -5.66 3.58 0.00 4.56 -2.85 -1.26 -4.93 119.74 113.18 1c89 s LYS 100 Ca 0.72 -1.48 0.00 0.00 -1.00 0.00 0.00 55.97 54.20 1c89 s LYS 100 Cb -0.07 -5.06 0.00 0.00 -2.06 0.00 0.00 37.83 30.64 1c89 s LYS 100 CO 0.54 -1.94 0.00 0.41 0.10 0.00 0.00 175.35 174.46 1c89 n GLY 101 N 6.02 1.12 3.41 0.59 0.00 -1.26 -4.92 105.19 110.15 1c89 n GLY 101 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 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 3.80 0.94 -0.61 1.01 0.95 -4.67 121.20 122.61 1c89 s ILE 102 Ca 0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.17 1c89 s ILE 102 Cb 0.00 -2.72 0.15 0.00 0.01 0.00 0.00 42.46 39.90 1c89 s ILE 102 CO 0.00 0.42 1.12 -2.16 0.00 0.00 0.00 174.94 174.32 1c89 s PRO 103 N 1.17 0.92 -0.11 2.79 0.04 -1.26 -1.45 135.00 137.09 1c89 s PRO 103 Ca 0.03 0.37 0.08 0.00 0.04 0.00 0.00 61.00 61.51 1c89 s PRO 103 Cb -0.14 -1.81 0.42 0.00 0.04 0.00 0.00 34.50 33.00 1c89 s PRO 103 CO 0.01 -2.37 1.16 -1.13 0.04 0.00 0.00 177.00 174.71 1c89 n SER 104 N -3.90 3.31 0.01 6.66 3.41 -1.26 -4.16 113.62 117.69 1c89 n SER 104 Ca 0.06 -2.43 -0.11 0.00 -0.26 0.00 0.00 58.87 56.13 1c89 n SER 104 Cb 0.59 -0.56 0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1c89 n SER 104 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1c89 h GLU 105 N 2.08 0.56 -0.01 4.33 4.11 -1.92 -3.24 114.58 120.49 1c89 h GLU 105 Ca 0.00 -0.39 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1c89 h GLU 105 Cb 1.19 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1c89 h GLU 105 CO 0.23 1.01 -0.59 0.39 0.07 0.00 0.00 179.01 180.12 1c89 n GLU 106 N -3.92 1.39 -0.31 1.06 -0.58 -1.26 -4.48 120.64 112.54 1c89 n GLU 106 Ca -0.04 -0.47 0.14 0.00 -0.42 0.00 0.00 57.16 56.36 1c89 n GLU 106 Cb 0.65 -1.34 0.32 0.00 -0.57 0.00 0.00 31.44 30.51 1c89 n GLU 106 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1c89 h ILE 107 N 1.10 0.48 -1.28 -3.67 6.09 -1.74 0.46 117.51 118.95 1c89 h ILE 107 Ca 0.00 -0.15 0.37 0.00 -1.37 0.00 0.00 64.86 63.71 1c89 h ILE 107 Cb 0.53 0.02 -0.05 0.00 0.47 0.00 0.00 36.82 37.78 1c89 h ILE 107 CO 0.00 0.08 0.92 0.28 -3.07 0.00 0.00 178.15 176.35 1c89 h SER 108 N 0.42 0.02 0.45 2.19 0.02 -1.78 1.41 113.55 116.28 1c89 h SER 108 Ca 0.57 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.45 1c89 h SER 108 Cb 1.09 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 1c89 h SER 108 CO -0.52 0.00 -1.62 0.29 -1.14 0.00 0.00 176.83 173.84 1c89 n LYS 109 N -4.18 0.64 -0.42 3.45 4.01 0.16 -4.15 118.16 117.67 1c89 n LYS 109 Ca 0.28 0.01 0.08 0.00 -0.51 0.00 0.00 58.31 58.16 1c89 n LYS 109 Cb 1.33 -1.67 0.25 0.00 -0.51 0.00 0.00 35.03 34.43 1c89 n LYS 109 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1c89 n LEU 110 N -2.57 3.85 -4.76 -0.35 4.77 0.21 -4.98 117.00 113.16 1c89 n LEU 110 Ca -0.07 -2.71 -0.41 0.00 -0.03 0.00 0.00 56.01 52.78 1c89 n LEU 110 Cb 0.69 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1c89 n LEU 110 CO 0.43 0.70 1.18 -0.69 -1.33 0.00 0.00 177.39 177.68 1c89 s VAL 111 N -2.29 2.14 -1.79 4.08 1.01 0.42 -1.58 120.40 122.39 1c89 s VAL 111 Ca 0.39 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1c89 s VAL 111 Cb 0.29 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1c89 s VAL 111 CO 0.12 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1c89 n GLY 112 N 1.43 0.51 3.79 4.51 0.00 0.57 -4.92 105.19 111.08 1c89 n GLY 112 Ca 0.05 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.40 4.08 -0.16 1.61 1.00 -0.61 -4.09 119.30 116.73 1c89 s MET 113 Ca 0.00 1.43 -0.24 0.00 0.00 0.00 0.00 55.69 56.89 1c89 s MET 113 Cb 0.00 -2.40 -0.02 0.00 0.00 0.00 0.00 34.83 32.41 1c89 s MET 113 CO 0.00 -0.20 0.75 -0.65 0.00 0.00 0.00 175.02 174.92 1c89 s GLN 114 N -2.73 4.30 0.50 2.03 -0.21 -1.26 -1.56 119.66 120.73 1c89 s GLN 114 Ca 0.60 0.88 -0.12 0.00 0.02 0.00 0.00 55.36 56.75 1c89 s GLN 114 Cb -0.19 -3.55 -0.06 0.00 1.00 0.00 0.00 33.01 30.21 1c89 s GLN 114 CO 0.24 -0.23 0.91 0.54 -2.12 0.00 0.00 175.29 174.64 1c89 s VAL 115 N 1.82 4.69 -2.05 1.09 0.11 -1.26 -4.79 120.40 120.01 1c89 s VAL 115 Ca 0.36 0.85 0.22 0.00 -2.93 0.00 0.00 61.98 60.48 1c89 s VAL 115 Cb -0.17 -3.78 -0.00 0.00 -1.53 0.00 0.00 36.38 30.91 1c89 s VAL 115 CO 0.13 -0.77 1.08 -3.20 -3.33 0.00 0.00 175.10 169.01 1c89 n ASN 116 N -1.85 2.06 -4.46 3.54 4.05 -1.26 -0.44 115.26 116.89 1c89 n ASN 116 Ca 0.05 -1.53 -0.27 0.00 0.45 0.00 0.00 54.58 53.28 1c89 n ASN 116 Cb 0.54 0.45 -0.09 0.00 1.23 0.00 0.00 39.78 41.91 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1c89 s ARG 117 N -2.41 1.93 0.21 1.20 1.81 -1.26 -4.69 118.95 115.73 1c89 s ARG 117 Ca 0.19 -2.15 -0.11 0.00 -1.72 0.00 0.00 55.73 51.93 1c89 s ARG 117 Cb 0.18 -1.09 -0.07 0.00 -0.45 0.00 0.00 34.95 33.51 1c89 s ARG 117 CO 0.55 -0.29 0.56 0.00 -0.68 0.00 0.00 175.30 175.44 1c89 s ALA 118 N -3.06 3.55 -0.02 2.13 0.00 -1.26 -3.91 121.76 119.19 1c89 s ALA 118 Ca 0.25 -0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.06 1c89 s ALA 118 Cb 0.05 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.67 1c89 s ALA 118 CO 0.12 0.48 -0.22 0.08 0.00 0.00 0.00 175.76 176.23 1c89 s VAL 119 N -1.73 1.73 0.00 0.00 1.01 -0.40 -4.91 120.40 116.10 1c89 s VAL 119 Ca 0.45 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1c89 s VAL 119 Cb -0.12 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1c89 s VAL 119 CO 0.20 0.49 0.00 -1.22 0.00 0.00 0.00 175.10 174.57 1c89 n TYR 120 N 2.55 -0.30 0.00 5.22 4.01 -1.26 -2.08 117.16 125.30 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 0.52 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 -4.29 7.72 7.99 -1.24 -3.89 117.00 123.29 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 -0.06 1.36 -0.90 -1.51 0.00 0.00 177.39 176.28 1c89 n ASP 122 N 0.00 -0.98 -4.43 -1.43 5.75 0.37 -4.42 116.55 111.41 1c89 n ASP 122 Ca 0.00 -1.32 -0.28 0.00 -0.01 0.00 0.00 54.79 53.18 1c89 n ASP 122 Cb 0.00 -0.85 -0.12 0.00 -1.03 0.00 0.00 41.12 39.12 1c89 n ASP 122 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1c89 s GLN 123 N 6.51 1.55 -0.12 0.11 -2.07 -0.84 -4.80 119.66 120.01 1c89 s GLN 123 Ca 0.61 -1.37 -0.30 0.00 -1.82 0.00 0.00 55.36 52.48 1c89 s GLN 123 Cb -0.28 -1.94 -0.02 0.00 -1.09 0.00 0.00 33.01 29.69 1c89 s GLN 123 CO 0.21 0.44 1.11 0.99 -1.32 0.00 0.00 175.29 176.71 1c89 s THR 124 N -1.31 4.53 0.02 3.63 2.01 -1.26 -0.30 115.64 122.97 1c89 s THR 124 Ca 0.18 1.83 -0.30 0.00 0.31 0.00 0.00 61.69 63.70 1c89 s THR 124 Cb -0.09 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.19 1c89 s THR 124 CO 0.09 -0.04 1.27 -0.22 -0.69 0.00 0.00 174.62 175.02 1c89 s LEU 125 N 2.44 4.33 0.18 4.42 2.96 -0.25 -4.93 118.68 127.83 1c89 s LEU 125 Ca 0.51 2.03 0.08 0.00 -0.22 0.00 0.00 54.13 56.52 1c89 s LEU 125 Cb -0.20 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 1c89 s LEU 125 CO 0.17 -0.58 -0.16 -0.04 -1.32 0.00 0.00 176.35 174.42 1c89 s MET 126 N 1.69 1.27 0.00 1.98 -1.94 -1.26 -0.04 119.30 121.00 1c89 s MET 126 Ca 0.60 -1.47 0.19 0.00 -1.71 0.00 0.00 55.69 53.30 1c89 s MET 126 Cb -0.30 -1.19 0.88 0.00 2.01 0.00 0.00 34.83 36.24 1c89 s MET 126 CO 0.27 0.22 1.61 -0.35 -0.01 0.00 0.00 175.02 176.76 1c89 n PRO 127 N 0.01 0.09 0.15 2.03 -0.04 -1.26 -2.62 135.00 133.36 1c89 n PRO 127 Ca -0.11 0.15 0.09 0.00 -0.04 0.00 0.00 63.50 63.58 1c89 n PRO 127 Cb 0.59 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.00 3.54 3.32 -1.98 -3.37 116.42 117.93 1c89 h ASP 128 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1c89 h ASP 128 Cb 0.28 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1c89 h ASP 128 CO 0.00 0.16 -0.57 -0.03 -1.72 0.00 0.00 179.24 177.08 1c89 h MET 129 N 0.00 0.00 -5.95 3.56 4.05 -1.93 -3.44 114.93 111.22 1c89 h MET 129 Ca -0.02 0.00 -0.58 0.00 -0.28 0.00 0.00 59.70 58.81 1c89 h MET 129 Cb 1.14 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.87 1c89 h MET 129 CO 0.02 0.91 0.59 0.08 0.23 0.00 0.00 176.91 178.74 1c89 s VAL 130 N -2.25 4.78 -2.27 -5.77 1.01 -1.23 -4.33 120.40 110.33 1c89 s VAL 130 Ca -0.22 1.78 0.28 0.00 0.00 0.00 0.00 61.98 63.82 1c89 s VAL 130 Cb 0.01 -4.21 0.48 0.00 0.00 0.00 0.00 36.38 32.67 1c89 s VAL 130 CO 0.60 -0.10 1.71 0.29 0.00 0.00 0.00 175.10 177.60 1c89 n LYS 131 N 5.97 1.41 -0.02 2.72 4.76 -1.26 -3.68 118.16 128.06 1c89 n LYS 131 Ca 0.08 -0.80 0.13 0.00 -2.87 0.00 0.00 58.31 54.85 1c89 n LYS 131 Cb 0.47 -1.48 0.40 0.00 -1.84 0.00 0.00 35.03 32.58 1c89 n LYS 131 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1c89 n ASN 132 N -0.09 1.91 -4.74 4.39 2.85 -1.26 -4.93 115.26 113.39 1c89 n ASN 132 Ca 0.17 -1.65 -0.29 0.00 -0.11 0.00 0.00 54.58 52.70 1c89 n ASN 132 Cb 0.35 -0.02 0.14 0.00 1.24 0.00 0.00 39.78 41.48 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1c89 s TYR 133 N -1.95 2.40 -2.93 1.20 5.04 -1.24 -5.12 117.35 114.75 1c89 s TYR 133 Ca 0.35 1.08 0.23 0.00 -2.44 0.00 0.00 57.07 56.30 1c89 s TYR 133 Cb 0.20 -3.22 0.19 0.00 0.35 0.00 0.00 41.96 39.47 1c89 s TYR 133 CO 0.32 -2.41 1.24 0.39 -1.34 0.00 0.00 175.55 173.75