#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c89 n LYS 2 N 0.00 0.20 -2.53 1.20 -0.00 -1.26 -5.05 118.16 110.72 1c89 n LYS 2 Ca 0.00 -2.40 -0.33 0.00 -0.00 0.00 0.00 58.31 55.58 1c89 n LYS 2 Cb 0.00 -0.45 -0.04 0.00 -0.00 0.00 0.00 35.03 34.54 1c89 n LYS 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1c89 s ALA 3 N -2.96 2.96 0.41 0.58 0.00 -1.26 -4.65 121.76 116.84 1c89 s ALA 3 Ca 0.55 0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.98 1c89 s ALA 3 Cb -0.03 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 1c89 s ALA 3 CO 0.36 -0.21 0.15 -1.12 0.00 0.00 0.00 175.76 174.93 1c89 s SER 4 N -2.44 4.33 -0.81 0.00 0.01 0.34 -4.55 113.70 110.57 1c89 s SER 4 Ca 0.63 -1.13 -0.23 0.00 1.31 0.00 0.00 55.95 56.53 1c89 s SER 4 Cb -0.12 -0.47 0.07 0.00 0.21 0.00 0.00 66.02 65.71 1c89 s SER 4 CO 0.23 -0.53 1.18 -0.69 0.41 0.00 0.00 173.24 173.85 1c89 s VAL 5 N -2.62 4.16 -0.25 3.43 1.01 -0.92 -2.10 120.40 123.12 1c89 s VAL 5 Ca 0.40 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1c89 s VAL 5 Cb 0.05 -4.85 0.03 0.00 0.00 0.00 0.00 36.38 31.62 1c89 s VAL 5 CO 0.22 -1.68 -0.08 -0.69 0.00 0.00 0.00 175.10 172.87 1c89 s VAL 6 N 4.41 2.67 0.07 2.92 1.01 -0.56 -1.47 120.40 129.44 1c89 s VAL 6 Ca 0.33 -1.17 -0.35 0.00 0.00 0.00 0.00 61.98 60.78 1c89 s VAL 6 Cb -0.08 -2.40 -0.15 0.00 0.00 0.00 0.00 36.38 33.75 1c89 s VAL 6 CO 0.03 0.15 1.55 0.00 0.00 0.00 0.00 175.10 176.84 1c89 n ALA 7 N 4.61 0.40 0.07 5.51 0.00 -0.55 -2.99 120.51 127.57 1c89 n ALA 7 Ca -0.16 0.44 -0.22 0.00 0.00 0.00 0.00 53.44 53.50 1c89 n ALA 7 Cb 0.46 -2.27 -0.15 0.00 0.00 0.00 0.00 19.45 17.49 1c89 n ALA 7 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1c89 h ASN 8 N 6.02 0.57 -5.30 0.00 -1.07 -1.73 0.75 115.58 114.83 1c89 h ASN 8 Ca -0.46 -0.91 -0.41 0.00 0.07 0.00 0.00 56.30 54.58 1c89 h ASN 8 Cb 1.29 -0.19 0.07 0.00 -2.07 0.00 0.00 38.32 37.42 1c89 h ASN 8 CO 0.87 1.62 0.10 0.00 0.07 0.00 0.00 177.43 180.09 1c89 n GLN 9 N -3.86 -0.01 -3.29 4.14 10.64 -1.26 -1.64 117.38 122.10 1c89 n GLN 9 Ca -0.20 -2.40 -0.38 0.00 -1.83 0.00 0.00 57.00 52.19 1c89 n GLN 9 Cb 0.97 -0.57 -0.06 0.00 -0.86 0.00 0.00 30.24 29.72 1c89 n GLN 9 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1c89 s LEU 10 N 0.00 4.49 -0.08 2.61 0.20 -1.26 -4.03 118.68 120.61 1c89 s LEU 10 Ca 0.58 1.23 0.02 0.00 0.69 0.00 0.00 54.13 56.65 1c89 s LEU 10 Cb -0.03 -2.98 -0.02 0.00 -0.43 0.00 0.00 46.19 42.73 1c89 s LEU 10 CO 0.39 0.24 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.93 1c89 s ILE 11 N -1.19 3.23 0.00 6.68 1.01 0.98 -4.94 121.20 126.98 1c89 s ILE 11 Ca 0.31 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1c89 s ILE 11 Cb -0.19 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 39.98 1c89 s ILE 11 CO 0.19 0.57 0.00 -0.81 0.00 0.00 0.00 174.94 174.89 1c89 n PRO 12 N 2.66 0.80 -3.92 2.79 -0.04 -1.26 0.19 135.00 136.23 1c89 n PRO 12 Ca -0.18 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.08 1c89 n PRO 12 Cb 0.52 0.00 -0.02 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 -0.14 5.07 -0.84 0.52 1.09 -1.26 -3.72 121.20 121.92 1c89 s ILE 13 Ca 0.00 -1.01 -0.15 0.00 -1.10 0.00 0.00 60.65 58.39 1c89 s ILE 13 Cb 0.00 -3.78 0.02 0.00 -1.06 0.00 0.00 42.46 37.64 1c89 s ILE 13 CO 0.00 -0.31 0.53 -0.46 -0.10 0.00 0.00 174.94 174.60 1c89 n ASN 14 N -1.43 -3.64 -3.87 3.58 0.23 -0.64 -4.84 115.26 104.65 1c89 n ASN 14 Ca -0.08 -0.95 -0.14 0.00 -0.53 0.00 0.00 54.58 52.88 1c89 n ASN 14 Cb 0.57 -1.30 -0.15 0.00 -2.08 0.00 0.00 39.78 36.82 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 -3.30 0.11 -0.48 5.53 2.01 -1.26 -4.78 115.64 113.46 1c89 s THR 15 Ca 0.21 -0.01 -0.28 0.00 0.31 0.00 0.00 61.69 61.92 1c89 s THR 15 Cb -0.12 -0.13 0.00 0.00 0.01 0.00 0.00 72.50 72.27 1c89 s THR 15 CO 0.77 0.06 1.57 0.00 -0.69 0.00 0.00 174.62 176.32 1c89 s ALA 16 N 0.25 2.78 0.74 7.40 0.00 -1.25 -3.67 121.76 128.00 1c89 s ALA 16 Ca -0.02 -0.34 -0.16 0.00 0.00 0.00 0.00 51.96 51.44 1c89 s ALA 16 Cb -0.04 -4.08 -0.02 0.00 0.00 0.00 0.00 23.12 18.98 1c89 s ALA 16 CO -0.01 -2.89 0.62 1.28 0.00 0.00 0.00 175.76 174.77 1c89 n LEU 17 N 10.04 1.37 -4.55 0.00 4.77 -1.03 -4.32 117.00 123.28 1c89 n LEU 17 Ca 0.17 0.59 -0.25 0.00 -0.03 0.00 0.00 56.01 56.48 1c89 n LEU 17 Cb 0.49 -1.26 -0.10 0.00 -2.33 0.00 0.00 43.42 40.22 1c89 n LEU 17 CO 0.70 -2.90 -0.38 0.42 -1.33 0.00 0.00 177.39 173.89 1c89 s THR 18 N -1.94 2.39 0.26 -5.08 -4.23 -1.26 0.25 115.64 106.03 1c89 s THR 18 Ca 0.67 -2.19 -0.04 0.00 -1.18 0.00 0.00 61.69 58.95 1c89 s THR 18 Cb -0.34 -2.62 0.17 0.00 1.34 0.00 0.00 72.50 71.06 1c89 s THR 18 CO 0.57 -0.24 1.83 -0.07 -0.54 0.00 0.00 174.62 176.17 1c89 h LEU 19 N 2.02 0.94 -0.49 4.79 3.38 -1.95 -2.52 115.31 121.48 1c89 h LEU 19 Ca -0.42 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1c89 h LEU 19 Cb 1.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1c89 h LEU 19 CO 0.68 0.84 0.29 0.40 0.09 0.00 0.00 178.44 180.73 1c89 h ILE 20 N 1.01 1.16 0.00 1.22 2.04 -2.03 -1.53 117.51 119.38 1c89 h ILE 20 Ca 0.23 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1c89 h ILE 20 Cb 0.19 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1c89 h ILE 20 CO -0.02 0.17 0.00 0.24 0.00 0.00 0.00 178.15 178.54 1c89 h MET 21 N 0.66 0.00 -5.15 2.37 2.86 -1.90 -3.40 114.93 110.36 1c89 h MET 21 Ca 0.18 0.00 -0.65 0.00 -2.06 0.00 0.00 59.70 57.16 1c89 h MET 21 Cb 0.02 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 31.52 1c89 h MET 21 CO -0.03 0.00 -0.11 -1.64 1.06 0.00 0.00 176.91 176.19 1c89 s MET 22 N -3.69 3.55 -0.09 1.72 -1.94 -0.57 -2.00 119.30 116.27 1c89 s MET 22 Ca 0.00 -0.28 0.00 0.00 -1.71 0.00 0.00 55.69 53.71 1c89 s MET 22 Cb 0.10 -3.83 -0.03 0.00 2.01 0.00 0.00 34.83 33.08 1c89 s MET 22 CO 0.46 -0.65 -0.09 0.21 -0.01 0.00 0.00 175.02 174.95 1c89 s LYS 23 N 2.31 2.99 -1.29 2.03 2.20 -1.16 -4.91 119.74 121.91 1c89 s LYS 23 Ca 0.17 -0.59 -0.12 0.00 -0.36 0.00 0.00 55.97 55.06 1c89 s LYS 23 Cb -0.16 -2.62 0.14 0.00 -1.51 0.00 0.00 37.83 33.68 1c89 s LYS 23 CO 0.13 0.50 1.76 0.00 -0.36 0.00 0.00 175.35 177.39 1c89 n ALA 24 N 2.70 4.68 -2.79 3.13 0.00 -1.25 -1.50 120.51 125.47 1c89 n ALA 24 Ca -0.18 -4.18 -0.34 0.00 0.00 0.00 0.00 53.44 48.75 1c89 n ALA 24 Cb 0.53 -3.16 -0.05 0.00 0.00 0.00 0.00 19.45 16.77 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 1.64 3.54 -1.21 0.00 2.12 -0.89 -4.49 118.70 119.40 1c89 s GLU 25 Ca 0.43 -0.16 -0.16 0.00 0.36 0.00 0.00 54.97 55.45 1c89 s GLU 25 Cb 0.05 -3.06 0.13 0.00 0.26 0.00 0.00 34.13 31.52 1c89 s GLU 25 CO 0.00 0.63 1.52 0.08 -0.54 0.00 0.00 175.26 176.95 1c89 s VAL 26 N -1.36 4.67 0.23 3.70 1.01 -1.26 -0.51 120.40 126.88 1c89 s VAL 26 Ca 0.29 -2.26 0.03 0.00 0.00 0.00 0.00 61.98 60.05 1c89 s VAL 26 Cb -0.13 -5.01 -0.05 0.00 0.00 0.00 0.00 36.38 31.19 1c89 s VAL 26 CO 0.18 -1.76 -0.00 0.68 0.00 0.00 0.00 175.10 174.20 1c89 s VAL 27 N 2.66 1.01 0.26 2.92 -7.23 -1.26 -4.98 120.40 113.78 1c89 s VAL 27 Ca 0.46 -2.03 0.08 0.00 -1.81 0.00 0.00 61.98 58.68 1c89 s VAL 27 Cb -0.01 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 1c89 s VAL 27 CO 0.02 -0.32 0.11 0.42 -0.31 0.00 0.00 175.10 175.02 1c89 s THR 28 N -3.44 4.00 0.68 5.32 -4.23 -1.26 -4.08 115.64 112.63 1c89 s THR 28 Ca 0.28 -1.62 -0.11 0.00 -1.18 0.00 0.00 61.69 59.06 1c89 s THR 28 Cb 0.06 -3.16 -0.00 0.00 1.34 0.00 0.00 72.50 70.73 1c89 s THR 28 CO 0.09 -0.36 1.06 -2.16 -0.54 0.00 0.00 174.62 172.71 1c89 s PRO 29 N -3.78 3.03 -1.08 3.99 0.04 -1.26 -4.99 135.00 130.95 1c89 s PRO 29 Ca 0.32 0.97 -0.21 0.00 0.04 0.00 0.00 61.00 62.12 1c89 s PRO 29 Cb -0.07 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 1c89 s PRO 29 CO 0.23 -1.03 1.92 0.00 0.04 0.00 0.00 177.00 178.16 1c89 n MET 30 N -2.96 1.83 0.00 4.56 0.00 -1.26 -4.91 117.12 114.39 1c89 n MET 30 Ca 0.08 -2.38 0.00 0.00 0.00 0.00 0.00 57.70 55.40 1c89 n MET 30 Cb 0.53 -3.42 0.00 0.00 0.00 0.00 0.00 33.22 30.34 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 5.24 -3.42 3.72 3.17 0.00 -1.26 -4.81 105.19 107.82 1c89 n GLY 31 Ca 0.47 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 3.90 0.76 -0.61 1.01 -1.02 -4.91 121.20 120.33 1c89 s ILE 32 Ca 0.00 1.44 -0.13 0.00 0.00 0.00 0.00 60.65 61.97 1c89 s ILE 32 Cb 0.00 -3.92 0.18 0.00 0.01 0.00 0.00 42.46 38.73 1c89 s ILE 32 CO 0.00 0.16 0.79 -0.81 0.00 0.00 0.00 174.94 175.07 1c89 n PRO 33 N 3.39 -1.88 -0.88 2.79 -0.04 -1.26 -2.17 135.00 134.95 1c89 n PRO 33 Ca 0.07 -1.24 -0.10 0.00 -0.04 0.00 0.00 63.50 62.19 1c89 n PRO 33 Cb 0.46 -1.03 0.21 0.00 -0.04 0.00 0.00 33.50 33.10 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 -4.01 4.45 0.12 0.55 0.00 -1.26 -4.45 120.51 115.91 1c89 n ALA 34 Ca -0.14 -2.00 -0.13 0.00 0.00 0.00 0.00 53.44 51.16 1c89 n ALA 34 Cb 0.39 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 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 1.69 -0.29 -1.04 0.00 5.08 -1.97 -3.10 114.58 114.95 1c89 h GLU 35 Ca 0.32 0.02 -0.41 0.00 -1.00 0.00 0.00 59.36 58.29 1c89 h GLU 35 Cb 2.19 0.07 -0.23 0.00 0.50 0.00 0.00 28.75 31.27 1c89 h GLU 35 CO 0.70 0.03 0.52 0.39 -1.00 0.00 0.00 179.01 179.65 1c89 n GLU 36 N -5.08 1.99 -0.32 2.33 -0.58 -1.26 -4.65 120.64 113.06 1c89 n GLU 36 Ca -0.09 -2.30 -0.04 0.00 -0.42 0.00 0.00 57.16 54.31 1c89 n GLU 36 Cb 0.24 -1.90 0.00 0.00 -0.57 0.00 0.00 31.44 29.21 1c89 n GLU 36 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1c89 h ILE 37 N 0.79 0.05 0.00 -3.67 1.08 -1.82 2.23 117.51 116.16 1c89 h ILE 37 Ca 0.48 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.95 1c89 h ILE 37 Cb 2.19 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.99 1c89 h ILE 37 CO 0.89 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.54 1c89 n PRO 38 N -5.43 0.32 -0.10 2.37 -0.04 -1.26 -0.80 135.00 130.06 1c89 n PRO 38 Ca 0.06 0.09 -0.17 0.00 -0.04 0.00 0.00 63.50 63.45 1c89 n PRO 38 Cb 0.37 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.23 1c89 n PRO 38 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1c89 n ASN 39 N -1.19 2.20 -0.13 3.54 2.85 0.70 -4.48 115.26 118.74 1c89 n ASN 39 Ca 0.09 -0.02 0.13 0.00 -0.11 0.00 0.00 54.58 54.66 1c89 n ASN 39 Cb 0.10 -0.40 0.33 0.00 1.24 0.00 0.00 39.78 41.05 1c89 n ASN 39 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1c89 n LEU 40 N -3.31 0.77 -4.77 1.20 0.00 0.19 -4.82 117.00 106.27 1c89 n LEU 40 Ca -0.38 -0.14 -0.35 0.00 0.00 0.00 0.00 56.01 55.14 1c89 n LEU 40 Cb 0.87 -0.18 0.02 0.00 0.00 0.00 0.00 43.42 44.13 1c89 n LEU 40 CO 0.16 0.16 0.79 -0.69 0.00 0.00 0.00 177.39 177.81 1c89 s VAL 41 N -2.72 3.01 0.00 1.96 1.01 0.02 -2.52 120.40 121.16 1c89 s VAL 41 Ca 0.19 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1c89 s VAL 41 Cb 0.18 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1c89 s VAL 41 CO 0.60 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1c89 n GLY 42 N 0.15 0.30 3.77 4.51 0.00 0.70 -4.79 105.19 109.82 1c89 n GLY 42 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1c89 n GLY 42 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1c89 s MET 43 N -0.87 3.85 0.35 1.61 1.00 -1.05 -3.95 119.30 120.24 1c89 s MET 43 Ca 0.00 1.76 -0.25 0.00 0.00 0.00 0.00 55.69 57.21 1c89 s MET 43 Cb 0.00 -2.47 -0.10 0.00 0.00 0.00 0.00 34.83 32.26 1c89 s MET 43 CO 0.00 -0.47 0.95 -0.65 0.00 0.00 0.00 175.02 174.84 1c89 s GLN 44 N -2.61 4.49 0.35 2.03 -0.21 -1.26 -2.45 119.66 120.01 1c89 s GLN 44 Ca 0.62 1.28 0.07 0.00 0.02 0.00 0.00 55.36 57.35 1c89 s GLN 44 Cb -0.28 -2.64 -0.02 0.00 1.00 0.00 0.00 33.01 31.07 1c89 s GLN 44 CO 0.35 0.20 0.39 0.14 -2.12 0.00 0.00 175.29 174.24 1c89 s VAL 45 N -1.76 3.56 -0.70 1.09 -7.23 -1.24 -3.80 120.40 110.32 1c89 s VAL 45 Ca 0.53 -1.20 0.22 0.00 -1.81 0.00 0.00 61.98 59.72 1c89 s VAL 45 Cb -0.16 -3.22 -0.23 0.00 0.56 0.00 0.00 36.38 33.33 1c89 s VAL 45 CO 0.21 -0.13 0.84 0.59 -0.31 0.00 0.00 175.10 176.30 1c89 n ASN 46 N -1.53 0.67 -3.61 4.85 3.02 -1.25 -1.62 115.26 115.79 1c89 n ASN 46 Ca 0.00 -0.60 -0.14 0.00 -0.03 0.00 0.00 54.58 53.82 1c89 n ASN 46 Cb 0.59 1.19 -0.06 0.00 -0.61 0.00 0.00 39.78 40.89 1c89 n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1c89 s ARG 47 N -3.16 0.99 0.42 3.52 1.70 -1.26 -4.76 118.95 116.41 1c89 s ARG 47 Ca 0.03 -0.27 -0.26 0.00 -0.47 0.00 0.00 55.73 54.77 1c89 s ARG 47 Cb 0.15 0.45 -0.09 0.00 -0.57 0.00 0.00 34.95 34.90 1c89 s ARG 47 CO 0.86 -0.35 1.36 0.00 -1.08 0.00 0.00 175.30 176.09 1c89 s ALA 48 N -2.42 3.26 0.02 7.88 0.00 -1.24 -4.55 121.76 124.71 1c89 s ALA 48 Ca -0.05 1.34 0.06 0.00 0.00 0.00 0.00 51.96 53.30 1c89 s ALA 48 Cb -0.01 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1c89 s ALA 48 CO -0.02 -0.99 -0.14 0.08 0.00 0.00 0.00 175.76 174.70 1c89 s VAL 49 N -1.23 3.09 0.06 0.00 1.01 0.52 -4.94 120.40 118.90 1c89 s VAL 49 Ca 0.58 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1c89 s VAL 49 Cb -0.41 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.68 1c89 s VAL 49 CO 0.52 0.37 0.05 -0.81 0.00 0.00 0.00 175.10 175.24 1c89 n PRO 50 N 1.60 -1.02 -3.23 2.72 -0.04 -1.26 -0.01 135.00 133.75 1c89 n PRO 50 Ca -0.16 -0.09 -0.33 0.00 -0.04 0.00 0.00 63.50 62.89 1c89 n PRO 50 Cb 0.52 -0.08 -0.06 0.00 -0.04 0.00 0.00 33.50 33.85 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 4.13 -1.88 1.53 1.02 -1.26 -3.90 118.68 118.33 1c89 s LEU 51 Ca 0.03 1.17 0.00 0.00 0.02 0.00 0.00 54.13 55.36 1c89 s LEU 51 Cb -0.00 -3.88 0.00 0.00 0.02 0.00 0.00 46.19 42.33 1c89 s LEU 51 CO 0.03 -0.13 0.00 0.61 0.02 0.00 0.00 176.35 176.87 1c89 n GLY 52 N -0.15 0.10 3.63 -3.19 0.00 0.25 -4.92 105.19 100.91 1c89 n GLY 52 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.97 4.77 0.94 2.61 2.01 -0.64 -4.75 115.64 117.60 1c89 s THR 53 Ca 0.00 1.51 -0.10 0.00 0.31 0.00 0.00 61.69 63.41 1c89 s THR 53 Cb 0.00 -4.18 0.15 0.00 0.01 0.00 0.00 72.50 68.48 1c89 s THR 53 CO 0.00 -0.19 1.09 1.07 -0.69 0.00 0.00 174.62 175.90 1c89 n THR 54 N 5.43 0.00 -2.15 -0.82 5.66 -1.26 -1.48 114.28 119.65 1c89 n THR 54 Ca 0.06 -0.04 -0.33 0.00 -3.05 0.00 0.00 64.05 60.70 1c89 n THR 54 Cb 0.47 -0.97 -0.04 0.00 -1.55 0.00 0.00 70.33 68.24 1c89 n THR 54 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1c89 s LEU 55 N -6.28 3.25 0.30 1.09 1.98 -0.54 -4.77 118.68 113.70 1c89 s LEU 55 Ca 0.66 -0.50 -0.08 0.00 -2.89 0.00 0.00 54.13 51.32 1c89 s LEU 55 Cb -0.23 -2.55 -0.06 0.00 0.66 0.00 0.00 46.19 44.00 1c89 s LEU 55 CO 0.59 -2.41 0.61 -0.04 -1.89 0.00 0.00 176.35 173.22 1c89 s MET 56 N 6.64 3.74 -0.01 1.98 -1.94 -1.26 -2.44 119.30 126.01 1c89 s MET 56 Ca 0.63 0.23 -0.22 0.00 -1.71 0.00 0.00 55.69 54.62 1c89 s MET 56 Cb -0.07 -2.57 -0.20 0.00 2.01 0.00 0.00 34.83 33.99 1c89 s MET 56 CO 0.05 0.18 1.16 -1.00 -0.01 0.00 0.00 175.02 175.40 1c89 h PRO 57 N 1.88 0.26 0.00 2.03 0.13 -1.93 -2.40 132.00 131.98 1c89 h PRO 57 Ca -0.47 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1c89 h PRO 57 Cb 1.18 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1c89 h PRO 57 CO 0.66 0.86 0.00 0.38 -0.23 0.00 0.00 178.00 179.68 1c89 h ASP 58 N -0.27 0.00 1.06 1.44 3.04 -1.95 -2.85 116.42 116.88 1c89 h ASP 58 Ca -0.02 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.65 1c89 h ASP 58 Cb 0.91 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.18 1c89 h ASP 58 CO 0.05 0.00 -1.00 0.24 -2.04 0.00 0.00 179.24 176.49 1c89 h MET 59 N 0.00 0.00 -5.16 4.15 2.86 -1.96 -3.45 114.93 111.38 1c89 h MET 59 Ca 0.00 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.00 1c89 h MET 59 Cb 0.55 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 31.98 1c89 h MET 59 CO 0.00 0.34 -0.66 0.08 1.06 0.00 0.00 176.91 177.73 1c89 s VAL 60 N -2.98 3.97 0.00 -2.22 1.01 -0.91 -3.87 120.40 115.40 1c89 s VAL 60 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1c89 s VAL 60 Cb 0.08 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1c89 s VAL 60 CO 0.78 0.44 0.00 1.17 0.00 0.00 0.00 175.10 177.49 1c89 n LYS 61 N 4.09 0.00 -2.96 2.72 4.81 -1.25 -4.35 118.16 121.23 1c89 n LYS 61 Ca -0.17 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.83 1c89 n LYS 61 Cb 0.52 -0.35 -0.02 0.00 0.02 0.00 0.00 35.03 35.20 1c89 n LYS 61 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1c89 s ASN 62 N -1.96 6.65 0.11 3.14 -0.87 -1.26 -4.84 114.94 115.92 1c89 s ASN 62 Ca 0.00 -2.12 -0.30 0.00 -1.57 0.00 0.00 52.86 48.87 1c89 s ASN 62 Cb 0.00 -2.38 -0.10 0.00 -0.02 0.00 0.00 41.25 38.75 1c89 s ASN 62 CO 0.00 -1.01 1.61 1.88 -2.57 0.00 0.00 177.10 177.00 1c89 h TYR 63 N 8.70 -0.99 0.00 2.20 -1.99 -1.91 -3.44 116.97 119.55 1c89 h TYR 63 Ca 0.16 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.91 1c89 h TYR 63 Cb 1.02 0.41 0.00 0.00 2.00 0.00 0.00 36.73 40.16 1c89 h TYR 63 CO 1.15 -0.47 0.00 -0.85 -0.00 0.00 0.00 178.16 177.99 1c89 n GLU 64 N -5.44 0.00 -0.98 4.88 0.28 -1.26 -4.14 120.64 113.97 1c89 n GLU 64 Ca -0.07 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.78 1c89 n GLU 64 Cb 0.35 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.18 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1c89 n ASP 65 N 0.00 5.93 -1.02 -1.84 5.75 -1.26 -4.36 116.55 119.75 1c89 n ASP 65 Ca 0.00 -2.82 0.05 0.00 -0.01 0.00 0.00 54.79 52.01 1c89 n ASP 65 Cb 0.00 -1.21 0.20 0.00 -1.03 0.00 0.00 41.12 39.09 1c89 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1c89 n GLY 66 N 1.25 1.66 3.80 6.12 0.00 -1.26 -4.92 105.19 111.84 1c89 n GLY 66 Ca 0.31 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.73 3.81 0.00 2.61 -4.23 -1.26 -5.03 115.64 109.81 1c89 s THR 67 Ca 0.28 0.79 0.00 0.00 -1.18 0.00 0.00 61.69 61.58 1c89 s THR 67 Cb 0.19 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.67 1c89 s THR 67 CO 0.13 -0.58 0.00 0.41 -0.54 0.00 0.00 174.62 174.04 1c89 n THR 68 N -2.33 0.00 -2.48 3.99 -1.04 -1.26 -4.96 114.28 106.20 1c89 n THR 68 Ca 0.09 0.05 -0.43 0.00 -2.04 0.00 0.00 64.05 61.71 1c89 n THR 68 Cb 0.53 -0.89 -0.02 0.00 -1.82 0.00 0.00 70.33 68.13 1c89 n THR 68 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1c89 s SER 69 N -0.87 6.99 0.00 8.00 0.15 -1.26 -4.97 113.70 121.73 1c89 s SER 69 Ca 0.00 1.62 0.00 0.00 0.70 0.00 0.00 55.95 58.27 1c89 s SER 69 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1c89 s SER 69 CO 0.00 -0.73 0.00 -0.81 1.20 0.00 0.00 173.24 172.90 1c89 n PRO 70 N 6.49 0.00 0.00 5.44 -0.04 -1.26 -4.79 135.00 140.84 1c89 n PRO 70 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1c89 n PRO 70 Cb 0.45 -0.17 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 1.96 1.06 2.37 0.55 0.00 -1.26 -4.16 105.19 105.71 1c89 n GLY 71 Ca 0.00 0.34 -0.27 0.00 0.00 0.00 0.00 46.02 46.09 1c89 n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c89 n LEU 72 N 0.00 6.67 -4.63 0.99 4.77 -1.26 -4.93 117.00 118.60 1c89 n LEU 72 Ca 0.00 -4.05 -0.43 0.00 -0.03 0.00 0.00 56.01 51.50 1c89 n LEU 72 Cb 0.00 -1.32 -0.03 0.00 -2.33 0.00 0.00 43.42 39.75 1c89 n LEU 72 CO 0.00 1.81 1.39 -1.59 -1.33 0.00 0.00 177.39 177.67 1c89 s LYS 73 N -0.76 3.76 0.30 3.23 -2.85 -1.26 -4.19 119.74 117.96 1c89 s LYS 73 Ca 0.61 1.67 0.04 0.00 -1.00 0.00 0.00 55.97 57.28 1c89 s LYS 73 Cb 0.32 -4.05 -0.03 0.00 -2.06 0.00 0.00 37.83 32.01 1c89 s LYS 73 CO -0.14 -1.34 0.45 -1.12 0.10 0.00 0.00 175.35 173.30 1c89 s SER 74 N 4.42 6.23 -0.15 0.03 0.01 -0.30 -4.11 113.70 119.83 1c89 s SER 74 Ca 0.73 0.15 -0.25 0.00 1.31 0.00 0.00 55.95 57.88 1c89 s SER 74 Cb -0.25 -1.79 -0.02 0.00 0.21 0.00 0.00 66.02 64.17 1c89 s SER 74 CO 0.30 -0.23 0.82 -0.69 0.41 0.00 0.00 173.24 173.85 1c89 s VAL 75 N -2.14 4.90 -0.05 3.43 1.01 -1.05 0.15 120.40 126.65 1c89 s VAL 75 Ca 0.38 1.62 0.04 0.00 0.00 0.00 0.00 61.98 64.02 1c89 s VAL 75 Cb -0.09 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1c89 s VAL 75 CO 0.32 0.06 -0.16 -0.69 0.00 0.00 0.00 175.10 174.63 1c89 s VAL 76 N 1.92 1.35 -0.77 2.92 1.01 0.15 0.27 120.40 127.26 1c89 s VAL 76 Ca 0.39 -0.66 -0.26 0.00 0.00 0.00 0.00 61.98 61.45 1c89 s VAL 76 Cb -0.17 -1.18 0.04 0.00 0.00 0.00 0.00 36.38 35.07 1c89 s VAL 76 CO 0.14 0.40 1.25 0.00 0.00 0.00 0.00 175.10 176.88 1c89 s ALA 77 N 0.18 2.82 0.51 5.51 0.00 0.85 -0.15 121.76 131.48 1c89 s ALA 77 Ca -0.06 -1.58 0.32 0.00 0.00 0.00 0.00 51.96 50.63 1c89 s ALA 77 Cb -0.12 -4.22 1.77 0.00 0.00 0.00 0.00 23.12 20.54 1c89 s ALA 77 CO 0.03 -3.24 2.19 -0.97 0.00 0.00 0.00 175.76 173.77 1c89 h ASN 78 N 9.90 0.00 -5.36 0.00 -0.73 -1.78 -1.35 115.58 116.26 1c89 h ASN 78 Ca -0.21 0.00 -0.47 0.00 1.87 0.00 0.00 56.30 57.49 1c89 h ASN 78 Cb 1.05 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.60 1c89 h ASN 78 CO 1.28 0.05 -0.23 0.00 -0.37 0.00 0.00 177.43 178.16 1c89 n GLN 79 N -3.59 0.84 -3.19 6.67 1.13 -1.26 -3.45 117.38 114.53 1c89 n GLN 79 Ca -0.02 -2.80 -0.39 0.00 -1.94 0.00 0.00 57.00 51.85 1c89 n GLN 79 Cb 0.15 0.32 -0.06 0.00 0.11 0.00 0.00 30.24 30.77 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1c89 s LEU 80 N 0.00 4.45 -0.23 1.08 1.98 -1.26 -3.96 118.68 120.74 1c89 s LEU 80 Ca 0.24 1.23 0.01 0.00 -2.89 0.00 0.00 54.13 52.72 1c89 s LEU 80 Cb -0.02 -2.96 0.05 0.00 0.66 0.00 0.00 46.19 43.92 1c89 s LEU 80 CO 0.15 0.13 -0.09 -0.63 -1.89 0.00 0.00 176.35 174.02 1c89 s ILE 81 N -0.39 1.77 0.47 6.68 -1.09 -0.96 -4.98 121.20 122.69 1c89 s ILE 81 Ca 0.31 -1.24 -0.22 0.00 -2.23 0.00 0.00 60.65 57.27 1c89 s ILE 81 Cb -0.19 -1.90 -0.07 0.00 -1.58 0.00 0.00 42.46 38.72 1c89 s ILE 81 CO 0.18 0.05 1.12 -2.16 -1.23 0.00 0.00 174.94 172.90 1c89 s PRO 82 N 1.31 3.73 0.60 2.79 0.04 -1.26 -0.71 135.00 141.50 1c89 s PRO 82 Ca -0.05 1.64 -0.18 0.00 0.04 0.00 0.00 61.00 62.46 1c89 s PRO 82 Cb -0.18 -2.29 -0.12 0.00 0.04 0.00 0.00 34.50 31.95 1c89 s PRO 82 CO -0.07 -0.54 0.03 -0.89 0.04 0.00 0.00 177.00 175.57 1c89 n ILE 83 N -0.68 0.73 -3.44 0.56 5.41 -1.26 -3.20 119.36 117.49 1c89 n ILE 83 Ca 0.08 -0.49 -0.14 0.00 1.00 0.00 0.00 62.75 63.21 1c89 n ILE 83 Cb 0.50 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 39.18 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 1.80 -6.27 -3.52 4.38 5.03 0.18 -4.97 115.26 111.88 1c89 n ASN 84 Ca 0.08 -0.55 -0.26 0.00 0.87 0.00 0.00 54.58 54.71 1c89 n ASN 84 Cb 0.48 -3.51 -0.14 0.00 -1.02 0.00 0.00 39.78 35.60 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 -3.03 -0.14 -0.85 3.41 2.01 -1.19 -4.84 115.64 111.00 1c89 s THR 85 Ca 0.04 -0.64 -0.21 0.00 0.31 0.00 0.00 61.69 61.19 1c89 s THR 85 Cb -0.01 -0.94 -0.20 0.00 0.01 0.00 0.00 72.50 71.36 1c89 s THR 85 CO 0.83 -0.63 2.30 0.00 -0.69 0.00 0.00 174.62 176.43 1c89 n ALA 86 N 5.27 0.56 -1.93 7.40 0.00 -1.25 -4.14 120.51 126.42 1c89 n ALA 86 Ca -0.05 -1.26 -0.35 0.00 0.00 0.00 0.00 53.44 51.78 1c89 n ALA 86 Cb 0.44 -2.98 -0.06 0.00 0.00 0.00 0.00 19.45 16.84 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 10.42 4.15 0.00 0.00 2.34 -0.96 -4.65 118.68 129.98 1c89 s LEU 87 Ca 1.02 1.60 0.00 0.00 0.06 0.00 0.00 54.13 56.81 1c89 s LEU 87 Cb -0.33 -4.12 0.00 0.00 -0.56 0.00 0.00 46.19 41.18 1c89 s LEU 87 CO 0.23 -0.17 0.01 0.35 -1.06 0.00 0.00 176.35 175.70 1c89 n THR 88 N 0.01 0.00 0.14 5.48 -2.24 -1.26 0.18 114.28 116.59 1c89 n THR 88 Ca 0.03 -1.50 0.16 0.00 -2.27 0.00 0.00 64.05 60.47 1c89 n THR 88 Cb 0.52 0.29 0.73 0.00 -2.10 0.00 0.00 70.33 69.77 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 0.01 3.22 -0.00 -1.93 -2.25 115.31 114.35 1c89 h LEU 89 Ca -0.26 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.65 1c89 h LEU 89 Cb 0.80 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.42 1c89 h LEU 89 CO 0.44 0.00 -0.23 0.58 -0.00 0.00 0.00 178.44 179.22 1c89 h VAL 90 N 0.00 0.46 -0.06 0.15 2.07 -2.02 -0.94 116.25 115.92 1c89 h VAL 90 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1c89 h VAL 90 Cb 0.56 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1c89 h VAL 90 CO -0.00 0.00 0.00 0.23 0.02 0.00 0.00 177.57 177.82 1c89 n MET 91 N -5.36 1.35 -4.03 1.57 2.81 -0.90 -4.81 117.12 107.76 1c89 n MET 91 Ca -0.05 -0.52 -0.35 0.00 -1.81 0.00 0.00 57.70 54.96 1c89 n MET 91 Cb 0.27 -1.39 -0.08 0.00 -0.71 0.00 0.00 33.22 31.31 1c89 n MET 91 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1c89 s MET 92 N -1.93 3.57 -0.36 0.03 0.23 -0.36 -3.51 119.30 116.97 1c89 s MET 92 Ca 0.34 -0.27 0.01 0.00 -1.03 0.00 0.00 55.69 54.75 1c89 s MET 92 Cb 0.17 -3.12 0.11 0.00 -1.53 0.00 0.00 34.83 30.46 1c89 s MET 92 CO 0.28 0.56 0.13 0.15 -2.03 0.00 0.00 175.02 174.10 1c89 s LYS 93 N -0.42 1.12 -0.74 3.16 -0.14 0.79 -4.86 119.74 118.65 1c89 s LYS 93 Ca 0.10 -1.60 -0.26 0.00 -1.36 0.00 0.00 55.97 52.86 1c89 s LYS 93 Cb -0.12 -2.47 -0.03 0.00 -1.68 0.00 0.00 37.83 33.53 1c89 s LYS 93 CO 0.02 -1.02 1.88 0.00 -0.76 0.00 0.00 175.35 175.47 1c89 s ALA 94 N 1.02 1.97 -0.04 5.17 0.00 -1.25 -0.68 121.76 127.94 1c89 s ALA 94 Ca 0.12 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 51.08 1c89 s ALA 94 Cb -0.20 -4.42 -0.01 0.00 0.00 0.00 0.00 23.12 18.50 1c89 s ALA 94 CO -0.13 -4.28 -0.21 -1.83 0.00 0.00 0.00 175.76 169.31 1c89 s GLU 95 N 6.98 2.04 -0.65 0.00 -1.05 0.40 -4.66 118.70 121.76 1c89 s GLU 95 Ca 0.68 -0.75 -0.26 0.00 -0.15 0.00 0.00 54.97 54.49 1c89 s GLU 95 Cb -0.10 -1.79 -0.03 0.00 -0.44 0.00 0.00 34.13 31.77 1c89 s GLU 95 CO 0.11 0.34 1.91 -1.83 0.95 0.00 0.00 175.26 176.74 1c89 s GLU 96 N -0.15 2.57 0.21 -4.83 4.04 -1.26 -1.15 118.70 118.13 1c89 s GLU 96 Ca -0.01 0.53 -0.05 0.00 0.04 0.00 0.00 54.97 55.48 1c89 s GLU 96 Cb -0.12 -4.50 -0.03 0.00 0.02 0.00 0.00 34.13 29.51 1c89 s GLU 96 CO 0.02 -2.88 0.25 0.54 -1.84 0.00 0.00 175.26 171.35 1c89 s VAL 97 N 9.49 0.01 0.11 1.83 0.11 -1.26 -4.88 120.40 125.80 1c89 s VAL 97 Ca 0.70 -1.77 0.05 0.00 -2.93 0.00 0.00 61.98 58.02 1c89 s VAL 97 Cb -0.12 -2.36 -0.04 0.00 -1.53 0.00 0.00 36.38 32.33 1c89 s VAL 97 CO 0.18 -0.03 0.03 -0.94 -3.33 0.00 0.00 175.10 171.01 1c89 s SER 98 N -3.10 5.17 0.98 3.54 1.04 -1.26 -3.98 113.70 116.08 1c89 s SER 98 Ca 0.32 -0.16 -0.15 0.00 0.48 0.00 0.00 55.95 56.44 1c89 s SER 98 Cb 0.04 -1.27 0.18 0.00 0.10 0.00 0.00 66.02 65.08 1c89 s SER 98 CO 0.10 0.15 1.21 -2.16 0.98 0.00 0.00 173.24 173.52 1c89 s PRO 99 N -2.50 0.58 -0.92 4.02 0.04 -1.26 -4.79 135.00 130.18 1c89 s PRO 99 Ca 0.27 -0.07 -0.19 0.00 0.04 0.00 0.00 61.00 61.05 1c89 s PRO 99 Cb -0.11 -1.81 0.13 0.00 0.04 0.00 0.00 34.50 32.75 1c89 s PRO 99 CO 0.20 -2.51 1.13 0.15 0.04 0.00 0.00 177.00 176.01 1c89 s LYS 100 N -5.58 3.58 0.00 4.56 -0.14 -1.26 -4.96 119.74 115.95 1c89 s LYS 100 Ca 0.69 -1.71 0.00 0.00 -1.36 0.00 0.00 55.97 53.59 1c89 s LYS 100 Cb -0.09 -4.91 0.00 0.00 -1.68 0.00 0.00 37.83 31.15 1c89 s LYS 100 CO 0.53 -1.79 0.00 0.41 -0.76 0.00 0.00 175.35 173.74 1c89 n GLY 101 N 5.54 -0.40 3.49 -3.33 0.00 -1.26 -4.92 105.19 104.31 1c89 n GLY 101 Ca 0.23 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 3.72 0.68 -0.61 1.01 0.27 -4.73 121.20 121.54 1c89 s ILE 102 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 1c89 s ILE 102 Cb 0.00 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.88 1c89 s ILE 102 CO 0.00 0.52 1.07 -2.16 0.00 0.00 0.00 174.94 174.37 1c89 s PRO 103 N 0.12 2.92 -0.27 2.79 0.04 -1.26 -2.55 135.00 136.79 1c89 s PRO 103 Ca -0.02 1.08 -0.02 0.00 0.04 0.00 0.00 61.00 62.08 1c89 s PRO 103 Cb -0.14 -1.98 0.09 0.00 0.04 0.00 0.00 34.50 32.50 1c89 s PRO 103 CO 0.03 -1.12 2.41 0.43 0.04 0.00 0.00 177.00 178.79 1c89 n SER 104 N -2.86 6.17 0.08 6.66 7.64 -1.26 -4.34 113.62 125.71 1c89 n SER 104 Ca 0.08 -2.94 -0.14 0.00 1.01 0.00 0.00 58.87 56.88 1c89 n SER 104 Cb 0.53 -1.16 -0.14 0.00 -1.01 0.00 0.00 64.21 62.44 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 2.00 0.19 -0.01 1.43 4.11 -1.93 -3.36 114.58 117.01 1c89 h GLU 105 Ca 0.27 -0.33 0.00 0.00 0.07 0.00 0.00 59.36 59.37 1c89 h GLU 105 Cb 0.94 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1c89 h GLU 105 CO 0.62 1.10 -0.03 -0.85 0.07 0.00 0.00 179.01 179.93 1c89 n GLU 106 N -3.44 0.45 -0.36 1.06 0.28 -1.26 -4.65 120.64 112.71 1c89 n GLU 106 Ca -0.09 -0.70 0.30 0.00 -0.16 0.00 0.00 57.16 56.50 1c89 n GLU 106 Cb 1.01 -1.05 0.60 0.00 1.43 0.00 0.00 31.44 33.44 1c89 n GLU 106 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 1c89 h ILE 107 N 0.87 0.39 -0.99 3.84 6.09 -1.81 0.45 117.51 126.35 1c89 h ILE 107 Ca 0.00 -0.08 0.26 0.00 -1.37 0.00 0.00 64.86 63.67 1c89 h ILE 107 Cb 0.20 0.15 -0.07 0.00 0.47 0.00 0.00 36.82 37.57 1c89 h ILE 107 CO 0.00 0.04 0.67 -1.28 -3.07 0.00 0.00 178.15 174.51 1c89 h SER 108 N 0.22 0.27 0.42 2.19 0.87 -1.83 0.46 113.55 116.15 1c89 h SER 108 Ca 0.65 0.04 -0.23 0.00 -1.23 0.00 0.00 61.79 61.02 1c89 h SER 108 Cb 1.99 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 63.90 1c89 h SER 108 CO -0.25 0.08 -1.77 0.29 -0.53 0.00 0.00 176.83 174.64 1c89 n LYS 109 N -4.45 0.64 -0.34 2.24 5.02 0.15 -4.00 118.16 117.43 1c89 n LYS 109 Ca 0.22 0.14 0.07 0.00 -2.02 0.00 0.00 58.31 56.72 1c89 n LYS 109 Cb 0.90 -1.71 0.23 0.00 -0.02 0.00 0.00 35.03 34.43 1c89 n LYS 109 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1c89 n LEU 110 N -2.83 3.01 -4.72 -0.35 4.77 0.15 -4.92 117.00 112.11 1c89 n LEU 110 Ca -0.16 -1.51 -0.42 0.00 -0.03 0.00 0.00 56.01 53.89 1c89 n LEU 110 Cb 0.94 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1c89 n LEU 110 CO 0.44 0.61 1.21 -0.69 -1.33 0.00 0.00 177.39 177.62 1c89 s VAL 111 N -1.57 2.69 -0.29 4.08 1.01 0.14 -1.71 120.40 124.76 1c89 s VAL 111 Ca 0.33 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1c89 s VAL 111 Cb 0.20 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1c89 s VAL 111 CO 0.19 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1c89 n GLY 112 N 3.68 0.60 3.78 4.51 0.00 0.48 -4.91 105.19 113.33 1c89 n GLY 112 Ca 0.13 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.92 4.18 -0.12 1.61 0.00 -0.69 -4.27 119.30 118.08 1c89 s MET 113 Ca 0.00 1.58 -0.22 0.00 0.00 0.00 0.00 55.69 57.05 1c89 s MET 113 Cb 0.00 -2.61 -0.03 0.00 0.00 0.00 0.00 34.83 32.19 1c89 s MET 113 CO 0.00 -0.14 0.68 -0.65 0.00 0.00 0.00 175.02 174.90 1c89 s GLN 114 N -2.38 4.35 0.36 3.16 -0.21 -1.26 -2.27 119.66 121.41 1c89 s GLN 114 Ca 0.57 0.78 -0.10 0.00 0.02 0.00 0.00 55.36 56.63 1c89 s GLN 114 Cb -0.24 -3.50 -0.06 0.00 1.00 0.00 0.00 33.01 30.21 1c89 s GLN 114 CO 0.30 -0.06 0.71 0.54 -2.12 0.00 0.00 175.29 174.66 1c89 s VAL 115 N 1.27 4.83 -2.67 1.09 0.11 -1.26 -4.83 120.40 118.95 1c89 s VAL 115 Ca 0.34 0.52 0.23 0.00 -2.93 0.00 0.00 61.98 60.14 1c89 s VAL 115 Cb -0.17 -3.72 0.14 0.00 -1.53 0.00 0.00 36.38 31.10 1c89 s VAL 115 CO 0.14 -0.43 1.19 -3.20 -3.33 0.00 0.00 175.10 169.47 1c89 n ASN 116 N -1.09 2.70 -4.49 3.54 4.05 -1.26 -0.65 115.26 118.07 1c89 n ASN 116 Ca 0.02 -1.85 -0.23 0.00 0.45 0.00 0.00 54.58 52.96 1c89 n ASN 116 Cb 0.54 0.11 -0.11 0.00 1.23 0.00 0.00 39.78 41.55 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 -2.02 1.69 0.35 1.20 1.81 -1.26 -4.68 118.95 116.04 1c89 s ARG 117 Ca 0.25 -1.91 -0.19 0.00 -1.72 0.00 0.00 55.73 52.16 1c89 s ARG 117 Cb 0.19 -1.20 -0.10 0.00 -0.45 0.00 0.00 34.95 33.39 1c89 s ARG 117 CO 0.35 -0.05 0.84 0.00 -0.68 0.00 0.00 175.30 175.76 1c89 s ALA 118 N -3.01 3.21 -0.01 2.13 0.00 -1.26 -4.02 121.76 118.81 1c89 s ALA 118 Ca 0.33 0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.59 1c89 s ALA 118 Cb 0.07 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 1c89 s ALA 118 CO 0.15 0.24 -0.15 0.08 0.00 0.00 0.00 175.76 176.08 1c89 s VAL 119 N -1.96 1.16 0.00 0.00 1.01 0.11 -4.90 120.40 115.83 1c89 s VAL 119 Ca 0.55 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1c89 s VAL 119 Cb -0.11 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.29 1c89 s VAL 119 CO 0.17 0.30 0.00 -1.22 0.00 0.00 0.00 175.10 174.35 1c89 n TYR 120 N 2.64 -2.55 0.00 5.22 4.01 -1.26 -2.28 117.16 122.94 1c89 n TYR 120 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1c89 n TYR 120 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 1c89 n TYR 120 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1c89 n LEU 121 N 0.00 0.00 -4.36 7.72 -0.00 -1.25 -4.06 117.00 115.05 1c89 n LEU 121 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1c89 n LEU 121 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 1c89 n LEU 121 CO 0.00 0.00 1.28 -0.90 -0.00 0.00 0.00 177.39 177.77 1c89 n ASP 122 N 0.00 -0.31 -4.39 1.96 5.68 -0.55 -4.49 116.55 114.46 1c89 n ASP 122 Ca 0.00 -1.54 -0.31 0.00 -0.50 0.00 0.00 54.79 52.44 1c89 n ASP 122 Cb 0.00 -1.09 -0.14 0.00 -1.14 0.00 0.00 41.12 38.75 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1c89 s GLN 123 N 7.10 2.00 -0.20 0.11 2.00 -0.96 -4.68 119.66 125.03 1c89 s GLN 123 Ca 0.67 -1.00 -0.29 0.00 -2.00 0.00 0.00 55.36 52.73 1c89 s GLN 123 Cb -0.22 -2.09 0.00 0.00 0.80 0.00 0.00 33.01 31.51 1c89 s GLN 123 CO 0.19 0.54 1.08 0.99 -0.50 0.00 0.00 175.29 177.59 1c89 s THR 124 N -0.80 4.60 0.12 -0.34 2.01 -1.26 -0.11 115.64 119.87 1c89 s THR 124 Ca 0.12 1.93 -0.31 0.00 0.31 0.00 0.00 61.69 63.74 1c89 s THR 124 Cb -0.10 -4.24 -0.10 0.00 0.01 0.00 0.00 72.50 68.07 1c89 s THR 124 CO 0.02 -0.15 1.72 -0.22 -0.69 0.00 0.00 174.62 175.31 1c89 s LEU 125 N 3.10 4.38 0.27 4.42 2.96 0.14 -4.81 118.68 129.14 1c89 s LEU 125 Ca 0.47 2.67 0.07 0.00 -0.22 0.00 0.00 54.13 57.12 1c89 s LEU 125 Cb -0.17 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.89 1c89 s LEU 125 CO 0.09 -0.94 -0.07 -0.04 -1.32 0.00 0.00 176.35 174.08 1c89 s MET 126 N 2.26 1.53 0.41 1.98 -1.94 -1.26 0.97 119.30 123.25 1c89 s MET 126 Ca 0.76 -1.77 0.22 0.00 -1.71 0.00 0.00 55.69 53.19 1c89 s MET 126 Cb -0.44 -1.17 0.74 0.00 2.01 0.00 0.00 34.83 35.97 1c89 s MET 126 CO 0.34 0.06 1.75 -1.00 -0.01 0.00 0.00 175.02 176.16 1c89 h PRO 127 N 2.30 0.00 0.00 2.03 0.13 -1.91 -2.95 132.00 131.61 1c89 h PRO 127 Ca -0.40 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.67 1c89 h PRO 127 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1c89 h PRO 127 CO 0.66 0.29 -0.28 0.38 -0.23 0.00 0.00 178.00 178.83 1c89 h ASP 128 N 0.00 0.00 0.48 1.44 3.04 -1.99 -3.06 116.42 116.33 1c89 h ASP 128 Ca -0.00 0.00 -0.30 0.00 -3.24 0.00 0.00 57.03 53.49 1c89 h ASP 128 Cb 0.87 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 39.18 1c89 h ASP 128 CO 0.04 0.28 -1.36 -0.03 -2.04 0.00 0.00 179.24 176.12 1c89 h MET 129 N 0.00 0.37 -5.80 4.15 4.05 -1.94 -3.43 114.93 112.34 1c89 h MET 129 Ca -0.00 -0.64 -0.60 0.00 -0.28 0.00 0.00 59.70 58.18 1c89 h MET 129 Cb 0.75 0.24 -0.10 0.00 -0.80 0.00 0.00 31.60 31.68 1c89 h MET 129 CO 0.04 1.30 0.41 0.08 0.23 0.00 0.00 176.91 178.96 1c89 s VAL 130 N -2.63 4.77 -0.44 -5.77 1.01 -1.16 -4.22 120.40 111.95 1c89 s VAL 130 Ca -0.06 1.14 0.23 0.00 0.00 0.00 0.00 61.98 63.29 1c89 s VAL 130 Cb 0.06 -4.17 0.21 0.00 0.00 0.00 0.00 36.38 32.48 1c89 s VAL 130 CO 0.90 -0.30 1.45 0.11 0.00 0.00 0.00 175.10 177.26 1c89 h LYS 131 N 8.20 0.00 -0.60 2.72 1.79 -1.84 -3.27 116.57 123.57 1c89 h LYS 131 Ca -0.24 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 57.94 1c89 h LYS 131 Cb 1.09 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.58 1c89 h LYS 131 CO 0.90 0.00 0.21 -1.71 -1.08 0.00 0.00 179.45 177.76 1c89 n ASN 132 N -2.77 3.26 -4.71 0.86 5.15 -1.26 -5.02 115.26 110.78 1c89 n ASN 132 Ca 0.03 -3.61 -0.30 0.00 -0.60 0.00 0.00 54.58 50.10 1c89 n ASN 132 Cb 0.51 -0.71 0.14 0.00 -0.53 0.00 0.00 39.78 39.19 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1c89 s TYR 133 N -3.21 2.15 -2.42 1.20 5.04 -1.24 -5.18 117.35 113.70 1c89 s TYR 133 Ca 0.50 1.50 0.29 0.00 -2.44 0.00 0.00 57.07 56.91 1c89 s TYR 133 Cb 0.43 -3.16 1.19 0.00 0.35 0.00 0.00 41.96 40.77 1c89 s TYR 133 CO 0.06 -2.41 1.83 0.39 -1.34 0.00 0.00 175.55 174.07