#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 -0.73 -2.58 -3.83 4.01 -1.26 -5.02 118.16 108.75 1c89 n LYS 2 Ca 0.00 -1.30 -0.34 0.00 -0.51 0.00 0.00 58.31 56.16 1c89 n LYS 2 Cb 0.00 -0.81 -0.04 0.00 -0.51 0.00 0.00 35.03 33.67 1c89 n LYS 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1c89 s ALA 3 N -3.91 2.92 0.50 7.82 0.00 -1.26 -4.68 121.76 123.15 1c89 s ALA 3 Ca 0.46 0.60 0.07 0.00 0.00 0.00 0.00 51.96 53.09 1c89 s ALA 3 Cb -0.01 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.89 1c89 s ALA 3 CO 0.32 -0.24 0.50 0.45 0.00 0.00 0.00 175.76 176.79 1c89 s SER 4 N -1.94 4.96 -0.64 0.00 0.15 0.73 -3.93 113.70 113.03 1c89 s SER 4 Ca 0.65 -0.92 -0.26 0.00 0.70 0.00 0.00 55.95 56.12 1c89 s SER 4 Cb -0.16 -0.03 0.04 0.00 -1.71 0.00 0.00 66.02 64.16 1c89 s SER 4 CO 0.20 -0.98 1.14 -0.69 1.20 0.00 0.00 173.24 174.11 1c89 s VAL 5 N -2.61 4.03 -0.28 4.45 1.01 -0.87 -2.26 120.40 123.88 1c89 s VAL 5 Ca 0.47 0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 1c89 s VAL 5 Cb -0.04 -4.75 0.04 0.00 0.00 0.00 0.00 36.38 31.63 1c89 s VAL 5 CO 0.29 -1.50 -0.03 -0.69 0.00 0.00 0.00 175.10 173.16 1c89 s VAL 6 N 4.90 2.88 0.25 2.92 1.01 0.93 -0.41 120.40 132.88 1c89 s VAL 6 Ca 0.34 -1.27 -0.31 0.00 0.00 0.00 0.00 61.98 60.74 1c89 s VAL 6 Cb -0.10 -2.59 -0.14 0.00 0.00 0.00 0.00 36.38 33.55 1c89 s VAL 6 CO 0.18 0.01 1.32 0.00 0.00 0.00 0.00 175.10 176.62 1c89 n ALA 7 N 4.62 0.76 -0.03 5.51 0.00 0.16 -2.04 120.51 129.49 1c89 n ALA 7 Ca -0.14 0.41 -0.18 0.00 0.00 0.00 0.00 53.44 53.52 1c89 n ALA 7 Cb 0.45 -2.22 -0.13 0.00 0.00 0.00 0.00 19.45 17.55 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 3.69 0.19 -5.03 0.00 -1.24 -0.22 0.41 115.58 113.38 1c89 h ASN 8 Ca -0.44 -0.87 -0.36 0.00 0.71 0.00 0.00 56.30 55.34 1c89 h ASN 8 Cb 1.29 -0.06 0.06 0.00 0.73 0.00 0.00 38.32 40.34 1c89 h ASN 8 CO 0.72 1.31 0.09 0.00 -1.29 0.00 0.00 177.43 178.26 1c89 n GLN 9 N -4.32 0.06 -3.12 6.67 10.64 -1.26 -2.76 117.38 123.29 1c89 n GLN 9 Ca -0.18 -2.10 -0.40 0.00 -1.83 0.00 0.00 57.00 52.48 1c89 n GLN 9 Cb 0.69 -0.51 -0.06 0.00 -0.86 0.00 0.00 30.24 29.50 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 4.12 -0.22 2.61 0.20 -1.26 -3.99 118.68 120.15 1c89 s LEU 10 Ca 0.51 0.80 -0.06 0.00 0.69 0.00 0.00 54.13 56.06 1c89 s LEU 10 Cb -0.03 -2.87 -0.03 0.00 -0.43 0.00 0.00 46.19 42.83 1c89 s LEU 10 CO 0.34 -0.29 0.04 -0.63 -0.29 0.00 0.00 176.35 175.52 1c89 s ILE 11 N 2.05 4.25 0.00 6.68 -1.09 0.56 -4.92 121.20 128.72 1c89 s ILE 11 Ca 0.28 -0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 1c89 s ILE 11 Cb -0.16 -2.95 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 1c89 s ILE 11 CO 0.10 0.40 0.00 -0.81 -1.23 0.00 0.00 174.94 173.39 1c89 n PRO 12 N 4.39 1.01 -2.21 2.79 -0.04 -1.26 0.95 135.00 140.63 1c89 n PRO 12 Ca -0.17 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.99 1c89 n PRO 12 Cb 0.52 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 0.00 4.74 -0.74 0.52 -1.09 -1.26 -4.21 121.20 119.17 1c89 s ILE 13 Ca 0.00 0.73 -0.07 0.00 -2.23 0.00 0.00 60.65 59.08 1c89 s ILE 13 Cb 0.00 -3.84 0.01 0.00 -1.58 0.00 0.00 42.46 37.05 1c89 s ILE 13 CO 0.00 -0.97 0.63 0.59 -1.23 0.00 0.00 174.94 173.96 1c89 n ASN 14 N -2.36 -5.55 -3.62 3.58 3.02 -0.67 -4.91 115.26 104.74 1c89 n ASN 14 Ca 0.04 -0.64 -0.26 0.00 -0.03 0.00 0.00 54.58 53.69 1c89 n ASN 14 Cb 0.54 -2.41 -0.17 0.00 -0.61 0.00 0.00 39.78 37.14 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 -2.74 0.00 -0.87 3.41 2.01 -1.26 -4.88 115.64 111.31 1c89 s THR 15 Ca 0.07 -0.26 -0.25 0.00 0.31 0.00 0.00 61.69 61.56 1c89 s THR 15 Cb -0.01 -0.66 -0.10 0.00 0.01 0.00 0.00 72.50 71.74 1c89 s THR 15 CO 0.87 -0.30 2.18 0.00 -0.69 0.00 0.00 174.62 176.68 1c89 s ALA 16 N 2.10 1.13 0.47 7.40 0.00 -1.25 -4.12 121.76 127.49 1c89 s ALA 16 Ca 0.02 -1.19 -0.20 0.00 0.00 0.00 0.00 51.96 50.59 1c89 s ALA 16 Cb -0.16 -4.58 -0.13 0.00 0.00 0.00 0.00 23.12 18.25 1c89 s ALA 16 CO -0.11 -5.48 0.27 1.28 0.00 0.00 0.00 175.76 171.72 1c89 n LEU 17 N 16.58 -1.43 -4.47 0.00 4.77 -1.08 -4.12 117.00 127.26 1c89 n LEU 17 Ca 0.44 0.79 -0.24 0.00 -0.03 0.00 0.00 56.01 56.96 1c89 n LEU 17 Cb 0.45 -1.01 -0.10 0.00 -2.33 0.00 0.00 43.42 40.43 1c89 n LEU 17 CO 0.57 -3.71 -0.45 0.42 -1.33 0.00 0.00 177.39 172.90 1c89 s THR 18 N -1.71 2.30 0.58 -5.08 -4.23 -1.26 0.21 115.64 106.45 1c89 s THR 18 Ca 0.62 -2.33 0.28 0.00 -1.18 0.00 0.00 61.69 59.08 1c89 s THR 18 Cb -0.55 -2.36 0.37 0.00 1.34 0.00 0.00 72.50 71.30 1c89 s THR 18 CO 0.60 -0.37 2.03 -0.07 -0.54 0.00 0.00 174.62 176.28 1c89 h LEU 19 N 2.24 0.00 0.36 4.79 3.38 -1.94 -0.80 115.31 123.34 1c89 h LEU 19 Ca -0.40 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 1c89 h LEU 19 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1c89 h LEU 19 CO 0.63 0.00 -0.17 0.40 0.09 0.00 0.00 178.44 179.39 1c89 h ILE 20 N 0.00 0.66 -0.00 1.22 1.08 -2.01 -2.78 117.51 115.68 1c89 h ILE 20 Ca 0.14 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1c89 h ILE 20 Cb 0.73 0.81 0.00 0.00 -3.07 0.00 0.00 36.82 35.29 1c89 h ILE 20 CO -0.00 0.06 -0.02 0.23 -0.69 0.00 0.00 178.15 177.72 1c89 n MET 21 N -5.23 0.93 -3.21 2.37 2.81 -0.81 -4.72 117.12 109.26 1c89 n MET 21 Ca -0.10 -0.19 -0.42 0.00 -1.81 0.00 0.00 57.70 55.17 1c89 n MET 21 Cb 0.25 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.19 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 -2.20 3.38 -0.09 0.03 0.00 -0.37 0.55 119.30 120.60 1c89 s MET 22 Ca 0.39 -0.37 0.00 0.00 0.00 0.00 0.00 55.69 55.72 1c89 s MET 22 Cb 0.21 -3.90 -0.03 0.00 0.00 0.00 0.00 34.83 31.12 1c89 s MET 22 CO 0.40 -0.83 -0.08 0.15 0.00 0.00 0.00 175.02 174.66 1c89 s LYS 23 N 2.50 2.96 -1.16 4.11 -0.14 -0.86 -4.87 119.74 122.27 1c89 s LYS 23 Ca 0.19 -0.58 -0.08 0.00 -1.36 0.00 0.00 55.97 54.14 1c89 s LYS 23 Cb -0.15 -2.62 0.25 0.00 -1.68 0.00 0.00 37.83 33.62 1c89 s LYS 23 CO 0.15 0.52 1.54 0.00 -0.76 0.00 0.00 175.35 176.81 1c89 n ALA 24 N 2.65 4.95 -2.84 5.17 0.00 -1.26 -0.05 120.51 129.12 1c89 n ALA 24 Ca -0.18 -4.57 -0.30 0.00 0.00 0.00 0.00 53.44 48.39 1c89 n ALA 24 Cb 0.53 -2.64 -0.05 0.00 0.00 0.00 0.00 19.45 17.28 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 -1.09 3.13 -0.64 0.00 2.12 -0.96 -4.55 118.70 116.72 1c89 s GLU 25 Ca 0.35 -0.61 -0.23 0.00 0.36 0.00 0.00 54.97 54.84 1c89 s GLU 25 Cb 0.03 -2.85 0.07 0.00 0.26 0.00 0.00 34.13 31.64 1c89 s GLU 25 CO 0.03 0.57 0.94 0.08 -0.54 0.00 0.00 175.26 176.35 1c89 s VAL 26 N -1.50 4.36 0.10 3.70 1.01 -1.26 -0.19 120.40 126.62 1c89 s VAL 26 Ca 0.32 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 1c89 s VAL 26 Cb -0.12 -4.64 -0.04 0.00 0.00 0.00 0.00 36.38 31.57 1c89 s VAL 26 CO 0.25 -1.37 -0.01 0.68 0.00 0.00 0.00 175.10 174.64 1c89 s VAL 27 N 3.97 0.35 0.09 2.92 -7.23 -1.26 -4.95 120.40 114.28 1c89 s VAL 27 Ca 0.23 -1.88 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1c89 s VAL 27 Cb -0.16 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 1c89 s VAL 27 CO 0.12 -0.77 0.20 0.28 -0.31 0.00 0.00 175.10 174.62 1c89 s THR 28 N -3.86 5.18 0.68 5.32 -1.32 -1.26 -3.74 115.64 116.63 1c89 s THR 28 Ca 0.15 -0.57 -0.11 0.00 -1.21 0.00 0.00 61.69 59.94 1c89 s THR 28 Cb 0.07 -3.57 -0.00 0.00 -1.51 0.00 0.00 72.50 67.49 1c89 s THR 28 CO -0.04 0.06 1.05 -2.16 -2.21 0.00 0.00 174.62 171.32 1c89 s PRO 29 N -2.72 3.10 -1.17 7.08 0.04 -1.26 -5.01 135.00 135.06 1c89 s PRO 29 Ca 0.34 0.91 -0.22 0.00 0.04 0.00 0.00 61.00 62.06 1c89 s PRO 29 Cb -0.12 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 1c89 s PRO 29 CO 0.27 -0.97 1.91 -1.64 0.04 0.00 0.00 177.00 176.61 1c89 s MET 30 N -5.06 2.65 0.00 4.56 -1.94 -1.25 -4.91 119.30 113.35 1c89 s MET 30 Ca 0.57 -1.16 0.00 0.00 -1.71 0.00 0.00 55.69 53.39 1c89 s MET 30 Cb -0.13 -5.26 0.00 0.00 2.01 0.00 0.00 34.83 31.45 1c89 s MET 30 CO 0.54 -3.75 0.00 0.41 -0.01 0.00 0.00 175.02 172.22 1c89 n GLY 31 N 5.88 -2.32 3.75 -0.03 0.00 -1.26 -4.90 105.19 106.31 1c89 n GLY 31 Ca 0.45 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 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 4.19 0.80 -0.61 1.01 -1.02 -4.95 121.20 120.62 1c89 s ILE 32 Ca 0.00 2.04 -0.11 0.00 0.00 0.00 0.00 60.65 62.57 1c89 s ILE 32 Cb 0.00 -4.30 0.07 0.00 0.01 0.00 0.00 42.46 38.24 1c89 s ILE 32 CO 0.00 0.47 1.09 -2.16 0.00 0.00 0.00 174.94 174.34 1c89 s PRO 33 N -0.96 2.04 -0.02 2.79 0.04 -1.26 -2.04 135.00 135.59 1c89 s PRO 33 Ca 0.41 0.82 0.09 0.00 0.04 0.00 0.00 61.00 62.37 1c89 s PRO 33 Cb -0.25 -1.90 0.30 0.00 0.04 0.00 0.00 34.50 32.69 1c89 s PRO 33 CO 0.31 -1.70 1.20 0.00 0.04 0.00 0.00 177.00 176.85 1c89 n ALA 34 N -3.51 2.59 -0.01 8.56 0.00 -1.25 -4.34 120.51 122.55 1c89 n ALA 34 Ca 0.07 -0.62 -0.09 0.00 0.00 0.00 0.00 53.44 52.80 1c89 n ALA 34 Cb 0.55 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 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 1.86 -0.27 -2.35 0.00 4.57 -1.92 -2.45 114.58 114.03 1c89 h GLU 35 Ca 0.00 0.02 -0.70 0.00 -1.18 0.00 0.00 59.36 57.50 1c89 h GLU 35 Cb 0.58 0.06 -0.17 0.00 -0.16 0.00 0.00 28.75 29.06 1c89 h GLU 35 CO 0.05 -0.18 1.57 0.39 -1.18 0.00 0.00 179.01 179.66 1c89 n GLU 36 N -5.36 4.08 0.15 1.92 -0.58 -1.26 -4.66 120.64 114.93 1c89 n GLU 36 Ca -0.02 -3.41 -0.00 0.00 -0.42 0.00 0.00 57.16 53.30 1c89 n GLU 36 Cb 0.27 -2.46 0.23 0.00 -0.57 0.00 0.00 31.44 28.92 1c89 n GLU 36 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1c89 h ILE 37 N 2.33 1.38 0.00 -3.67 6.09 -1.75 -0.79 117.51 121.10 1c89 h ILE 37 Ca 0.59 -1.81 0.00 0.00 -1.37 0.00 0.00 64.86 62.27 1c89 h ILE 37 Cb 0.39 1.96 0.00 0.00 0.47 0.00 0.00 36.82 39.64 1c89 h ILE 37 CO 1.27 0.52 0.00 -0.81 -3.07 0.00 0.00 178.15 176.06 1c89 n PRO 38 N -3.91 0.05 -0.10 2.19 -0.04 -1.26 -1.04 135.00 130.89 1c89 n PRO 38 Ca -0.01 0.08 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 1c89 n PRO 38 Cb 0.54 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.47 2.12 -0.31 3.54 2.85 -0.98 -4.42 115.26 116.59 1c89 n ASN 39 Ca 0.07 -0.08 0.13 0.00 -0.11 0.00 0.00 54.58 54.59 1c89 n ASN 39 Cb 0.27 -0.04 0.43 0.00 1.24 0.00 0.00 39.78 41.68 1c89 n ASN 39 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1c89 n LEU 40 N -2.97 1.15 -4.77 1.20 4.77 -0.34 -4.85 117.00 111.19 1c89 n LEU 40 Ca -0.33 -0.32 -0.35 0.00 -0.03 0.00 0.00 56.01 54.97 1c89 n LEU 40 Cb 0.91 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.94 1c89 n LEU 40 CO 0.23 0.21 0.79 -0.69 -1.33 0.00 0.00 177.39 176.60 1c89 s VAL 41 N -2.35 2.99 0.00 4.08 1.01 -0.20 -2.52 120.40 123.41 1c89 s VAL 41 Ca 0.29 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1c89 s VAL 41 Cb 0.20 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1c89 s VAL 41 CO 0.46 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1c89 n GLY 42 N 0.14 0.14 3.74 4.51 0.00 0.56 -4.87 105.19 109.41 1c89 n GLY 42 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.37 4.42 -0.03 1.61 1.00 -1.05 -3.98 119.30 119.90 1c89 s MET 43 Ca 0.00 2.00 -0.19 0.00 0.00 0.00 0.00 55.69 57.50 1c89 s MET 43 Cb 0.00 -3.21 -0.05 0.00 0.00 0.00 0.00 34.83 31.57 1c89 s MET 43 CO 0.00 -0.20 0.55 -0.65 0.00 0.00 0.00 175.02 174.72 1c89 s GLN 44 N -0.18 4.28 0.41 2.03 -0.21 -1.26 -2.63 119.66 122.10 1c89 s GLN 44 Ca 0.55 0.63 -0.02 0.00 0.02 0.00 0.00 55.36 56.54 1c89 s GLN 44 Cb -0.35 -3.35 -0.03 0.00 1.00 0.00 0.00 33.01 30.27 1c89 s GLN 44 CO 0.38 0.35 0.66 0.14 -2.12 0.00 0.00 175.29 174.70 1c89 s VAL 45 N -0.08 5.00 -2.64 1.09 -7.23 -1.26 -4.80 120.40 110.48 1c89 s VAL 45 Ca 0.29 -0.15 0.23 0.00 -1.81 0.00 0.00 61.98 60.54 1c89 s VAL 45 Cb -0.17 -3.86 0.28 0.00 0.56 0.00 0.00 36.38 33.19 1c89 s VAL 45 CO 0.15 -0.70 1.29 0.59 -0.31 0.00 0.00 175.10 176.13 1c89 n ASN 46 N -2.01 3.13 -4.29 4.85 3.02 -1.13 -1.67 115.26 117.16 1c89 n ASN 46 Ca -0.02 -1.96 -0.17 0.00 -0.03 0.00 0.00 54.58 52.39 1c89 n ASN 46 Cb 0.56 -0.11 -0.10 0.00 -0.61 0.00 0.00 39.78 39.52 1c89 n ASN 46 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1c89 s ARG 47 N -1.70 1.45 0.22 3.52 0.52 -1.26 -4.92 118.95 116.79 1c89 s ARG 47 Ca 0.31 -1.79 -0.30 0.00 -0.52 0.00 0.00 55.73 53.43 1c89 s ARG 47 Cb 0.20 -0.29 -0.09 0.00 0.52 0.00 0.00 34.95 35.30 1c89 s ARG 47 CO 0.29 -0.31 1.11 0.00 0.02 0.00 0.00 175.30 176.42 1c89 s ALA 48 N -3.71 3.40 -0.24 2.13 0.00 -1.26 -4.31 121.76 117.76 1c89 s ALA 48 Ca 0.37 0.87 0.03 0.00 0.00 0.00 0.00 51.96 53.23 1c89 s ALA 48 Cb 0.08 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 19.90 1c89 s ALA 48 CO 0.14 -0.21 -0.13 0.08 0.00 0.00 0.00 175.76 175.64 1c89 s VAL 49 N -0.61 2.14 0.00 0.00 1.01 0.27 -5.01 120.40 118.21 1c89 s VAL 49 Ca 0.48 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1c89 s VAL 49 Cb -0.31 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1c89 s VAL 49 CO 0.38 0.09 0.00 -0.81 0.00 0.00 0.00 175.10 174.75 1c89 n PRO 50 N 4.47 -0.53 -2.56 2.72 -0.04 -1.26 0.21 135.00 138.01 1c89 n PRO 50 Ca -0.15 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.98 1c89 n PRO 50 Cb 0.44 0.00 -0.04 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 3.77 -1.36 1.53 1.02 -1.26 -3.52 118.68 118.87 1c89 s LEU 51 Ca 0.00 1.70 -0.02 0.00 0.02 0.00 0.00 54.13 55.83 1c89 s LEU 51 Cb 0.00 -4.53 0.01 0.00 0.02 0.00 0.00 46.19 41.69 1c89 s LEU 51 CO 0.00 -0.58 0.18 0.61 0.02 0.00 0.00 176.35 176.58 1c89 n GLY 52 N -0.93 -0.50 3.70 -3.19 0.00 0.14 -4.91 105.19 99.49 1c89 n GLY 52 Ca 0.07 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.87 4.96 0.91 2.61 2.01 -1.01 -4.71 115.64 117.54 1c89 s THR 53 Ca 0.11 1.68 -0.12 0.00 0.31 0.00 0.00 61.69 63.67 1c89 s THR 53 Cb -0.05 -4.15 0.13 0.00 0.01 0.00 0.00 72.50 68.44 1c89 s THR 53 CO 0.14 0.18 1.12 0.28 -0.69 0.00 0.00 174.62 175.65 1c89 s THR 54 N 1.15 2.18 -0.64 -0.82 -1.32 -1.26 0.38 115.64 115.32 1c89 s THR 54 Ca 0.42 0.06 -0.26 0.00 -1.21 0.00 0.00 61.69 60.70 1c89 s THR 54 Cb -0.18 -2.77 0.04 0.00 -1.51 0.00 0.00 72.50 68.08 1c89 s THR 54 CO 0.20 -0.08 1.12 -0.22 -2.21 0.00 0.00 174.62 173.43 1c89 s LEU 55 N -6.05 3.68 -0.24 9.08 1.98 0.45 -4.79 118.68 122.79 1c89 s LEU 55 Ca 0.64 -0.36 -0.16 0.00 -2.89 0.00 0.00 54.13 51.35 1c89 s LEU 55 Cb -0.15 -2.77 -0.04 0.00 0.66 0.00 0.00 46.19 43.89 1c89 s LEU 55 CO 0.54 -1.52 0.40 -0.04 -1.89 0.00 0.00 176.35 173.84 1c89 s MET 56 N 4.80 4.10 0.18 1.98 -1.94 -1.26 -2.42 119.30 124.72 1c89 s MET 56 Ca 0.34 0.15 0.23 0.00 -1.71 0.00 0.00 55.69 54.70 1c89 s MET 56 Cb -0.10 -3.60 0.90 0.00 2.01 0.00 0.00 34.83 34.04 1c89 s MET 56 CO 0.18 -0.17 1.70 -0.35 -0.01 0.00 0.00 175.02 176.37 1c89 n PRO 57 N 4.94 0.16 0.20 2.03 -0.04 -1.26 -2.66 135.00 138.37 1c89 n PRO 57 Ca -0.08 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.80 1c89 n PRO 57 Cb 0.51 -1.75 0.14 0.00 -0.04 0.00 0.00 33.50 32.35 1c89 n PRO 57 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1c89 h ASP 58 N 0.00 0.00 -0.03 3.54 2.03 -1.96 -3.22 116.42 116.78 1c89 h ASP 58 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1c89 h ASP 58 Cb 0.45 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 1c89 h ASP 58 CO 0.00 0.01 -0.04 0.23 -1.03 0.00 0.00 179.24 178.41 1c89 n MET 59 N -3.04 2.06 -5.25 4.15 2.81 -1.09 -4.91 117.12 111.86 1c89 n MET 59 Ca 0.03 -1.76 -0.32 0.00 -1.81 0.00 0.00 57.70 53.84 1c89 n MET 59 Cb 0.54 -1.43 -0.17 0.00 -0.71 0.00 0.00 33.22 31.45 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 -1.93 2.05 0.00 2.03 1.01 -1.21 -2.82 120.40 119.53 1c89 s VAL 60 Ca 0.26 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1c89 s VAL 60 Cb 0.19 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1c89 s VAL 60 CO 0.31 0.57 0.00 0.29 0.00 0.00 0.00 175.10 176.27 1c89 n LYS 61 N 3.10 0.28 -1.77 2.72 4.76 -1.26 -4.48 118.16 121.51 1c89 n LYS 61 Ca -0.18 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 54.93 1c89 n LYS 61 Cb 0.52 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.65 1c89 n LYS 61 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1c89 n ASN 62 N 0.00 2.93 0.00 4.39 5.15 -1.26 -4.84 115.26 121.63 1c89 n ASN 62 Ca 0.00 -2.70 0.00 0.00 -0.60 0.00 0.00 54.58 51.28 1c89 n ASN 62 Cb 0.00 -1.53 0.00 0.00 -0.53 0.00 0.00 39.78 37.72 1c89 n ASN 62 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c89 n TYR 63 N 12.03 0.00 -3.00 1.20 4.11 -1.26 -4.96 117.16 125.28 1c89 n TYR 63 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.37 1c89 n TYR 63 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.79 1c89 n TYR 63 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 1c89 n GLU 64 N 0.00 3.64 -1.59 -3.48 0.28 -1.26 -4.92 120.64 113.31 1c89 n GLU 64 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 1c89 n GLU 64 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 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 7.65 -0.89 -1.84 5.68 -1.26 -4.41 116.55 121.48 1c89 n ASP 65 Ca 0.00 -2.91 0.04 0.00 -0.50 0.00 0.00 54.79 51.43 1c89 n ASP 65 Cb 0.00 -1.40 0.22 0.00 -1.14 0.00 0.00 41.12 38.80 1c89 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c89 n GLY 66 N 2.21 4.46 3.94 6.12 0.00 -1.26 -5.01 105.19 115.64 1c89 n GLY 66 Ca 0.63 -1.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.99 4.61 0.00 2.61 -4.23 -1.26 -5.11 115.64 109.27 1c89 s THR 67 Ca 0.42 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1c89 s THR 67 Cb 0.36 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.50 1c89 s THR 67 CO 0.05 -0.50 0.00 0.35 -0.54 0.00 0.00 174.62 173.97 1c89 n THR 68 N -1.98 0.00 -1.99 3.99 -2.24 -1.26 -4.96 114.28 105.84 1c89 n THR 68 Ca -0.01 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 1c89 n THR 68 Cb 0.57 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 1c89 n THR 68 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1c89 s SER 69 N -1.00 6.48 0.00 3.42 0.15 -1.26 -4.97 113.70 116.52 1c89 s SER 69 Ca 0.00 2.81 0.00 0.00 0.70 0.00 0.00 55.95 59.46 1c89 s SER 69 Cb 0.00 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1c89 s SER 69 CO 0.00 -0.75 0.00 -0.81 1.20 0.00 0.00 173.24 172.88 1c89 n PRO 70 N 0.49 0.00 0.00 5.44 -0.04 -1.26 -4.72 135.00 134.91 1c89 n PRO 70 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1c89 n PRO 70 Cb 0.41 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 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 2.10 0.32 2.36 0.55 0.00 -1.26 -3.84 105.19 105.42 1c89 n GLY 71 Ca 0.00 0.66 -0.27 0.00 0.00 0.00 0.00 46.02 46.41 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 6.74 -4.63 0.99 4.77 -1.26 -4.92 117.00 118.69 1c89 n LEU 72 Ca 0.00 -4.07 -0.41 0.00 -0.03 0.00 0.00 56.01 51.50 1c89 n LEU 72 Cb 0.00 -1.33 -0.06 0.00 -2.33 0.00 0.00 43.42 39.70 1c89 n LEU 72 CO 0.00 1.83 0.45 -1.59 -1.33 0.00 0.00 177.39 176.74 1c89 s LYS 73 N -0.65 4.12 0.25 3.23 -2.85 -1.25 -4.31 119.74 118.28 1c89 s LYS 73 Ca 0.61 0.62 -0.04 0.00 -1.00 0.00 0.00 55.97 56.16 1c89 s LYS 73 Cb 0.31 -3.65 -0.05 0.00 -2.06 0.00 0.00 37.83 32.38 1c89 s LYS 73 CO -0.13 -0.44 0.50 -1.54 0.10 0.00 0.00 175.35 173.84 1c89 s SER 74 N 1.45 6.45 0.12 0.03 1.04 -0.29 -4.08 113.70 118.42 1c89 s SER 74 Ca 0.28 0.64 -0.31 0.00 0.48 0.00 0.00 55.95 57.04 1c89 s SER 74 Cb -0.15 -2.11 -0.09 0.00 0.10 0.00 0.00 66.02 63.77 1c89 s SER 74 CO 0.08 -0.13 1.50 -0.69 0.98 0.00 0.00 173.24 174.98 1c89 s VAL 75 N -1.98 3.00 -0.08 5.02 1.01 -1.00 -1.67 120.40 124.72 1c89 s VAL 75 Ca 0.43 0.68 0.03 0.00 0.00 0.00 0.00 61.98 63.11 1c89 s VAL 75 Cb -0.11 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.85 1c89 s VAL 75 CO 0.29 0.04 -0.15 -0.69 0.00 0.00 0.00 175.10 174.59 1c89 s VAL 76 N 1.39 1.39 -0.97 2.92 1.01 -0.57 0.66 120.40 126.22 1c89 s VAL 76 Ca 0.68 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 1c89 s VAL 76 Cb -0.40 -1.25 0.03 0.00 0.00 0.00 0.00 36.38 34.77 1c89 s VAL 76 CO 0.31 0.41 1.51 0.00 0.00 0.00 0.00 175.10 177.32 1c89 s ALA 77 N 0.65 2.57 0.57 5.51 0.00 0.17 0.47 121.76 131.71 1c89 s ALA 77 Ca -0.14 -2.05 0.26 0.00 0.00 0.00 0.00 51.96 50.03 1c89 s ALA 77 Cb -0.16 -4.51 1.58 0.00 0.00 0.00 0.00 23.12 20.03 1c89 s ALA 77 CO 0.04 -3.75 2.11 -2.95 0.00 0.00 0.00 175.76 171.21 1c89 h ASN 78 N 10.10 0.00 -4.98 0.00 -1.07 -1.76 -0.35 115.58 117.51 1c89 h ASN 78 Ca 0.14 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.14 1c89 h ASN 78 Cb 1.02 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.23 1c89 h ASN 78 CO 1.38 0.00 -0.18 1.67 0.07 0.00 0.00 177.43 180.38 1c89 n GLN 79 N -4.01 0.98 -3.65 4.14 -0.06 -1.26 -2.43 117.38 111.09 1c89 n GLN 79 Ca 0.01 -2.20 -0.36 0.00 -2.00 0.00 0.00 57.00 52.46 1c89 n GLN 79 Cb 0.30 0.24 -0.09 0.00 -4.06 0.00 0.00 30.24 26.63 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1c89 s LEU 80 N 0.00 4.13 -0.12 1.69 0.20 -1.25 -3.66 118.68 119.67 1c89 s LEU 80 Ca 0.20 0.15 0.03 0.00 0.69 0.00 0.00 54.13 55.20 1c89 s LEU 80 Cb -0.02 -2.13 0.01 0.00 -0.43 0.00 0.00 46.19 43.62 1c89 s LEU 80 CO 0.12 0.07 -0.23 -0.63 -0.29 0.00 0.00 176.35 175.40 1c89 s ILE 81 N 0.97 2.07 0.59 6.68 -1.09 -0.69 -4.95 121.20 124.78 1c89 s ILE 81 Ca 0.08 -0.99 -0.17 0.00 -2.23 0.00 0.00 60.65 57.34 1c89 s ILE 81 Cb -0.13 -1.81 -0.04 0.00 -1.58 0.00 0.00 42.46 38.90 1c89 s ILE 81 CO 0.04 0.55 1.07 -2.16 -1.23 0.00 0.00 174.94 173.21 1c89 s PRO 82 N 0.60 3.30 0.63 2.79 0.04 -1.26 -0.43 135.00 140.67 1c89 s PRO 82 Ca -0.12 1.29 -0.17 0.00 0.04 0.00 0.00 61.00 62.04 1c89 s PRO 82 Cb -0.17 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 1c89 s PRO 82 CO 0.03 -0.84 0.13 -0.89 0.04 0.00 0.00 177.00 175.48 1c89 n ILE 83 N -1.89 1.03 -3.37 0.56 5.41 -1.25 -3.37 119.36 116.48 1c89 n ILE 83 Ca 0.09 -0.47 -0.12 0.00 1.00 0.00 0.00 62.75 63.25 1c89 n ILE 83 Cb 0.52 -0.36 0.00 0.00 -0.71 0.00 0.00 39.64 39.09 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 1.37 -6.48 -3.52 4.38 3.02 0.01 -4.97 115.26 109.07 1c89 n ASN 84 Ca 0.08 -0.41 -0.21 0.00 -0.03 0.00 0.00 54.58 54.01 1c89 n ASN 84 Cb 0.49 -3.64 -0.14 0.00 -0.61 0.00 0.00 39.78 35.88 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1c89 s THR 85 N -2.90 -0.25 -0.71 3.41 2.01 -1.22 -4.84 115.64 111.14 1c89 s THR 85 Ca 0.03 -0.17 -0.27 0.00 0.31 0.00 0.00 61.69 61.59 1c89 s THR 85 Cb -0.01 -0.68 -0.14 0.00 0.01 0.00 0.00 72.50 71.69 1c89 s THR 85 CO 0.82 -0.26 2.51 0.00 -0.69 0.00 0.00 174.62 176.99 1c89 n ALA 86 N 5.31 0.59 -2.32 7.40 0.00 -1.25 -3.87 120.51 126.37 1c89 n ALA 86 Ca -0.06 -0.74 -0.36 0.00 0.00 0.00 0.00 53.44 52.28 1c89 n ALA 86 Cb 0.49 -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 10.76 4.37 0.44 0.00 2.34 -0.52 -4.73 118.68 131.34 1c89 s LEU 87 Ca 1.13 1.14 0.03 0.00 0.06 0.00 0.00 54.13 56.49 1c89 s LEU 87 Cb -0.58 -3.23 -0.02 0.00 -0.56 0.00 0.00 46.19 41.80 1c89 s LEU 87 CO 0.34 0.13 0.12 0.42 -1.06 0.00 0.00 176.35 176.30 1c89 s THR 88 N -1.41 0.63 0.56 5.48 -4.23 -1.26 0.18 115.64 115.59 1c89 s THR 88 Ca 0.37 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.18 1c89 s THR 88 Cb -0.16 -2.26 0.45 0.00 1.34 0.00 0.00 72.50 71.87 1c89 s THR 88 CO 0.19 0.00 1.86 0.17 -0.54 0.00 0.00 174.62 176.31 1c89 h LEU 89 N 1.66 0.00 0.27 4.79 -0.00 -1.96 -0.44 115.31 119.63 1c89 h LEU 89 Ca -0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.51 1c89 h LEU 89 Cb 1.28 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.93 1c89 h LEU 89 CO 0.58 0.00 -0.31 0.58 -0.00 0.00 0.00 178.44 179.30 1c89 h VAL 90 N 0.00 0.00 -0.01 0.15 2.07 -2.01 -2.06 116.25 114.38 1c89 h VAL 90 Ca 0.37 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.89 1c89 h VAL 90 Cb 1.61 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 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 -4.21 1.13 -3.69 1.57 2.81 -0.87 -4.74 117.12 109.12 1c89 n MET 91 Ca -0.07 -0.20 -0.37 0.00 -1.81 0.00 0.00 57.70 55.26 1c89 n MET 91 Cb 0.27 -1.45 -0.10 0.00 -0.71 0.00 0.00 33.22 31.23 1c89 n MET 91 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1c89 s MET 92 N -1.99 4.01 -0.51 0.03 -2.45 -0.23 -3.08 119.30 115.08 1c89 s MET 92 Ca 0.42 -0.30 0.04 0.00 -1.25 0.00 0.00 55.69 54.60 1c89 s MET 92 Cb 0.20 -3.51 0.14 0.00 1.25 0.00 0.00 34.83 32.90 1c89 s MET 92 CO 0.33 0.02 0.28 0.15 1.05 0.00 0.00 175.02 176.85 1c89 s LYS 93 N 1.15 1.82 -0.58 4.11 1.02 0.18 -4.74 119.74 122.70 1c89 s LYS 93 Ca 0.07 -2.52 -0.27 0.00 0.02 0.00 0.00 55.97 53.27 1c89 s LYS 93 Cb -0.14 -3.03 -0.01 0.00 -0.52 0.00 0.00 37.83 34.13 1c89 s LYS 93 CO 0.05 -1.15 1.75 0.00 -0.92 0.00 0.00 175.35 175.08 1c89 s ALA 94 N -0.23 2.39 0.32 5.17 0.00 -1.26 -1.51 121.76 126.65 1c89 s ALA 94 Ca 0.18 -0.59 0.09 0.00 0.00 0.00 0.00 51.96 51.64 1c89 s ALA 94 Cb -0.23 -4.23 -0.06 0.00 0.00 0.00 0.00 23.12 18.59 1c89 s ALA 94 CO -0.02 -3.55 -0.10 -1.21 0.00 0.00 0.00 175.76 170.88 1c89 s GLU 95 N 6.55 1.74 -0.89 0.00 0.41 -0.67 -4.74 118.70 121.10 1c89 s GLU 95 Ca 0.64 -1.88 -0.25 0.00 -0.41 0.00 0.00 54.97 53.07 1c89 s GLU 95 Cb -0.13 -1.58 0.02 0.00 -1.78 0.00 0.00 34.13 30.66 1c89 s GLU 95 CO 0.23 0.14 1.50 -2.00 -0.49 0.00 0.00 175.26 174.63 1c89 s GLU 96 N -3.63 3.25 0.17 1.61 -6.30 -1.26 -1.13 118.70 111.41 1c89 s GLU 96 Ca 0.31 -0.60 -0.12 0.00 -2.50 0.00 0.00 54.97 52.07 1c89 s GLU 96 Cb 0.02 -4.88 0.00 0.00 0.00 0.00 0.00 34.13 29.27 1c89 s GLU 96 CO 0.15 -2.39 0.36 0.54 0.02 0.00 0.00 175.26 173.94 1c89 s VAL 97 N 6.24 0.05 0.31 3.70 0.11 -1.26 -4.88 120.40 124.66 1c89 s VAL 97 Ca 0.48 -1.17 0.08 0.00 -2.93 0.00 0.00 61.98 58.43 1c89 s VAL 97 Cb -0.04 -1.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.03 1c89 s VAL 97 CO 0.01 -0.25 0.16 -0.44 -3.33 0.00 0.00 175.10 171.26 1c89 s SER 98 N -2.93 4.98 1.02 3.54 0.01 -1.26 -4.38 113.70 114.68 1c89 s SER 98 Ca 0.14 -0.57 -0.16 0.00 1.31 0.00 0.00 55.95 56.67 1c89 s SER 98 Cb 0.02 -0.95 0.21 0.00 0.21 0.00 0.00 66.02 65.51 1c89 s SER 98 CO -0.01 -0.20 1.20 -2.16 0.41 0.00 0.00 173.24 172.47 1c89 s PRO 99 N -3.85 0.18 -1.14 12.44 0.04 -1.26 -4.97 135.00 136.44 1c89 s PRO 99 Ca 0.36 -0.10 -0.18 0.00 0.04 0.00 0.00 61.00 61.12 1c89 s PRO 99 Cb -0.05 -1.76 0.10 0.00 0.04 0.00 0.00 34.50 32.83 1c89 s PRO 99 CO 0.24 -2.77 1.48 0.15 0.04 0.00 0.00 177.00 176.14 1c89 s LYS 100 N -5.56 3.84 0.00 4.56 -0.14 -1.26 -4.92 119.74 116.26 1c89 s LYS 100 Ca 0.70 -1.88 0.00 0.00 -1.36 0.00 0.00 55.97 53.43 1c89 s LYS 100 Cb -0.09 -5.27 0.00 0.00 -1.68 0.00 0.00 37.83 30.79 1c89 s LYS 100 CO 0.54 -2.04 0.00 0.41 -0.76 0.00 0.00 175.35 173.50 1c89 n GLY 101 N 5.48 -0.09 3.41 -3.33 0.00 -1.26 -4.90 105.19 104.50 1c89 n GLY 101 Ca 0.37 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 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 0.73 -0.61 1.01 -0.11 -4.76 121.20 121.27 1c89 s ILE 102 Ca 0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 1c89 s ILE 102 Cb 0.00 -2.73 0.03 0.00 0.01 0.00 0.00 42.46 39.77 1c89 s ILE 102 CO 0.00 0.42 1.08 -2.16 0.00 0.00 0.00 174.94 174.28 1c89 s PRO 103 N 1.14 2.60 -0.95 2.79 0.04 -1.26 -2.36 135.00 137.00 1c89 s PRO 103 Ca 0.03 1.08 -0.05 0.00 0.04 0.00 0.00 61.00 62.09 1c89 s PRO 103 Cb -0.14 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.50 1c89 s PRO 103 CO 0.01 -1.37 2.66 -1.13 0.04 0.00 0.00 177.00 177.21 1c89 n SER 104 N -3.28 7.35 0.05 6.66 3.41 -1.26 -4.49 113.62 122.06 1c89 n SER 104 Ca 0.08 -3.07 -0.20 0.00 -0.26 0.00 0.00 58.87 55.43 1c89 n SER 104 Cb 0.53 -1.34 -0.14 0.00 -0.26 0.00 0.00 64.21 63.00 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 3.95 0.29 -0.15 4.33 5.08 -1.94 -3.38 114.58 122.76 1c89 h GLU 105 Ca 0.57 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1c89 h GLU 105 Cb 0.54 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1c89 h GLU 105 CO 1.20 1.17 0.00 -0.85 -1.00 0.00 0.00 179.01 179.53 1c89 n GLU 106 N -3.48 2.91 -0.19 2.33 0.28 -1.26 -4.74 120.64 116.49 1c89 n GLU 106 Ca -0.24 -1.78 -0.04 0.00 -0.16 0.00 0.00 57.16 54.95 1c89 n GLU 106 Cb 1.06 -1.14 0.02 0.00 1.43 0.00 0.00 31.44 32.82 1c89 n GLU 106 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1c89 h ILE 107 N 0.89 0.26 -1.57 3.84 1.08 -1.85 0.57 117.51 120.74 1c89 h ILE 107 Ca 0.00 0.00 0.45 0.00 -0.39 0.00 0.00 64.86 64.92 1c89 h ILE 107 Cb 0.62 0.26 -0.06 0.00 -3.07 0.00 0.00 36.82 34.57 1c89 h ILE 107 CO 0.00 0.00 1.24 -1.28 -0.69 0.00 0.00 178.15 177.42 1c89 h SER 108 N -0.12 0.00 0.66 1.72 0.87 -1.88 2.26 113.55 117.06 1c89 h SER 108 Ca 0.25 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.68 1c89 h SER 108 Cb 0.51 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1c89 h SER 108 CO -0.63 0.00 -1.43 0.29 -0.53 0.00 0.00 176.83 174.52 1c89 n LYS 109 N -3.81 0.62 -0.33 2.24 5.02 0.19 -4.08 118.16 118.01 1c89 n LYS 109 Ca 0.35 0.14 0.07 0.00 -2.02 0.00 0.00 58.31 56.86 1c89 n LYS 109 Cb 1.72 -1.77 0.22 0.00 -0.02 0.00 0.00 35.03 35.18 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 -2.77 3.48 -4.78 -0.35 4.77 0.67 -5.00 117.00 113.03 1c89 n LEU 110 Ca -0.08 -2.63 -0.41 0.00 -0.03 0.00 0.00 56.01 52.86 1c89 n LEU 110 Cb 0.77 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1c89 n LEU 110 CO 0.43 0.69 1.09 -0.69 -1.33 0.00 0.00 177.39 177.58 1c89 s VAL 111 N -2.13 2.21 -1.31 4.08 1.01 0.39 -1.68 120.40 122.97 1c89 s VAL 111 Ca 0.34 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1c89 s VAL 111 Cb 0.25 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1c89 s VAL 111 CO 0.11 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1c89 n GLY 112 N 0.55 1.32 3.79 4.51 0.00 0.47 -4.93 105.19 110.89 1c89 n GLY 112 Ca 0.01 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.99 3.56 -0.19 1.61 0.00 -0.67 -4.16 119.30 116.45 1c89 s MET 113 Ca 0.00 1.41 -0.22 0.00 0.00 0.00 0.00 55.69 56.87 1c89 s MET 113 Cb 0.00 -2.05 -0.02 0.00 0.00 0.00 0.00 34.83 32.75 1c89 s MET 113 CO 0.00 -0.64 0.69 -0.65 0.00 0.00 0.00 175.02 174.42 1c89 s GLN 114 N -3.42 4.23 0.50 3.16 -0.21 -1.26 -1.44 119.66 121.22 1c89 s GLN 114 Ca 0.68 0.73 -0.17 0.00 0.02 0.00 0.00 55.36 56.62 1c89 s GLN 114 Cb -0.18 -3.58 -0.08 0.00 1.00 0.00 0.00 33.01 30.16 1c89 s GLN 114 CO 0.25 -0.27 0.97 0.54 -2.12 0.00 0.00 175.29 174.67 1c89 s VAL 115 N 2.00 4.52 -2.52 1.09 0.11 -1.25 -4.80 120.40 119.54 1c89 s VAL 115 Ca 0.31 1.25 0.23 0.00 -2.93 0.00 0.00 61.98 60.84 1c89 s VAL 115 Cb -0.16 -3.70 0.10 0.00 -1.53 0.00 0.00 36.38 31.09 1c89 s VAL 115 CO 0.11 -0.62 1.16 -3.20 -3.33 0.00 0.00 175.10 169.22 1c89 n ASN 116 N -1.41 2.55 -4.52 3.54 5.15 -1.26 -0.81 115.26 118.49 1c89 n ASN 116 Ca 0.07 -1.77 -0.25 0.00 -0.60 0.00 0.00 54.58 52.02 1c89 n ASN 116 Cb 0.54 0.20 -0.11 0.00 -0.53 0.00 0.00 39.78 39.88 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1c89 s ARG 117 N -2.14 1.81 0.20 1.20 1.81 -1.25 -4.67 118.95 115.90 1c89 s ARG 117 Ca 0.23 -2.02 -0.22 0.00 -1.72 0.00 0.00 55.73 51.99 1c89 s ARG 117 Cb 0.19 -1.20 -0.08 0.00 -0.45 0.00 0.00 34.95 33.41 1c89 s ARG 117 CO 0.40 -0.15 0.75 0.00 -0.68 0.00 0.00 175.30 175.62 1c89 s ALA 118 N -3.04 3.42 -0.03 2.13 0.00 -1.26 -3.91 121.76 119.08 1c89 s ALA 118 Ca 0.34 0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.64 1c89 s ALA 118 Cb 0.09 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.30 1c89 s ALA 118 CO 0.16 0.31 -0.24 0.08 0.00 0.00 0.00 175.76 176.06 1c89 s VAL 119 N -1.35 1.93 0.00 0.00 1.01 0.43 -4.89 120.40 117.53 1c89 s VAL 119 Ca 0.40 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1c89 s VAL 119 Cb -0.20 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1c89 s VAL 119 CO 0.23 0.54 0.00 -1.22 0.00 0.00 0.00 175.10 174.66 1c89 n TYR 120 N 2.61 -0.95 0.00 5.22 4.01 -1.26 -1.70 117.16 125.09 1c89 n TYR 120 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 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 -4.33 7.72 7.99 -1.24 -3.85 117.00 123.29 1c89 n LEU 121 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.88 1c89 n LEU 121 Cb 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.20 1c89 n LEU 121 CO 0.00 0.00 1.45 0.47 -1.51 0.00 0.00 177.39 177.80 1c89 n ASP 122 N 0.00 -0.96 -4.42 -1.43 8.00 -0.22 -4.47 116.55 113.05 1c89 n ASP 122 Ca 0.00 -1.21 -0.29 0.00 0.71 0.00 0.00 54.79 53.99 1c89 n ASP 122 Cb 0.00 -0.83 -0.13 0.00 -0.02 0.00 0.00 41.12 40.14 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1c89 s GLN 123 N 6.66 1.55 0.06 -1.24 2.00 -0.72 -4.54 119.66 123.42 1c89 s GLN 123 Ca 0.72 -1.28 -0.30 0.00 -2.00 0.00 0.00 55.36 52.50 1c89 s GLN 123 Cb -0.35 -1.98 -0.05 0.00 0.80 0.00 0.00 33.01 31.44 1c89 s GLN 123 CO 0.25 0.46 1.02 0.99 -0.50 0.00 0.00 175.29 177.51 1c89 s THR 124 N -1.07 4.55 0.12 -0.34 2.01 -1.26 0.45 115.64 120.10 1c89 s THR 124 Ca 0.15 1.94 -0.31 0.00 0.31 0.00 0.00 61.69 63.78 1c89 s THR 124 Cb -0.10 -4.24 -0.08 0.00 0.01 0.00 0.00 72.50 68.09 1c89 s THR 124 CO 0.07 0.21 1.41 -0.22 -0.69 0.00 0.00 174.62 175.41 1c89 s LEU 125 N 0.60 4.37 0.16 4.42 2.96 0.21 -4.90 118.68 126.50 1c89 s LEU 125 Ca 0.51 2.36 0.10 0.00 -0.22 0.00 0.00 54.13 56.89 1c89 s LEU 125 Cb -0.24 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.83 1c89 s LEU 125 CO 0.29 -0.68 -0.23 -0.04 -1.32 0.00 0.00 176.35 174.38 1c89 s MET 126 N 1.15 1.39 0.40 1.98 -1.94 -1.26 -0.93 119.30 120.09 1c89 s MET 126 Ca 0.65 -1.42 0.21 0.00 -1.71 0.00 0.00 55.69 53.42 1c89 s MET 126 Cb -0.38 -1.69 0.71 0.00 2.01 0.00 0.00 34.83 35.49 1c89 s MET 126 CO 0.30 0.37 1.74 -1.00 -0.01 0.00 0.00 175.02 176.42 1c89 h PRO 127 N 3.45 0.00 0.00 2.03 0.13 -1.88 -2.94 132.00 132.79 1c89 h PRO 127 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 1c89 h PRO 127 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1c89 h PRO 127 CO 0.46 0.30 -0.26 -0.44 -0.23 0.00 0.00 178.00 177.82 1c89 h ASP 128 N 0.00 0.00 0.06 1.44 3.32 -2.00 -3.24 116.42 116.00 1c89 h ASP 128 Ca -0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 1c89 h ASP 128 Cb 0.89 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 1c89 h ASP 128 CO 0.04 0.26 -1.20 0.24 -1.72 0.00 0.00 179.24 176.87 1c89 h MET 129 N 0.00 0.12 -5.78 3.56 2.86 -1.95 -3.42 114.93 110.33 1c89 h MET 129 Ca -0.00 -0.20 -0.62 0.00 -2.06 0.00 0.00 59.70 56.82 1c89 h MET 129 Cb 0.73 0.08 -0.12 0.00 0.06 0.00 0.00 31.60 32.35 1c89 h MET 129 CO 0.03 1.10 1.12 0.08 1.06 0.00 0.00 176.91 180.30 1c89 s VAL 130 N -2.40 4.15 -2.22 -2.22 1.01 -1.12 -3.91 120.40 113.69 1c89 s VAL 130 Ca -0.23 -0.72 0.19 0.00 0.00 0.00 0.00 61.98 61.21 1c89 s VAL 130 Cb 0.04 -4.91 0.42 0.00 0.00 0.00 0.00 36.38 31.93 1c89 s VAL 130 CO 0.69 -1.75 1.47 2.29 0.00 0.00 0.00 175.10 177.80 1c89 n LYS 131 N 8.20 1.82 -1.40 2.72 2.85 -1.26 -4.26 118.16 126.83 1c89 n LYS 131 Ca 0.20 -1.25 -0.29 0.00 -1.05 0.00 0.00 58.31 55.93 1c89 n LYS 131 Cb 0.49 -1.38 0.01 0.00 -0.65 0.00 0.00 35.03 33.51 1c89 n LYS 131 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1c89 n ASN 132 N 0.48 6.93 -3.88 -5.58 2.85 -1.26 -4.98 115.26 109.82 1c89 n ASN 132 Ca 0.15 -3.41 -0.30 0.00 -0.11 0.00 0.00 54.58 50.91 1c89 n ASN 132 Cb 0.35 -1.11 0.24 0.00 1.24 0.00 0.00 39.78 40.50 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 1c89 s TYR 133 N -2.63 0.52 -1.24 1.20 2.02 -1.26 -5.06 117.35 110.90 1c89 s TYR 133 Ca 0.52 0.59 0.10 0.00 -0.37 0.00 0.00 57.07 57.90 1c89 s TYR 133 Cb 0.38 -3.33 0.08 0.00 -0.40 0.00 0.00 41.96 38.69 1c89 s TYR 133 CO -0.17 -3.96 0.82 -0.85 -1.57 0.00 0.00 175.55 169.82