#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 -1.96 -1.79 1.20 4.76 -1.26 -4.96 118.16 114.15 1c89 n LYS 2 Ca 0.00 -1.46 -0.39 0.00 -2.87 0.00 0.00 58.31 53.59 1c89 n LYS 2 Cb 0.00 -1.18 0.04 0.00 -1.84 0.00 0.00 35.03 32.04 1c89 n LYS 2 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1c89 s ALA 3 N -3.43 2.91 0.24 7.82 0.00 -1.26 -4.79 121.76 123.25 1c89 s ALA 3 Ca 0.57 1.36 0.06 0.00 0.00 0.00 0.00 51.96 53.95 1c89 s ALA 3 Cb -0.04 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1c89 s ALA 3 CO 0.42 -1.33 0.21 0.45 0.00 0.00 0.00 175.76 175.51 1c89 s SER 4 N -0.87 5.64 -0.63 0.00 0.15 0.19 -3.57 113.70 114.61 1c89 s SER 4 Ca 0.69 -0.19 -0.25 0.00 0.70 0.00 0.00 55.95 56.91 1c89 s SER 4 Cb -0.41 -1.48 0.05 0.00 -1.71 0.00 0.00 66.02 62.47 1c89 s SER 4 CO 0.49 -0.03 1.06 -0.69 1.20 0.00 0.00 173.24 175.27 1c89 s VAL 5 N -2.06 4.17 -0.25 4.45 1.01 -0.96 -2.45 120.40 124.30 1c89 s VAL 5 Ca 0.33 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.49 1c89 s VAL 5 Cb -0.08 -4.69 0.02 0.00 0.00 0.00 0.00 36.38 31.62 1c89 s VAL 5 CO 0.25 -1.41 -0.03 -0.69 0.00 0.00 0.00 175.10 173.22 1c89 s VAL 6 N 4.52 3.15 0.18 2.92 1.01 -1.05 -1.07 120.40 130.07 1c89 s VAL 6 Ca 0.31 -0.86 -0.33 0.00 0.00 0.00 0.00 61.98 61.10 1c89 s VAL 6 Cb -0.12 -2.57 -0.14 0.00 0.00 0.00 0.00 36.38 33.55 1c89 s VAL 6 CO 0.17 0.23 1.42 0.00 0.00 0.00 0.00 175.10 176.91 1c89 n ALA 7 N 4.73 0.66 0.01 5.51 0.00 -0.08 -2.85 120.51 128.49 1c89 n ALA 7 Ca -0.17 0.44 -0.20 0.00 0.00 0.00 0.00 53.44 53.52 1c89 n ALA 7 Cb 0.48 -2.24 -0.14 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 4.70 0.36 -5.57 0.00 -0.73 -1.80 0.46 115.58 113.00 1c89 h ASN 8 Ca -0.45 -0.88 -0.46 0.00 1.87 0.00 0.00 56.30 56.38 1c89 h ASN 8 Cb 1.29 -0.12 0.08 0.00 0.27 0.00 0.00 38.32 39.84 1c89 h ASN 8 CO 0.79 1.47 0.11 0.00 -0.37 0.00 0.00 177.43 179.43 1c89 n GLN 9 N -4.09 -0.08 -3.08 6.67 10.64 -1.26 -3.08 117.38 123.10 1c89 n GLN 9 Ca -0.20 -2.70 -0.41 0.00 -1.83 0.00 0.00 57.00 51.85 1c89 n GLN 9 Cb 0.82 -0.64 -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 4.16 -0.24 2.61 0.20 -1.26 -4.18 118.68 119.98 1c89 s LEU 10 Ca 0.65 0.39 -0.11 0.00 0.69 0.00 0.00 54.13 55.75 1c89 s LEU 10 Cb -0.04 -2.86 -0.05 0.00 -0.43 0.00 0.00 46.19 42.81 1c89 s LEU 10 CO 0.43 -0.55 0.19 -0.63 -0.29 0.00 0.00 176.35 175.51 1c89 s ILE 11 N 2.72 5.34 0.00 6.68 -1.09 0.22 -4.94 121.20 130.13 1c89 s ILE 11 Ca 0.26 0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.94 1c89 s ILE 11 Cb -0.15 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 1c89 s ILE 11 CO 0.13 0.33 0.00 -0.81 -1.23 0.00 0.00 174.94 173.36 1c89 n PRO 12 N 4.33 0.50 -3.01 2.79 -0.04 -1.26 0.19 135.00 138.50 1c89 n PRO 12 Ca -0.14 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.97 1c89 n PRO 12 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 1c89 n PRO 12 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1c89 s ILE 13 N -0.30 4.51 -0.92 0.52 1.09 -1.26 -4.27 121.20 120.57 1c89 s ILE 13 Ca 0.00 1.31 -0.07 0.00 -1.10 0.00 0.00 60.65 60.79 1c89 s ILE 13 Cb 0.00 -3.76 -0.02 0.00 -1.06 0.00 0.00 42.46 37.62 1c89 s ILE 13 CO 0.00 -0.02 0.75 0.59 -0.10 0.00 0.00 174.94 176.16 1c89 n ASN 14 N 0.10 -6.42 -3.83 3.58 3.02 -0.85 -4.91 115.26 105.95 1c89 n ASN 14 Ca 0.02 -0.60 -0.20 0.00 -0.03 0.00 0.00 54.58 53.77 1c89 n ASN 14 Cb 0.52 -4.16 -0.17 0.00 -0.61 0.00 0.00 39.78 35.37 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 -3.20 0.35 -0.78 3.41 2.01 -1.26 -4.84 115.64 111.32 1c89 s THR 15 Ca 0.22 0.02 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 1c89 s THR 15 Cb -0.06 -0.44 0.02 0.00 0.01 0.00 0.00 72.50 72.03 1c89 s THR 15 CO 0.80 0.20 1.40 0.00 -0.69 0.00 0.00 174.62 176.34 1c89 s ALA 16 N 1.24 2.64 0.64 7.40 0.00 -1.25 -3.68 121.76 128.74 1c89 s ALA 16 Ca -0.06 -1.46 -0.17 0.00 0.00 0.00 0.00 51.96 50.27 1c89 s ALA 16 Cb -0.13 -4.33 -0.08 0.00 0.00 0.00 0.00 23.12 18.58 1c89 s ALA 16 CO -0.02 -3.48 0.40 1.28 0.00 0.00 0.00 175.76 173.94 1c89 n LEU 17 N 9.85 0.02 0.00 0.00 4.77 -1.05 -4.29 117.00 126.31 1c89 n LEU 17 Ca 0.12 0.64 -0.23 0.00 -0.03 0.00 0.00 56.01 56.51 1c89 n LEU 17 Cb 0.50 -1.14 -0.05 0.00 -2.33 0.00 0.00 43.42 40.40 1c89 n LEU 17 CO 0.70 -3.40 -0.17 0.35 -1.33 0.00 0.00 177.39 173.54 1c89 n THR 18 N -2.00 0.00 -0.10 -5.08 -2.24 -1.26 0.26 114.28 103.86 1c89 n THR 18 Ca 0.10 -1.71 -0.07 0.00 -2.27 0.00 0.00 64.05 60.11 1c89 n THR 18 Cb 0.49 0.35 0.11 0.00 -2.10 0.00 0.00 70.33 69.17 1c89 n THR 18 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1c89 h LEU 19 N 0.00 0.78 -1.19 3.22 3.38 -1.94 -2.72 115.31 116.83 1c89 h LEU 19 Ca -0.30 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.39 1c89 h LEU 19 Cb 0.91 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1c89 h LEU 19 CO 0.50 0.94 0.21 0.40 0.09 0.00 0.00 178.44 180.57 1c89 h ILE 20 N 0.70 1.20 -0.26 1.22 5.03 -2.02 -0.95 117.51 122.43 1c89 h ILE 20 Ca 0.11 -0.62 0.00 0.00 -0.12 0.00 0.00 64.86 64.23 1c89 h ILE 20 Cb 0.65 0.57 0.00 0.00 -3.03 0.00 0.00 36.82 35.01 1c89 h ILE 20 CO 0.05 0.24 0.00 0.23 -0.68 0.00 0.00 178.15 177.99 1c89 n MET 21 N -4.34 2.04 -3.78 2.37 2.81 -1.05 -4.73 117.12 110.45 1c89 n MET 21 Ca 0.04 -1.10 -0.37 0.00 -1.81 0.00 0.00 57.70 54.46 1c89 n MET 21 Cb 0.16 -1.48 -0.12 0.00 -0.71 0.00 0.00 33.22 31.07 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 -1.65 2.44 -0.29 0.03 0.00 -0.36 -2.67 119.30 116.80 1c89 s MET 22 Ca 0.20 -1.37 -0.05 0.00 0.00 0.00 0.00 55.69 54.46 1c89 s MET 22 Cb 0.13 -3.45 0.02 0.00 0.00 0.00 0.00 34.83 31.53 1c89 s MET 22 CO 0.10 -0.77 0.05 0.15 0.00 0.00 0.00 175.02 174.54 1c89 s LYS 23 N 1.31 2.95 -1.20 4.11 1.02 -1.13 -4.95 119.74 121.85 1c89 s LYS 23 Ca -0.00 -0.94 -0.18 0.00 0.02 0.00 0.00 55.97 54.86 1c89 s LYS 23 Cb -0.21 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 1c89 s LYS 23 CO 0.00 -0.47 1.99 0.00 -0.92 0.00 0.00 175.35 175.95 1c89 n ALA 24 N 4.81 3.91 -2.82 5.17 0.00 -1.26 -2.53 120.51 127.78 1c89 n ALA 24 Ca -0.15 -3.59 -0.33 0.00 0.00 0.00 0.00 53.44 49.38 1c89 n ALA 24 Cb 0.47 -3.57 -0.06 0.00 0.00 0.00 0.00 19.45 16.29 1c89 n ALA 24 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1c89 s GLU 25 N 4.43 3.16 -0.78 0.00 2.12 -1.03 -4.71 118.70 121.90 1c89 s GLU 25 Ca 0.55 -0.47 -0.21 0.00 0.36 0.00 0.00 54.97 55.20 1c89 s GLU 25 Cb 0.09 -2.91 0.10 0.00 0.26 0.00 0.00 34.13 31.67 1c89 s GLU 25 CO 0.04 0.64 1.04 0.08 -0.54 0.00 0.00 175.26 176.52 1c89 s VAL 26 N -1.27 4.49 0.05 3.70 1.01 -1.26 0.54 120.40 127.65 1c89 s VAL 26 Ca 0.26 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 1c89 s VAL 26 Cb -0.12 -4.73 0.01 0.00 0.00 0.00 0.00 36.38 31.54 1c89 s VAL 26 CO 0.17 -1.48 0.23 0.68 0.00 0.00 0.00 175.10 174.69 1c89 s VAL 27 N 3.49 0.11 0.58 2.92 -7.23 -1.26 -4.93 120.40 114.07 1c89 s VAL 27 Ca 0.27 -0.87 -0.02 0.00 -1.81 0.00 0.00 61.98 59.55 1c89 s VAL 27 Cb -0.12 -0.98 0.03 0.00 0.56 0.00 0.00 36.38 35.87 1c89 s VAL 27 CO 0.01 -0.48 0.83 0.42 -0.31 0.00 0.00 175.10 175.57 1c89 s THR 28 N -2.76 2.90 0.88 5.32 -4.23 -1.26 -4.51 115.64 111.99 1c89 s THR 28 Ca -0.04 -0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.89 1c89 s THR 28 Cb -0.00 -3.13 0.12 0.00 1.34 0.00 0.00 72.50 70.83 1c89 s THR 28 CO -0.05 -0.11 1.13 -2.16 -0.54 0.00 0.00 174.62 172.90 1c89 s PRO 29 N -4.87 1.37 -0.94 3.99 0.04 -1.26 -4.98 135.00 128.36 1c89 s PRO 29 Ca 0.56 0.33 -0.06 0.00 0.04 0.00 0.00 61.00 61.87 1c89 s PRO 29 Cb -0.10 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 1c89 s PRO 29 CO 0.41 -2.05 2.26 -1.33 0.04 0.00 0.00 177.00 176.33 1c89 n MET 30 N -3.67 2.24 0.00 4.56 2.81 -1.26 -4.79 117.12 117.01 1c89 n MET 30 Ca 0.07 -1.49 0.00 0.00 -1.81 0.00 0.00 57.70 54.47 1c89 n MET 30 Cb 0.59 -2.44 0.00 0.00 -0.71 0.00 0.00 33.22 30.66 1c89 n MET 30 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1c89 n GLY 31 N 3.64 -2.37 3.49 3.03 0.00 -1.26 -4.81 105.19 106.91 1c89 n GLY 31 Ca 0.48 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 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 4.22 0.90 -0.61 1.01 -0.79 -4.96 121.20 120.97 1c89 s ILE 32 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 60.65 60.28 1c89 s ILE 32 Cb 0.00 -2.92 0.22 0.00 0.01 0.00 0.00 42.46 39.77 1c89 s ILE 32 CO 0.00 0.41 0.92 -0.81 0.00 0.00 0.00 174.94 175.47 1c89 n PRO 33 N 4.22 -2.11 -0.77 2.79 -0.04 -1.26 -2.27 135.00 135.56 1c89 n PRO 33 Ca -0.17 -1.46 -0.03 0.00 -0.04 0.00 0.00 63.50 61.81 1c89 n PRO 33 Cb 0.52 -1.21 0.25 0.00 -0.04 0.00 0.00 33.50 33.01 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 -4.19 4.01 0.10 0.55 0.00 -1.23 -4.47 120.51 115.27 1c89 n ALA 34 Ca -0.16 -1.71 -0.13 0.00 0.00 0.00 0.00 53.44 51.43 1c89 n ALA 34 Cb 0.46 -1.18 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 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 2.25 -0.20 -1.15 0.00 4.81 -1.92 -2.81 114.58 115.56 1c89 h GLU 35 Ca 0.17 0.01 -0.46 0.00 -0.13 0.00 0.00 59.36 58.95 1c89 h GLU 35 Cb 1.91 0.05 -0.22 0.00 0.63 0.00 0.00 28.75 31.11 1c89 h GLU 35 CO 0.54 -0.00 0.59 -0.85 -0.73 0.00 0.00 179.01 178.56 1c89 n GLU 36 N -5.11 2.13 -0.32 1.92 0.28 -1.26 -4.68 120.64 113.60 1c89 n GLU 36 Ca -0.09 -2.38 0.04 0.00 -0.16 0.00 0.00 57.16 54.58 1c89 n GLU 36 Cb 0.17 -1.93 0.12 0.00 1.43 0.00 0.00 31.44 31.22 1c89 n GLU 36 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1c89 h ILE 37 N 0.90 0.09 0.00 3.84 1.08 -1.78 2.11 117.51 123.76 1c89 h ILE 37 Ca 0.47 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.94 1c89 h ILE 37 Cb 1.48 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 1c89 h ILE 37 CO 1.05 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.70 1c89 n PRO 38 N -5.58 0.25 -0.11 2.37 -0.04 -1.26 -1.60 135.00 129.03 1c89 n PRO 38 Ca 0.14 0.12 -0.23 0.00 -0.04 0.00 0.00 63.50 63.49 1c89 n PRO 38 Cb 0.45 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.22 1.68 0.00 3.54 2.85 0.70 -4.44 115.26 118.36 1c89 n ASN 39 Ca 0.07 0.22 0.10 0.00 -0.11 0.00 0.00 54.58 54.87 1c89 n ASN 39 Cb 0.09 -0.61 0.46 0.00 1.24 0.00 0.00 39.78 40.96 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 -3.89 0.00 -4.72 1.20 4.77 0.00 -4.75 117.00 109.61 1c89 n LEU 40 Ca -0.43 0.48 -0.35 0.00 -0.03 0.00 0.00 56.01 55.68 1c89 n LEU 40 Cb 0.82 -0.48 0.09 0.00 -2.33 0.00 0.00 43.42 41.52 1c89 n LEU 40 CO 0.05 -0.13 0.84 -0.69 -1.33 0.00 0.00 177.39 176.12 1c89 s VAL 41 N -2.97 2.18 -1.20 4.08 1.01 -0.63 -1.81 120.40 121.06 1c89 s VAL 41 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1c89 s VAL 41 Cb 0.14 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1c89 s VAL 41 CO 0.38 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1c89 n GLY 42 N 0.60 1.07 3.73 4.51 0.00 0.72 -4.83 105.19 111.01 1c89 n GLY 42 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.82 4.61 0.21 1.61 0.00 -0.75 -4.21 119.30 117.95 1c89 s MET 43 Ca 0.00 1.66 -0.21 0.00 0.00 0.00 0.00 55.69 57.14 1c89 s MET 43 Cb 0.00 -3.30 -0.08 0.00 0.00 0.00 0.00 34.83 31.45 1c89 s MET 43 CO 0.00 0.10 0.74 -0.65 0.00 0.00 0.00 175.02 175.21 1c89 s GLN 44 N -0.23 4.34 0.43 3.16 -0.21 -1.24 -2.51 119.66 123.39 1c89 s GLN 44 Ca 0.49 0.95 0.05 0.00 0.02 0.00 0.00 55.36 56.87 1c89 s GLN 44 Cb -0.28 -2.98 0.01 0.00 1.00 0.00 0.00 33.01 30.76 1c89 s GLN 44 CO 0.33 0.44 0.61 0.14 -2.12 0.00 0.00 175.29 174.70 1c89 s VAL 45 N -1.42 3.39 -0.43 1.09 -7.23 -1.25 -4.80 120.40 109.74 1c89 s VAL 45 Ca 0.41 -0.83 0.20 0.00 -1.81 0.00 0.00 61.98 59.96 1c89 s VAL 45 Cb -0.18 -3.20 -0.27 0.00 0.56 0.00 0.00 36.38 33.29 1c89 s VAL 45 CO 0.22 -0.10 0.63 -3.20 -0.31 0.00 0.00 175.10 172.33 1c89 n ASN 46 N -1.96 0.59 -3.97 4.85 5.15 -1.19 -2.01 115.26 116.73 1c89 n ASN 46 Ca 0.05 -0.43 -0.25 0.00 -0.60 0.00 0.00 54.58 53.35 1c89 n ASN 46 Cb 0.59 1.52 -0.08 0.00 -0.53 0.00 0.00 39.78 41.28 1c89 n ASN 46 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1c89 s ARG 47 N -3.18 1.92 0.42 1.20 0.52 -1.26 -4.82 118.95 113.75 1c89 s ARG 47 Ca -0.01 -2.17 -0.23 0.00 -0.52 0.00 0.00 55.73 52.80 1c89 s ARG 47 Cb 0.14 -0.44 -0.09 0.00 0.52 0.00 0.00 34.95 35.08 1c89 s ARG 47 CO 0.84 -0.53 1.07 0.00 0.02 0.00 0.00 175.30 176.69 1c89 s ALA 48 N -3.24 3.05 -0.19 2.13 0.00 -1.26 -4.16 121.76 118.09 1c89 s ALA 48 Ca 0.26 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.95 1c89 s ALA 48 Cb 0.02 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.88 1c89 s ALA 48 CO 0.17 -0.29 -0.19 0.08 0.00 0.00 0.00 175.76 175.53 1c89 s VAL 49 N -1.67 2.08 0.42 0.00 1.01 0.51 -4.98 120.40 117.76 1c89 s VAL 49 Ca 0.60 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 1c89 s VAL 49 Cb -0.22 -1.91 0.10 0.00 0.00 0.00 0.00 36.38 34.35 1c89 s VAL 49 CO 0.28 0.48 0.42 -0.81 0.00 0.00 0.00 175.10 175.47 1c89 n PRO 50 N 4.60 -1.38 -2.72 2.72 -0.04 -1.26 -0.61 135.00 136.31 1c89 n PRO 50 Ca -0.20 -0.67 -0.42 0.00 -0.04 0.00 0.00 63.50 62.17 1c89 n PRO 50 Cb 0.49 -0.56 -0.03 0.00 -0.04 0.00 0.00 33.50 33.36 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 4.34 -0.34 1.53 1.02 -1.26 -3.50 118.68 120.47 1c89 s LEU 51 Ca 0.26 1.62 -0.01 0.00 0.02 0.00 0.00 54.13 56.02 1c89 s LEU 51 Cb -0.02 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.64 1c89 s LEU 51 CO 0.20 -0.29 0.15 0.61 0.02 0.00 0.00 176.35 177.03 1c89 n GLY 52 N 2.95 0.43 3.64 -3.19 0.00 0.13 -5.00 105.19 104.15 1c89 n GLY 52 Ca 0.06 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.70 4.88 0.93 2.61 2.01 -1.05 -4.75 115.64 117.56 1c89 s THR 53 Ca 0.07 1.47 -0.11 0.00 0.31 0.00 0.00 61.69 63.43 1c89 s THR 53 Cb -0.03 -4.07 0.15 0.00 0.01 0.00 0.00 72.50 68.56 1c89 s THR 53 CO 0.09 -0.04 1.10 0.28 -0.69 0.00 0.00 174.62 175.36 1c89 s THR 54 N 2.69 2.46 -1.20 -0.82 -1.32 -1.26 -0.91 115.64 115.29 1c89 s THR 54 Ca 0.33 0.15 -0.18 0.00 -1.21 0.00 0.00 61.69 60.78 1c89 s THR 54 Cb -0.15 -2.39 0.09 0.00 -1.51 0.00 0.00 72.50 68.54 1c89 s THR 54 CO 0.08 -0.20 1.57 -0.22 -2.21 0.00 0.00 174.62 173.64 1c89 s LEU 55 N -6.48 4.15 0.17 9.08 1.98 -0.23 -4.79 118.68 122.55 1c89 s LEU 55 Ca 0.65 -2.36 -0.22 0.00 -2.89 0.00 0.00 54.13 49.31 1c89 s LEU 55 Cb -0.21 -2.52 -0.08 0.00 0.66 0.00 0.00 46.19 44.04 1c89 s LEU 55 CO 0.59 -1.13 0.71 -0.04 -1.89 0.00 0.00 176.35 174.59 1c89 s MET 56 N 3.63 4.36 0.31 1.98 -1.94 -1.26 -1.89 119.30 124.49 1c89 s MET 56 Ca 0.48 0.94 0.26 0.00 -1.71 0.00 0.00 55.69 55.66 1c89 s MET 56 Cb 0.01 -3.10 0.95 0.00 2.01 0.00 0.00 34.83 34.70 1c89 s MET 56 CO 0.01 0.51 1.77 -1.00 -0.01 0.00 0.00 175.02 176.30 1c89 h PRO 57 N 3.99 0.00 0.00 2.03 0.13 -1.93 -3.02 132.00 133.20 1c89 h PRO 57 Ca -0.48 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 1c89 h PRO 57 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1c89 h PRO 57 CO 0.65 0.00 -0.59 0.38 -0.23 0.00 0.00 178.00 178.21 1c89 h ASP 58 N 0.00 0.00 0.13 1.44 3.04 -1.95 -3.29 116.42 115.79 1c89 h ASP 58 Ca 0.00 0.00 -0.35 0.00 -3.24 0.00 0.00 57.03 53.44 1c89 h ASP 58 Cb 0.54 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.81 1c89 h ASP 58 CO 0.00 0.59 -1.85 0.24 -2.04 0.00 0.00 179.24 176.18 1c89 h MET 59 N 0.00 0.27 -4.94 4.15 2.86 -1.95 -3.45 114.93 111.87 1c89 h MET 59 Ca -0.01 -0.47 -0.64 0.00 -2.06 0.00 0.00 59.70 56.53 1c89 h MET 59 Cb 1.09 0.17 -0.17 0.00 0.06 0.00 0.00 31.60 32.76 1c89 h MET 59 CO 0.08 1.22 -0.52 0.08 1.06 0.00 0.00 176.91 178.83 1c89 s VAL 60 N -2.54 5.24 0.00 -2.22 1.01 -1.17 -3.18 120.40 117.54 1c89 s VAL 60 Ca -0.21 0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1c89 s VAL 60 Cb 0.06 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1c89 s VAL 60 CO 0.77 0.28 0.00 2.29 0.00 0.00 0.00 175.10 178.44 1c89 n LYS 61 N 4.89 1.88 -2.07 2.72 2.85 -1.26 -4.62 118.16 122.55 1c89 n LYS 61 Ca -0.14 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.72 1c89 n LYS 61 Cb 0.52 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.87 1c89 n LYS 61 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1c89 s ASN 62 N -1.92 5.41 0.00 -5.58 4.22 -1.26 -4.90 114.94 110.91 1c89 s ASN 62 Ca 0.00 0.41 0.00 0.00 -2.14 0.00 0.00 52.86 51.13 1c89 s ASN 62 Cb 0.00 -2.53 0.00 0.00 1.28 0.00 0.00 41.25 40.00 1c89 s ASN 62 CO 0.00 -2.26 0.00 0.00 -2.04 0.00 0.00 177.10 172.80 1c89 n TYR 63 N 12.23 0.00 -2.30 1.54 4.11 -1.26 -4.60 117.16 126.88 1c89 n TYR 63 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.10 1c89 n TYR 63 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.85 1c89 n TYR 63 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 1c89 n GLU 64 N 0.00 3.80 -1.47 -3.48 -0.58 -1.26 -4.82 120.64 112.84 1c89 n GLU 64 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 1c89 n GLU 64 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1c89 n ASP 65 N 0.00 7.03 -0.36 1.62 5.68 -1.26 -4.52 116.55 124.74 1c89 n ASP 65 Ca 0.00 -2.89 0.02 0.00 -0.50 0.00 0.00 54.79 51.42 1c89 n ASP 65 Cb 0.00 -1.38 0.07 0.00 -1.14 0.00 0.00 41.12 38.68 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 2.02 0.03 3.84 6.12 0.00 -1.26 -4.86 105.19 111.07 1c89 n GLY 66 Ca 0.57 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 46.09 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 4.54 0.00 2.61 -4.23 -1.26 -5.04 115.64 110.52 1c89 s THR 67 Ca 0.11 1.21 0.00 0.00 -1.18 0.00 0.00 61.69 61.82 1c89 s THR 67 Cb 0.06 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.29 1c89 s THR 67 CO 0.07 -0.26 0.00 0.41 -0.54 0.00 0.00 174.62 174.30 1c89 n THR 68 N -0.51 0.00 -2.61 3.99 -1.04 -1.26 -4.99 114.28 107.86 1c89 n THR 68 Ca 0.05 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.67 1c89 n THR 68 Cb 0.54 -0.63 -0.05 0.00 -1.82 0.00 0.00 70.33 68.36 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 -0.99 7.33 0.00 8.00 0.01 -1.26 -5.02 113.70 121.77 1c89 s SER 69 Ca 0.00 2.09 0.00 0.00 1.31 0.00 0.00 55.95 59.35 1c89 s SER 69 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1c89 s SER 69 CO 0.00 -0.08 0.00 -0.81 0.41 0.00 0.00 173.24 172.76 1c89 n PRO 70 N 1.04 0.00 0.00 12.44 -0.04 -1.26 -4.73 135.00 142.46 1c89 n PRO 70 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1c89 n PRO 70 Cb 0.47 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 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 2.09 0.28 2.39 0.55 0.00 -1.26 -3.55 105.19 105.69 1c89 n GLY 71 Ca 0.00 0.76 -0.27 0.00 0.00 0.00 0.00 46.02 46.50 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 6.69 -4.77 0.99 4.77 -1.26 -4.96 117.00 118.45 1c89 n LEU 72 Ca 0.00 -4.09 -0.41 0.00 -0.03 0.00 0.00 56.01 51.49 1c89 n LEU 72 Cb 0.00 -1.31 -0.02 0.00 -2.33 0.00 0.00 43.42 39.76 1c89 n LEU 72 CO 0.00 1.81 0.96 -0.54 -1.33 0.00 0.00 177.39 178.30 1c89 s LYS 73 N -0.91 4.38 0.02 3.23 3.01 -1.23 -3.70 119.74 124.54 1c89 s LYS 73 Ca 0.60 2.19 -0.01 0.00 -1.01 0.00 0.00 55.97 57.74 1c89 s LYS 73 Cb 0.32 -3.08 -0.02 0.00 -1.01 0.00 0.00 37.83 34.04 1c89 s LYS 73 CO -0.15 -0.16 -0.02 -1.54 0.51 0.00 0.00 175.35 173.99 1c89 s SER 74 N -0.50 0.24 0.04 2.83 1.04 -0.80 -4.40 113.70 112.16 1c89 s SER 74 Ca 0.49 -0.52 -0.30 0.00 0.48 0.00 0.00 55.95 56.10 1c89 s SER 74 Cb -0.39 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 65.80 1c89 s SER 74 CO 0.52 -0.33 0.99 -0.69 0.98 0.00 0.00 173.24 174.71 1c89 s VAL 75 N -1.66 4.66 0.02 5.02 1.01 -1.03 0.17 120.40 128.60 1c89 s VAL 75 Ca -0.14 2.01 0.05 0.00 0.00 0.00 0.00 61.98 63.89 1c89 s VAL 75 Cb -0.08 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 1c89 s VAL 75 CO -0.02 0.21 -0.14 -0.69 0.00 0.00 0.00 175.10 174.47 1c89 s VAL 76 N 0.66 1.09 -1.22 2.92 1.01 0.14 -1.67 120.40 123.33 1c89 s VAL 76 Ca 0.51 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 1c89 s VAL 76 Cb -0.23 -0.95 0.10 0.00 0.00 0.00 0.00 36.38 35.31 1c89 s VAL 76 CO 0.29 0.14 1.57 0.00 0.00 0.00 0.00 175.10 177.10 1c89 s ALA 77 N -0.60 3.47 0.63 5.51 0.00 0.17 -0.84 121.76 130.11 1c89 s ALA 77 Ca 0.03 -2.98 0.34 0.00 0.00 0.00 0.00 51.96 49.36 1c89 s ALA 77 Cb -0.07 -4.43 1.93 0.00 0.00 0.00 0.00 23.12 20.55 1c89 s ALA 77 CO 0.00 -3.15 2.17 -0.97 0.00 0.00 0.00 175.76 173.82 1c89 h ASN 78 N 7.77 0.00 -3.95 0.00 -0.00 -1.78 0.17 115.58 117.78 1c89 h ASN 78 Ca 0.36 0.00 -0.12 0.00 -0.00 0.00 0.00 56.30 56.54 1c89 h ASN 78 Cb 0.90 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.21 1c89 h ASN 78 CO 1.37 0.00 -0.06 0.00 -0.00 0.00 0.00 177.43 178.74 1c89 n GLN 79 N -3.38 1.35 -3.99 6.67 1.13 -1.26 -2.55 117.38 115.35 1c89 n GLN 79 Ca -0.01 -0.72 -0.35 0.00 -1.94 0.00 0.00 57.00 53.98 1c89 n GLN 79 Cb 0.23 0.09 -0.11 0.00 0.11 0.00 0.00 30.24 30.55 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 3.57 -0.16 1.08 0.20 -1.26 -3.38 118.68 118.72 1c89 s LEU 80 Ca 0.06 -0.07 0.01 0.00 0.69 0.00 0.00 54.13 54.82 1c89 s LEU 80 Cb -0.00 -1.92 0.02 0.00 -0.43 0.00 0.00 46.19 43.86 1c89 s LEU 80 CO 0.04 0.09 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.36 1c89 s ILE 81 N 0.86 1.98 0.72 6.68 1.01 -0.72 -4.95 121.20 126.77 1c89 s ILE 81 Ca 0.03 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 1c89 s ILE 81 Cb -0.14 -1.79 0.03 0.00 0.01 0.00 0.00 42.46 40.57 1c89 s ILE 81 CO 0.02 0.53 1.08 -2.16 0.00 0.00 0.00 174.94 174.41 1c89 s PRO 82 N 1.19 2.66 0.52 2.79 0.04 -1.26 0.68 135.00 141.62 1c89 s PRO 82 Ca 0.02 1.11 -0.19 0.00 0.04 0.00 0.00 61.00 61.97 1c89 s PRO 82 Cb -0.14 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 1c89 s PRO 82 CO -0.10 -1.33 0.53 -0.89 0.04 0.00 0.00 177.00 175.26 1c89 n ILE 83 N -3.15 2.07 -3.28 0.56 5.41 -1.26 -3.40 119.36 116.32 1c89 n ILE 83 Ca 0.09 -0.50 -0.08 0.00 1.00 0.00 0.00 62.75 63.26 1c89 n ILE 83 Cb 0.53 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.81 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 0.75 -6.91 -3.48 4.38 5.03 -0.03 -4.96 115.26 110.04 1c89 n ASN 84 Ca 0.11 -0.32 -0.23 0.00 0.87 0.00 0.00 54.58 55.02 1c89 n ASN 84 Cb 0.45 -4.20 -0.12 0.00 -1.02 0.00 0.00 39.78 34.89 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 -2.96 -0.24 -0.66 3.41 2.01 -1.22 -4.81 115.64 111.16 1c89 s THR 85 Ca 0.01 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.17 1c89 s THR 85 Cb -0.00 -0.94 -0.13 0.00 0.01 0.00 0.00 72.50 71.44 1c89 s THR 85 CO 0.80 -0.55 2.50 0.00 -0.69 0.00 0.00 174.62 176.68 1c89 n ALA 86 N 5.28 0.64 -2.41 7.40 0.00 -1.25 -3.87 120.51 126.29 1c89 n ALA 86 Ca -0.04 -0.62 -0.33 0.00 0.00 0.00 0.00 53.44 52.45 1c89 n ALA 86 Cb 0.45 -2.81 -0.05 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 10.62 4.20 0.42 0.00 2.34 -0.75 -4.72 118.68 130.79 1c89 s LEU 87 Ca 1.13 0.94 0.03 0.00 0.06 0.00 0.00 54.13 56.29 1c89 s LEU 87 Cb -0.63 -3.60 -0.03 0.00 -0.56 0.00 0.00 46.19 41.37 1c89 s LEU 87 CO 0.37 -0.04 0.09 0.42 -1.06 0.00 0.00 176.35 176.12 1c89 s THR 88 N -1.75 0.87 0.44 5.48 -4.23 -1.26 0.26 115.64 115.45 1c89 s THR 88 Ca 0.45 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.19 1c89 s THR 88 Cb -0.12 -2.40 0.43 0.00 1.34 0.00 0.00 72.50 71.75 1c89 s THR 88 CO 0.21 0.00 1.80 0.17 -0.54 0.00 0.00 174.62 176.26 1c89 h LEU 89 N 1.74 0.32 -1.21 4.79 -0.00 -1.94 0.45 115.31 119.46 1c89 h LEU 89 Ca -0.38 0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 57.49 1c89 h LEU 89 Cb 1.28 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.92 1c89 h LEU 89 CO 0.64 0.07 -0.09 -0.37 -0.00 0.00 0.00 178.44 178.69 1c89 h VAL 90 N 0.29 1.21 0.00 0.15 -1.51 -2.02 -2.74 116.25 111.62 1c89 h VAL 90 Ca 0.56 -0.89 -0.21 0.00 -1.23 0.00 0.00 66.70 64.93 1c89 h VAL 90 Cb 1.62 1.10 -0.03 0.00 -2.13 0.00 0.00 31.29 31.85 1c89 h VAL 90 CO -0.20 0.29 -1.19 0.24 -1.23 0.00 0.00 177.57 175.49 1c89 h MET 91 N 0.41 0.00 -5.72 5.19 2.86 -0.57 -3.45 114.93 113.66 1c89 h MET 91 Ca 0.08 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 57.06 1c89 h MET 91 Cb 0.42 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.97 1c89 h MET 91 CO 0.02 0.63 -0.53 -1.64 1.06 0.00 0.00 176.91 176.45 1c89 s MET 92 N -2.76 3.35 -0.20 1.72 1.00 -0.13 -4.03 119.30 118.24 1c89 s MET 92 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 55.69 55.43 1c89 s MET 92 Cb 0.09 -3.06 0.01 0.00 0.00 0.00 0.00 34.83 31.86 1c89 s MET 92 CO 0.81 0.70 -0.14 0.15 0.00 0.00 0.00 175.02 176.54 1c89 s LYS 93 N -0.83 3.15 -0.71 2.03 1.02 -0.02 -4.69 119.74 119.68 1c89 s LYS 93 Ca 0.13 -0.75 -0.26 0.00 0.02 0.00 0.00 55.97 55.11 1c89 s LYS 93 Cb -0.12 -2.75 -0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1c89 s LYS 93 CO 0.03 -0.20 1.71 0.00 -0.92 0.00 0.00 175.35 175.96 1c89 s ALA 94 N 1.36 2.27 -0.12 5.17 0.00 -1.26 -0.68 121.76 128.50 1c89 s ALA 94 Ca 0.05 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1c89 s ALA 94 Cb -0.14 -4.35 0.01 0.00 0.00 0.00 0.00 23.12 18.65 1c89 s ALA 94 CO -0.09 -3.87 -0.18 -1.21 0.00 0.00 0.00 175.76 170.40 1c89 s GLU 95 N 6.59 2.55 -0.64 0.00 0.41 0.45 -4.67 118.70 123.39 1c89 s GLU 95 Ca 0.58 -0.68 -0.26 0.00 -0.41 0.00 0.00 54.97 54.20 1c89 s GLU 95 Cb -0.10 -2.09 -0.03 0.00 -1.78 0.00 0.00 34.13 30.14 1c89 s GLU 95 CO 0.14 -0.02 1.89 -1.83 -0.49 0.00 0.00 175.26 174.96 1c89 s GLU 96 N 0.84 2.59 0.20 1.61 4.04 -1.26 -1.90 118.70 124.83 1c89 s GLU 96 Ca -0.08 0.54 -0.07 0.00 0.04 0.00 0.00 54.97 55.39 1c89 s GLU 96 Cb -0.15 -4.47 -0.02 0.00 0.02 0.00 0.00 34.13 29.50 1c89 s GLU 96 CO -0.00 -2.84 0.29 0.54 -1.84 0.00 0.00 175.26 171.41 1c89 s VAL 97 N 9.34 0.02 0.11 1.83 0.11 -1.24 -4.83 120.40 125.75 1c89 s VAL 97 Ca 0.69 -1.61 0.04 0.00 -2.93 0.00 0.00 61.98 58.16 1c89 s VAL 97 Cb -0.12 -2.19 -0.04 0.00 -1.53 0.00 0.00 36.38 32.50 1c89 s VAL 97 CO 0.18 -0.11 0.11 -0.44 -3.33 0.00 0.00 175.10 171.52 1c89 s SER 98 N -3.05 5.58 0.71 3.54 0.01 -1.26 -3.77 113.70 115.46 1c89 s SER 98 Ca 0.26 -0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.37 1c89 s SER 98 Cb 0.03 -1.50 0.02 0.00 0.21 0.00 0.00 66.02 64.78 1c89 s SER 98 CO 0.07 0.13 1.07 -2.16 0.41 0.00 0.00 173.24 172.76 1c89 s PRO 99 N -2.68 2.83 -0.64 12.44 0.04 -1.26 -4.51 135.00 141.22 1c89 s PRO 99 Ca 0.30 0.81 -0.24 0.00 0.04 0.00 0.00 61.00 61.91 1c89 s PRO 99 Cb -0.11 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.49 1c89 s PRO 99 CO 0.23 -1.13 1.00 0.15 0.04 0.00 0.00 177.00 177.29 1c89 s LYS 100 N -5.12 3.17 0.00 4.56 3.01 -1.25 -4.93 119.74 119.19 1c89 s LYS 100 Ca 0.58 -0.61 0.00 0.00 -1.01 0.00 0.00 55.97 54.93 1c89 s LYS 100 Cb -0.13 -4.18 0.00 0.00 -1.01 0.00 0.00 37.83 32.51 1c89 s LYS 100 CO 0.54 -1.78 0.00 0.41 0.51 0.00 0.00 175.35 175.03 1c89 n GLY 101 N 5.28 1.29 3.34 -3.33 0.00 -1.25 -4.97 105.19 105.56 1c89 n GLY 101 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 0.32 3.34 1.09 -0.61 1.01 -0.83 -4.90 121.20 120.62 1c89 s ILE 102 Ca 0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 60.65 59.96 1c89 s ILE 102 Cb 0.00 -2.49 0.24 0.00 0.01 0.00 0.00 42.46 40.22 1c89 s ILE 102 CO 0.00 0.46 1.15 -2.16 0.00 0.00 0.00 174.94 174.39 1c89 s PRO 103 N 1.10 -0.35 -0.30 2.79 0.04 -1.26 -2.45 135.00 134.56 1c89 s PRO 103 Ca 0.01 -0.02 -0.01 0.00 0.04 0.00 0.00 61.00 61.02 1c89 s PRO 103 Cb -0.15 -1.69 0.19 0.00 0.04 0.00 0.00 34.50 32.89 1c89 s PRO 103 CO -0.01 -3.14 2.08 0.45 0.04 0.00 0.00 177.00 176.42 1c89 n SER 104 N -4.36 6.40 -0.08 6.66 2.88 -1.26 -4.31 113.62 119.54 1c89 n SER 104 Ca 0.12 -3.03 -0.21 0.00 -1.33 0.00 0.00 58.87 54.42 1c89 n SER 104 Cb 0.59 -1.08 -0.12 0.00 -0.75 0.00 0.00 64.21 62.85 1c89 n SER 104 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1c89 h GLU 105 N 1.55 0.04 0.00 -1.46 4.81 -1.95 -3.38 114.58 114.19 1c89 h GLU 105 Ca 0.28 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1c89 h GLU 105 Cb 0.91 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1c89 h GLU 105 CO 0.72 1.03 -0.76 0.39 -0.73 0.00 0.00 179.01 179.66 1c89 n GLU 106 N -4.35 0.02 -0.34 1.92 1.02 -1.26 -4.27 120.64 113.38 1c89 n GLU 106 Ca -0.28 -0.00 0.22 0.00 -0.02 0.00 0.00 57.16 57.08 1c89 n GLU 106 Cb 0.69 -1.51 0.46 0.00 -0.02 0.00 0.00 31.44 31.07 1c89 n GLU 106 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1c89 h ILE 107 N 0.00 0.45 -0.85 -3.67 6.09 -1.78 0.83 117.51 118.58 1c89 h ILE 107 Ca 0.00 -0.15 0.22 0.00 -1.37 0.00 0.00 64.86 63.56 1c89 h ILE 107 Cb 0.52 -0.03 -0.14 0.00 0.47 0.00 0.00 36.82 37.64 1c89 h ILE 107 CO 0.00 0.08 0.15 0.77 -3.07 0.00 0.00 178.15 176.08 1c89 h SER 108 N 0.44 -0.15 1.12 2.19 4.64 -1.82 1.58 113.55 121.56 1c89 h SER 108 Ca 0.67 0.20 -0.15 0.00 -0.47 0.00 0.00 61.79 62.04 1c89 h SER 108 Cb 1.50 0.31 -0.02 0.00 -0.31 0.00 0.00 62.40 63.88 1c89 h SER 108 CO -0.45 -0.18 -0.92 0.11 -0.87 0.00 0.00 176.83 174.52 1c89 h LYS 109 N 0.16 0.00 -0.51 4.77 1.57 -1.18 -3.25 116.57 118.14 1c89 h LYS 109 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1c89 h LYS 109 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1c89 h LYS 109 CO -0.68 0.53 0.00 1.28 -0.57 0.00 0.00 179.45 180.01 1c89 n LEU 110 N -3.14 2.90 -4.72 2.94 4.77 0.89 -4.90 117.00 115.73 1c89 n LEU 110 Ca -0.03 -1.42 -0.42 0.00 -0.03 0.00 0.00 56.01 54.11 1c89 n LEU 110 Cb 0.82 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1c89 n LEU 110 CO 0.43 0.71 1.14 -0.69 -1.33 0.00 0.00 177.39 177.65 1c89 s VAL 111 N -1.32 2.92 -0.40 4.08 1.01 0.51 -1.93 120.40 125.26 1c89 s VAL 111 Ca 0.37 0.67 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1c89 s VAL 111 Cb 0.19 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1c89 s VAL 111 CO 0.26 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1c89 n GLY 112 N 3.49 0.67 3.79 4.51 0.00 0.73 -4.91 105.19 113.47 1c89 n GLY 112 Ca 0.12 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.99 4.50 0.09 1.61 0.00 -0.81 -4.31 119.30 118.40 1c89 s MET 113 Ca 0.00 1.29 -0.29 0.00 0.00 0.00 0.00 55.69 56.68 1c89 s MET 113 Cb 0.00 -2.66 -0.06 0.00 0.00 0.00 0.00 34.83 32.11 1c89 s MET 113 CO 0.00 0.21 0.94 -0.65 0.00 0.00 0.00 175.02 175.52 1c89 s GLN 114 N -2.31 4.67 0.36 3.16 -0.21 -1.26 -1.81 119.66 122.26 1c89 s GLN 114 Ca 0.53 1.41 -0.10 0.00 0.02 0.00 0.00 55.36 57.22 1c89 s GLN 114 Cb -0.17 -3.38 -0.07 0.00 1.00 0.00 0.00 33.01 30.40 1c89 s GLN 114 CO 0.21 0.20 0.72 0.54 -2.12 0.00 0.00 175.29 174.84 1c89 s VAL 115 N 0.08 4.82 -1.74 1.09 0.11 -1.25 -4.81 120.40 118.70 1c89 s VAL 115 Ca 0.46 0.56 0.21 0.00 -2.93 0.00 0.00 61.98 60.29 1c89 s VAL 115 Cb -0.23 -3.71 -0.06 0.00 -1.53 0.00 0.00 36.38 30.85 1c89 s VAL 115 CO 0.29 -0.41 1.02 -3.20 -3.33 0.00 0.00 175.10 169.46 1c89 n ASN 116 N -1.04 1.75 -4.47 3.54 4.05 -1.26 -0.85 115.26 116.99 1c89 n ASN 116 Ca 0.02 -1.38 -0.23 0.00 0.45 0.00 0.00 54.58 53.45 1c89 n ASN 116 Cb 0.54 0.60 -0.10 0.00 1.23 0.00 0.00 39.78 42.04 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 -2.54 1.64 0.24 1.20 1.81 -1.25 -4.68 118.95 115.38 1c89 s ARG 117 Ca 0.15 -1.86 -0.30 0.00 -1.72 0.00 0.00 55.73 52.01 1c89 s ARG 117 Cb 0.17 -1.23 -0.09 0.00 -0.45 0.00 0.00 34.95 33.35 1c89 s ARG 117 CO 0.62 0.01 0.97 0.00 -0.68 0.00 0.00 175.30 176.22 1c89 s ALA 118 N -2.97 3.35 -0.05 2.13 0.00 -1.26 -4.00 121.76 118.95 1c89 s ALA 118 Ca 0.32 0.67 0.05 0.00 0.00 0.00 0.00 51.96 52.99 1c89 s ALA 118 Cb 0.05 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1c89 s ALA 118 CO 0.14 0.13 -0.19 0.08 0.00 0.00 0.00 175.76 175.92 1c89 s VAL 119 N -1.12 2.62 0.00 0.00 1.01 0.21 -4.88 120.40 118.25 1c89 s VAL 119 Ca 0.42 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1c89 s VAL 119 Cb -0.27 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1c89 s VAL 119 CO 0.34 0.58 0.00 -1.22 0.00 0.00 0.00 175.10 174.80 1c89 n TYR 120 N 2.52 -2.80 0.00 5.22 4.01 -1.26 -1.76 117.16 123.08 1c89 n TYR 120 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1c89 n TYR 120 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1c89 n TYR 120 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1c89 n LEU 121 N 0.00 0.00 -4.37 7.72 7.99 -1.22 -4.01 117.00 123.11 1c89 n LEU 121 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.86 1c89 n LEU 121 Cb 0.00 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.18 1c89 n LEU 121 CO 0.00 0.00 1.57 -0.90 -1.51 0.00 0.00 177.39 176.55 1c89 n ASP 122 N 0.00 -0.92 -4.47 -1.43 5.68 -0.06 -4.43 116.55 110.92 1c89 n ASP 122 Ca 0.00 -1.09 -0.26 0.00 -0.50 0.00 0.00 54.79 52.94 1c89 n ASP 122 Cb 0.00 -0.81 -0.11 0.00 -1.14 0.00 0.00 41.12 39.06 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 6.84 1.67 0.36 0.11 2.00 -0.59 -4.57 119.66 125.49 1c89 s GLN 123 Ca 0.85 -1.49 -0.25 0.00 -2.00 0.00 0.00 55.36 52.47 1c89 s GLN 123 Cb -0.44 -1.92 -0.10 0.00 0.80 0.00 0.00 33.01 31.35 1c89 s GLN 123 CO 0.31 0.40 0.97 0.99 -0.50 0.00 0.00 175.29 177.46 1c89 s THR 124 N -1.78 4.10 -0.06 -0.34 2.01 -1.26 0.44 115.64 118.75 1c89 s THR 124 Ca 0.23 1.63 -0.29 0.00 0.31 0.00 0.00 61.69 63.56 1c89 s THR 124 Cb -0.08 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 1c89 s THR 124 CO 0.12 0.03 0.98 -0.22 -0.69 0.00 0.00 174.62 174.83 1c89 s LEU 125 N -2.40 4.30 0.08 4.42 2.96 -0.67 -4.81 118.68 122.55 1c89 s LEU 125 Ca 0.54 1.56 0.07 0.00 -0.22 0.00 0.00 54.13 56.08 1c89 s LEU 125 Cb -0.18 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1c89 s LEU 125 CO 0.23 -0.36 -0.19 -0.04 -1.32 0.00 0.00 176.35 174.68 1c89 s MET 126 N 1.56 1.07 0.34 1.98 -1.94 -1.26 -1.97 119.30 119.09 1c89 s MET 126 Ca 0.49 -1.03 0.27 0.00 -1.71 0.00 0.00 55.69 53.71 1c89 s MET 126 Cb -0.19 -1.23 0.99 0.00 2.01 0.00 0.00 34.83 36.41 1c89 s MET 126 CO 0.22 0.29 1.78 -1.00 -0.01 0.00 0.00 175.02 176.30 1c89 h PRO 127 N 4.36 0.00 -0.00 2.03 0.13 -1.91 -2.67 132.00 133.93 1c89 h PRO 127 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1c89 h PRO 127 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1c89 h PRO 127 CO 0.41 0.00 -0.05 -0.40 -0.23 0.00 0.00 178.00 177.72 1c89 n ASP 128 N -2.53 0.38 -0.09 1.44 5.68 -1.26 -3.88 116.55 116.28 1c89 n ASP 128 Ca 0.03 -0.69 -0.23 0.00 -0.50 0.00 0.00 54.79 53.39 1c89 n ASP 128 Cb 0.31 -0.08 -0.12 0.00 -1.14 0.00 0.00 41.12 40.09 1c89 n ASP 128 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 1c89 n MET 129 N -0.91 0.61 -3.24 0.11 1.56 -1.01 -4.85 117.12 109.39 1c89 n MET 129 Ca 0.17 0.44 -0.39 0.00 -0.27 0.00 0.00 57.70 57.65 1c89 n MET 129 Cb 0.24 -1.68 -0.07 0.00 2.15 0.00 0.00 33.22 33.86 1c89 n MET 129 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1c89 s VAL 130 N -2.43 5.10 -0.78 1.12 1.01 -1.25 -3.92 120.40 119.24 1c89 s VAL 130 Ca -0.30 0.97 0.26 0.00 0.00 0.00 0.00 61.98 62.91 1c89 s VAL 130 Cb 0.08 -3.85 0.22 0.00 0.00 0.00 0.00 36.38 32.83 1c89 s VAL 130 CO 0.60 0.18 1.71 2.29 0.00 0.00 0.00 175.10 179.87 1c89 n LYS 131 N 4.77 0.20 -0.43 2.72 2.85 -1.26 -3.30 118.16 123.71 1c89 n LYS 131 Ca -0.05 0.14 0.05 0.00 -1.05 0.00 0.00 58.31 57.40 1c89 n LYS 131 Cb 0.50 -1.71 0.22 0.00 -0.65 0.00 0.00 35.03 33.39 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 -2.05 3.29 -4.75 -5.58 2.85 -1.26 -4.92 115.26 102.83 1c89 n ASN 132 Ca 0.05 -2.37 -0.41 0.00 -0.11 0.00 0.00 54.58 51.74 1c89 n ASN 132 Cb 0.41 -0.51 -0.04 0.00 1.24 0.00 0.00 39.78 40.88 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 -1.84 3.42 -1.34 1.20 5.04 -1.21 -5.14 117.35 117.49 1c89 s TYR 133 Ca 0.30 1.53 0.11 0.00 -2.44 0.00 0.00 57.07 56.57 1c89 s TYR 133 Cb 0.21 -3.42 0.08 0.00 0.35 0.00 0.00 41.96 39.19 1c89 s TYR 133 CO 0.12 -1.07 0.84 -0.85 -1.34 0.00 0.00 175.55 173.25