#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 -2.13 -2.25 1.20 5.02 -1.26 -4.94 118.16 113.81 1c89 n LYS 2 Ca 0.00 -1.73 -0.40 0.00 -2.02 0.00 0.00 58.31 54.16 1c89 n LYS 2 Cb 0.00 -1.38 -0.02 0.00 -0.02 0.00 0.00 35.03 33.60 1c89 n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c89 s ALA 3 N -3.47 3.33 0.43 7.82 0.00 -1.26 -4.63 121.76 123.97 1c89 s ALA 3 Ca 0.67 1.08 0.07 0.00 0.00 0.00 0.00 51.96 53.78 1c89 s ALA 3 Cb -0.04 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1c89 s ALA 3 CO 0.49 -0.52 0.31 0.45 0.00 0.00 0.00 175.76 176.49 1c89 s SER 4 N -0.82 4.78 -0.91 0.00 0.15 0.39 -4.02 113.70 113.26 1c89 s SER 4 Ca 0.52 -0.92 -0.22 0.00 0.70 0.00 0.00 55.95 56.03 1c89 s SER 4 Cb -0.35 -0.44 0.08 0.00 -1.71 0.00 0.00 66.02 63.60 1c89 s SER 4 CO 0.45 -0.66 1.26 -0.69 1.20 0.00 0.00 173.24 174.80 1c89 s VAL 5 N -2.55 4.24 -0.37 4.45 1.01 -0.94 -2.47 120.40 123.77 1c89 s VAL 5 Ca 0.44 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 1c89 s VAL 5 Cb -0.00 -4.90 0.03 0.00 0.00 0.00 0.00 36.38 31.50 1c89 s VAL 5 CO 0.25 -1.72 0.19 -0.69 0.00 0.00 0.00 175.10 173.14 1c89 s VAL 6 N 4.13 4.47 0.17 2.92 1.01 0.62 -0.52 120.40 133.20 1c89 s VAL 6 Ca 0.37 -0.88 -0.33 0.00 0.00 0.00 0.00 61.98 61.13 1c89 s VAL 6 Cb -0.05 -3.50 -0.14 0.00 0.00 0.00 0.00 36.38 32.70 1c89 s VAL 6 CO -0.05 -0.22 1.56 0.00 0.00 0.00 0.00 175.10 176.39 1c89 n ALA 7 N 4.97 1.38 0.05 5.51 0.00 0.87 -1.10 120.51 132.19 1c89 n ALA 7 Ca -0.12 0.44 -0.22 0.00 0.00 0.00 0.00 53.44 53.55 1c89 n ALA 7 Cb 0.46 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 17.42 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 5.72 0.51 -1.96 0.00 -1.07 -1.76 0.90 115.58 117.92 1c89 h ASN 8 Ca -0.45 -0.91 -0.47 0.00 0.07 0.00 0.00 56.30 54.54 1c89 h ASN 8 Cb 1.25 -0.17 0.08 0.00 -2.07 0.00 0.00 38.32 37.42 1c89 h ASN 8 CO 0.87 1.55 0.11 0.00 0.07 0.00 0.00 177.43 180.03 1c89 s GLN 9 N -2.48 1.60 -0.05 4.14 -2.07 -1.26 -1.95 119.66 117.60 1c89 s GLN 9 Ca -0.15 -1.21 -0.20 0.00 -1.82 0.00 0.00 55.36 51.98 1c89 s GLN 9 Cb 0.03 -2.34 -0.05 0.00 -1.09 0.00 0.00 33.01 29.56 1c89 s GLN 9 CO 0.83 -1.50 0.56 -1.17 -1.32 0.00 0.00 175.29 172.69 1c89 s LEU 10 N -5.15 4.37 -0.14 2.60 0.20 -1.26 -4.13 118.68 115.17 1c89 s LEU 10 Ca 0.67 1.05 -0.03 0.00 0.69 0.00 0.00 54.13 56.51 1c89 s LEU 10 Cb -0.05 -2.86 -0.03 0.00 -0.43 0.00 0.00 46.19 42.83 1c89 s LEU 10 CO 0.45 0.06 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.90 1c89 s ILE 11 N 0.12 3.96 0.00 6.68 -1.09 0.95 -4.94 121.20 126.88 1c89 s ILE 11 Ca 0.30 -0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.37 1c89 s ILE 11 Cb -0.17 -2.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.99 1c89 s ILE 11 CO 0.15 0.52 0.00 -0.81 -1.23 0.00 0.00 174.94 173.57 1c89 n PRO 12 N 3.24 0.35 -3.37 2.79 -0.04 -1.26 0.26 135.00 136.96 1c89 n PRO 12 Ca -0.18 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.96 1c89 n PRO 12 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.39 4.89 -0.76 0.52 1.09 -1.26 -4.11 121.20 121.19 1c89 s ILE 13 Ca 0.00 0.57 -0.02 0.00 -1.10 0.00 0.00 60.65 60.11 1c89 s ILE 13 Cb 0.00 -3.63 0.00 0.00 -1.06 0.00 0.00 42.46 37.77 1c89 s ILE 13 CO 0.00 -0.05 0.65 0.59 -0.10 0.00 0.00 174.94 176.03 1c89 n ASN 14 N -0.07 -6.49 -3.78 3.58 3.02 -0.63 -4.93 115.26 105.98 1c89 n ASN 14 Ca 0.00 -0.43 -0.14 0.00 -0.03 0.00 0.00 54.58 53.98 1c89 n ASN 14 Cb 0.52 -3.66 -0.15 0.00 -0.61 0.00 0.00 39.78 35.88 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 -2.93 -0.05 -0.95 3.41 2.01 -1.26 -4.84 115.64 111.04 1c89 s THR 15 Ca 0.02 0.17 -0.24 0.00 0.31 0.00 0.00 61.69 61.95 1c89 s THR 15 Cb -0.00 -0.13 0.03 0.00 0.01 0.00 0.00 72.50 72.41 1c89 s THR 15 CO 0.82 0.07 1.51 0.00 -0.69 0.00 0.00 174.62 176.33 1c89 s ALA 16 N 0.92 2.54 0.74 7.40 0.00 -1.26 -3.39 121.76 128.71 1c89 s ALA 16 Ca -0.07 -1.96 -0.17 0.00 0.00 0.00 0.00 51.96 49.76 1c89 s ALA 16 Cb -0.10 -4.48 -0.13 0.00 0.00 0.00 0.00 23.12 18.40 1c89 s ALA 16 CO -0.03 -3.76 -0.28 1.28 0.00 0.00 0.00 175.76 172.97 1c89 n LEU 17 N 9.85 -3.82 -4.78 0.00 4.77 -1.07 -4.06 117.00 117.89 1c89 n LEU 17 Ca 0.29 0.46 -0.33 0.00 -0.03 0.00 0.00 56.01 56.40 1c89 n LEU 17 Cb 0.50 -0.88 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 1c89 n LEU 17 CO 0.66 -4.99 -0.23 0.42 -1.33 0.00 0.00 177.39 171.92 1c89 s THR 18 N -2.00 1.17 0.13 -5.08 -4.23 -1.26 0.26 115.64 104.64 1c89 s THR 18 Ca 0.52 -1.95 -0.12 0.00 -1.18 0.00 0.00 61.69 58.95 1c89 s THR 18 Cb -0.35 -2.13 -0.05 0.00 1.34 0.00 0.00 72.50 71.32 1c89 s THR 18 CO 0.71 0.00 1.47 -0.07 -0.54 0.00 0.00 174.62 176.19 1c89 h LEU 19 N 1.28 0.95 -1.19 4.79 3.38 -1.94 -2.78 115.31 119.80 1c89 h LEU 19 Ca -0.43 -0.46 -0.09 0.00 0.09 0.00 0.00 57.88 56.99 1c89 h LEU 19 Cb 1.32 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1c89 h LEU 19 CO 0.72 1.21 -0.41 0.40 0.09 0.00 0.00 178.44 180.46 1c89 h ILE 20 N 0.70 1.28 -0.00 1.22 5.03 -2.02 -2.18 117.51 121.53 1c89 h ILE 20 Ca 0.06 -1.40 0.00 0.00 -0.12 0.00 0.00 64.86 63.41 1c89 h ILE 20 Cb 0.93 1.76 0.00 0.00 -3.03 0.00 0.00 36.82 36.48 1c89 h ILE 20 CO 0.09 0.40 -0.03 0.23 -0.68 0.00 0.00 178.15 178.16 1c89 n MET 21 N -4.04 0.90 -4.17 2.37 2.81 -1.13 -4.73 117.12 109.13 1c89 n MET 21 Ca -0.02 -0.19 -0.34 0.00 -1.81 0.00 0.00 57.70 55.34 1c89 n MET 21 Cb 0.44 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.32 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 -2.23 3.48 -0.21 0.03 -2.45 -0.82 -2.26 119.30 114.83 1c89 s MET 22 Ca 0.38 -0.60 -0.04 0.00 -1.25 0.00 0.00 55.69 54.18 1c89 s MET 22 Cb 0.21 -2.95 -0.01 0.00 1.25 0.00 0.00 34.83 33.33 1c89 s MET 22 CO 0.41 -0.01 -0.03 0.15 1.05 0.00 0.00 175.02 176.59 1c89 s LYS 23 N 1.00 3.43 -1.35 4.11 1.02 -0.26 -4.87 119.74 122.82 1c89 s LYS 23 Ca 0.00 -0.60 -0.12 0.00 0.02 0.00 0.00 55.97 55.27 1c89 s LYS 23 Cb -0.15 -3.02 0.11 0.00 -0.52 0.00 0.00 37.83 34.25 1c89 s LYS 23 CO 0.00 -0.14 1.99 0.00 -0.92 0.00 0.00 175.35 176.28 1c89 n ALA 24 N 4.65 5.23 -2.87 5.17 0.00 -1.25 -0.28 120.51 131.17 1c89 n ALA 24 Ca -0.18 -4.09 -0.30 0.00 0.00 0.00 0.00 53.44 48.87 1c89 n ALA 24 Cb 0.51 -3.27 -0.05 0.00 0.00 0.00 0.00 19.45 16.64 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 1.93 3.21 -1.05 0.00 2.12 -1.03 -4.58 118.70 119.29 1c89 s GLU 25 Ca 0.44 -0.58 -0.17 0.00 0.36 0.00 0.00 54.97 55.02 1c89 s GLU 25 Cb 0.10 -2.90 0.14 0.00 0.26 0.00 0.00 34.13 31.73 1c89 s GLU 25 CO -0.03 0.57 1.29 0.08 -0.54 0.00 0.00 175.26 176.63 1c89 s VAL 26 N -1.52 4.74 0.27 3.70 1.01 -1.26 -0.46 120.40 126.88 1c89 s VAL 26 Ca 0.33 -1.90 0.02 0.00 0.00 0.00 0.00 61.98 60.43 1c89 s VAL 26 Cb -0.12 -4.87 -0.04 0.00 0.00 0.00 0.00 36.38 31.34 1c89 s VAL 26 CO 0.26 -1.61 0.12 0.68 0.00 0.00 0.00 175.10 174.55 1c89 s VAL 27 N 2.56 0.42 0.32 2.92 -7.23 -1.26 -4.98 120.40 113.14 1c89 s VAL 27 Ca 0.38 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.63 1c89 s VAL 27 Cb -0.03 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 1c89 s VAL 27 CO -0.05 0.00 0.21 0.42 -0.31 0.00 0.00 175.10 175.36 1c89 s THR 28 N -3.74 3.55 0.53 5.32 -4.23 -1.26 -4.06 115.64 111.74 1c89 s THR 28 Ca 0.37 -1.51 -0.18 0.00 -1.18 0.00 0.00 61.69 59.18 1c89 s THR 28 Cb 0.07 -3.14 -0.07 0.00 1.34 0.00 0.00 72.50 70.70 1c89 s THR 28 CO 0.15 -0.23 1.04 -2.16 -0.54 0.00 0.00 174.62 172.89 1c89 s PRO 29 N -3.90 3.63 -0.75 3.99 0.04 -1.26 -4.98 135.00 131.77 1c89 s PRO 29 Ca 0.38 1.29 -0.26 0.00 0.04 0.00 0.00 61.00 62.46 1c89 s PRO 29 Cb -0.05 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 1c89 s PRO 29 CO 0.25 -0.57 2.17 -1.64 0.04 0.00 0.00 177.00 177.25 1c89 s MET 30 N -3.57 2.16 0.00 4.56 -1.94 -1.26 -4.90 119.30 114.36 1c89 s MET 30 Ca 0.66 0.41 0.00 0.00 -1.71 0.00 0.00 55.69 55.05 1c89 s MET 30 Cb -0.16 -4.78 0.00 0.00 2.01 0.00 0.00 34.83 31.90 1c89 s MET 30 CO 0.26 -3.63 0.00 0.41 -0.01 0.00 0.00 175.02 172.05 1c89 n GLY 31 N 6.51 0.84 3.75 -0.03 0.00 -1.26 -4.97 105.19 110.03 1c89 n GLY 31 Ca 0.39 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 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 0.60 4.61 1.17 -0.61 1.01 -1.00 -4.98 121.20 122.00 1c89 s ILE 32 Ca 0.00 1.70 -0.19 0.00 0.00 0.00 0.00 60.65 62.16 1c89 s ILE 32 Cb 0.00 -4.15 0.28 0.00 0.01 0.00 0.00 42.46 38.60 1c89 s ILE 32 CO 0.00 0.40 1.16 -2.16 0.00 0.00 0.00 174.94 174.34 1c89 s PRO 33 N -0.32 -0.95 -0.37 2.79 0.04 -1.26 -2.22 135.00 132.70 1c89 s PRO 33 Ca 0.39 -0.19 0.07 0.00 0.04 0.00 0.00 61.00 61.31 1c89 s PRO 33 Cb -0.22 -1.64 0.68 0.00 0.04 0.00 0.00 34.50 33.36 1c89 s PRO 33 CO 0.25 -3.51 1.82 0.00 0.04 0.00 0.00 177.00 175.59 1c89 n ALA 34 N -4.59 4.96 -0.07 8.56 0.00 -1.26 -4.51 120.51 123.61 1c89 n ALA 34 Ca 0.14 -2.47 -0.12 0.00 0.00 0.00 0.00 53.44 51.00 1c89 n ALA 34 Cb 0.60 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 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 1.78 0.36 -1.06 0.00 5.08 -1.93 -2.91 114.58 115.90 1c89 h GLU 35 Ca 0.43 -0.13 -0.42 0.00 -1.00 0.00 0.00 59.36 58.24 1c89 h GLU 35 Cb 2.52 -0.03 -0.23 0.00 0.50 0.00 0.00 28.75 31.51 1c89 h GLU 35 CO 0.88 0.59 0.54 0.39 -1.00 0.00 0.00 179.01 180.41 1c89 n GLU 36 N -4.67 2.03 -0.34 2.33 -0.58 -1.26 -4.66 120.64 113.50 1c89 n GLU 36 Ca -0.05 -2.33 0.02 0.00 -0.42 0.00 0.00 57.16 54.39 1c89 n GLU 36 Cb 0.25 -1.91 0.08 0.00 -0.57 0.00 0.00 31.44 29.29 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 0.82 0.06 0.00 -3.67 1.08 -1.81 2.32 117.51 116.31 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 2.01 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.82 1c89 h ILE 37 CO 0.93 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.58 1c89 n PRO 38 N -5.54 0.19 -0.11 2.37 -0.04 -1.26 -1.73 135.00 128.88 1c89 n PRO 38 Ca 0.12 0.15 -0.19 0.00 -0.04 0.00 0.00 63.50 63.54 1c89 n PRO 38 Cb 0.43 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.30 1c89 n PRO 38 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1c89 n ASN 39 N -1.32 2.01 0.09 3.54 4.13 0.73 -4.43 115.26 120.01 1c89 n ASN 39 Ca 0.07 0.06 0.12 0.00 1.68 0.00 0.00 54.58 56.51 1c89 n ASN 39 Cb 0.14 -0.47 0.45 0.00 -1.54 0.00 0.00 39.78 38.36 1c89 n ASN 39 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1c89 n LEU 40 N -3.51 0.60 -4.73 3.41 4.32 0.18 -4.76 117.00 112.51 1c89 n LEU 40 Ca -0.40 0.59 -0.36 0.00 -0.02 0.00 0.00 56.01 55.82 1c89 n LEU 40 Cb 0.85 -0.45 0.07 0.00 -1.62 0.00 0.00 43.42 42.27 1c89 n LEU 40 CO 0.12 -0.31 0.88 -0.69 -1.22 0.00 0.00 177.39 176.17 1c89 s VAL 41 N -3.16 2.13 -0.18 4.08 1.01 -0.70 -1.77 120.40 121.80 1c89 s VAL 41 Ca 0.08 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1c89 s VAL 41 Cb 0.12 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1c89 s VAL 41 CO 0.49 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1c89 n GLY 42 N 0.77 0.24 3.69 4.51 0.00 0.72 -4.85 105.19 110.27 1c89 n GLY 42 Ca 0.15 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1c89 n GLY 42 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1c89 s MET 43 N -1.84 4.27 -0.00 1.61 0.00 -0.73 -4.13 119.30 118.48 1c89 s MET 43 Ca 0.00 1.98 -0.30 0.00 0.00 0.00 0.00 55.69 57.37 1c89 s MET 43 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 34.83 31.20 1c89 s MET 43 CO 0.00 -0.60 0.98 -0.65 0.00 0.00 0.00 175.02 174.75 1c89 s GLN 44 N 2.54 4.56 0.60 3.16 -0.21 -1.23 -2.60 119.66 126.47 1c89 s GLN 44 Ca 0.64 1.41 -0.03 0.00 0.02 0.00 0.00 55.36 57.40 1c89 s GLN 44 Cb -0.31 -3.46 0.03 0.00 1.00 0.00 0.00 33.01 30.27 1c89 s GLN 44 CO 0.26 -0.05 0.87 0.14 -2.12 0.00 0.00 175.29 174.40 1c89 s VAL 45 N 1.01 2.85 -0.13 1.09 -7.23 -1.22 -4.19 120.40 112.57 1c89 s VAL 45 Ca 0.52 -0.39 0.20 0.00 -1.81 0.00 0.00 61.98 60.50 1c89 s VAL 45 Cb -0.21 -3.13 -0.20 0.00 0.56 0.00 0.00 36.38 33.40 1c89 s VAL 45 CO 0.28 -0.12 0.63 -3.20 -0.31 0.00 0.00 175.10 172.38 1c89 n ASN 46 N -2.56 0.42 -4.33 4.85 2.85 -1.21 -1.60 115.26 113.67 1c89 n ASN 46 Ca 0.07 0.17 -0.19 0.00 -0.11 0.00 0.00 54.58 54.52 1c89 n ASN 46 Cb 0.59 1.00 -0.10 0.00 1.24 0.00 0.00 39.78 42.51 1c89 n ASN 46 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1c89 s ARG 47 N -3.15 1.53 0.18 1.20 0.52 -1.24 -4.59 118.95 113.40 1c89 s ARG 47 Ca -0.05 -1.85 -0.30 0.00 -0.52 0.00 0.00 55.73 53.01 1c89 s ARG 47 Cb 0.10 -0.48 -0.08 0.00 0.52 0.00 0.00 34.95 35.02 1c89 s ARG 47 CO 0.84 -0.28 1.08 0.00 0.02 0.00 0.00 175.30 176.97 1c89 s ALA 48 N -3.56 3.36 -0.09 2.13 0.00 -1.26 -4.33 121.76 118.02 1c89 s ALA 48 Ca 0.37 0.79 -0.03 0.00 0.00 0.00 0.00 51.96 53.09 1c89 s ALA 48 Cb 0.08 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1c89 s ALA 48 CO 0.15 -0.17 0.04 0.08 0.00 0.00 0.00 175.76 175.86 1c89 s VAL 49 N -0.33 4.66 0.12 0.00 1.01 0.73 -4.95 120.40 121.64 1c89 s VAL 49 Ca 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 1c89 s VAL 49 Cb -0.29 -3.00 0.03 0.00 0.00 0.00 0.00 36.38 33.12 1c89 s VAL 49 CO 0.35 0.58 0.13 -0.81 0.00 0.00 0.00 175.10 175.35 1c89 n PRO 50 N 2.00 -0.74 -3.15 2.72 -0.04 -1.26 -0.03 135.00 134.49 1c89 n PRO 50 Ca -0.18 -0.21 -0.36 0.00 -0.04 0.00 0.00 63.50 62.71 1c89 n PRO 50 Cb 0.54 -0.17 -0.06 0.00 -0.04 0.00 0.00 33.50 33.77 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 4.35 -1.64 1.53 1.02 -1.26 -3.81 118.68 118.87 1c89 s LEU 51 Ca 0.08 1.35 -0.00 0.00 0.02 0.00 0.00 54.13 55.58 1c89 s LEU 51 Cb -0.01 -3.51 0.00 0.00 0.02 0.00 0.00 46.19 42.70 1c89 s LEU 51 CO 0.06 0.05 0.04 0.61 0.02 0.00 0.00 176.35 177.13 1c89 n GLY 52 N 0.77 -0.43 3.72 -3.19 0.00 0.30 -4.95 105.19 101.41 1c89 n GLY 52 Ca -0.03 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 4.98 0.72 2.61 2.01 -0.61 -4.72 115.64 117.65 1c89 s THR 53 Ca 0.02 1.57 -0.12 0.00 0.31 0.00 0.00 61.69 63.47 1c89 s THR 53 Cb -0.01 -4.10 0.03 0.00 0.01 0.00 0.00 72.50 68.43 1c89 s THR 53 CO 0.02 0.25 1.09 0.28 -0.69 0.00 0.00 174.62 175.57 1c89 s THR 54 N 0.73 3.39 -0.81 -0.82 -1.32 -1.26 -0.09 115.64 115.46 1c89 s THR 54 Ca 0.40 0.52 -0.25 0.00 -1.21 0.00 0.00 61.69 61.15 1c89 s THR 54 Cb -0.19 -3.04 -0.02 0.00 -1.51 0.00 0.00 72.50 67.75 1c89 s THR 54 CO 0.20 -0.52 1.77 -0.22 -2.21 0.00 0.00 174.62 173.64 1c89 s LEU 55 N -5.49 3.25 -0.11 9.08 1.98 0.32 -4.80 118.68 122.91 1c89 s LEU 55 Ca 0.63 -0.45 -0.05 0.00 -2.89 0.00 0.00 54.13 51.37 1c89 s LEU 55 Cb -0.18 -2.55 -0.04 0.00 0.66 0.00 0.00 46.19 44.08 1c89 s LEU 55 CO 0.50 -2.34 0.07 -0.32 -1.89 0.00 0.00 176.35 172.38 1c89 s MET 56 N 6.57 3.26 0.21 1.98 -2.45 -1.26 -2.36 119.30 125.24 1c89 s MET 56 Ca 0.62 -0.27 0.24 0.00 -1.25 0.00 0.00 55.69 55.03 1c89 s MET 56 Cb -0.08 -3.01 0.91 0.00 1.25 0.00 0.00 34.83 33.90 1c89 s MET 56 CO 0.06 0.72 1.72 -0.35 1.05 0.00 0.00 175.02 178.22 1c89 n PRO 57 N 2.14 0.19 0.08 4.11 -0.04 -1.26 -2.27 135.00 137.96 1c89 n PRO 57 Ca -0.19 0.32 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 1c89 n PRO 57 Cb 0.54 -1.80 -0.08 0.00 -0.04 0.00 0.00 33.50 32.13 1c89 n PRO 57 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1c89 h ASP 58 N 0.00 0.46 -0.16 3.54 3.58 -1.97 -3.24 116.42 118.64 1c89 h ASP 58 Ca 0.00 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1c89 h ASP 58 Cb 0.48 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.39 1c89 h ASP 58 CO 0.00 1.25 0.00 0.23 -2.88 0.00 0.00 179.24 177.84 1c89 n MET 59 N -3.66 2.39 -3.99 0.28 2.81 -1.16 -4.85 117.12 108.94 1c89 n MET 59 Ca -0.07 -2.05 -0.34 0.00 -1.81 0.00 0.00 57.70 53.43 1c89 n MET 59 Cb 0.90 -1.48 -0.15 0.00 -0.71 0.00 0.00 33.22 31.78 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 -1.82 2.83 0.00 2.03 1.01 -0.96 -3.33 120.40 120.15 1c89 s VAL 60 Ca 0.32 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1c89 s VAL 60 Cb 0.21 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1c89 s VAL 60 CO 0.31 0.39 0.00 1.17 0.00 0.00 0.00 175.10 176.97 1c89 n LYS 61 N 4.70 0.00 -2.98 2.72 4.81 -1.26 -4.28 118.16 121.87 1c89 n LYS 61 Ca -0.19 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.81 1c89 n LYS 61 Cb 0.49 -0.40 -0.01 0.00 0.02 0.00 0.00 35.03 35.13 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 -2.00 6.88 0.00 3.14 -0.87 -1.26 -4.93 114.94 115.91 1c89 s ASN 62 Ca 0.00 -2.61 0.00 0.00 -1.57 0.00 0.00 52.86 48.68 1c89 s ASN 62 Cb 0.00 -2.38 0.00 0.00 -0.02 0.00 0.00 41.25 38.85 1c89 s ASN 62 CO 0.00 -0.84 0.22 0.00 -2.57 0.00 0.00 177.10 173.91 1c89 n TYR 63 N 5.77 0.00 -4.25 2.20 0.18 -1.26 -4.69 117.16 115.11 1c89 n TYR 63 Ca 0.29 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.93 1c89 n TYR 63 Cb 0.45 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.31 1c89 n TYR 63 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 1c89 s GLU 64 N -0.45 1.26 -0.24 -3.48 1.03 -1.26 -4.74 118.70 110.82 1c89 s GLU 64 Ca 0.00 -1.66 -0.03 0.00 0.03 0.00 0.00 54.97 53.31 1c89 s GLU 64 Cb 0.00 -0.05 0.02 0.00 -0.80 0.00 0.00 34.13 33.31 1c89 s GLU 64 CO 0.00 -0.30 2.62 -0.25 -1.33 0.00 0.00 175.26 176.00 1c89 n ASP 65 N -0.34 6.02 -2.17 0.83 8.00 -1.26 -4.40 116.55 123.23 1c89 n ASP 65 Ca -0.01 -2.88 -0.23 0.00 0.71 0.00 0.00 54.79 52.39 1c89 n ASP 65 Cb 0.66 -1.21 0.18 0.00 -0.02 0.00 0.00 41.12 40.73 1c89 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c89 n GLY 66 N 1.18 4.53 3.59 0.44 0.00 -1.26 -4.94 105.19 108.74 1c89 n GLY 66 Ca 0.34 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.30 3.81 -0.08 2.61 -4.23 -1.26 -4.88 115.64 108.31 1c89 s THR 67 Ca 0.56 0.80 -0.06 0.00 -1.18 0.00 0.00 61.69 61.82 1c89 s THR 67 Cb 0.48 -4.15 -0.02 0.00 1.34 0.00 0.00 72.50 70.14 1c89 s THR 67 CO 0.10 -0.78 -0.11 0.41 -0.54 0.00 0.00 174.62 173.71 1c89 n THR 68 N 7.11 0.75 -2.69 3.99 -1.04 -1.26 -4.81 114.28 116.32 1c89 n THR 68 Ca 0.17 0.35 -0.43 0.00 -2.04 0.00 0.00 64.05 62.10 1c89 n THR 68 Cb 0.48 -1.97 -0.03 0.00 -1.82 0.00 0.00 70.33 67.00 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 -4.73 6.66 0.00 8.00 0.01 -1.26 -4.96 113.70 117.42 1c89 s SER 69 Ca -0.09 0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1c89 s SER 69 Cb 0.01 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1c89 s SER 69 CO 0.13 -1.08 0.00 -0.81 0.41 0.00 0.00 173.24 171.89 1c89 n PRO 70 N 7.35 0.00 0.00 12.44 -0.04 -1.26 -4.75 135.00 148.73 1c89 n PRO 70 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1c89 n PRO 70 Cb 0.48 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 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 1.98 0.37 2.39 0.55 0.00 -1.26 -4.08 105.19 105.14 1c89 n GLY 71 Ca 0.00 0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 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 6.94 -4.77 0.99 4.77 -1.26 -4.96 117.00 118.71 1c89 n LEU 72 Ca 0.00 -4.19 -0.41 0.00 -0.03 0.00 0.00 56.01 51.38 1c89 n LEU 72 Cb 0.00 -1.33 -0.02 0.00 -2.33 0.00 0.00 43.42 39.74 1c89 n LEU 72 CO 0.00 1.85 0.95 -0.54 -1.33 0.00 0.00 177.39 178.32 1c89 s LYS 73 N -0.79 4.41 0.05 3.23 1.02 -1.26 -3.61 119.74 122.78 1c89 s LYS 73 Ca 0.60 2.14 -0.03 0.00 0.02 0.00 0.00 55.97 58.70 1c89 s LYS 73 Cb 0.30 -3.09 -0.02 0.00 -0.52 0.00 0.00 37.83 34.49 1c89 s LYS 73 CO -0.14 -0.12 0.03 -1.54 -0.92 0.00 0.00 175.35 172.67 1c89 s SER 74 N -0.52 0.32 0.03 2.83 1.04 0.06 -4.53 113.70 112.94 1c89 s SER 74 Ca 0.48 -0.76 -0.30 0.00 0.48 0.00 0.00 55.95 55.85 1c89 s SER 74 Cb -0.38 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 1c89 s SER 74 CO 0.50 -0.55 1.06 -0.69 0.98 0.00 0.00 173.24 174.54 1c89 s VAL 75 N -3.24 4.51 -0.00 5.02 1.01 0.21 -0.29 120.40 127.63 1c89 s VAL 75 Ca 0.00 1.83 0.02 0.00 0.00 0.00 0.00 61.98 63.83 1c89 s VAL 75 Cb 0.03 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 1c89 s VAL 75 CO -0.07 0.16 -0.07 -0.69 0.00 0.00 0.00 175.10 174.43 1c89 s VAL 76 N 0.93 0.51 -0.88 2.92 1.01 -0.61 -0.33 120.40 123.95 1c89 s VAL 76 Ca 0.54 -0.28 -0.22 0.00 0.00 0.00 0.00 61.98 62.02 1c89 s VAL 76 Cb -0.24 -0.44 0.08 0.00 0.00 0.00 0.00 36.38 35.78 1c89 s VAL 76 CO 0.29 0.14 1.20 0.00 0.00 0.00 0.00 175.10 176.73 1c89 s ALA 77 N -0.16 3.06 0.26 5.51 0.00 0.22 0.12 121.76 130.76 1c89 s ALA 77 Ca 0.02 -2.28 -0.03 0.00 0.00 0.00 0.00 51.96 49.67 1c89 s ALA 77 Cb -0.03 -4.17 0.38 0.00 0.00 0.00 0.00 23.12 19.30 1c89 s ALA 77 CO -0.00 -3.16 1.88 -0.97 0.00 0.00 0.00 175.76 173.51 1c89 h ASN 78 N 9.39 1.02 -4.97 0.00 -1.24 -1.75 -0.23 115.58 117.80 1c89 h ASN 78 Ca 0.03 0.01 -0.21 0.00 0.71 0.00 0.00 56.30 56.84 1c89 h ASN 78 Cb 1.03 -0.21 0.02 0.00 0.73 0.00 0.00 38.32 39.89 1c89 h ASN 78 CO 1.24 0.66 -0.01 0.00 -1.29 0.00 0.00 177.43 178.03 1c89 n GLN 79 N -4.51 0.71 -3.62 6.67 6.02 -1.26 -0.41 117.38 120.99 1c89 n GLN 79 Ca 0.15 -1.35 -0.36 0.00 -0.01 0.00 0.00 57.00 55.42 1c89 n GLN 79 Cb 0.16 -0.15 -0.07 0.00 1.02 0.00 0.00 30.24 31.20 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1c89 s LEU 80 N 0.00 4.23 -0.11 1.08 0.20 -1.25 -3.73 118.68 119.10 1c89 s LEU 80 Ca 0.28 0.39 0.03 0.00 0.69 0.00 0.00 54.13 55.52 1c89 s LEU 80 Cb -0.02 -2.25 0.01 0.00 -0.43 0.00 0.00 46.19 43.50 1c89 s LEU 80 CO 0.18 0.14 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.52 1c89 s ILE 81 N 0.40 1.98 0.47 6.68 1.09 -0.78 -4.96 121.20 126.07 1c89 s ILE 81 Ca 0.13 -0.95 -0.22 0.00 -1.10 0.00 0.00 60.65 58.51 1c89 s ILE 81 Cb -0.12 -1.73 -0.08 0.00 -1.06 0.00 0.00 42.46 39.47 1c89 s ILE 81 CO 0.01 0.54 1.09 -2.16 -0.10 0.00 0.00 174.94 174.32 1c89 s PRO 82 N 0.58 3.79 0.90 2.79 0.04 -1.26 -0.54 135.00 141.29 1c89 s PRO 82 Ca -0.13 1.55 -0.17 0.00 0.04 0.00 0.00 61.00 62.28 1c89 s PRO 82 Cb -0.17 -2.26 -0.13 0.00 0.04 0.00 0.00 34.50 31.99 1c89 s PRO 82 CO 0.04 -0.47 -0.51 -0.89 0.04 0.00 0.00 177.00 175.21 1c89 n ILE 83 N -0.70 0.09 -3.59 0.56 5.41 -1.25 -3.29 119.36 116.58 1c89 n ILE 83 Ca 0.08 -0.46 -0.21 0.00 1.00 0.00 0.00 62.75 63.16 1c89 n ILE 83 Cb 0.50 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.34 1c89 n ILE 83 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1c89 n ASN 84 N 2.65 -5.59 -3.51 4.38 2.85 0.25 -4.95 115.26 111.34 1c89 n ASN 84 Ca 0.01 -0.66 -0.22 0.00 -0.11 0.00 0.00 54.58 53.61 1c89 n ASN 84 Cb 0.54 -2.50 -0.14 0.00 1.24 0.00 0.00 39.78 38.93 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1c89 s THR 85 N -2.81 -0.24 -0.87 -0.44 2.01 -1.21 -4.82 115.64 107.26 1c89 s THR 85 Ca 0.05 -0.31 -0.18 0.00 0.31 0.00 0.00 61.69 61.56 1c89 s THR 85 Cb -0.01 -0.77 -0.23 0.00 0.01 0.00 0.00 72.50 71.51 1c89 s THR 85 CO 0.86 -0.36 2.28 0.00 -0.69 0.00 0.00 174.62 176.70 1c89 n ALA 86 N 5.30 0.68 -1.90 7.40 0.00 -1.26 -3.87 120.51 126.85 1c89 n ALA 86 Ca -0.05 -1.16 -0.40 0.00 0.00 0.00 0.00 53.44 51.82 1c89 n ALA 86 Cb 0.47 -2.87 -0.06 0.00 0.00 0.00 0.00 19.45 17.00 1c89 n ALA 86 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1c89 s LEU 87 N 8.38 4.61 0.42 0.00 2.34 -0.94 -4.69 118.68 128.79 1c89 s LEU 87 Ca 1.08 1.90 0.03 0.00 0.06 0.00 0.00 54.13 57.21 1c89 s LEU 87 Cb -0.43 -3.60 -0.04 0.00 -0.56 0.00 0.00 46.19 41.56 1c89 s LEU 87 CO 0.29 0.09 0.06 0.42 -1.06 0.00 0.00 176.35 176.16 1c89 s THR 88 N -0.83 1.06 0.57 5.48 -4.23 -1.26 0.12 115.64 116.55 1c89 s THR 88 Ca 0.43 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 59.28 1c89 s THR 88 Cb -0.25 -2.48 0.50 0.00 1.34 0.00 0.00 72.50 71.61 1c89 s THR 88 CO 0.31 0.00 1.73 0.17 -0.54 0.00 0.00 174.62 176.29 1c89 h LEU 89 N 1.74 0.00 0.18 4.79 -0.00 -1.95 0.16 115.31 120.23 1c89 h LEU 89 Ca -0.40 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.48 1c89 h LEU 89 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.92 1c89 h LEU 89 CO 0.67 0.00 -0.21 0.58 -0.00 0.00 0.00 178.44 179.48 1c89 h VAL 90 N 0.00 0.00 -0.00 0.15 2.07 -2.00 -2.49 116.25 113.98 1c89 h VAL 90 Ca 0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.02 1c89 h VAL 90 Cb 2.23 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1c89 h VAL 90 CO -0.01 0.00 -0.05 0.23 0.02 0.00 0.00 177.57 177.76 1c89 n MET 91 N -3.63 0.31 -3.53 1.57 2.81 -0.73 -4.78 117.12 109.13 1c89 n MET 91 Ca -0.05 -0.04 -0.37 0.00 -1.81 0.00 0.00 57.70 55.43 1c89 n MET 91 Cb 0.19 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.14 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 -2.72 3.87 -0.38 0.03 -2.45 0.49 -3.17 119.30 114.96 1c89 s MET 92 Ca 0.23 0.35 0.01 0.00 -1.25 0.00 0.00 55.69 55.02 1c89 s MET 92 Cb 0.20 -3.17 0.12 0.00 1.25 0.00 0.00 34.83 33.23 1c89 s MET 92 CO 0.50 0.66 0.19 0.15 1.05 0.00 0.00 175.02 177.57 1c89 s LYS 93 N -1.27 1.00 -0.79 4.11 1.02 0.32 -4.69 119.74 119.44 1c89 s LYS 93 Ca 0.26 -1.61 -0.25 0.00 0.02 0.00 0.00 55.97 54.39 1c89 s LYS 93 Cb -0.16 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 1c89 s LYS 93 CO 0.14 -1.11 1.88 0.00 -0.92 0.00 0.00 175.35 175.34 1c89 s ALA 94 N 0.87 1.92 0.27 5.17 0.00 -1.26 -1.57 121.76 127.15 1c89 s ALA 94 Ca 0.15 -1.20 0.09 0.00 0.00 0.00 0.00 51.96 51.00 1c89 s ALA 94 Cb -0.22 -4.45 -0.05 0.00 0.00 0.00 0.00 23.12 18.40 1c89 s ALA 94 CO -0.08 -4.38 -0.13 -2.00 0.00 0.00 0.00 175.76 169.17 1c89 s GLU 95 N 6.92 1.56 -0.59 0.00 2.12 0.61 -4.67 118.70 124.65 1c89 s GLU 95 Ca 0.67 -1.74 -0.27 0.00 0.36 0.00 0.00 54.97 53.99 1c89 s GLU 95 Cb -0.09 -1.40 -0.02 0.00 0.26 0.00 0.00 34.13 32.88 1c89 s GLU 95 CO 0.08 0.18 1.88 -2.00 -0.54 0.00 0.00 175.26 174.86 1c89 s GLU 96 N -3.62 2.64 -0.02 4.30 -6.30 -1.26 -0.76 118.70 113.68 1c89 s GLU 96 Ca 0.28 0.68 0.04 0.00 -2.50 0.00 0.00 54.97 53.47 1c89 s GLU 96 Cb -0.00 -4.38 -0.00 0.00 0.00 0.00 0.00 34.13 29.74 1c89 s GLU 96 CO 0.12 -2.71 -0.12 0.08 0.02 0.00 0.00 175.26 172.65 1c89 s VAL 97 N 9.08 1.02 -0.06 3.70 1.01 -1.24 -4.92 120.40 129.00 1c89 s VAL 97 Ca 0.69 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1c89 s VAL 97 Cb -0.13 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1c89 s VAL 97 CO 0.22 0.30 -0.05 -0.94 0.00 0.00 0.00 175.10 174.62 1c89 s SER 98 N -0.05 4.78 0.68 3.32 1.04 -1.26 -2.81 113.70 119.40 1c89 s SER 98 Ca 0.00 0.00 -0.11 0.00 0.48 0.00 0.00 55.95 56.32 1c89 s SER 98 Cb -0.08 -1.22 0.00 0.00 0.10 0.00 0.00 66.02 64.82 1c89 s SER 98 CO 0.00 0.36 1.06 -2.16 0.98 0.00 0.00 173.24 173.48 1c89 s PRO 99 N -0.91 2.99 -0.56 4.02 0.04 -1.26 -5.06 135.00 134.26 1c89 s PRO 99 Ca 0.13 0.98 -0.28 0.00 0.04 0.00 0.00 61.00 61.87 1c89 s PRO 99 Cb -0.11 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1c89 s PRO 99 CO 0.02 -1.06 1.43 -1.59 0.04 0.00 0.00 177.00 175.85 1c89 s LYS 100 N -4.94 3.29 0.00 4.56 0.00 -1.12 -4.94 119.74 116.58 1c89 s LYS 100 Ca 0.59 0.48 0.00 0.00 0.00 0.00 0.00 55.97 57.03 1c89 s LYS 100 Cb -0.14 -4.13 0.00 0.00 0.00 0.00 0.00 37.83 33.56 1c89 s LYS 100 CO 0.53 -1.95 0.00 0.41 0.00 0.00 0.00 175.35 174.34 1c89 n GLY 101 N 5.27 -0.38 3.41 0.59 0.00 -1.26 -4.83 105.19 108.00 1c89 n GLY 101 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 3.76 0.68 -0.61 1.01 0.25 -4.56 121.20 121.73 1c89 s ILE 102 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 1c89 s ILE 102 Cb 0.00 -2.70 0.01 0.00 0.01 0.00 0.00 42.46 39.78 1c89 s ILE 102 CO 0.00 0.43 1.07 -2.16 0.00 0.00 0.00 174.94 174.28 1c89 s PRO 103 N 1.05 2.90 -0.16 2.79 0.04 -1.26 -0.62 135.00 139.74 1c89 s PRO 103 Ca 0.02 1.09 0.02 0.00 0.04 0.00 0.00 61.00 62.17 1c89 s PRO 103 Cb -0.14 -1.98 0.28 0.00 0.04 0.00 0.00 34.50 32.69 1c89 s PRO 103 CO 0.01 -1.14 1.28 0.45 0.04 0.00 0.00 177.00 177.64 1c89 n SER 104 N -2.87 3.20 -0.07 6.66 2.88 -1.26 -4.25 113.62 117.91 1c89 n SER 104 Ca 0.08 -2.57 -0.15 0.00 -1.33 0.00 0.00 58.87 54.90 1c89 n SER 104 Cb 0.53 -0.62 -0.05 0.00 -0.75 0.00 0.00 64.21 63.32 1c89 n SER 104 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1c89 h GLU 105 N 0.64 0.85 -0.00 -1.46 4.11 -1.96 -3.32 114.58 113.43 1c89 h GLU 105 Ca 0.20 -0.56 0.00 0.00 0.07 0.00 0.00 59.36 59.06 1c89 h GLU 105 Cb 1.60 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.92 1c89 h GLU 105 CO 0.38 1.19 -0.19 -0.85 0.07 0.00 0.00 179.01 179.62 1c89 n GLU 106 N -4.02 2.56 -0.33 1.06 0.28 -1.26 -4.61 120.64 114.32 1c89 n GLU 106 Ca -0.05 -0.45 0.19 0.00 -0.16 0.00 0.00 57.16 56.69 1c89 n GLU 106 Cb 0.64 -0.99 0.43 0.00 1.43 0.00 0.00 31.44 32.96 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 0.74 0.56 -0.98 3.84 6.09 -1.75 0.27 117.51 126.28 1c89 h ILE 107 Ca 0.00 -0.18 0.34 0.00 -1.37 0.00 0.00 64.86 63.65 1c89 h ILE 107 Cb 0.25 -0.00 -0.16 0.00 0.47 0.00 0.00 36.82 37.37 1c89 h ILE 107 CO 0.00 0.10 0.43 -1.28 -3.07 0.00 0.00 178.15 174.32 1c89 h SER 108 N 0.52 0.22 0.88 2.19 0.87 -1.82 1.92 113.55 118.33 1c89 h SER 108 Ca 0.61 0.23 -0.13 0.00 -1.23 0.00 0.00 61.79 61.27 1c89 h SER 108 Cb 1.30 0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.49 1c89 h SER 108 CO -0.37 -0.29 -1.20 0.11 -0.53 0.00 0.00 176.83 174.55 1c89 h LYS 109 N 0.14 0.00 -0.11 2.24 1.79 -1.31 -3.30 116.57 116.01 1c89 h LYS 109 Ca 0.73 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.20 1c89 h LYS 109 Cb 1.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.39 1c89 h LYS 109 CO -0.72 0.26 0.00 1.28 -1.08 0.00 0.00 179.45 179.19 1c89 n LEU 110 N -2.90 2.12 -4.77 2.94 4.77 0.27 -4.92 117.00 114.51 1c89 n LEU 110 Ca -0.06 -0.79 -0.41 0.00 -0.03 0.00 0.00 56.01 54.72 1c89 n LEU 110 Cb 0.77 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.79 1c89 n LEU 110 CO 0.42 0.39 1.12 -0.69 -1.33 0.00 0.00 177.39 177.30 1c89 s VAL 111 N -1.88 2.30 -0.04 4.08 1.01 0.58 -1.74 120.40 124.72 1c89 s VAL 111 Ca 0.34 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1c89 s VAL 111 Cb 0.20 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1c89 s VAL 111 CO 0.31 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1c89 n GLY 112 N 1.15 0.45 3.77 4.51 0.00 0.33 -4.93 105.19 110.49 1c89 n GLY 112 Ca 0.03 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.52 4.21 0.04 1.61 0.00 -0.71 -4.25 119.30 119.68 1c89 s MET 113 Ca 0.00 1.63 -0.30 0.00 0.00 0.00 0.00 55.69 57.02 1c89 s MET 113 Cb 0.00 -2.67 -0.04 0.00 0.00 0.00 0.00 34.83 32.12 1c89 s MET 113 CO 0.00 -0.13 0.99 -0.65 0.00 0.00 0.00 175.02 175.23 1c89 s GLN 114 N -2.28 4.59 0.34 3.16 -0.21 -1.26 -2.22 119.66 121.78 1c89 s GLN 114 Ca 0.56 1.45 -0.10 0.00 0.02 0.00 0.00 55.36 57.28 1c89 s GLN 114 Cb -0.26 -3.43 -0.07 0.00 1.00 0.00 0.00 33.01 30.26 1c89 s GLN 114 CO 0.32 0.02 0.69 0.54 -2.12 0.00 0.00 175.29 174.74 1c89 s VAL 115 N 0.71 4.83 -2.55 1.09 0.11 -1.25 -4.81 120.40 118.52 1c89 s VAL 115 Ca 0.51 0.56 0.23 0.00 -2.93 0.00 0.00 61.98 60.35 1c89 s VAL 115 Cb -0.22 -3.69 0.11 0.00 -1.53 0.00 0.00 36.38 31.04 1c89 s VAL 115 CO 0.29 -0.36 1.17 -3.20 -3.33 0.00 0.00 175.10 169.67 1c89 n ASN 116 N -0.90 2.57 -4.50 3.54 2.85 -1.26 -0.58 115.26 116.97 1c89 n ASN 116 Ca 0.02 -1.78 -0.26 0.00 -0.11 0.00 0.00 54.58 52.44 1c89 n ASN 116 Cb 0.54 0.20 -0.10 0.00 1.24 0.00 0.00 39.78 41.65 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1c89 s ARG 117 N -2.16 1.87 0.23 1.20 0.52 -1.26 -4.66 118.95 114.69 1c89 s ARG 117 Ca 0.24 -2.09 -0.15 0.00 -0.52 0.00 0.00 55.73 53.20 1c89 s ARG 117 Cb 0.19 -1.16 -0.08 0.00 0.52 0.00 0.00 34.95 34.42 1c89 s ARG 117 CO 0.40 -0.22 0.65 0.00 0.02 0.00 0.00 175.30 176.15 1c89 s ALA 118 N -3.04 3.46 0.01 2.13 0.00 -1.26 -3.90 121.76 119.16 1c89 s ALA 118 Ca 0.29 -0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.31 1c89 s ALA 118 Cb 0.07 -2.66 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 1c89 s ALA 118 CO 0.14 0.39 -0.23 0.08 0.00 0.00 0.00 175.76 176.15 1c89 s VAL 119 N -1.67 1.82 0.00 0.00 1.01 0.29 -4.90 120.40 116.96 1c89 s VAL 119 Ca 0.45 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1c89 s VAL 119 Cb -0.14 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1c89 s VAL 119 CO 0.20 0.39 0.00 -1.22 0.00 0.00 0.00 175.10 174.47 1c89 n TYR 120 N 2.18 -0.56 0.00 5.22 4.01 -1.26 -1.87 117.16 124.88 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 -4.42 7.72 7.99 -1.24 -3.78 117.00 123.27 1c89 n LEU 121 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 56.01 55.84 1c89 n LEU 121 Cb 0.00 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.16 1c89 n LEU 121 CO 0.00 -0.06 1.68 0.47 -1.51 0.00 0.00 177.39 177.97 1c89 n ASP 122 N 0.00 -0.86 -4.42 -1.43 9.92 0.45 -4.42 116.55 115.79 1c89 n ASP 122 Ca 0.00 -0.98 -0.30 0.00 -0.53 0.00 0.00 54.79 52.98 1c89 n ASP 122 Cb 0.00 -0.80 -0.13 0.00 -0.64 0.00 0.00 41.12 39.55 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1c89 s GLN 123 N 7.04 1.71 -0.09 -1.24 0.74 -0.25 -4.55 119.66 123.01 1c89 s GLN 123 Ca 0.98 -1.19 -0.30 0.00 0.05 0.00 0.00 55.36 54.90 1c89 s GLN 123 Cb -0.52 -2.03 -0.02 0.00 1.10 0.00 0.00 33.01 31.54 1c89 s GLN 123 CO 0.36 0.49 1.07 0.99 -0.55 0.00 0.00 175.29 177.64 1c89 s THR 124 N -1.01 4.62 -0.04 -0.34 2.01 -1.26 0.69 115.64 120.31 1c89 s THR 124 Ca 0.15 1.90 -0.29 0.00 0.31 0.00 0.00 61.69 63.76 1c89 s THR 124 Cb -0.10 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 1c89 s THR 124 CO 0.06 0.00 0.94 -0.22 -0.69 0.00 0.00 174.62 174.72 1c89 s LEU 125 N 2.07 4.33 0.22 4.42 2.96 0.55 -4.90 118.68 128.33 1c89 s LEU 125 Ca 0.51 1.54 0.11 0.00 -0.22 0.00 0.00 54.13 56.07 1c89 s LEU 125 Cb -0.20 -3.48 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 1c89 s LEU 125 CO 0.19 -0.29 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.69 1c89 s MET 126 N 1.25 1.52 0.38 1.98 -1.94 -1.26 0.84 119.30 122.07 1c89 s MET 126 Ca 0.48 -1.61 0.20 0.00 -1.71 0.00 0.00 55.69 53.06 1c89 s MET 126 Cb -0.20 -1.65 0.64 0.00 2.01 0.00 0.00 34.83 35.63 1c89 s MET 126 CO 0.24 0.33 1.71 -1.00 -0.01 0.00 0.00 175.02 176.28 1c89 h PRO 127 N 2.78 0.00 -0.00 2.03 0.13 -1.95 -2.81 132.00 132.18 1c89 h PRO 127 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1c89 h PRO 127 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1c89 h PRO 127 CO 0.55 0.33 -0.03 -3.47 -0.23 0.00 0.00 178.00 175.14 1c89 n ASP 128 N -3.40 0.04 0.02 1.44 2.03 -1.26 -3.45 116.55 111.98 1c89 n ASP 128 Ca 0.00 0.30 -0.14 0.00 0.52 0.00 0.00 54.79 55.48 1c89 n ASP 128 Cb 0.52 -0.40 -0.14 0.00 -0.72 0.00 0.00 41.12 40.39 1c89 n ASP 128 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 1c89 h MET 129 N 0.02 0.13 -7.28 -0.67 4.05 -1.91 -3.47 114.93 105.79 1c89 h MET 129 Ca 0.00 -0.22 -0.46 0.00 -0.28 0.00 0.00 59.70 58.73 1c89 h MET 129 Cb 0.45 0.08 0.10 0.00 -0.80 0.00 0.00 31.60 31.44 1c89 h MET 129 CO 0.00 0.87 0.18 0.08 0.23 0.00 0.00 176.91 178.28 1c89 s VAL 130 N -2.61 2.10 0.00 -5.77 1.01 -1.22 -4.53 120.40 109.38 1c89 s VAL 130 Ca -0.09 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1c89 s VAL 130 Cb 0.07 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1c89 s VAL 130 CO 0.82 0.00 0.00 2.29 0.00 0.00 0.00 175.10 178.21 1c89 n LYS 131 N -3.06 3.31 -2.06 2.72 2.85 -1.26 -4.78 118.16 115.89 1c89 n LYS 131 Ca 0.15 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 57.01 1c89 n LYS 131 Cb 0.60 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.98 1c89 n LYS 131 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1c89 n ASN 132 N 0.00 7.90 -4.70 -5.58 4.13 -1.26 -4.93 115.26 110.82 1c89 n ASN 132 Ca 0.00 -3.18 -0.43 0.00 1.68 0.00 0.00 54.58 52.64 1c89 n ASN 132 Cb 0.00 -1.35 -0.03 0.00 -1.54 0.00 0.00 39.78 36.86 1c89 n ASN 132 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1c89 n TYR 133 N 1.66 2.62 0.00 3.10 4.11 -1.26 -5.26 117.16 122.12 1c89 n TYR 133 Ca 0.60 0.04 0.00 0.00 -0.00 0.00 0.00 57.90 58.54 1c89 n TYR 133 Cb 0.25 -2.66 0.00 0.00 -0.00 0.00 0.00 39.34 36.93 1c89 n TYR 133 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01