#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c89 s LYS 2 N 0.00 1.38 0.37 1.20 1.02 -1.26 -5.01 119.74 117.44 1c89 s LYS 2 Ca 0.00 -0.94 -0.27 0.00 0.02 0.00 0.00 55.97 54.78 1c89 s LYS 2 Cb 0.00 -2.20 -0.09 0.00 -0.52 0.00 0.00 37.83 35.02 1c89 s LYS 2 CO 0.00 -1.72 1.22 0.00 -0.92 0.00 0.00 175.35 173.92 1c89 s ALA 3 N -3.35 3.27 0.42 5.17 0.00 -1.26 -4.64 121.76 121.37 1c89 s ALA 3 Ca 0.69 1.07 0.08 0.00 0.00 0.00 0.00 51.96 53.79 1c89 s ALA 3 Cb -0.05 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1c89 s ALA 3 CO 0.47 -0.57 0.39 0.45 0.00 0.00 0.00 175.76 176.50 1c89 s SER 4 N -0.89 5.10 -0.83 0.00 0.15 0.93 -3.76 113.70 114.40 1c89 s SER 4 Ca 0.54 -0.72 -0.23 0.00 0.70 0.00 0.00 55.95 56.24 1c89 s SER 4 Cb -0.34 -0.57 0.07 0.00 -1.71 0.00 0.00 66.02 63.46 1c89 s SER 4 CO 0.44 -0.66 1.20 -0.69 1.20 0.00 0.00 173.24 174.72 1c89 s VAL 5 N -2.46 4.16 -0.18 4.45 1.01 -0.70 -2.16 120.40 124.51 1c89 s VAL 5 Ca 0.49 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 1c89 s VAL 5 Cb -0.04 -4.86 -0.01 0.00 0.00 0.00 0.00 36.38 31.47 1c89 s VAL 5 CO 0.28 -1.69 -0.07 -0.69 0.00 0.00 0.00 175.10 172.93 1c89 s VAL 6 N 4.42 3.33 0.21 2.92 1.01 0.90 -1.22 120.40 131.98 1c89 s VAL 6 Ca 0.34 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 1c89 s VAL 6 Cb -0.08 -2.47 -0.10 0.00 0.00 0.00 0.00 36.38 33.73 1c89 s VAL 6 CO 0.02 0.47 1.44 0.00 0.00 0.00 0.00 175.10 177.03 1c89 s ALA 7 N 0.97 3.64 -0.06 5.51 0.00 -0.74 -1.15 121.76 129.92 1c89 s ALA 7 Ca -0.01 1.27 -0.17 0.00 0.00 0.00 0.00 51.96 53.05 1c89 s ALA 7 Cb -0.15 -3.55 -0.30 0.00 0.00 0.00 0.00 23.12 19.12 1c89 s ALA 7 CO 0.00 -0.70 0.73 -0.97 0.00 0.00 0.00 175.76 174.82 1c89 h ASN 8 N 5.67 0.49 -2.24 0.00 -0.00 -1.85 0.74 115.58 118.39 1c89 h ASN 8 Ca -0.45 -0.90 -0.46 0.00 -0.00 0.00 0.00 56.30 54.49 1c89 h ASN 8 Cb 1.21 -0.16 0.08 0.00 -0.00 0.00 0.00 38.32 39.45 1c89 h ASN 8 CO 0.81 1.57 0.09 0.00 -0.00 0.00 0.00 177.43 179.90 1c89 s GLN 9 N -2.49 1.83 -0.34 6.67 -2.07 -1.26 -2.92 119.66 119.08 1c89 s GLN 9 Ca -0.16 -1.04 -0.22 0.00 -1.82 0.00 0.00 55.36 52.12 1c89 s GLN 9 Cb 0.03 -2.35 0.00 0.00 -1.09 0.00 0.00 33.01 29.60 1c89 s GLN 9 CO 0.82 -1.33 0.71 -1.17 -1.32 0.00 0.00 175.29 173.01 1c89 s LEU 10 N -5.08 4.16 -0.11 2.60 0.20 -1.26 -4.19 118.68 114.99 1c89 s LEU 10 Ca 0.65 0.36 -0.13 0.00 0.69 0.00 0.00 54.13 55.69 1c89 s LEU 10 Cb -0.06 -2.93 -0.05 0.00 -0.43 0.00 0.00 46.19 42.72 1c89 s LEU 10 CO 0.43 -0.63 0.31 -0.63 -0.29 0.00 0.00 176.35 175.55 1c89 s ILE 11 N 2.87 5.26 0.00 6.68 -1.09 0.19 -4.95 121.20 130.16 1c89 s ILE 11 Ca 0.28 0.59 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 1c89 s ILE 11 Cb -0.14 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 1c89 s ILE 11 CO 0.15 0.47 0.00 -0.81 -1.23 0.00 0.00 174.94 173.51 1c89 n PRO 12 N 2.90 0.74 -2.74 2.79 -0.04 -1.26 0.71 135.00 138.10 1c89 n PRO 12 Ca -0.13 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.10 1c89 n PRO 12 Cb 0.52 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.01 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 -0.19 3.46 -1.10 0.52 1.09 -1.26 -4.24 121.20 119.47 1c89 s ILE 13 Ca 0.00 -0.45 -0.24 0.00 -1.10 0.00 0.00 60.65 58.86 1c89 s ILE 13 Cb 0.00 -3.31 0.02 0.00 -1.06 0.00 0.00 42.46 38.12 1c89 s ILE 13 CO 0.00 -0.24 0.69 0.59 -0.10 0.00 0.00 174.94 175.88 1c89 n ASN 14 N -2.29 -4.65 -3.68 3.58 3.02 -0.09 -4.84 115.26 106.32 1c89 n ASN 14 Ca 0.04 -1.14 -0.20 0.00 -0.03 0.00 0.00 54.58 53.25 1c89 n ASN 14 Cb 0.58 -2.11 -0.18 0.00 -0.61 0.00 0.00 39.78 37.46 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 -3.38 -0.07 -0.78 3.41 2.01 -1.26 -4.85 115.64 110.72 1c89 s THR 15 Ca 0.37 0.40 -0.25 0.00 0.31 0.00 0.00 61.69 62.52 1c89 s THR 15 Cb -0.19 -0.18 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 1c89 s THR 15 CO 0.93 0.19 1.77 0.00 -0.69 0.00 0.00 174.62 176.81 1c89 s ALA 16 N 2.13 2.13 0.54 7.40 0.00 -1.25 -3.72 121.76 129.00 1c89 s ALA 16 Ca 0.05 -1.24 -0.18 0.00 0.00 0.00 0.00 51.96 50.59 1c89 s ALA 16 Cb -0.12 -4.41 -0.14 0.00 0.00 0.00 0.00 23.12 18.45 1c89 s ALA 16 CO -0.03 -4.11 -0.06 1.28 0.00 0.00 0.00 175.76 172.84 1c89 n LEU 17 N 12.28 -3.11 -4.76 0.00 4.77 -1.09 -4.09 117.00 120.99 1c89 n LEU 17 Ca 0.26 0.64 -0.33 0.00 -0.03 0.00 0.00 56.01 56.55 1c89 n LEU 17 Cb 0.50 -0.90 -0.07 0.00 -2.33 0.00 0.00 43.42 40.62 1c89 n LEU 17 CO 0.67 -4.59 -0.25 0.42 -1.33 0.00 0.00 177.39 172.30 1c89 s THR 18 N -1.96 1.08 0.18 -5.08 -4.23 -1.26 0.25 115.64 104.62 1c89 s THR 18 Ca 0.58 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.98 1c89 s THR 18 Cb -0.47 -2.11 0.08 0.00 1.34 0.00 0.00 72.50 71.34 1c89 s THR 18 CO 0.65 0.00 1.69 -0.07 -0.54 0.00 0.00 174.62 176.36 1c89 h LEU 19 N 1.34 0.92 -0.77 4.79 3.38 -1.94 -2.33 115.31 120.69 1c89 h LEU 19 Ca -0.44 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.26 1c89 h LEU 19 Cb 1.32 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1c89 h LEU 19 CO 0.73 0.90 0.30 0.40 0.09 0.00 0.00 178.44 180.86 1c89 h ILE 20 N 0.89 1.26 -0.03 1.22 5.03 -2.02 -1.67 117.51 122.19 1c89 h ILE 20 Ca 0.19 -0.83 0.00 0.00 -0.12 0.00 0.00 64.86 64.11 1c89 h ILE 20 Cb 0.33 0.35 0.00 0.00 -3.03 0.00 0.00 36.82 34.47 1c89 h ILE 20 CO -0.00 0.34 0.00 0.23 -0.68 0.00 0.00 178.15 178.03 1c89 n MET 21 N -4.29 1.11 -3.91 2.37 2.81 -1.10 -4.66 117.12 109.44 1c89 n MET 21 Ca 0.07 -0.16 -0.35 0.00 -1.81 0.00 0.00 57.70 55.45 1c89 n MET 21 Cb 0.19 -1.26 -0.14 0.00 -0.71 0.00 0.00 33.22 31.30 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 -1.96 2.72 -0.12 0.03 0.00 -0.63 -3.27 119.30 116.07 1c89 s MET 22 Ca 0.24 -1.07 -0.01 0.00 0.00 0.00 0.00 55.69 54.86 1c89 s MET 22 Cb 0.12 -3.11 -0.02 0.00 0.00 0.00 0.00 34.83 31.81 1c89 s MET 22 CO 0.19 -0.49 -0.08 0.15 0.00 0.00 0.00 175.02 174.79 1c89 s LYS 23 N 1.32 3.24 -1.20 4.11 -0.14 -0.30 -4.91 119.74 121.87 1c89 s LYS 23 Ca -0.02 -0.58 -0.09 0.00 -1.36 0.00 0.00 55.97 53.92 1c89 s LYS 23 Cb -0.18 -2.71 0.22 0.00 -1.68 0.00 0.00 37.83 33.48 1c89 s LYS 23 CO -0.02 0.39 1.60 0.00 -0.76 0.00 0.00 175.35 176.56 1c89 n ALA 24 N 3.05 4.89 -2.84 5.17 0.00 -1.26 -0.07 120.51 129.45 1c89 n ALA 24 Ca -0.18 -4.47 -0.31 0.00 0.00 0.00 0.00 53.44 48.49 1c89 n ALA 24 Cb 0.53 -2.78 -0.05 0.00 0.00 0.00 0.00 19.45 17.15 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 -0.38 3.14 -0.70 0.00 2.12 -0.92 -4.56 118.70 117.40 1c89 s GLU 25 Ca 0.37 -0.57 -0.23 0.00 0.36 0.00 0.00 54.97 54.90 1c89 s GLU 25 Cb 0.04 -2.87 0.07 0.00 0.26 0.00 0.00 34.13 31.63 1c89 s GLU 25 CO 0.02 0.59 1.02 0.08 -0.54 0.00 0.00 175.26 176.43 1c89 s VAL 26 N -1.44 4.29 0.13 3.70 1.01 -1.26 -0.05 120.40 126.78 1c89 s VAL 26 Ca 0.32 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1c89 s VAL 26 Cb -0.13 -4.73 -0.04 0.00 0.00 0.00 0.00 36.38 31.48 1c89 s VAL 26 CO 0.24 -1.52 -0.04 0.68 0.00 0.00 0.00 175.10 174.47 1c89 s VAL 27 N 4.12 0.66 0.12 2.92 -7.23 -1.26 -4.95 120.40 114.78 1c89 s VAL 27 Ca 0.25 -1.95 0.05 0.00 -1.81 0.00 0.00 61.98 58.52 1c89 s VAL 27 Cb -0.14 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 1c89 s VAL 27 CO 0.08 -0.72 0.06 0.42 -0.31 0.00 0.00 175.10 174.63 1c89 s THR 28 N -3.65 4.24 0.53 5.32 -4.23 -1.26 -3.52 115.64 113.06 1c89 s THR 28 Ca 0.17 -1.02 -0.18 0.00 -1.18 0.00 0.00 61.69 59.47 1c89 s THR 28 Cb 0.06 -3.08 -0.07 0.00 1.34 0.00 0.00 72.50 70.74 1c89 s THR 28 CO -0.01 0.02 1.03 -2.16 -0.54 0.00 0.00 174.62 172.95 1c89 s PRO 29 N -2.65 3.69 -1.16 3.99 0.04 -1.26 -5.01 135.00 132.64 1c89 s PRO 29 Ca 0.28 1.20 -0.24 0.00 0.04 0.00 0.00 61.00 62.28 1c89 s PRO 29 Cb -0.11 -2.09 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 1c89 s PRO 29 CO 0.21 -0.50 1.98 0.00 0.04 0.00 0.00 177.00 178.72 1c89 s MET 30 N -3.71 2.21 0.00 4.56 0.23 -1.23 -4.89 119.30 116.46 1c89 s MET 30 Ca 0.64 -0.98 0.00 0.00 -1.03 0.00 0.00 55.69 54.31 1c89 s MET 30 Cb -0.14 -5.18 0.00 0.00 -1.53 0.00 0.00 34.83 27.98 1c89 s MET 30 CO 0.28 -4.30 0.00 0.41 -2.03 0.00 0.00 175.02 169.38 1c89 n GLY 31 N 5.91 -2.67 3.70 3.16 0.00 -1.26 -4.80 105.19 109.23 1c89 n GLY 31 Ca 0.44 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 4.52 1.17 -0.61 1.01 -1.03 -4.95 121.20 121.30 1c89 s ILE 32 Ca 0.00 1.81 -0.19 0.00 0.00 0.00 0.00 60.65 62.27 1c89 s ILE 32 Cb 0.00 -4.16 0.28 0.00 0.01 0.00 0.00 42.46 38.59 1c89 s ILE 32 CO 0.00 0.08 1.17 -2.16 0.00 0.00 0.00 174.94 174.03 1c89 s PRO 33 N 1.47 -0.97 -0.01 2.79 0.04 -1.26 -1.72 135.00 135.34 1c89 s PRO 33 Ca 0.54 -0.22 0.04 0.00 0.04 0.00 0.00 61.00 61.39 1c89 s PRO 33 Cb -0.23 -1.64 0.12 0.00 0.04 0.00 0.00 34.50 32.79 1c89 s PRO 33 CO 0.25 -3.52 0.99 0.00 0.04 0.00 0.00 177.00 174.77 1c89 n ALA 34 N -4.59 2.55 -0.18 8.56 0.00 -1.25 -3.95 120.51 121.65 1c89 n ALA 34 Ca 0.15 -0.25 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1c89 n ALA 34 Cb 0.60 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 19.06 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 0.73 0.99 -0.91 0.00 4.57 -1.92 -2.69 114.58 115.35 1c89 h GLU 35 Ca 0.00 -0.35 -0.27 0.00 -1.18 0.00 0.00 59.36 57.56 1c89 h GLU 35 Cb 0.33 -0.07 -0.16 0.00 -0.16 0.00 0.00 28.75 28.69 1c89 h GLU 35 CO 0.02 1.03 0.34 0.39 -1.18 0.00 0.00 179.01 179.62 1c89 n GLU 36 N -4.20 2.50 -0.19 1.92 1.02 -1.25 -4.60 120.64 115.84 1c89 n GLU 36 Ca 0.01 -2.25 -0.05 0.00 -0.02 0.00 0.00 57.16 54.85 1c89 n GLU 36 Cb 0.38 -1.93 0.01 0.00 -0.02 0.00 0.00 31.44 29.88 1c89 n GLU 36 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1c89 h ILE 37 N 1.39 0.20 0.00 -3.67 1.08 -1.72 1.04 117.51 115.83 1c89 h ILE 37 Ca 0.33 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.80 1c89 h ILE 37 Cb 2.15 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 36.10 1c89 h ILE 37 CO 0.68 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.33 1c89 n PRO 38 N -5.43 0.16 -0.11 2.37 -0.04 -1.26 -1.23 135.00 129.46 1c89 n PRO 38 Ca 0.04 0.18 -0.22 0.00 -0.04 0.00 0.00 63.50 63.45 1c89 n PRO 38 Cb 0.35 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.33 1.56 0.24 3.54 4.13 0.29 -4.52 115.26 119.16 1c89 n ASN 39 Ca 0.06 0.27 0.13 0.00 1.68 0.00 0.00 54.58 56.72 1c89 n ASN 39 Cb 0.12 -0.64 0.49 0.00 -1.54 0.00 0.00 39.78 38.21 1c89 n ASN 39 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1c89 h LEU 40 N -0.78 0.00-10.18 3.41 -0.00 0.46 -3.44 115.31 104.77 1c89 h LEU 40 Ca -0.51 0.00 -0.54 0.00 -0.00 0.00 0.00 57.88 56.83 1c89 h LEU 40 Cb 1.43 0.00 0.16 0.00 -0.00 0.00 0.00 40.66 42.26 1c89 h LEU 40 CO -0.31 0.11 0.38 -0.69 -0.00 0.00 0.00 178.44 177.93 1c89 s VAL 41 N -3.56 2.21 -0.20 1.22 1.01 -0.37 -2.29 120.40 118.43 1c89 s VAL 41 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1c89 s VAL 41 Cb 0.09 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1c89 s VAL 41 CO 0.61 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1c89 n GLY 42 N 0.44 0.18 3.75 4.51 0.00 0.70 -4.80 105.19 109.97 1c89 n GLY 42 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.96 4.57 0.22 1.61 1.00 -0.97 -4.10 119.30 119.67 1c89 s MET 43 Ca 0.00 1.19 -0.27 0.00 0.00 0.00 0.00 55.69 56.61 1c89 s MET 43 Cb 0.00 -3.33 -0.09 0.00 0.00 0.00 0.00 34.83 31.41 1c89 s MET 43 CO 0.00 0.36 0.86 -0.65 0.00 0.00 0.00 175.02 175.59 1c89 s GLN 44 N -0.40 4.66 0.32 2.03 -0.21 -1.24 -2.67 119.66 122.16 1c89 s GLN 44 Ca 0.40 1.29 0.02 0.00 0.02 0.00 0.00 55.36 57.08 1c89 s GLN 44 Cb -0.22 -3.18 -0.03 0.00 1.00 0.00 0.00 33.01 30.58 1c89 s GLN 44 CO 0.26 0.50 0.50 0.14 -2.12 0.00 0.00 175.29 174.57 1c89 s VAL 45 N -1.24 4.94 -2.22 1.09 -7.23 -1.25 -4.72 120.40 109.76 1c89 s VAL 45 Ca 0.40 -0.67 0.22 0.00 -1.81 0.00 0.00 61.98 60.11 1c89 s VAL 45 Cb -0.23 -3.78 0.05 0.00 0.56 0.00 0.00 36.38 32.98 1c89 s VAL 45 CO 0.28 -0.43 1.10 0.59 -0.31 0.00 0.00 175.10 176.33 1c89 n ASN 46 N -1.69 2.26 -4.04 4.85 4.13 -1.22 -0.91 115.26 118.65 1c89 n ASN 46 Ca -0.05 -1.63 -0.17 0.00 1.68 0.00 0.00 54.58 54.40 1c89 n ASN 46 Cb 0.57 0.32 -0.09 0.00 -1.54 0.00 0.00 39.78 39.04 1c89 n ASN 46 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1c89 s ARG 47 N -2.21 1.52 0.29 3.52 0.52 -1.26 -4.89 118.95 116.44 1c89 s ARG 47 Ca 0.20 -1.85 -0.29 0.00 -0.52 0.00 0.00 55.73 53.27 1c89 s ARG 47 Cb 0.18 -0.05 -0.10 0.00 0.52 0.00 0.00 34.95 35.50 1c89 s ARG 47 CO 0.46 -0.43 1.11 0.00 0.02 0.00 0.00 175.30 176.46 1c89 s ALA 48 N -3.70 3.38 -0.25 2.13 0.00 -1.26 -4.21 121.76 117.86 1c89 s ALA 48 Ca 0.37 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 1c89 s ALA 48 Cb 0.06 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.88 1c89 s ALA 48 CO 0.17 -0.20 -0.08 0.08 0.00 0.00 0.00 175.76 175.73 1c89 s VAL 49 N -1.20 2.69 0.24 0.00 1.01 0.22 -5.01 120.40 118.35 1c89 s VAL 49 Ca 0.46 -1.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 1c89 s VAL 49 Cb -0.32 -2.40 0.06 0.00 0.00 0.00 0.00 36.38 33.72 1c89 s VAL 49 CO 0.41 0.16 0.23 -0.81 0.00 0.00 0.00 175.10 175.09 1c89 n PRO 50 N 4.62 -1.19 -2.71 2.72 -0.04 -1.26 0.54 135.00 137.69 1c89 n PRO 50 Ca -0.16 -0.36 -0.34 0.00 -0.04 0.00 0.00 63.50 62.59 1c89 n PRO 50 Cb 0.46 -0.32 -0.06 0.00 -0.04 0.00 0.00 33.50 33.55 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 4.02 -1.47 1.53 1.02 -1.26 -3.54 118.68 118.98 1c89 s LEU 51 Ca 0.14 1.82 -0.07 0.00 0.02 0.00 0.00 54.13 56.04 1c89 s LEU 51 Cb -0.01 -4.39 0.03 0.00 0.02 0.00 0.00 46.19 41.83 1c89 s LEU 51 CO 0.11 -0.42 0.77 0.61 0.02 0.00 0.00 176.35 177.44 1c89 n GLY 52 N -0.19 -0.52 3.55 -3.19 0.00 0.25 -4.91 105.19 100.18 1c89 n GLY 52 Ca 0.06 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1c89 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c89 s THR 53 N -3.19 4.50 0.92 2.61 2.01 -0.92 -4.73 115.64 116.84 1c89 s THR 53 Ca 0.43 0.52 -0.10 0.00 0.31 0.00 0.00 61.69 62.85 1c89 s THR 53 Cb -0.20 -4.43 0.15 0.00 0.01 0.00 0.00 72.50 68.03 1c89 s THR 53 CO 0.53 -0.88 1.15 0.28 -0.69 0.00 0.00 174.62 175.01 1c89 s THR 54 N 3.68 2.01 -0.70 -0.82 -1.32 -1.26 -1.78 115.64 115.45 1c89 s THR 54 Ca 0.33 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.55 1c89 s THR 54 Cb -0.11 -2.01 -0.01 0.00 -1.51 0.00 0.00 72.50 68.86 1c89 s THR 54 CO 0.23 -0.00 1.73 -0.22 -2.21 0.00 0.00 174.62 174.15 1c89 s LEU 55 N -6.64 3.25 -0.10 9.08 1.98 -0.35 -4.84 118.68 121.06 1c89 s LEU 55 Ca 0.67 -0.05 -0.08 0.00 -2.89 0.00 0.00 54.13 51.78 1c89 s LEU 55 Cb -0.23 -2.54 -0.04 0.00 0.66 0.00 0.00 46.19 44.04 1c89 s LEU 55 CO 0.58 -2.28 0.18 -0.04 -1.89 0.00 0.00 176.35 172.90 1c89 s MET 56 N 6.68 3.50 0.19 1.98 -1.94 -1.26 -2.47 119.30 125.98 1c89 s MET 56 Ca 0.60 -0.07 0.01 0.00 -1.71 0.00 0.00 55.69 54.52 1c89 s MET 56 Cb -0.10 -3.19 0.11 0.00 2.01 0.00 0.00 34.83 33.66 1c89 s MET 56 CO 0.15 0.76 1.46 -1.00 -0.01 0.00 0.00 175.02 176.39 1c89 h PRO 57 N 4.88 0.30 0.00 2.03 0.13 -1.93 -2.70 132.00 134.70 1c89 h PRO 57 Ca -0.54 -0.25 -0.04 0.00 -0.87 0.00 0.00 66.00 64.30 1c89 h PRO 57 Cb 1.23 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1c89 h PRO 57 CO 0.59 0.90 -0.17 -0.44 -0.23 0.00 0.00 178.00 178.65 1c89 h ASP 58 N 0.20 0.00 0.07 1.44 3.32 -1.95 -2.07 116.42 117.44 1c89 h ASP 58 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1c89 h ASP 58 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1c89 h ASP 58 CO 0.12 0.17 -0.48 0.23 -1.72 0.00 0.00 179.24 177.56 1c89 n MET 59 N -3.86 0.92 -4.95 3.56 2.81 -1.17 -4.86 117.12 109.58 1c89 n MET 59 Ca -0.02 -0.71 -0.32 0.00 -1.81 0.00 0.00 57.70 54.84 1c89 n MET 59 Cb 0.27 -1.49 -0.17 0.00 -0.71 0.00 0.00 33.22 31.12 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 -2.57 2.03 0.00 2.03 1.01 -0.78 -3.40 120.40 118.72 1c89 s VAL 60 Ca 0.18 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1c89 s VAL 60 Cb 0.18 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1c89 s VAL 60 CO 0.60 0.55 0.00 0.29 0.00 0.00 0.00 175.10 176.54 1c89 n LYS 61 N 3.79 1.89 -2.19 2.72 4.76 -1.26 -4.59 118.16 123.28 1c89 n LYS 61 Ca -0.20 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 54.93 1c89 n LYS 61 Cb 0.52 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.67 1c89 n LYS 61 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1c89 s ASN 62 N -2.05 5.47 0.00 4.39 0.01 -1.25 -4.88 114.94 116.62 1c89 s ASN 62 Ca 0.00 -1.63 0.00 0.00 -0.71 0.00 0.00 52.86 50.52 1c89 s ASN 62 Cb 0.00 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.08 1c89 s ASN 62 CO 0.00 -2.58 0.00 0.00 -1.51 0.00 0.00 177.10 173.01 1c89 n TYR 63 N 12.89 0.00 -2.16 2.20 0.18 -1.26 -4.86 117.16 124.15 1c89 n TYR 63 Ca 0.44 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.22 1c89 n TYR 63 Cb 0.47 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.43 1c89 n TYR 63 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1c89 n GLU 64 N 0.00 2.88 -1.67 -3.48 -0.58 -1.26 -5.00 120.64 111.52 1c89 n GLU 64 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 1c89 n GLU 64 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1c89 n ASP 65 N 0.00 8.06 -0.03 1.62 9.92 -1.26 -4.53 116.55 130.32 1c89 n ASP 65 Ca 0.00 -2.92 0.14 0.00 -0.53 0.00 0.00 54.79 51.48 1c89 n ASP 65 Cb 0.00 -1.42 0.65 0.00 -0.64 0.00 0.00 41.12 39.71 1c89 n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c89 n GLY 66 N 2.33 -1.24 0.00 0.44 0.00 -1.26 -4.83 105.19 100.64 1c89 n GLY 66 Ca 0.66 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1c89 n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1c89 n THR 67 N -1.26 0.00 0.00 2.61 -1.04 -1.26 -5.11 114.28 108.22 1c89 n THR 67 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1c89 n THR 67 Cb 0.28 -1.94 0.00 0.00 -1.82 0.00 0.00 70.33 66.85 1c89 n THR 67 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1c89 n THR 68 N -0.12 0.00 -1.81 12.58 5.66 -1.26 -5.05 114.28 124.28 1c89 n THR 68 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 1c89 n THR 68 Cb 0.00 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 68.83 1c89 n THR 68 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1c89 s SER 69 N -0.53 4.85 0.00 1.09 0.15 -1.26 -4.94 113.70 113.07 1c89 s SER 69 Ca 0.00 2.39 0.00 0.00 0.70 0.00 0.00 55.95 59.04 1c89 s SER 69 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1c89 s SER 69 CO 0.00 -1.82 0.00 -0.81 1.20 0.00 0.00 173.24 171.81 1c89 n PRO 70 N -1.98 0.00 0.00 5.44 -0.04 -1.26 -4.77 135.00 132.39 1c89 n PRO 70 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1c89 n PRO 70 Cb 0.50 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 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 2.03 0.98 1.84 0.55 0.00 -1.26 -3.67 105.19 105.66 1c89 n GLY 71 Ca 0.00 0.53 -0.15 0.00 0.00 0.00 0.00 46.02 46.40 1c89 n GLY 71 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1c89 n LEU 72 N 0.00 6.31 -4.77 0.99 -0.00 -1.26 -4.95 117.00 113.32 1c89 n LEU 72 Ca 0.00 -3.18 -0.33 0.00 -0.00 0.00 0.00 56.01 52.49 1c89 n LEU 72 Cb 0.00 -1.06 0.04 0.00 -0.00 0.00 0.00 43.42 42.40 1c89 n LEU 72 CO 0.00 1.19 0.75 -1.59 -0.00 0.00 0.00 177.39 177.74 1c89 s LYS 73 N -1.60 2.92 0.13 1.47 0.00 -1.24 -4.68 119.74 116.74 1c89 s LYS 73 Ca 0.27 1.42 0.06 0.00 0.00 0.00 0.00 55.97 57.72 1c89 s LYS 73 Cb 0.21 -1.96 -0.04 0.00 0.00 0.00 0.00 37.83 36.04 1c89 s LYS 73 CO -0.00 -1.16 -0.13 -1.12 0.00 0.00 0.00 175.35 172.93 1c89 s SER 74 N -2.46 1.95 -0.05 0.03 0.01 -0.35 -4.28 113.70 108.56 1c89 s SER 74 Ca 0.68 -0.87 -0.30 0.00 1.31 0.00 0.00 55.95 56.77 1c89 s SER 74 Cb -0.21 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 1c89 s SER 74 CO 0.39 -0.20 1.33 -0.69 0.41 0.00 0.00 173.24 174.48 1c89 s VAL 75 N -2.48 3.97 -0.06 3.43 1.01 -0.97 -1.30 120.40 124.00 1c89 s VAL 75 Ca 0.11 1.30 0.06 0.00 0.00 0.00 0.00 61.98 63.45 1c89 s VAL 75 Cb -0.03 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1c89 s VAL 75 CO 0.03 -0.03 -0.24 -0.69 0.00 0.00 0.00 175.10 174.17 1c89 s VAL 76 N 2.60 2.14 -1.00 2.92 1.01 0.15 -1.73 120.40 126.49 1c89 s VAL 76 Ca 0.60 -1.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.31 1c89 s VAL 76 Cb -0.28 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1c89 s VAL 76 CO 0.23 0.57 1.85 0.00 0.00 0.00 0.00 175.10 177.75 1c89 s ALA 77 N -0.20 1.96 0.45 5.51 0.00 0.12 -0.54 121.76 129.06 1c89 s ALA 77 Ca -0.02 -1.85 0.14 0.00 0.00 0.00 0.00 51.96 50.22 1c89 s ALA 77 Cb -0.13 -4.58 1.06 0.00 0.00 0.00 0.00 23.12 19.46 1c89 s ALA 77 CO 0.03 -4.61 2.03 -0.97 0.00 0.00 0.00 175.76 172.24 1c89 h ASN 78 N 10.50 0.30 -5.02 0.00 -1.24 -1.79 -0.87 115.58 117.45 1c89 h ASN 78 Ca 0.16 0.00 -0.40 0.00 0.71 0.00 0.00 56.30 56.77 1c89 h ASN 78 Cb 0.98 -0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.93 1c89 h ASN 78 CO 1.26 0.20 -0.20 0.00 -1.29 0.00 0.00 177.43 177.40 1c89 n GLN 79 N -4.47 0.96 -3.49 6.67 6.02 -1.26 -3.35 117.38 118.46 1c89 n GLN 79 Ca 0.06 -2.35 -0.37 0.00 -0.01 0.00 0.00 57.00 54.33 1c89 n GLN 79 Cb 0.27 0.29 -0.06 0.00 1.02 0.00 0.00 30.24 31.76 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 4.33 -0.19 1.08 0.20 -1.26 -3.98 118.68 118.85 1c89 s LEU 80 Ca 0.19 0.72 0.01 0.00 0.69 0.00 0.00 54.13 55.74 1c89 s LEU 80 Cb -0.02 -2.50 0.03 0.00 -0.43 0.00 0.00 46.19 43.27 1c89 s LEU 80 CO 0.12 0.16 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.54 1c89 s ILE 81 N -0.03 2.01 0.56 6.68 1.01 -0.79 -4.97 121.20 125.67 1c89 s ILE 81 Ca 0.21 -1.04 -0.17 0.00 0.00 0.00 0.00 60.65 59.65 1c89 s ILE 81 Cb -0.15 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 1c89 s ILE 81 CO 0.08 0.41 1.06 -2.16 0.00 0.00 0.00 174.94 174.33 1c89 s PRO 82 N 1.28 3.42 0.25 2.79 0.04 -1.26 0.09 135.00 141.61 1c89 s PRO 82 Ca 0.02 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.24 1c89 s PRO 82 Cb -0.14 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 1c89 s PRO 82 CO -0.11 -0.73 0.01 -0.89 0.04 0.00 0.00 177.00 175.31 1c89 n ILE 83 N -1.70 0.24 -3.26 0.56 2.08 -1.25 -3.42 119.36 112.61 1c89 n ILE 83 Ca 0.09 -0.29 -0.11 0.00 0.56 0.00 0.00 62.75 63.01 1c89 n ILE 83 Cb 0.53 0.00 0.01 0.00 -0.75 0.00 0.00 39.64 39.43 1c89 n ILE 83 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1c89 n ASN 84 N 1.37 -6.33 -3.49 4.38 4.05 0.03 -4.93 115.26 110.34 1c89 n ASN 84 Ca 0.06 0.28 -0.21 0.00 0.45 0.00 0.00 54.58 55.16 1c89 n ASN 84 Cb 0.24 -1.76 -0.13 0.00 1.23 0.00 0.00 39.78 39.37 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1c89 s THR 85 N -1.17 -0.27 -0.83 -0.44 2.01 -1.22 -4.81 115.64 108.91 1c89 s THR 85 Ca 0.11 -0.36 -0.19 0.00 0.31 0.00 0.00 61.69 61.56 1c89 s THR 85 Cb -0.01 -0.82 -0.21 0.00 0.01 0.00 0.00 72.50 71.48 1c89 s THR 85 CO 0.28 -0.40 2.20 0.00 -0.69 0.00 0.00 174.62 176.01 1c89 n ALA 86 N 5.30 0.59 -2.22 7.40 0.00 -1.26 -4.23 120.51 126.09 1c89 n ALA 86 Ca -0.05 -1.28 -0.41 0.00 0.00 0.00 0.00 53.44 51.71 1c89 n ALA 86 Cb 0.47 -2.81 -0.05 0.00 0.00 0.00 0.00 19.45 17.06 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 9.36 4.51 0.48 0.00 2.34 -1.01 -4.67 118.68 129.70 1c89 s LEU 87 Ca 0.98 1.71 0.02 0.00 0.06 0.00 0.00 54.13 56.90 1c89 s LEU 87 Cb -0.34 -3.48 -0.01 0.00 -0.56 0.00 0.00 46.19 41.79 1c89 s LEU 87 CO 0.24 -0.00 0.05 0.42 -1.06 0.00 0.00 176.35 176.00 1c89 s THR 88 N -0.23 0.93 0.50 5.48 -4.23 -1.26 0.25 115.64 117.09 1c89 s THR 88 Ca 0.43 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.27 1c89 s THR 88 Cb -0.23 -2.18 0.52 0.00 1.34 0.00 0.00 72.50 71.95 1c89 s THR 88 CO 0.28 0.00 1.78 0.17 -0.54 0.00 0.00 174.62 176.31 1c89 h LEU 89 N 1.47 0.12 -0.38 4.79 -0.00 -1.95 0.29 115.31 119.66 1c89 h LEU 89 Ca -0.41 0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.48 1c89 h LEU 89 Cb 1.30 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.96 1c89 h LEU 89 CO 0.68 0.01 0.16 -0.37 -0.00 0.00 0.00 178.44 178.92 1c89 h VAL 90 N 0.10 1.18 0.00 0.15 -1.51 -2.00 -2.88 116.25 111.30 1c89 h VAL 90 Ca 0.60 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 65.53 1c89 h VAL 90 Cb 2.16 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 32.17 1c89 h VAL 90 CO -0.10 0.20 -0.51 0.24 -1.23 0.00 0.00 177.57 176.16 1c89 h MET 91 N 0.46 0.00 -5.52 5.19 2.86 -1.07 -3.45 114.93 113.40 1c89 h MET 91 Ca 0.13 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 57.15 1c89 h MET 91 Cb 0.16 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.73 1c89 h MET 91 CO -0.01 0.00 -0.41 -1.64 1.06 0.00 0.00 176.91 175.91 1c89 s MET 92 N -3.29 3.96 -0.27 1.72 1.00 0.73 -3.42 119.30 119.73 1c89 s MET 92 Ca 0.03 -0.04 0.03 0.00 0.00 0.00 0.00 55.69 55.71 1c89 s MET 92 Cb 0.07 -3.33 0.07 0.00 0.00 0.00 0.00 34.83 31.64 1c89 s MET 92 CO 0.73 0.47 -0.08 0.15 0.00 0.00 0.00 175.02 176.29 1c89 s LYS 93 N -0.18 2.02 -0.73 2.03 1.02 0.30 -4.67 119.74 119.53 1c89 s LYS 93 Ca 0.14 -1.38 -0.27 0.00 0.02 0.00 0.00 55.97 54.48 1c89 s LYS 93 Cb -0.12 -2.89 0.03 0.00 -0.52 0.00 0.00 37.83 34.33 1c89 s LYS 93 CO 0.03 -0.64 1.27 0.00 -0.92 0.00 0.00 175.35 175.10 1c89 s ALA 94 N 1.12 2.76 0.25 5.17 0.00 -1.26 0.33 121.76 130.13 1c89 s ALA 94 Ca -0.05 -1.37 0.10 0.00 0.00 0.00 0.00 51.96 50.64 1c89 s ALA 94 Cb -0.20 -4.25 -0.05 0.00 0.00 0.00 0.00 23.12 18.63 1c89 s ALA 94 CO -0.06 -3.26 -0.17 -1.83 0.00 0.00 0.00 175.76 170.44 1c89 s GLU 95 N 5.69 1.53 -0.95 0.00 -1.05 -0.42 -4.73 118.70 118.76 1c89 s GLU 95 Ca 0.35 -1.70 -0.24 0.00 -0.15 0.00 0.00 54.97 53.23 1c89 s GLU 95 Cb -0.08 -1.47 0.04 0.00 -0.44 0.00 0.00 34.13 32.18 1c89 s GLU 95 CO 0.15 0.25 1.47 -2.00 0.95 0.00 0.00 175.26 176.09 1c89 s GLU 96 N -3.58 3.40 0.11 -4.83 -6.30 -1.26 -1.21 118.70 105.04 1c89 s GLU 96 Ca 0.27 -0.85 -0.07 0.00 -2.50 0.00 0.00 54.97 51.82 1c89 s GLU 96 Cb -0.03 -5.10 -0.01 0.00 0.00 0.00 0.00 34.13 28.99 1c89 s GLU 96 CO 0.11 -2.32 0.17 0.54 0.02 0.00 0.00 175.26 173.79 1c89 s VAL 97 N 5.67 0.13 0.23 3.70 0.11 -1.26 -4.53 120.40 124.44 1c89 s VAL 97 Ca 0.47 -1.42 0.08 0.00 -2.93 0.00 0.00 61.98 58.18 1c89 s VAL 97 Cb -0.02 -1.60 -0.04 0.00 -1.53 0.00 0.00 36.38 33.19 1c89 s VAL 97 CO -0.04 -0.57 0.07 -0.94 -3.33 0.00 0.00 175.10 170.29 1c89 s SER 98 N -2.92 5.00 0.77 3.54 1.04 -1.26 -4.11 113.70 115.76 1c89 s SER 98 Ca 0.11 -0.41 -0.11 0.00 0.48 0.00 0.00 55.95 56.02 1c89 s SER 98 Cb 0.05 -1.12 0.05 0.00 0.10 0.00 0.00 66.02 65.10 1c89 s SER 98 CO -0.06 0.02 1.10 -2.16 0.98 0.00 0.00 173.24 173.11 1c89 s PRO 99 N -3.50 2.30 -0.78 4.02 0.04 -1.26 -4.74 135.00 131.09 1c89 s PRO 99 Ca 0.31 0.58 -0.23 0.00 0.04 0.00 0.00 61.00 61.70 1c89 s PRO 99 Cb -0.08 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.59 1c89 s PRO 99 CO 0.22 -1.45 1.12 -1.59 0.04 0.00 0.00 177.00 175.33 1c89 s LYS 100 N -5.22 3.29 0.00 4.56 0.00 -1.26 -4.93 119.74 116.18 1c89 s LYS 100 Ca 0.60 -0.97 0.00 0.00 0.00 0.00 0.00 55.97 55.60 1c89 s LYS 100 Cb -0.13 -4.52 0.00 0.00 0.00 0.00 0.00 37.83 33.18 1c89 s LYS 100 CO 0.53 -1.92 0.00 0.41 0.00 0.00 0.00 175.35 174.38 1c89 n GLY 101 N 5.58 1.79 3.45 0.59 0.00 -1.25 -4.94 105.19 110.40 1c89 n GLY 101 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 0.08 3.83 1.04 -0.61 1.01 -0.46 -4.84 121.20 121.25 1c89 s ILE 102 Ca 0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 60.65 60.13 1c89 s ILE 102 Cb 0.00 -2.71 0.21 0.00 0.01 0.00 0.00 42.46 39.97 1c89 s ILE 102 CO 0.00 0.46 1.15 -2.16 0.00 0.00 0.00 174.94 174.38 1c89 s PRO 103 N 0.77 0.07 -0.28 2.79 0.04 -1.26 -2.30 135.00 134.83 1c89 s PRO 103 Ca -0.01 0.10 0.04 0.00 0.04 0.00 0.00 61.00 61.17 1c89 s PRO 103 Cb -0.14 -1.73 0.49 0.00 0.04 0.00 0.00 34.50 33.15 1c89 s PRO 103 CO 0.02 -2.88 1.58 0.43 0.04 0.00 0.00 177.00 176.19 1c89 n SER 104 N -4.21 3.69 0.08 6.66 7.64 -1.26 -4.31 113.62 121.91 1c89 n SER 104 Ca 0.10 -3.02 -0.10 0.00 1.01 0.00 0.00 58.87 56.86 1c89 n SER 104 Cb 0.59 -0.71 -0.02 0.00 -1.01 0.00 0.00 64.21 63.06 1c89 n SER 104 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1c89 h GLU 105 N 1.13 0.27 -0.15 1.43 4.11 -1.94 -3.27 114.58 116.17 1c89 h GLU 105 Ca 0.35 -0.29 0.00 0.00 0.07 0.00 0.00 59.36 59.49 1c89 h GLU 105 Cb 2.15 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.48 1c89 h GLU 105 CO 0.68 1.00 0.00 0.39 0.07 0.00 0.00 179.01 181.15 1c89 n GLU 106 N -3.69 1.52 -0.30 1.06 1.02 -1.26 -4.61 120.64 114.37 1c89 n GLU 106 Ca -0.05 -1.59 0.13 0.00 -0.02 0.00 0.00 57.16 55.64 1c89 n GLU 106 Cb 0.81 -1.28 0.30 0.00 -0.02 0.00 0.00 31.44 31.25 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 2.63 0.41 -1.18 -3.67 2.10 -1.79 0.50 117.51 116.52 1c89 h ILE 107 Ca 0.00 -0.11 0.34 0.00 1.08 0.00 0.00 64.86 66.17 1c89 h ILE 107 Cb 0.64 0.06 -0.05 0.00 -1.09 0.00 0.00 36.82 36.38 1c89 h ILE 107 CO 0.00 0.06 0.92 0.28 -1.08 0.00 0.00 178.15 178.33 1c89 h SER 108 N 0.32 0.00 0.27 2.19 0.02 -1.82 1.19 113.55 115.72 1c89 h SER 108 Ca 0.56 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 61.24 1c89 h SER 108 Cb 1.10 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.59 1c89 h SER 108 CO -0.57 0.00 -1.97 1.17 -1.14 0.00 0.00 176.83 174.32 1c89 n LYS 109 N -3.98 0.66 -0.32 3.45 3.00 0.17 -4.15 118.16 116.98 1c89 n LYS 109 Ca 0.26 0.10 0.12 0.00 -0.00 0.00 0.00 58.31 58.78 1c89 n LYS 109 Cb 1.30 -1.65 0.30 0.00 0.00 0.00 0.00 35.03 34.98 1c89 n LYS 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1c89 n LEU 110 N -2.81 3.73 -4.73 3.14 4.77 0.12 -4.92 117.00 116.31 1c89 n LEU 110 Ca -0.21 -1.81 -0.42 0.00 -0.03 0.00 0.00 56.01 53.54 1c89 n LEU 110 Cb 1.01 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1c89 n LEU 110 CO 0.44 0.90 1.17 -0.69 -1.33 0.00 0.00 177.39 177.89 1c89 s VAL 111 N -1.15 2.65 -1.11 4.08 1.01 0.37 -1.80 120.40 124.45 1c89 s VAL 111 Ca 0.46 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1c89 s VAL 111 Cb 0.24 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1c89 s VAL 111 CO 0.32 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1c89 n GLY 112 N 3.11 0.87 3.77 4.51 0.00 0.70 -4.91 105.19 113.24 1c89 n GLY 112 Ca 0.11 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 1c89 n GLY 112 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1c89 s MET 113 N -3.37 4.34 -0.07 1.61 1.00 -0.74 -4.23 119.30 117.84 1c89 s MET 113 Ca 0.00 1.74 -0.22 0.00 0.00 0.00 0.00 55.69 57.20 1c89 s MET 113 Cb 0.00 -2.86 -0.04 0.00 0.00 0.00 0.00 34.83 31.93 1c89 s MET 113 CO 0.00 -0.04 0.65 -0.65 0.00 0.00 0.00 175.02 174.98 1c89 s GLN 114 N -1.98 4.41 0.38 2.03 -0.21 -1.26 -2.39 119.66 120.64 1c89 s GLN 114 Ca 0.52 0.79 -0.09 0.00 0.02 0.00 0.00 55.36 56.60 1c89 s GLN 114 Cb -0.29 -3.44 -0.06 0.00 1.00 0.00 0.00 33.01 30.23 1c89 s GLN 114 CO 0.37 0.11 0.72 0.54 -2.12 0.00 0.00 175.29 174.90 1c89 s VAL 115 N 0.69 4.85 -2.13 1.09 0.11 -1.26 -4.82 120.40 118.93 1c89 s VAL 115 Ca 0.35 0.46 0.22 0.00 -2.93 0.00 0.00 61.98 60.08 1c89 s VAL 115 Cb -0.17 -3.74 0.02 0.00 -1.53 0.00 0.00 36.38 30.96 1c89 s VAL 115 CO 0.17 -0.49 1.09 -3.20 -3.33 0.00 0.00 175.10 169.34 1c89 n ASN 116 N -1.26 2.14 -3.35 3.54 5.15 -1.26 -0.79 115.26 119.43 1c89 n ASN 116 Ca 0.01 -1.57 -0.19 0.00 -0.60 0.00 0.00 54.58 52.24 1c89 n ASN 116 Cb 0.54 0.41 -0.04 0.00 -0.53 0.00 0.00 39.78 40.15 1c89 n ASN 116 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1c89 n ARG 117 N 0.17 0.94 -3.26 1.20 -4.01 -1.26 -4.71 116.66 105.73 1c89 n ARG 117 Ca 0.10 -2.30 -0.31 0.00 -1.04 0.00 0.00 57.85 54.29 1c89 n ARG 117 Cb 0.48 0.94 -0.05 0.00 -3.04 0.00 0.00 32.46 30.79 1c89 n ARG 117 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1c89 s ALA 118 N -2.64 3.49 -0.03 2.89 0.00 -1.26 -3.74 121.76 120.46 1c89 s ALA 118 Ca 0.07 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 51.84 1c89 s ALA 118 Cb 0.00 -2.53 -0.00 0.00 0.00 0.00 0.00 23.12 20.59 1c89 s ALA 118 CO 0.05 0.35 -0.16 0.08 0.00 0.00 0.00 175.76 176.09 1c89 s VAL 119 N -1.98 1.28 0.01 0.00 1.01 0.11 -4.91 120.40 115.93 1c89 s VAL 119 Ca 0.49 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1c89 s VAL 119 Cb -0.11 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1c89 s VAL 119 CO 0.23 0.37 0.01 -1.22 0.00 0.00 0.00 175.10 174.49 1c89 n TYR 120 N 3.03 -3.24 0.00 5.22 4.01 -1.26 -1.88 117.16 123.04 1c89 n TYR 120 Ca -0.17 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1c89 n TYR 120 Cb 0.54 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1c89 n TYR 120 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1c89 n LEU 121 N 0.00 0.00 -4.40 7.72 -0.00 -1.26 -4.12 117.00 114.94 1c89 n LEU 121 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.86 1c89 n LEU 121 Cb 0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.28 1c89 n LEU 121 CO 0.01 0.00 1.66 0.47 -0.00 0.00 0.00 177.39 179.52 1c89 n ASP 122 N 0.00 -0.95 -4.42 1.96 8.00 -0.37 -4.55 116.55 116.21 1c89 n ASP 122 Ca 0.00 -0.99 -0.29 0.00 0.71 0.00 0.00 54.79 54.21 1c89 n ASP 122 Cb 0.00 -0.78 -0.13 0.00 -0.02 0.00 0.00 41.12 40.19 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 6.93 1.65 0.21 -1.24 0.74 -0.94 -3.89 119.66 123.12 1c89 s GLN 123 Ca 0.94 -1.22 -0.30 0.00 0.05 0.00 0.00 55.36 54.83 1c89 s GLN 123 Cb -0.51 -2.01 -0.08 0.00 1.10 0.00 0.00 33.01 31.51 1c89 s GLN 123 CO 0.35 0.48 0.98 0.99 -0.55 0.00 0.00 175.29 177.54 1c89 s THR 124 N -1.03 4.05 0.01 -0.34 2.01 -1.26 0.11 115.64 119.20 1c89 s THR 124 Ca 0.15 1.95 -0.30 0.00 0.31 0.00 0.00 61.69 63.80 1c89 s THR 124 Cb -0.10 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 1c89 s THR 124 CO 0.06 0.42 1.00 -0.22 -0.69 0.00 0.00 174.62 175.19 1c89 s LEU 125 N -0.89 4.38 0.16 4.42 2.96 -0.71 -4.88 118.68 124.12 1c89 s LEU 125 Ca 0.44 1.70 0.08 0.00 -0.22 0.00 0.00 54.13 56.12 1c89 s LEU 125 Cb -0.27 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.81 1c89 s LEU 125 CO 0.33 -0.26 -0.17 -0.04 -1.32 0.00 0.00 176.35 174.89 1c89 s MET 126 N 0.92 1.21 0.52 1.98 -1.94 -1.26 -1.36 119.30 119.38 1c89 s MET 126 Ca 0.52 -1.39 0.31 0.00 -1.71 0.00 0.00 55.69 53.42 1c89 s MET 126 Cb -0.22 -1.18 1.09 0.00 2.01 0.00 0.00 34.83 36.52 1c89 s MET 126 CO 0.28 0.23 1.88 -1.00 -0.01 0.00 0.00 175.02 176.41 1c89 h PRO 127 N 3.22 0.00 -0.00 2.03 0.13 -1.95 -2.74 132.00 132.68 1c89 h PRO 127 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1c89 h PRO 127 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1c89 h PRO 127 CO 0.52 0.01 -0.20 -0.25 -0.23 0.00 0.00 178.00 177.85 1c89 n ASP 128 N -3.10 0.46 0.08 1.44 8.00 -1.26 -3.85 116.55 118.32 1c89 n ASP 128 Ca 0.01 -0.34 -0.23 0.00 0.71 0.00 0.00 54.79 54.94 1c89 n ASP 128 Cb 0.37 -0.05 -0.15 0.00 -0.02 0.00 0.00 41.12 41.27 1c89 n ASP 128 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1c89 h MET 129 N 0.41 0.41 -7.59 -1.24 4.05 -1.90 -3.46 114.93 105.60 1c89 h MET 129 Ca 0.00 -0.70 -0.46 0.00 -0.28 0.00 0.00 59.70 58.26 1c89 h MET 129 Cb 0.44 0.26 0.11 0.00 -0.80 0.00 0.00 31.60 31.61 1c89 h MET 129 CO 0.00 1.33 0.36 0.08 0.23 0.00 0.00 176.91 178.91 1c89 s VAL 130 N -2.56 2.06 0.00 -5.77 1.01 -1.25 -4.53 120.40 109.37 1c89 s VAL 130 Ca -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1c89 s VAL 130 Cb 0.04 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1c89 s VAL 130 CO 0.86 0.00 0.03 0.29 0.00 0.00 0.00 175.10 176.29 1c89 n LYS 131 N -3.35 0.00 -3.39 2.72 5.02 -1.26 -4.62 118.16 113.28 1c89 n LYS 131 Ca 0.11 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 1c89 n LYS 131 Cb 0.60 -0.25 -0.01 0.00 -0.02 0.00 0.00 35.03 35.35 1c89 n LYS 131 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1c89 n ASN 132 N -0.12 5.30 -4.72 4.39 6.94 -1.26 -5.01 115.26 120.78 1c89 n ASN 132 Ca 0.00 -3.06 -0.34 0.00 -0.02 0.00 0.00 54.58 51.15 1c89 n ASN 132 Cb 0.00 -1.32 0.09 0.00 -2.36 0.00 0.00 39.78 36.19 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1c89 s TYR 133 N -1.34 2.04 -2.62 -2.53 5.04 -1.26 -5.22 117.35 111.47 1c89 s TYR 133 Ca 0.30 1.59 0.27 0.00 -2.44 0.00 0.00 57.07 56.80 1c89 s TYR 133 Cb -0.09 -3.49 0.85 0.00 0.35 0.00 0.00 41.96 39.58 1c89 s TYR 133 CO -0.09 -2.64 1.63 0.39 -1.34 0.00 0.00 175.55 173.51