#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c89 n LYS 2 N 0.00 -0.59 -2.57 1.20 5.02 -1.26 -5.00 118.16 114.96 1c89 n LYS 2 Ca 0.00 -0.51 -0.37 0.00 -2.02 0.00 0.00 58.31 55.41 1c89 n LYS 2 Cb 0.00 -0.36 -0.04 0.00 -0.02 0.00 0.00 35.03 34.60 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 -3.78 3.17 0.32 7.82 0.00 -1.26 -4.65 121.76 123.38 1c89 s ALA 3 Ca 0.19 0.71 0.08 0.00 0.00 0.00 0.00 51.96 52.94 1c89 s ALA 3 Cb -0.01 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1c89 s ALA 3 CO 0.14 -0.13 0.12 0.45 0.00 0.00 0.00 175.76 176.34 1c89 s SER 4 N -1.44 4.73 -0.81 0.00 0.15 -0.42 -4.17 113.70 111.75 1c89 s SER 4 Ca 0.54 -0.70 -0.26 0.00 0.70 0.00 0.00 55.95 56.23 1c89 s SER 4 Cb -0.23 -0.80 0.03 0.00 -1.71 0.00 0.00 66.02 63.30 1c89 s SER 4 CO 0.29 -0.23 1.41 -0.69 1.20 0.00 0.00 173.24 175.23 1c89 s VAL 5 N -2.38 3.72 -0.25 4.45 1.01 -1.03 -2.50 120.40 123.43 1c89 s VAL 5 Ca 0.36 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 1c89 s VAL 5 Cb -0.04 -4.82 0.03 0.00 0.00 0.00 0.00 36.38 31.56 1c89 s VAL 5 CO 0.22 -1.74 -0.08 -0.69 0.00 0.00 0.00 175.10 172.81 1c89 s VAL 6 N 6.08 2.69 0.16 2.92 1.01 0.35 -1.21 120.40 132.40 1c89 s VAL 6 Ca 0.43 -1.13 -0.33 0.00 0.00 0.00 0.00 61.98 60.95 1c89 s VAL 6 Cb -0.06 -2.39 -0.13 0.00 0.00 0.00 0.00 36.38 33.80 1c89 s VAL 6 CO 0.08 0.18 1.67 0.00 0.00 0.00 0.00 175.10 177.04 1c89 n ALA 7 N 4.63 1.95 0.11 5.51 0.00 -0.42 -2.63 120.51 129.66 1c89 n ALA 7 Ca -0.16 0.41 -0.24 0.00 0.00 0.00 0.00 53.44 53.45 1c89 n ALA 7 Cb 0.46 -2.45 -0.15 0.00 0.00 0.00 0.00 19.45 17.31 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 6.66 0.73 -2.04 0.00 -0.73 -1.84 0.57 115.58 118.94 1c89 h ASN 8 Ca -0.45 -0.91 -0.47 0.00 1.87 0.00 0.00 56.30 56.34 1c89 h ASN 8 Cb 1.23 -0.24 0.09 0.00 0.27 0.00 0.00 38.32 39.67 1c89 h ASN 8 CO 0.92 1.74 0.13 0.00 -0.37 0.00 0.00 177.43 179.85 1c89 s GLN 9 N -2.59 1.51 -0.09 6.67 -2.07 -1.26 -2.20 119.66 119.63 1c89 s GLN 9 Ca -0.12 -1.19 -0.20 0.00 -1.82 0.00 0.00 55.36 52.02 1c89 s GLN 9 Cb 0.05 -2.31 -0.04 0.00 -1.09 0.00 0.00 33.01 29.62 1c89 s GLN 9 CO 0.90 -1.58 0.56 -1.17 -1.32 0.00 0.00 175.29 172.69 1c89 s LEU 10 N -5.20 4.30 -0.17 2.60 0.20 -1.26 -4.08 118.68 115.06 1c89 s LEU 10 Ca 0.68 0.97 -0.07 0.00 0.69 0.00 0.00 54.13 56.40 1c89 s LEU 10 Cb -0.04 -2.85 -0.04 0.00 -0.43 0.00 0.00 46.19 42.83 1c89 s LEU 10 CO 0.45 -0.03 0.06 -0.63 -0.29 0.00 0.00 176.35 175.91 1c89 s ILE 11 N 0.62 4.81 0.00 6.68 1.01 -0.40 -4.93 121.20 128.98 1c89 s ILE 11 Ca 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.92 1c89 s ILE 11 Cb -0.16 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1c89 s ILE 11 CO 0.14 0.48 0.00 -0.81 0.00 0.00 0.00 174.94 174.74 1c89 n PRO 12 N 3.36 1.07 -3.25 2.79 -0.04 -1.26 0.20 135.00 137.87 1c89 n PRO 12 Ca -0.17 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.06 1c89 n PRO 12 Cb 0.52 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1c89 n PRO 12 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1c89 s ILE 13 N 0.00 4.77 -0.98 0.52 -5.25 -1.26 -4.25 121.20 114.76 1c89 s ILE 13 Ca 0.00 -0.46 -0.13 0.00 -0.99 0.00 0.00 60.65 59.06 1c89 s ILE 13 Cb 0.00 -3.75 0.02 0.00 2.95 0.00 0.00 42.46 41.68 1c89 s ILE 13 CO 0.00 -0.50 0.65 0.59 -1.79 0.00 0.00 174.94 173.89 1c89 n ASN 14 N -1.88 -4.75 -3.74 4.36 3.02 -0.66 -4.89 115.26 106.73 1c89 n ASN 14 Ca -0.03 -1.05 -0.20 0.00 -0.03 0.00 0.00 54.58 53.27 1c89 n ASN 14 Cb 0.57 -1.91 -0.17 0.00 -0.61 0.00 0.00 39.78 37.65 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 0.13 -0.89 3.41 2.01 -1.26 -4.88 115.64 110.96 1c89 s THR 15 Ca 0.20 0.24 -0.25 0.00 0.31 0.00 0.00 61.69 62.19 1c89 s THR 15 Cb -0.10 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.10 1c89 s THR 15 CO 0.92 0.20 1.63 0.00 -0.69 0.00 0.00 174.62 176.68 1c89 s ALA 16 N 1.83 2.32 0.47 7.40 0.00 -1.26 -3.56 121.76 128.97 1c89 s ALA 16 Ca 0.02 -1.67 -0.19 0.00 0.00 0.00 0.00 51.96 50.11 1c89 s ALA 16 Cb -0.12 -4.47 -0.14 0.00 0.00 0.00 0.00 23.12 18.39 1c89 s ALA 16 CO -0.04 -3.98 0.07 1.28 0.00 0.00 0.00 175.76 173.10 1c89 n LEU 17 N 11.06 -2.63 -4.67 0.00 4.77 -1.08 -4.07 117.00 120.38 1c89 n LEU 17 Ca 0.29 0.73 -0.30 0.00 -0.03 0.00 0.00 56.01 56.70 1c89 n LEU 17 Cb 0.50 -0.92 -0.09 0.00 -2.33 0.00 0.00 43.42 40.57 1c89 n LEU 17 CO 0.66 -4.26 -0.27 0.42 -1.33 0.00 0.00 177.39 172.60 1c89 s THR 18 N -1.83 1.54 0.42 -5.08 -4.23 -1.26 0.24 115.64 105.44 1c89 s THR 18 Ca 0.60 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.31 1c89 s THR 18 Cb -0.54 -2.60 0.22 0.00 1.34 0.00 0.00 72.50 70.92 1c89 s THR 18 CO 0.63 0.00 2.01 0.25 -0.54 0.00 0.00 174.62 176.97 1c89 h LEU 19 N 1.61 0.00 -0.33 4.79 6.46 -1.94 -1.39 115.31 124.51 1c89 h LEU 19 Ca -0.43 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.25 1c89 h LEU 19 Cb 1.27 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.19 1c89 h LEU 19 CO 0.77 0.18 -0.09 0.40 -0.62 0.00 0.00 178.44 179.07 1c89 h ILE 20 N 0.00 1.28 -0.00 4.05 5.03 -2.01 -2.85 117.51 123.01 1c89 h ILE 20 Ca -0.00 -1.16 0.00 0.00 -0.12 0.00 0.00 64.86 63.58 1c89 h ILE 20 Cb 0.37 1.35 0.00 0.00 -3.03 0.00 0.00 36.82 35.51 1c89 h ILE 20 CO 0.02 0.38 -0.14 0.23 -0.68 0.00 0.00 178.15 177.96 1c89 n MET 21 N -4.42 0.68 -3.43 2.37 2.81 -1.04 -4.74 117.12 109.34 1c89 n MET 21 Ca -0.02 -0.26 -0.40 0.00 -1.81 0.00 0.00 57.70 55.20 1c89 n MET 21 Cb 0.34 -1.49 -0.10 0.00 -0.71 0.00 0.00 33.22 31.26 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 -2.50 3.64 -0.09 0.03 0.00 -0.55 -2.64 119.30 117.19 1c89 s MET 22 Ca 0.27 -0.38 0.00 0.00 0.00 0.00 0.00 55.69 55.58 1c89 s MET 22 Cb 0.20 -3.77 -0.03 0.00 0.00 0.00 0.00 34.83 31.23 1c89 s MET 22 CO 0.49 -0.46 -0.08 0.21 0.00 0.00 0.00 175.02 175.18 1c89 s LYS 23 N 1.97 3.03 -1.15 4.11 2.47 -1.08 -4.87 119.74 124.21 1c89 s LYS 23 Ca 0.11 -0.59 -0.08 0.00 -1.56 0.00 0.00 55.97 53.85 1c89 s LYS 23 Cb -0.16 -2.64 0.25 0.00 -1.46 0.00 0.00 37.83 33.82 1c89 s LYS 23 CO 0.11 0.49 1.47 0.00 0.16 0.00 0.00 175.35 177.58 1c89 n ALA 24 N 2.75 4.78 -2.82 3.13 0.00 -1.26 -0.50 120.51 126.59 1c89 n ALA 24 Ca -0.18 -4.58 -0.32 0.00 0.00 0.00 0.00 53.44 48.35 1c89 n ALA 24 Cb 0.53 -2.62 -0.06 0.00 0.00 0.00 0.00 19.45 17.30 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 -1.08 3.16 -0.75 0.00 2.12 -1.04 -4.60 118.70 116.51 1c89 s GLU 25 Ca 0.35 -0.48 -0.21 0.00 0.36 0.00 0.00 54.97 54.99 1c89 s GLU 25 Cb 0.01 -2.91 0.09 0.00 0.26 0.00 0.00 34.13 31.58 1c89 s GLU 25 CO 0.02 0.64 1.02 0.08 -0.54 0.00 0.00 175.26 176.48 1c89 s VAL 26 N -1.28 4.45 0.26 3.70 1.01 -1.26 -1.30 120.40 125.97 1c89 s VAL 26 Ca 0.26 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 1c89 s VAL 26 Cb -0.12 -4.72 -0.01 0.00 0.00 0.00 0.00 36.38 31.53 1c89 s VAL 26 CO 0.18 -1.48 0.44 0.68 0.00 0.00 0.00 175.10 174.92 1c89 s VAL 27 N 3.64 0.00 0.23 2.92 -7.23 -1.26 -4.98 120.40 113.73 1c89 s VAL 27 Ca 0.25 -1.50 0.05 0.00 -1.81 0.00 0.00 61.98 58.98 1c89 s VAL 27 Cb -0.13 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 1c89 s VAL 27 CO 0.04 0.00 0.33 0.42 -0.31 0.00 0.00 175.10 175.58 1c89 s THR 28 N -3.87 5.15 0.57 5.32 -4.23 -1.26 -4.00 115.64 113.33 1c89 s THR 28 Ca 0.25 -1.01 -0.16 0.00 -1.18 0.00 0.00 61.69 59.59 1c89 s THR 28 Cb 0.00 -3.78 -0.05 0.00 1.34 0.00 0.00 72.50 70.01 1c89 s THR 28 CO 0.11 -0.31 1.04 -2.16 -0.54 0.00 0.00 174.62 172.77 1c89 s PRO 29 N -3.88 3.47 -1.05 3.99 0.04 -1.26 -4.95 135.00 131.37 1c89 s PRO 29 Ca 0.34 1.16 -0.22 0.00 0.04 0.00 0.00 61.00 62.32 1c89 s PRO 29 Cb -0.09 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 1c89 s PRO 29 CO 0.28 -0.68 1.92 0.00 0.04 0.00 0.00 177.00 178.56 1c89 n MET 30 N -1.89 1.61 0.00 4.56 0.00 -1.26 -4.89 117.12 115.25 1c89 n MET 30 Ca 0.08 -2.28 0.00 0.00 0.00 0.00 0.00 57.70 55.50 1c89 n MET 30 Cb 0.53 -3.45 0.00 0.00 0.00 0.00 0.00 33.22 30.30 1c89 n MET 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1c89 n GLY 31 N 5.36 -2.84 3.75 3.17 0.00 -1.26 -4.88 105.19 108.49 1c89 n GLY 31 Ca 0.47 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 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 4.37 0.85 -0.61 1.01 -0.95 -4.96 121.20 120.91 1c89 s ILE 32 Ca 0.00 1.96 -0.14 0.00 0.00 0.00 0.00 60.65 62.46 1c89 s ILE 32 Cb 0.00 -4.27 0.21 0.00 0.01 0.00 0.00 42.46 38.41 1c89 s ILE 32 CO 0.00 0.42 0.81 -0.81 0.00 0.00 0.00 174.94 175.36 1c89 n PRO 33 N 2.18 -2.25 -0.10 2.79 -0.04 -1.26 -2.47 135.00 133.85 1c89 n PRO 33 Ca -0.01 -1.29 0.02 0.00 -0.04 0.00 0.00 63.50 62.19 1c89 n PRO 33 Cb 0.49 -1.13 0.07 0.00 -0.04 0.00 0.00 33.50 32.88 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 -4.21 2.54 -0.17 0.55 0.00 -1.26 -4.14 120.51 113.82 1c89 n ALA 34 Ca -0.15 -0.30 -0.04 0.00 0.00 0.00 0.00 53.44 52.96 1c89 n ALA 34 Cb 0.42 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.93 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 0.89 0.49 -1.07 0.00 4.39 -1.94 -1.46 114.58 115.88 1c89 h GLU 35 Ca 0.00 -0.03 -0.42 0.00 0.34 0.00 0.00 59.36 59.25 1c89 h GLU 35 Cb 0.32 -0.11 -0.23 0.00 -0.10 0.00 0.00 28.75 28.64 1c89 h GLU 35 CO 0.02 0.32 0.53 0.39 -1.16 0.00 0.00 179.01 179.11 1c89 n GLU 36 N -4.89 2.01 -0.05 2.33 1.02 -1.26 -4.63 120.64 115.18 1c89 n GLU 36 Ca 0.05 -2.28 -0.10 0.00 -0.02 0.00 0.00 57.16 54.80 1c89 n GLU 36 Cb 0.15 -1.90 -0.04 0.00 -0.02 0.00 0.00 31.44 29.63 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 0.81 0.20 0.00 -3.67 1.08 -1.53 2.46 117.51 116.86 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 1.99 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.94 1c89 h ILE 37 CO 0.92 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.57 1c89 n PRO 38 N -5.42 0.18 -0.13 2.37 -0.04 -1.26 -1.58 135.00 129.12 1c89 n PRO 38 Ca -0.02 0.36 -0.27 0.00 -0.04 0.00 0.00 63.50 63.53 1c89 n PRO 38 Cb 0.34 -1.82 -0.11 0.00 -0.04 0.00 0.00 33.50 31.88 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 -2.15 1.96 0.13 3.54 4.13 0.58 -4.48 115.26 118.96 1c89 n ASN 39 Ca 0.03 0.28 -0.02 0.00 1.68 0.00 0.00 54.58 56.55 1c89 n ASN 39 Cb 0.26 -0.78 0.18 0.00 -1.54 0.00 0.00 39.78 37.90 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 -0.84 0.08 -9.35 3.41 4.07 0.40 -3.45 115.31 109.63 1c89 h LEU 40 Ca -0.65 -0.05 -0.58 0.00 0.08 0.00 0.00 57.88 56.68 1c89 h LEU 40 Cb 1.64 -0.02 0.18 0.00 1.08 0.00 0.00 40.66 43.53 1c89 h LEU 40 CO -0.35 0.64 -0.72 0.52 -1.08 0.00 0.00 178.44 177.45 1c89 n VAL 41 N -3.87 1.32 -0.98 1.22 0.31 -0.61 -0.95 118.33 114.77 1c89 n VAL 41 Ca -0.02 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1c89 n VAL 41 Cb 0.59 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 1c89 n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c89 n GLY 42 N 2.08 0.22 3.69 2.92 0.00 0.64 -4.85 105.19 109.90 1c89 n GLY 42 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.12 4.29 -0.08 1.61 0.00 -0.13 -4.04 119.30 119.83 1c89 s MET 43 Ca 0.00 1.99 -0.24 0.00 0.00 0.00 0.00 55.69 57.44 1c89 s MET 43 Cb 0.00 -3.52 -0.03 0.00 0.00 0.00 0.00 34.83 31.28 1c89 s MET 43 CO 0.00 -0.55 0.71 -0.65 0.00 0.00 0.00 175.02 174.53 1c89 s GLN 44 N 2.18 4.42 0.61 3.16 -0.21 -1.23 -2.62 119.66 125.96 1c89 s GLN 44 Ca 0.64 0.89 -0.06 0.00 0.02 0.00 0.00 55.36 56.85 1c89 s GLN 44 Cb -0.32 -3.46 0.02 0.00 1.00 0.00 0.00 33.01 30.24 1c89 s GLN 44 CO 0.27 0.02 0.92 0.14 -2.12 0.00 0.00 175.29 174.53 1c89 s VAL 45 N 0.95 3.45 -0.40 1.09 -7.23 -1.25 -4.41 120.40 112.60 1c89 s VAL 45 Ca 0.37 -0.02 0.22 0.00 -1.81 0.00 0.00 61.98 60.75 1c89 s VAL 45 Cb -0.18 -3.39 -0.16 0.00 0.56 0.00 0.00 36.38 33.22 1c89 s VAL 45 CO 0.17 -0.40 0.88 -3.20 -0.31 0.00 0.00 175.10 172.24 1c89 n ASN 46 N -2.65 0.52 -3.89 4.85 5.15 -1.26 -1.65 115.26 116.34 1c89 n ASN 46 Ca 0.05 -0.08 -0.19 0.00 -0.60 0.00 0.00 54.58 53.76 1c89 n ASN 46 Cb 0.58 1.05 -0.09 0.00 -0.53 0.00 0.00 39.78 40.79 1c89 n ASN 46 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c89 s ARG 47 N -3.31 1.65 0.47 1.20 1.70 -1.26 -4.75 118.95 114.65 1c89 s ARG 47 Ca -0.00 -1.95 -0.21 0.00 -0.47 0.00 0.00 55.73 53.09 1c89 s ARG 47 Cb 0.13 -0.06 -0.08 0.00 -0.57 0.00 0.00 34.95 34.37 1c89 s ARG 47 CO 0.83 -0.49 1.08 0.00 -1.08 0.00 0.00 175.30 175.64 1c89 s ALA 48 N -3.55 2.90 -0.07 7.88 0.00 -1.26 -4.30 121.76 123.36 1c89 s ALA 48 Ca 0.35 0.72 0.04 0.00 0.00 0.00 0.00 51.96 53.08 1c89 s ALA 48 Cb 0.04 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1c89 s ALA 48 CO 0.19 -0.43 -0.20 0.08 0.00 0.00 0.00 175.76 175.40 1c89 s VAL 49 N -1.79 2.53 1.11 0.00 1.01 0.53 -4.98 120.40 118.81 1c89 s VAL 49 Ca 0.66 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 1c89 s VAL 49 Cb -0.21 -1.97 0.27 0.00 0.00 0.00 0.00 36.38 34.46 1c89 s VAL 49 CO 0.25 0.57 1.19 -0.81 0.00 0.00 0.00 175.10 176.29 1c89 n PRO 50 N 2.92 -2.32 -2.69 2.72 -0.04 -1.26 -1.28 135.00 133.05 1c89 n PRO 50 Ca -0.18 -1.86 -0.37 0.00 -0.04 0.00 0.00 63.50 61.05 1c89 n PRO 50 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 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 4.28 -1.38 1.53 1.02 -1.26 -3.47 118.68 119.40 1c89 s LEU 51 Ca 0.72 1.92 -0.02 0.00 0.02 0.00 0.00 54.13 56.77 1c89 s LEU 51 Cb -0.05 -4.06 0.00 0.00 0.02 0.00 0.00 46.19 42.10 1c89 s LEU 51 CO 0.53 -0.22 0.33 0.61 0.02 0.00 0.00 176.35 177.62 1c89 n GLY 52 N 0.49 -0.34 3.62 -3.19 0.00 0.19 -4.94 105.19 101.02 1c89 n GLY 52 Ca 0.03 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.01 4.65 0.93 2.61 2.01 -0.61 -4.74 115.64 117.48 1c89 s THR 53 Ca 0.16 1.39 -0.11 0.00 0.31 0.00 0.00 61.69 63.44 1c89 s THR 53 Cb -0.07 -4.28 0.15 0.00 0.01 0.00 0.00 72.50 68.30 1c89 s THR 53 CO 0.20 -0.39 1.10 0.28 -0.69 0.00 0.00 174.62 175.12 1c89 s THR 54 N 3.31 2.48 -0.96 -0.82 -1.32 -1.26 -1.31 115.64 115.77 1c89 s THR 54 Ca 0.38 0.16 -0.24 0.00 -1.21 0.00 0.00 61.69 60.78 1c89 s THR 54 Cb -0.13 -2.41 -0.03 0.00 -1.51 0.00 0.00 72.50 68.41 1c89 s THR 54 CO 0.15 -0.20 1.86 -0.22 -2.21 0.00 0.00 174.62 173.99 1c89 s LEU 55 N -6.47 3.22 -0.08 9.08 1.98 -0.35 -4.82 118.68 121.24 1c89 s LEU 55 Ca 0.65 -0.94 -0.13 0.00 -2.89 0.00 0.00 54.13 50.82 1c89 s LEU 55 Cb -0.21 -2.56 -0.05 0.00 0.66 0.00 0.00 46.19 44.03 1c89 s LEU 55 CO 0.58 -2.54 0.31 -0.04 -1.89 0.00 0.00 176.35 172.77 1c89 s MET 56 N 6.56 3.92 0.31 1.98 -1.94 -1.26 -2.25 119.30 126.62 1c89 s MET 56 Ca 0.66 0.19 0.15 0.00 -1.71 0.00 0.00 55.69 54.97 1c89 s MET 56 Cb -0.05 -3.28 0.42 0.00 2.01 0.00 0.00 34.83 33.93 1c89 s MET 56 CO -0.01 0.55 1.62 -1.00 -0.01 0.00 0.00 175.02 176.17 1c89 h PRO 57 N 5.45 0.00 -0.19 2.03 0.13 -1.92 -2.94 132.00 134.56 1c89 h PRO 57 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1c89 h PRO 57 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1c89 h PRO 57 CO 0.65 0.52 -0.11 -0.44 -0.23 0.00 0.00 178.00 178.39 1c89 h ASP 58 N 0.00 0.29 -0.57 1.44 5.19 -1.98 -2.37 116.42 118.43 1c89 h ASP 58 Ca -0.01 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1c89 h ASP 58 Cb 1.10 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.54 1c89 h ASP 58 CO 0.07 0.44 0.00 0.23 -3.12 0.00 0.00 179.24 176.86 1c89 n MET 59 N -4.26 3.36 -5.21 3.56 2.81 -1.18 -4.92 117.12 111.28 1c89 n MET 59 Ca -0.00 -2.71 -0.32 0.00 -1.81 0.00 0.00 57.70 52.86 1c89 n MET 59 Cb 0.27 -1.73 -0.17 0.00 -0.71 0.00 0.00 33.22 30.88 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 -1.68 2.02 0.00 2.03 1.01 -0.89 -4.01 120.40 118.88 1c89 s VAL 60 Ca 0.45 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1c89 s VAL 60 Cb 0.28 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1c89 s VAL 60 CO 0.23 0.55 0.00 1.17 0.00 0.00 0.00 175.10 177.05 1c89 n LYS 61 N 3.36 1.99 -2.56 2.72 3.00 -1.26 -4.73 118.16 120.68 1c89 n LYS 61 Ca -0.19 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.69 1c89 n LYS 61 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 1c89 n LYS 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1c89 n ASN 62 N 0.00 4.92 0.00 3.14 3.02 -1.26 -4.91 115.26 120.16 1c89 n ASN 62 Ca 0.00 -2.96 0.00 0.00 -0.03 0.00 0.00 54.58 51.59 1c89 n ASN 62 Cb 0.00 -1.64 0.00 0.00 -0.61 0.00 0.00 39.78 37.53 1c89 n ASN 62 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1c89 n TYR 63 N 6.48 0.00 -1.72 3.10 0.18 -1.26 -5.01 117.16 118.93 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 0.43 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.39 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 1.91 -0.64 -3.48 -0.58 -1.26 -4.99 120.64 111.60 1c89 n GLU 64 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 1c89 n GLU 64 Cb 0.00 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 30.91 1c89 n GLU 64 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1c89 n ASP 65 N 0.00 5.14 -0.99 1.62 2.03 -1.26 -4.27 116.55 118.81 1c89 n ASP 65 Ca 0.00 -2.74 0.04 0.00 0.52 0.00 0.00 54.79 52.61 1c89 n ASP 65 Cb 0.00 -0.92 0.18 0.00 -0.72 0.00 0.00 41.12 39.65 1c89 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c89 n GLY 66 N 0.47 1.72 0.00 0.27 0.00 -1.26 -4.87 105.19 101.53 1c89 n GLY 66 Ca 0.20 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1c89 n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1c89 n THR 67 N 0.35 0.00 0.00 2.61 -2.24 -1.26 -5.11 114.28 108.63 1c89 n THR 67 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1c89 n THR 67 Cb 0.57 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 1c89 n THR 67 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1c89 n THR 68 N 0.00 0.00 -2.94 4.28 -2.24 -1.26 -5.04 114.28 107.08 1c89 n THR 68 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1c89 n THR 68 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1c89 n THR 68 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1c89 s SER 69 N -1.00 7.18 0.00 3.42 0.01 -1.26 -5.07 113.70 116.98 1c89 s SER 69 Ca 0.00 1.62 0.00 0.00 1.31 0.00 0.00 55.95 58.88 1c89 s SER 69 Cb 0.00 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1c89 s SER 69 CO 0.00 -0.04 0.00 -0.81 0.41 0.00 0.00 173.24 172.80 1c89 n PRO 70 N 0.54 2.57 0.00 12.44 -0.04 -1.26 -4.62 135.00 144.63 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 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 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 2.97 2.11 2.28 0.55 0.00 -1.26 -4.72 105.19 107.12 1c89 n GLY 71 Ca 0.00 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 6.37 -4.62 0.99 4.77 -1.26 -4.91 117.00 118.34 1c89 n LEU 72 Ca 0.00 -3.84 -0.43 0.00 -0.03 0.00 0.00 56.01 51.71 1c89 n LEU 72 Cb 0.00 -1.35 -0.02 0.00 -2.33 0.00 0.00 43.42 39.72 1c89 n LEU 72 CO 0.00 1.79 1.23 -0.54 -1.33 0.00 0.00 177.39 178.54 1c89 s LYS 73 N -0.24 3.74 0.35 3.23 1.02 -1.26 -4.16 119.74 122.42 1c89 s LYS 73 Ca 0.63 1.20 -0.11 0.00 0.02 0.00 0.00 55.97 57.70 1c89 s LYS 73 Cb 0.32 -3.98 -0.07 0.00 -0.52 0.00 0.00 37.83 33.58 1c89 s LYS 73 CO -0.11 -1.36 0.72 0.45 -0.92 0.00 0.00 175.35 174.13 1c89 s SER 74 N 3.61 6.61 0.14 2.83 0.15 0.16 -4.11 113.70 123.09 1c89 s SER 74 Ca 0.62 1.13 -0.31 0.00 0.70 0.00 0.00 55.95 58.09 1c89 s SER 74 Cb -0.17 -2.31 -0.08 0.00 -1.71 0.00 0.00 66.02 61.75 1c89 s SER 74 CO 0.28 -0.28 1.29 -0.69 1.20 0.00 0.00 173.24 175.05 1c89 s VAL 75 N -2.15 3.48 -0.03 4.45 1.01 -0.71 -0.04 120.40 126.40 1c89 s VAL 75 Ca 0.51 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.64 1c89 s VAL 75 Cb -0.10 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1c89 s VAL 75 CO 0.25 0.13 -0.07 -0.69 0.00 0.00 0.00 175.10 174.72 1c89 s VAL 76 N 0.63 0.66 -0.83 2.92 1.01 0.10 -1.18 120.40 123.71 1c89 s VAL 76 Ca 0.59 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 62.07 1c89 s VAL 76 Cb -0.34 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.44 1c89 s VAL 76 CO 0.33 0.23 1.48 0.00 0.00 0.00 0.00 175.10 177.14 1c89 s ALA 77 N 0.49 2.55 0.48 5.51 0.00 0.77 0.03 121.76 131.59 1c89 s ALA 77 Ca -0.07 -1.57 0.14 0.00 0.00 0.00 0.00 51.96 50.46 1c89 s ALA 77 Cb -0.11 -4.38 1.15 0.00 0.00 0.00 0.00 23.12 19.78 1c89 s ALA 77 CO 0.01 -3.64 2.09 -0.97 0.00 0.00 0.00 175.76 173.25 1c89 h ASN 78 N 10.77 0.17 -3.35 0.00 -1.24 -1.70 -1.64 115.58 118.59 1c89 h ASN 78 Ca -0.08 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.92 1c89 h ASN 78 Cb 1.05 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 40.06 1c89 h ASN 78 CO 1.31 0.12 0.00 0.00 -1.29 0.00 0.00 177.43 177.57 1c89 n GLN 79 N -4.50 1.65 -3.82 6.67 6.02 -1.25 -3.29 117.38 118.86 1c89 n GLN 79 Ca 0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.65 1c89 n GLN 79 Cb 0.18 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.34 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 3.99 -0.11 1.08 0.20 -1.26 -3.77 118.68 118.81 1c89 s LEU 80 Ca 0.00 0.11 0.03 0.00 0.69 0.00 0.00 54.13 54.97 1c89 s LEU 80 Cb 0.00 -2.04 0.01 0.00 -0.43 0.00 0.00 46.19 43.73 1c89 s LEU 80 CO 0.00 0.13 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.34 1c89 s ILE 81 N 0.63 1.98 0.69 6.68 1.01 -0.68 -4.97 121.20 126.53 1c89 s ILE 81 Ca 0.06 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.63 1c89 s ILE 81 Cb -0.12 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.63 1c89 s ILE 81 CO 0.01 0.54 1.07 -2.16 0.00 0.00 0.00 174.94 174.40 1c89 s PRO 82 N 0.57 2.82 0.23 2.79 0.04 -1.26 -0.21 135.00 139.97 1c89 s PRO 82 Ca -0.14 1.12 -0.31 0.00 0.04 0.00 0.00 61.00 61.71 1c89 s PRO 82 Cb -0.17 -1.97 -0.14 0.00 0.04 0.00 0.00 34.50 32.26 1c89 s PRO 82 CO 0.04 -1.21 1.25 -0.89 0.04 0.00 0.00 177.00 176.24 1c89 n ILE 83 N -2.91 1.16 -2.76 0.56 5.41 -1.25 -3.41 119.36 116.16 1c89 n ILE 83 Ca 0.09 -0.29 -0.02 0.00 1.00 0.00 0.00 62.75 63.53 1c89 n ILE 83 Cb 0.53 -1.19 0.00 0.00 -0.71 0.00 0.00 39.64 38.27 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 1.87 -6.93 -3.59 4.38 2.85 -0.03 -4.91 115.26 108.90 1c89 n ASN 84 Ca 0.12 0.09 -0.19 0.00 -0.11 0.00 0.00 54.58 54.49 1c89 n ASN 84 Cb 0.29 -4.66 -0.15 0.00 1.24 0.00 0.00 39.78 36.51 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 -2.82 -0.26 -0.83 -0.44 2.01 -1.22 -4.77 115.64 107.32 1c89 s THR 85 Ca 0.06 0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.92 1c89 s THR 85 Cb -0.02 -0.50 -0.18 0.00 0.01 0.00 0.00 72.50 71.81 1c89 s THR 85 CO 0.64 -0.07 2.03 0.00 -0.69 0.00 0.00 174.62 176.52 1c89 n ALA 86 N 5.32 0.36 -1.76 7.40 0.00 -1.21 -4.17 120.51 126.44 1c89 n ALA 86 Ca -0.05 -1.68 -0.39 0.00 0.00 0.00 0.00 53.44 51.31 1c89 n ALA 86 Cb 0.50 -2.80 -0.05 0.00 0.00 0.00 0.00 19.45 17.09 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 12.52 4.47 0.00 0.00 2.34 -0.30 -4.50 118.68 133.20 1c89 s LEU 87 Ca 0.77 2.04 0.00 0.00 0.06 0.00 0.00 54.13 57.00 1c89 s LEU 87 Cb -0.14 -3.80 0.00 0.00 -0.56 0.00 0.00 46.19 41.70 1c89 s LEU 87 CO 0.16 -0.09 0.01 0.35 -1.06 0.00 0.00 176.35 175.72 1c89 n THR 88 N 0.93 0.00 0.08 5.48 -2.24 -1.26 0.23 114.28 117.50 1c89 n THR 88 Ca 0.00 -1.64 0.12 0.00 -2.27 0.00 0.00 64.05 60.27 1c89 n THR 88 Cb 0.47 0.31 0.61 0.00 -2.10 0.00 0.00 70.33 69.62 1c89 n THR 88 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1c89 h LEU 89 N 0.00 0.12 -0.24 3.22 -0.00 -1.96 0.68 115.31 117.13 1c89 h LEU 89 Ca -0.29 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.63 1c89 h LEU 89 Cb 0.87 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.48 1c89 h LEU 89 CO 0.48 0.08 0.04 1.62 -0.00 0.00 0.00 178.44 180.65 1c89 h VAL 90 N 0.14 0.88 0.00 0.15 3.04 -2.01 -1.51 116.25 116.93 1c89 h VAL 90 Ca 0.15 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 1c89 h VAL 90 Cb 0.44 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 30.45 1c89 h VAL 90 CO -0.02 0.02 -0.32 0.23 -1.01 0.00 0.00 177.57 176.47 1c89 n MET 91 N -5.10 0.01 -3.83 4.17 2.81 -0.89 -4.81 117.12 109.49 1c89 n MET 91 Ca -0.01 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.52 1c89 n MET 91 Cb 0.11 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.04 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 -3.00 3.90 -0.24 0.03 -2.45 0.18 -2.28 119.30 115.44 1c89 s MET 92 Ca 0.12 -0.21 -0.01 0.00 -1.25 0.00 0.00 55.69 54.33 1c89 s MET 92 Cb 0.18 -3.31 0.07 0.00 1.25 0.00 0.00 34.83 33.02 1c89 s MET 92 CO 0.64 0.45 0.03 0.15 1.05 0.00 0.00 175.02 177.34 1c89 s LYS 93 N -0.09 0.92 -0.65 4.11 1.02 0.10 -4.69 119.74 120.46 1c89 s LYS 93 Ca 0.10 -0.75 -0.26 0.00 0.02 0.00 0.00 55.97 55.08 1c89 s LYS 93 Cb -0.11 -2.21 0.04 0.00 -0.52 0.00 0.00 37.83 35.02 1c89 s LYS 93 CO 0.00 -0.73 1.14 0.00 -0.92 0.00 0.00 175.35 174.85 1c89 s ALA 94 N 1.67 2.95 0.12 5.17 0.00 -1.26 0.02 121.76 130.44 1c89 s ALA 94 Ca 0.01 -1.28 0.09 0.00 0.00 0.00 0.00 51.96 50.79 1c89 s ALA 94 Cb -0.18 -4.04 -0.04 0.00 0.00 0.00 0.00 23.12 18.87 1c89 s ALA 94 CO -0.12 -2.87 -0.23 -1.21 0.00 0.00 0.00 175.76 171.34 1c89 s GLU 95 N 4.91 1.26 -0.64 0.00 0.41 0.94 -4.62 118.70 120.95 1c89 s GLU 95 Ca 0.34 -1.28 -0.26 0.00 -0.41 0.00 0.00 54.97 53.36 1c89 s GLU 95 Cb -0.10 -1.57 -0.03 0.00 -1.78 0.00 0.00 34.13 30.65 1c89 s GLU 95 CO 0.18 0.36 1.89 -2.00 -0.49 0.00 0.00 175.26 175.20 1c89 s GLU 96 N -2.11 2.59 0.08 1.61 -6.30 -1.26 0.39 118.70 113.70 1c89 s GLU 96 Ca 0.11 0.53 0.04 0.00 -2.50 0.00 0.00 54.97 53.16 1c89 s GLU 96 Cb -0.09 -4.47 -0.03 0.00 0.00 0.00 0.00 34.13 29.53 1c89 s GLU 96 CO 0.05 -2.84 -0.12 0.08 0.02 0.00 0.00 175.26 172.46 1c89 s VAL 97 N 9.34 1.01 -0.02 3.70 1.01 -1.26 -4.81 120.40 129.37 1c89 s VAL 97 Ca 0.69 -1.42 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1c89 s VAL 97 Cb -0.12 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1c89 s VAL 97 CO 0.18 -0.37 -0.05 -0.44 0.00 0.00 0.00 175.10 174.43 1c89 s SER 98 N -2.01 4.78 0.99 3.32 0.01 -1.26 -3.55 113.70 115.99 1c89 s SER 98 Ca 0.00 -0.07 -0.15 0.00 1.31 0.00 0.00 55.95 57.05 1c89 s SER 98 Cb -0.07 -1.18 0.19 0.00 0.21 0.00 0.00 66.02 65.16 1c89 s SER 98 CO 0.01 0.31 1.18 -2.16 0.41 0.00 0.00 173.24 172.99 1c89 s PRO 99 N -1.28 0.45 -0.63 12.44 0.04 -1.26 -5.06 135.00 139.70 1c89 s PRO 99 Ca 0.16 0.01 -0.24 0.00 0.04 0.00 0.00 61.00 60.97 1c89 s PRO 99 Cb -0.11 -1.79 0.05 0.00 0.04 0.00 0.00 34.50 32.70 1c89 s PRO 99 CO 0.06 -2.61 1.01 0.15 0.04 0.00 0.00 177.00 175.65 1c89 s LYS 100 N -5.49 3.20 0.00 4.56 3.01 -1.23 -4.97 119.74 118.83 1c89 s LYS 100 Ca 0.68 -0.53 0.00 0.00 -1.01 0.00 0.00 55.97 55.11 1c89 s LYS 100 Cb -0.10 -4.16 0.00 0.00 -1.01 0.00 0.00 37.83 32.56 1c89 s LYS 100 CO 0.54 -1.75 0.00 0.41 0.51 0.00 0.00 175.35 175.06 1c89 n GLY 101 N 5.26 -0.26 3.29 -3.33 0.00 -1.26 -4.88 105.19 104.00 1c89 n GLY 101 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 2.98 0.47 -0.61 1.01 0.40 -4.74 121.20 120.71 1c89 s ILE 102 Ca 0.00 -0.65 -0.22 0.00 0.00 0.00 0.00 60.65 59.78 1c89 s ILE 102 Cb 0.00 -2.30 -0.08 0.00 0.01 0.00 0.00 42.46 40.09 1c89 s ILE 102 CO 0.00 0.48 1.10 -2.16 0.00 0.00 0.00 174.94 174.37 1c89 s PRO 103 N 1.02 3.78 -0.63 2.79 0.04 -1.26 -1.74 135.00 138.99 1c89 s PRO 103 Ca -0.01 1.58 -0.06 0.00 0.04 0.00 0.00 61.00 62.55 1c89 s PRO 103 Cb -0.15 -2.28 -0.10 0.00 0.04 0.00 0.00 34.50 32.01 1c89 s PRO 103 CO -0.02 -0.49 3.12 0.43 0.04 0.00 0.00 177.00 180.09 1c89 n SER 104 N -0.67 6.67 0.07 6.66 7.64 -1.26 -4.44 113.62 128.29 1c89 n SER 104 Ca 0.08 -2.76 -0.10 0.00 1.01 0.00 0.00 58.87 57.10 1c89 n SER 104 Cb 0.50 -1.40 -0.13 0.00 -1.01 0.00 0.00 64.21 62.17 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 3.64 0.10 -0.80 1.43 4.11 -1.94 -3.33 114.58 117.79 1c89 h GLU 105 Ca 0.45 -0.17 -0.58 0.00 0.07 0.00 0.00 59.36 59.14 1c89 h GLU 105 Cb 0.90 0.06 -0.40 0.00 0.50 0.00 0.00 28.75 29.82 1c89 h GLU 105 CO 0.88 1.06 -0.47 0.39 0.07 0.00 0.00 179.01 180.94 1c89 n GLU 106 N -3.40 3.42 -0.24 1.06 -0.58 -1.26 -4.80 120.64 114.84 1c89 n GLU 106 Ca -0.04 -3.99 0.02 0.00 -0.42 0.00 0.00 57.16 52.73 1c89 n GLU 106 Cb 0.98 -2.28 0.14 0.00 -0.57 0.00 0.00 31.44 29.71 1c89 n GLU 106 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1c89 h ILE 107 N 1.93 0.78 0.00 -3.67 2.10 -1.90 0.27 117.51 117.02 1c89 h ILE 107 Ca 0.42 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 66.19 1c89 h ILE 107 Cb 1.39 0.22 0.00 0.00 -1.09 0.00 0.00 36.82 37.34 1c89 h ILE 107 CO 0.93 0.09 0.07 0.28 -1.08 0.00 0.00 178.15 178.45 1c89 h SER 108 N 0.51 0.00 0.26 2.19 0.02 -1.92 1.54 113.55 116.15 1c89 h SER 108 Ca 0.35 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 61.04 1c89 h SER 108 Cb 0.44 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 1c89 h SER 108 CO -0.31 0.00 -1.98 0.29 -1.14 0.00 0.00 176.83 173.69 1c89 n LYS 109 N -2.58 0.66 0.00 3.45 4.76 0.90 -4.39 118.16 120.96 1c89 n LYS 109 Ca -0.02 0.09 0.04 0.00 -2.87 0.00 0.00 58.31 55.55 1c89 n LYS 109 Cb 0.12 -1.64 0.03 0.00 -1.84 0.00 0.00 35.03 31.69 1c89 n LYS 109 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1c89 n LEU 110 N -2.79 1.54 -4.65 -0.35 4.77 -0.37 -4.96 117.00 110.18 1c89 n LEU 110 Ca -0.21 -0.94 -0.47 0.00 -0.03 0.00 0.00 56.01 54.36 1c89 n LEU 110 Cb 1.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 42.05 1c89 n LEU 110 CO 0.44 0.31 1.10 0.52 -1.33 0.00 0.00 177.39 178.43 1c89 n VAL 111 N 0.28 0.15 -2.72 4.08 0.31 0.51 -0.96 118.33 119.99 1c89 n VAL 111 Ca 0.04 -0.04 -0.16 0.00 -0.01 0.00 0.00 64.34 64.18 1c89 n VAL 111 Cb 0.20 -1.38 0.02 0.00 -0.91 0.00 0.00 33.84 31.77 1c89 n VAL 111 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c89 n GLY 112 N 3.05 -0.18 3.92 2.92 0.00 0.61 -4.92 105.19 110.59 1c89 n GLY 112 Ca 0.16 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -5.26 3.54 -0.10 1.61 0.00 -0.13 -4.32 119.30 114.65 1c89 s MET 113 Ca 0.18 -0.16 -0.12 0.00 0.00 0.00 0.00 55.69 55.59 1c89 s MET 113 Cb -0.08 -2.63 -0.05 0.00 0.00 0.00 0.00 34.83 32.07 1c89 s MET 113 CO 0.22 0.14 0.29 -0.65 0.00 0.00 0.00 175.02 175.02 1c89 s GLN 114 N -4.06 3.92 0.59 3.16 -0.21 -1.26 -1.15 119.66 120.65 1c89 s GLN 114 Ca 0.42 0.13 -0.04 0.00 0.02 0.00 0.00 55.36 55.89 1c89 s GLN 114 Cb -0.10 -3.29 0.02 0.00 1.00 0.00 0.00 33.01 30.63 1c89 s GLN 114 CO 0.35 0.53 0.88 0.14 -2.12 0.00 0.00 175.29 175.07 1c89 s VAL 115 N -0.44 3.35 -0.84 1.09 -7.23 -1.26 -4.74 120.40 110.33 1c89 s VAL 115 Ca 0.18 -0.19 0.21 0.00 -1.81 0.00 0.00 61.98 60.37 1c89 s VAL 115 Cb -0.14 -3.33 -0.24 0.00 0.56 0.00 0.00 36.38 33.23 1c89 s VAL 115 CO 0.07 -0.31 0.82 0.59 -0.31 0.00 0.00 175.10 175.96 1c89 n ASN 116 N -2.55 0.85 -4.46 4.85 4.13 -1.26 -0.85 115.26 115.96 1c89 n ASN 116 Ca 0.05 -0.84 -0.29 0.00 1.68 0.00 0.00 54.58 55.18 1c89 n ASN 116 Cb 0.58 1.15 -0.08 0.00 -1.54 0.00 0.00 39.78 39.89 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1c89 s ARG 117 N -3.05 2.02 0.31 3.52 1.81 -1.26 -4.74 118.95 117.56 1c89 s ARG 117 Ca 0.05 -2.24 -0.19 0.00 -1.72 0.00 0.00 55.73 51.64 1c89 s ARG 117 Cb 0.15 -1.11 -0.09 0.00 -0.45 0.00 0.00 34.95 33.45 1c89 s ARG 117 CO 0.86 -0.37 0.79 0.00 -0.68 0.00 0.00 175.30 175.91 1c89 s ALA 118 N -3.03 3.29 -0.06 2.13 0.00 -1.26 -3.82 121.76 119.01 1c89 s ALA 118 Ca 0.18 0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.38 1c89 s ALA 118 Cb 0.03 -2.89 -0.00 0.00 0.00 0.00 0.00 23.12 20.26 1c89 s ALA 118 CO 0.10 0.28 -0.22 0.08 0.00 0.00 0.00 175.76 176.00 1c89 s VAL 119 N -1.84 1.82 0.00 0.00 1.01 0.71 -4.88 120.40 117.22 1c89 s VAL 119 Ca 0.52 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1c89 s VAL 119 Cb -0.13 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1c89 s VAL 119 CO 0.18 0.51 0.00 -1.22 0.00 0.00 0.00 175.10 174.57 1c89 n TYR 120 N 3.18 -1.19 0.00 5.22 4.01 -1.26 -1.68 117.16 125.43 1c89 n TYR 120 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 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 -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 -1.25 -4.00 117.00 115.08 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 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 1c89 n LEU 121 CO 0.00 0.00 1.64 0.47 -0.00 0.00 0.00 177.39 179.50 1c89 n ASP 122 N 0.00 -0.93 -4.36 1.96 9.92 -0.66 -4.57 116.55 117.90 1c89 n ASP 122 Ca 0.00 -1.02 -0.31 0.00 -0.53 0.00 0.00 54.79 52.93 1c89 n ASP 122 Cb 0.00 -0.80 -0.15 0.00 -0.64 0.00 0.00 41.12 39.54 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 6.92 2.11 -0.06 -1.24 0.74 -0.92 -4.52 119.66 122.70 1c89 s GLN 123 Ca 0.92 -0.93 -0.30 0.00 0.05 0.00 0.00 55.36 55.10 1c89 s GLN 123 Cb -0.49 -2.10 -0.02 0.00 1.10 0.00 0.00 33.01 31.49 1c89 s GLN 123 CO 0.34 0.56 1.05 0.99 -0.55 0.00 0.00 175.29 177.67 1c89 s THR 124 N -0.71 4.67 -0.03 -0.34 2.01 -1.26 -0.16 115.64 119.81 1c89 s THR 124 Ca 0.11 1.93 -0.30 0.00 0.31 0.00 0.00 61.69 63.74 1c89 s THR 124 Cb -0.10 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 1c89 s THR 124 CO 0.01 0.05 1.07 -0.22 -0.69 0.00 0.00 174.62 174.84 1c89 s LEU 125 N 1.71 4.31 0.27 4.42 2.96 -0.33 -4.94 118.68 127.09 1c89 s LEU 125 Ca 0.51 1.71 0.06 0.00 -0.22 0.00 0.00 54.13 56.19 1c89 s LEU 125 Cb -0.21 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.86 1c89 s LEU 125 CO 0.22 -0.42 -0.04 -0.04 -1.32 0.00 0.00 176.35 174.75 1c89 s MET 126 N 1.58 1.51 0.47 1.98 -1.94 -1.26 -0.46 119.30 121.18 1c89 s MET 126 Ca 0.53 -1.77 0.26 0.00 -1.71 0.00 0.00 55.69 53.00 1c89 s MET 126 Cb -0.22 -1.04 0.95 0.00 2.01 0.00 0.00 34.83 36.53 1c89 s MET 126 CO 0.24 0.00 1.83 -1.00 -0.01 0.00 0.00 175.02 176.08 1c89 h PRO 127 N 2.31 0.00 -0.13 2.03 0.13 -1.91 -2.68 132.00 131.76 1c89 h PRO 127 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 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 0.67 0.14 0.00 -0.40 -0.23 0.00 0.00 178.00 178.18 1c89 n ASP 128 N -3.25 1.22 -0.12 1.44 5.75 -1.26 -4.11 116.55 116.21 1c89 n ASP 128 Ca 0.01 -1.65 -0.24 0.00 -0.01 0.00 0.00 54.79 52.90 1c89 n ASP 128 Cb 0.42 -0.08 -0.08 0.00 -1.03 0.00 0.00 41.12 40.35 1c89 n ASP 128 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1c89 n MET 129 N 0.03 0.56 -3.17 0.11 1.56 -1.01 -4.91 117.12 110.29 1c89 n MET 129 Ca 0.15 0.24 -0.40 0.00 -0.27 0.00 0.00 57.70 57.43 1c89 n MET 129 Cb 0.26 -1.45 -0.06 0.00 2.15 0.00 0.00 33.22 34.11 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 -2.60 5.06 -1.48 1.12 1.01 -1.23 -4.28 120.40 117.99 1c89 s VAL 130 Ca -0.36 1.10 0.27 0.00 0.00 0.00 0.00 61.98 63.00 1c89 s VAL 130 Cb 0.12 -3.91 0.51 0.00 0.00 0.00 0.00 36.38 33.10 1c89 s VAL 130 CO 0.46 0.14 1.94 0.29 0.00 0.00 0.00 175.10 177.94 1c89 n LYS 131 N 4.89 0.44 -1.16 2.72 4.76 -1.26 -3.20 118.16 125.35 1c89 n LYS 131 Ca -0.03 0.03 -0.20 0.00 -2.87 0.00 0.00 58.31 55.24 1c89 n LYS 131 Cb 0.50 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 32.38 1c89 n LYS 131 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1c89 n ASN 132 N -1.26 3.61 -4.64 4.39 3.02 -1.26 -5.00 115.26 114.12 1c89 n ASN 132 Ca 0.14 -3.62 -0.29 0.00 -0.03 0.00 0.00 54.58 50.78 1c89 n ASN 132 Cb 0.21 -0.80 0.18 0.00 -0.61 0.00 0.00 39.78 38.75 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1c89 s TYR 133 N -3.28 1.94 -1.92 3.10 5.04 -1.19 -5.13 117.35 115.91 1c89 s TYR 133 Ca 0.55 1.23 0.15 0.00 -2.44 0.00 0.00 57.07 56.57 1c89 s TYR 133 Cb 0.47 -3.19 0.12 0.00 0.35 0.00 0.00 41.96 39.71 1c89 s TYR 133 CO 0.09 -2.94 0.99 0.39 -1.34 0.00 0.00 175.55 172.74