#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 1.77 0.22 1.20 -0.14 -1.26 -5.02 119.74 116.51 1c89 s LYS 2 Ca 0.00 -0.90 -0.30 0.00 -1.36 0.00 0.00 55.97 53.41 1c89 s LYS 2 Cb 0.00 -2.29 -0.09 0.00 -1.68 0.00 0.00 37.83 33.77 1c89 s LYS 2 CO 0.00 -1.41 1.16 0.00 -0.76 0.00 0.00 175.35 174.34 1c89 s ALA 3 N -3.17 3.42 0.15 5.17 0.00 -1.26 -4.66 121.76 121.41 1c89 s ALA 3 Ca 0.65 0.93 0.03 0.00 0.00 0.00 0.00 51.96 53.57 1c89 s ALA 3 Cb -0.07 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1c89 s ALA 3 CO 0.44 -0.30 0.21 -1.12 0.00 0.00 0.00 175.76 175.00 1c89 s SER 4 N -0.24 5.98 -0.57 0.00 0.01 -0.39 -3.61 113.70 114.88 1c89 s SER 4 Ca 0.50 0.05 -0.25 0.00 1.31 0.00 0.00 55.95 57.55 1c89 s SER 4 Cb -0.32 -1.71 0.04 0.00 0.21 0.00 0.00 66.02 64.24 1c89 s SER 4 CO 0.39 0.07 1.02 -0.69 0.41 0.00 0.00 173.24 174.44 1c89 s VAL 5 N -1.72 4.26 -0.15 3.43 1.01 -1.01 -2.59 120.40 123.63 1c89 s VAL 5 Ca 0.33 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.74 1c89 s VAL 5 Cb -0.11 -4.62 0.01 0.00 0.00 0.00 0.00 36.38 31.67 1c89 s VAL 5 CO 0.26 -1.23 -0.21 -0.69 0.00 0.00 0.00 175.10 173.23 1c89 s VAL 6 N 4.30 2.13 0.22 2.92 1.01 -0.62 -1.36 120.40 129.01 1c89 s VAL 6 Ca 0.33 -0.95 -0.32 0.00 0.00 0.00 0.00 61.98 61.05 1c89 s VAL 6 Cb -0.11 -1.86 -0.13 0.00 0.00 0.00 0.00 36.38 34.27 1c89 s VAL 6 CO 0.20 0.54 1.53 0.00 0.00 0.00 0.00 175.10 177.38 1c89 n ALA 7 N 4.17 1.65 0.02 5.51 0.00 -0.46 -1.40 120.51 130.00 1c89 n ALA 7 Ca -0.20 0.41 -0.20 0.00 0.00 0.00 0.00 53.44 53.45 1c89 n ALA 7 Cb 0.51 -2.36 -0.14 0.00 0.00 0.00 0.00 19.45 17.46 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 5.16 0.40 -4.93 0.00 -0.73 -1.80 0.11 115.58 113.79 1c89 h ASN 8 Ca -0.45 -0.90 -0.34 0.00 1.87 0.00 0.00 56.30 56.48 1c89 h ASN 8 Cb 1.25 -0.13 0.06 0.00 0.27 0.00 0.00 38.32 39.78 1c89 h ASN 8 CO 0.83 1.48 0.09 0.00 -0.37 0.00 0.00 177.43 179.46 1c89 n GLN 9 N -4.07 0.06 -3.19 6.67 10.64 -1.26 -3.26 117.38 122.96 1c89 n GLN 9 Ca -0.19 -2.01 -0.39 0.00 -1.83 0.00 0.00 57.00 52.58 1c89 n GLN 9 Cb 0.84 -0.50 -0.06 0.00 -0.86 0.00 0.00 30.24 29.66 1c89 n GLN 9 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1c89 s LEU 10 N 0.00 4.27 -0.12 2.61 0.20 -1.26 -4.06 118.68 120.31 1c89 s LEU 10 Ca 0.49 0.94 -0.01 0.00 0.69 0.00 0.00 54.13 56.25 1c89 s LEU 10 Cb -0.03 -2.86 -0.02 0.00 -0.43 0.00 0.00 46.19 42.85 1c89 s LEU 10 CO 0.33 -0.09 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.58 1c89 s ILE 11 N 0.91 3.47 0.00 6.68 -1.09 0.24 -4.95 121.20 126.47 1c89 s ILE 11 Ca 0.30 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.20 1c89 s ILE 11 Cb -0.16 -2.46 0.00 0.00 -1.58 0.00 0.00 42.46 38.26 1c89 s ILE 11 CO 0.13 0.54 0.00 -0.81 -1.23 0.00 0.00 174.94 173.57 1c89 n PRO 12 N 3.11 0.79 -2.51 2.79 -0.04 -1.26 0.18 135.00 138.05 1c89 n PRO 12 Ca -0.18 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.01 1c89 n PRO 12 Cb 0.53 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.00 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 -0.14 4.23 -0.96 0.52 1.09 -1.26 -3.89 121.20 120.79 1c89 s ILE 13 Ca 0.00 0.08 -0.20 0.00 -1.10 0.00 0.00 60.65 59.43 1c89 s ILE 13 Cb 0.00 -3.64 0.03 0.00 -1.06 0.00 0.00 42.46 37.79 1c89 s ILE 13 CO 0.00 -0.64 0.58 -0.46 -0.10 0.00 0.00 174.94 174.32 1c89 n ASN 14 N -2.42 -3.90 -3.83 3.58 0.23 -0.83 -4.85 115.26 103.23 1c89 n ASN 14 Ca 0.03 -1.07 -0.20 0.00 -0.53 0.00 0.00 54.58 52.81 1c89 n ASN 14 Cb 0.56 -1.42 -0.17 0.00 -2.08 0.00 0.00 39.78 36.68 1c89 n ASN 14 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1c89 s THR 15 N -3.38 0.36 -0.07 5.53 2.01 -1.26 -4.85 115.64 113.98 1c89 s THR 15 Ca 0.28 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 1c89 s THR 15 Cb -0.16 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 1c89 s THR 15 CO 0.85 0.21 1.20 0.00 -0.69 0.00 0.00 174.62 176.19 1c89 s ALA 16 N 1.26 3.51 0.56 7.40 0.00 -1.23 -3.88 121.76 129.38 1c89 s ALA 16 Ca -0.06 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 52.32 1c89 s ALA 16 Cb -0.13 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 1c89 s ALA 16 CO -0.02 -0.80 1.06 -0.51 0.00 0.00 0.00 175.76 175.49 1c89 s LEU 17 N 2.34 3.62 0.46 0.00 1.43 -0.97 -4.61 118.68 120.95 1c89 s LEU 17 Ca 0.55 1.91 0.04 0.00 -1.03 0.00 0.00 54.13 55.60 1c89 s LEU 17 Cb -0.24 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.39 1c89 s LEU 17 CO 0.21 -1.09 0.01 0.42 0.23 0.00 0.00 176.35 176.13 1c89 s THR 18 N -2.22 1.52 0.37 5.49 -4.23 -1.26 0.26 115.64 115.56 1c89 s THR 18 Ca 0.66 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.22 1c89 s THR 18 Cb -0.17 -2.55 0.21 0.00 1.34 0.00 0.00 72.50 71.33 1c89 s THR 18 CO 0.31 0.00 1.96 -0.07 -0.54 0.00 0.00 174.62 176.28 1c89 h LEU 19 N 1.56 0.51 -0.55 4.79 -0.00 -1.97 -1.73 115.31 117.92 1c89 h LEU 19 Ca -0.44 -0.05 -0.15 0.00 -0.00 0.00 0.00 57.88 57.24 1c89 h LEU 19 Cb 1.28 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.80 1c89 h LEU 19 CO 0.77 0.47 -0.49 0.40 -0.00 0.00 0.00 178.44 179.58 1c89 h ILE 20 N 0.56 1.31 -0.26 1.22 5.03 -2.03 -2.75 117.51 120.59 1c89 h ILE 20 Ca 0.14 -1.71 0.00 0.00 -0.12 0.00 0.00 64.86 63.17 1c89 h ILE 20 Cb 0.12 1.67 0.00 0.00 -3.03 0.00 0.00 36.82 35.58 1c89 h ILE 20 CO -0.01 0.54 0.00 0.23 -0.68 0.00 0.00 178.15 178.22 1c89 n MET 21 N -3.99 1.63 -3.96 2.37 2.81 -0.87 -4.76 117.12 110.35 1c89 n MET 21 Ca -0.03 -0.98 -0.35 0.00 -1.81 0.00 0.00 57.70 54.54 1c89 n MET 21 Cb 0.57 -1.23 -0.14 0.00 -0.71 0.00 0.00 33.22 31.71 1c89 n MET 21 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1c89 s MET 22 N -1.65 3.14 -0.31 0.03 0.00 -0.71 -2.49 119.30 117.32 1c89 s MET 22 Ca 0.20 -0.77 -0.05 0.00 0.00 0.00 0.00 55.69 55.07 1c89 s MET 22 Cb 0.10 -2.93 0.03 0.00 0.00 0.00 0.00 34.83 32.03 1c89 s MET 22 CO 0.14 -0.26 0.06 0.15 0.00 0.00 0.00 175.02 175.10 1c89 s LYS 23 N 1.40 2.68 -1.36 4.11 1.02 -0.49 -4.88 119.74 122.21 1c89 s LYS 23 Ca 0.04 -1.12 -0.13 0.00 0.02 0.00 0.00 55.97 54.78 1c89 s LYS 23 Cb -0.15 -3.34 0.09 0.00 -0.52 0.00 0.00 37.83 33.92 1c89 s LYS 23 CO -0.05 -0.59 1.99 0.00 -0.92 0.00 0.00 175.35 175.77 1c89 n ALA 24 N 4.77 5.05 -2.83 5.17 0.00 -1.26 -1.59 120.51 129.82 1c89 n ALA 24 Ca -0.13 -4.03 -0.32 0.00 0.00 0.00 0.00 53.44 48.95 1c89 n ALA 24 Cb 0.45 -3.35 -0.06 0.00 0.00 0.00 0.00 19.45 16.49 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 2.42 3.17 -1.27 0.00 2.12 -1.07 -4.66 118.70 119.41 1c89 s GLU 25 Ca 0.46 -0.47 -0.11 0.00 0.36 0.00 0.00 54.97 55.20 1c89 s GLU 25 Cb 0.10 -2.92 0.16 0.00 0.26 0.00 0.00 34.13 31.73 1c89 s GLU 25 CO -0.03 0.64 1.77 0.28 -0.54 0.00 0.00 175.26 177.38 1c89 n VAL 26 N 0.92 4.26 -4.28 3.70 0.31 -1.26 -1.26 118.33 120.72 1c89 n VAL 26 Ca -0.11 -4.40 -0.20 0.00 -0.01 0.00 0.00 64.34 59.62 1c89 n VAL 26 Cb 0.52 -2.40 -0.08 0.00 -0.91 0.00 0.00 33.84 30.98 1c89 n VAL 26 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1c89 n VAL 27 N 3.87 0.00 -3.32 2.52 0.24 -1.26 -4.96 118.33 115.42 1c89 n VAL 27 Ca 0.40 -2.44 -0.19 0.00 -2.04 0.00 0.00 64.34 60.07 1c89 n VAL 27 Cb 0.38 1.23 0.00 0.00 -1.47 0.00 0.00 33.84 33.98 1c89 n VAL 27 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1c89 s THR 28 N -3.35 3.78 0.50 3.34 -4.23 -1.26 -4.19 115.64 110.23 1c89 s THR 28 Ca 0.40 -0.97 -0.20 0.00 -1.18 0.00 0.00 61.69 59.74 1c89 s THR 28 Cb 0.02 -3.30 -0.08 0.00 1.34 0.00 0.00 72.50 70.48 1c89 s THR 28 CO 0.28 -0.12 1.05 -2.16 -0.54 0.00 0.00 174.62 173.14 1c89 s PRO 29 N -4.24 3.71 0.84 3.99 0.04 -1.26 -5.02 135.00 133.05 1c89 s PRO 29 Ca 0.48 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 1c89 s PRO 29 Cb -0.10 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.46 1c89 s PRO 29 CO 0.32 -0.51 1.09 0.00 0.04 0.00 0.00 177.00 177.94 1c89 s MET 30 N -3.27 1.75 0.00 4.56 0.23 -1.26 -4.82 119.30 116.49 1c89 s MET 30 Ca 0.68 0.94 0.00 0.00 -1.03 0.00 0.00 55.69 56.28 1c89 s MET 30 Cb -0.18 -1.86 0.00 0.00 -1.53 0.00 0.00 34.83 31.27 1c89 s MET 30 CO 0.22 -1.93 0.00 0.41 -2.03 0.00 0.00 175.02 171.69 1c89 n GLY 31 N -1.27 2.07 3.73 3.16 0.00 -1.26 -4.91 105.19 106.70 1c89 n GLY 31 Ca 0.08 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 0.99 4.55 1.02 -0.61 1.01 -0.97 -4.97 121.20 122.23 1c89 s ILE 32 Ca 0.00 2.02 -0.14 0.00 0.00 0.00 0.00 60.65 62.52 1c89 s ILE 32 Cb 0.00 -4.30 0.20 0.00 0.01 0.00 0.00 42.46 38.37 1c89 s ILE 32 CO 0.00 0.31 1.13 -2.16 0.00 0.00 0.00 174.94 174.23 1c89 s PRO 33 N 0.06 0.23 -0.03 2.79 0.04 -1.26 -2.40 135.00 134.44 1c89 s PRO 33 Ca 0.46 0.19 0.05 0.00 0.04 0.00 0.00 61.00 61.74 1c89 s PRO 33 Cb -0.23 -1.74 0.18 0.00 0.04 0.00 0.00 34.50 32.75 1c89 s PRO 33 CO 0.29 -2.79 0.97 0.00 0.04 0.00 0.00 177.00 175.50 1c89 n ALA 34 N -4.16 2.67 -0.02 8.56 0.00 -1.24 -4.43 120.51 121.88 1c89 n ALA 34 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1c89 n ALA 34 Cb 0.59 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1c89 n ALA 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1c89 n GLU 35 N 0.10 0.00 -1.22 0.00 4.07 -1.26 -2.47 120.64 119.86 1c89 n GLU 35 Ca 0.07 0.65 -0.24 0.00 -0.06 0.00 0.00 57.16 57.58 1c89 n GLU 35 Cb 0.33 -1.49 -0.10 0.00 -0.06 0.00 0.00 31.44 30.12 1c89 n GLU 35 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1c89 n GLU 36 N -2.29 2.77 0.15 5.31 1.02 -1.26 -4.55 120.64 121.79 1c89 n GLU 36 Ca 0.00 -1.70 0.01 0.00 -0.02 0.00 0.00 57.16 55.44 1c89 n GLU 36 Cb 0.00 -2.32 0.29 0.00 -0.02 0.00 0.00 31.44 29.40 1c89 n GLU 36 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1c89 h ILE 37 N 2.36 1.30 0.00 -3.67 6.09 -1.79 0.33 117.51 122.13 1c89 h ILE 37 Ca 0.47 -1.46 0.00 0.00 -1.37 0.00 0.00 64.86 62.50 1c89 h ILE 37 Cb 0.95 1.74 0.00 0.00 0.47 0.00 0.00 36.82 39.98 1c89 h ILE 37 CO 0.89 0.42 0.00 -0.81 -3.07 0.00 0.00 178.15 175.58 1c89 n PRO 38 N -4.04 0.24 -0.10 2.19 -0.04 -1.26 -1.94 135.00 130.05 1c89 n PRO 38 Ca -0.02 0.25 -0.15 0.00 -0.04 0.00 0.00 63.50 63.55 1c89 n PRO 38 Cb 0.45 -1.81 -0.09 0.00 -0.04 0.00 0.00 33.50 32.02 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 -2.23 2.37 0.19 3.54 3.02 -0.95 -4.50 115.26 116.70 1c89 n ASN 39 Ca 0.05 -0.07 0.08 0.00 -0.03 0.00 0.00 54.58 54.61 1c89 n ASN 39 Cb 0.39 -0.34 0.25 0.00 -0.61 0.00 0.00 39.78 39.47 1c89 n ASN 39 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1c89 h LEU 40 N -0.08 0.00 -9.91 3.41 6.46 -0.47 -3.42 115.31 111.30 1c89 h LEU 40 Ca -0.45 0.00 -0.57 0.00 -0.12 0.00 0.00 57.88 56.75 1c89 h LEU 40 Cb 1.66 0.00 0.17 0.00 -0.73 0.00 0.00 40.66 41.75 1c89 h LEU 40 CO -0.10 0.28 0.20 0.52 -0.62 0.00 0.00 178.44 178.72 1c89 n VAL 41 N -3.27 3.90 -1.15 1.05 0.31 -0.82 -1.68 118.33 116.68 1c89 n VAL 41 Ca 0.02 -0.48 -0.05 0.00 -0.01 0.00 0.00 64.34 63.81 1c89 n VAL 41 Cb 0.56 -1.21 -0.02 0.00 -0.91 0.00 0.00 33.84 32.26 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 1.19 0.64 3.77 2.92 0.00 0.71 -4.79 105.19 109.63 1c89 n GLY 42 Ca 0.14 -0.13 -0.35 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 -2.03 3.23 -0.12 1.61 0.00 -0.67 -3.92 119.30 117.40 1c89 s MET 43 Ca 0.00 1.55 -0.07 0.00 0.00 0.00 0.00 55.69 57.17 1c89 s MET 43 Cb 0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 34.83 32.80 1c89 s MET 43 CO 0.00 -0.93 0.14 -0.65 0.00 0.00 0.00 175.02 173.57 1c89 s GLN 44 N -3.48 3.48 0.52 3.16 -0.21 -1.25 -2.29 119.66 119.59 1c89 s GLN 44 Ca 0.71 -0.14 -0.04 0.00 0.02 0.00 0.00 55.36 55.91 1c89 s GLN 44 Cb -0.23 -3.20 -0.01 0.00 1.00 0.00 0.00 33.01 30.58 1c89 s GLN 44 CO 0.30 0.75 0.80 0.14 -2.12 0.00 0.00 175.29 175.16 1c89 s VAL 45 N -0.94 4.09 -1.00 1.09 -7.23 -1.25 -4.34 120.40 110.82 1c89 s VAL 45 Ca 0.14 -0.09 0.23 0.00 -1.81 0.00 0.00 61.98 60.45 1c89 s VAL 45 Cb -0.12 -3.57 -0.12 0.00 0.56 0.00 0.00 36.38 33.13 1c89 s VAL 45 CO 0.04 -0.53 1.14 0.59 -0.31 0.00 0.00 175.10 176.03 1c89 n ASN 46 N -2.35 0.76 -2.64 4.85 5.03 -1.08 -1.96 115.26 117.88 1c89 n ASN 46 Ca 0.02 -0.65 -0.13 0.00 0.87 0.00 0.00 54.58 54.70 1c89 n ASN 46 Cb 0.57 0.65 -0.03 0.00 -1.02 0.00 0.00 39.78 39.94 1c89 n ASN 46 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 1c89 n ARG 47 N -1.50 0.51 -2.14 3.52 1.85 -1.26 -4.83 116.66 112.81 1c89 n ARG 47 Ca 0.05 -2.33 -0.41 0.00 -1.00 0.00 0.00 57.85 54.16 1c89 n ARG 47 Cb 0.33 2.16 -0.02 0.00 -1.05 0.00 0.00 32.46 33.88 1c89 n ARG 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1c89 s ALA 48 N -2.65 3.49 -0.20 2.89 0.00 -1.26 -4.02 121.76 120.01 1c89 s ALA 48 Ca 0.25 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1c89 s ALA 48 Cb -0.00 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1c89 s ALA 48 CO 0.18 -0.60 -0.15 0.08 0.00 0.00 0.00 175.76 175.27 1c89 s VAL 49 N -1.09 2.38 0.07 0.00 1.01 0.47 -4.95 120.40 118.30 1c89 s VAL 49 Ca 0.49 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1c89 s VAL 49 Cb -0.39 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1c89 s VAL 49 CO 0.52 0.44 0.08 -0.81 0.00 0.00 0.00 175.10 175.32 1c89 n PRO 50 N 4.64 -0.78 -2.80 2.72 -0.04 -1.26 0.82 135.00 138.30 1c89 n PRO 50 Ca -0.19 -0.12 -0.34 0.00 -0.04 0.00 0.00 63.50 62.80 1c89 n PRO 50 Cb 0.49 -0.10 -0.07 0.00 -0.04 0.00 0.00 33.50 33.78 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 4.03 -1.35 1.53 1.02 -1.26 -3.66 118.68 118.99 1c89 s LEU 51 Ca 0.05 1.73 -0.03 0.00 0.02 0.00 0.00 54.13 55.89 1c89 s LEU 51 Cb -0.00 -4.42 0.00 0.00 0.02 0.00 0.00 46.19 41.79 1c89 s LEU 51 CO 0.04 -0.31 0.46 0.61 0.02 0.00 0.00 176.35 177.17 1c89 n GLY 52 N -0.35 -0.35 3.57 -3.19 0.00 0.37 -4.93 105.19 100.31 1c89 n GLY 52 Ca 0.06 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.06 4.40 0.90 2.61 2.01 -1.08 -4.75 115.64 116.66 1c89 s THR 53 Ca 0.23 0.81 -0.10 0.00 0.31 0.00 0.00 61.69 62.93 1c89 s THR 53 Cb -0.10 -4.48 0.13 0.00 0.01 0.00 0.00 72.50 68.06 1c89 s THR 53 CO 0.28 -0.90 1.12 0.28 -0.69 0.00 0.00 174.62 174.71 1c89 s THR 54 N 3.94 2.44 -0.64 -0.82 -1.32 -1.26 -1.36 115.64 116.62 1c89 s THR 54 Ca 0.39 0.14 -0.27 0.00 -1.21 0.00 0.00 61.69 60.74 1c89 s THR 54 Cb -0.10 -2.32 -0.01 0.00 -1.51 0.00 0.00 72.50 68.56 1c89 s THR 54 CO 0.27 -0.19 1.70 -0.22 -2.21 0.00 0.00 174.62 173.97 1c89 s LEU 55 N -6.45 3.26 -0.06 9.08 1.98 -0.46 -4.83 118.68 121.19 1c89 s LEU 55 Ca 0.65 0.14 -0.17 0.00 -2.89 0.00 0.00 54.13 51.86 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 -2.22 0.45 -0.32 -1.89 0.00 0.00 176.35 172.95 1c89 s MET 56 N 6.66 4.17 0.27 1.98 1.75 -1.26 -2.29 119.30 130.57 1c89 s MET 56 Ca 0.59 0.45 0.11 0.00 -1.25 0.00 0.00 55.69 55.59 1c89 s MET 56 Cb -0.11 -3.34 0.32 0.00 2.84 0.00 0.00 34.83 34.54 1c89 s MET 56 CO 0.19 0.41 1.58 -1.00 -0.65 0.00 0.00 175.02 175.55 1c89 h PRO 57 N 5.75 0.00 0.12 4.11 0.13 -1.93 -2.27 132.00 137.91 1c89 h PRO 57 Ca -0.46 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.39 1c89 h PRO 57 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1c89 h PRO 57 CO 0.69 0.64 -1.32 0.38 -0.23 0.00 0.00 178.00 178.16 1c89 h ASP 58 N 0.00 0.39 0.24 1.44 2.03 -1.95 -3.25 116.42 115.32 1c89 h ASP 58 Ca -0.01 -0.45 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1c89 h ASP 58 Cb 1.16 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.53 1c89 h ASP 58 CO 0.08 1.36 -0.09 0.23 -1.03 0.00 0.00 179.24 179.80 1c89 n MET 59 N -3.50 0.91 -4.70 4.15 2.81 -1.21 -4.75 117.12 110.82 1c89 n MET 59 Ca -0.10 -0.34 -0.33 0.00 -1.81 0.00 0.00 57.70 55.12 1c89 n MET 59 Cb 1.03 -1.49 -0.16 0.00 -0.71 0.00 0.00 33.22 31.88 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 -2.33 2.16 0.00 2.03 1.01 -0.86 -2.62 120.40 119.80 1c89 s VAL 60 Ca 0.33 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1c89 s VAL 60 Cb 0.20 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1c89 s VAL 60 CO 0.44 0.55 0.00 1.17 0.00 0.00 0.00 175.10 177.25 1c89 n LYS 61 N 4.01 2.92 -2.04 2.72 0.00 -1.26 -4.56 118.16 119.95 1c89 n LYS 61 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 57.81 1c89 n LYS 61 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.50 1c89 n LYS 61 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1c89 s ASN 62 N -1.97 5.16 0.00 3.14 3.04 -1.26 -4.89 114.94 118.17 1c89 s ASN 62 Ca 0.00 -0.35 0.00 0.00 0.04 0.00 0.00 52.86 52.55 1c89 s ASN 62 Cb 0.00 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 37.16 1c89 s ASN 62 CO 0.00 -2.65 0.09 0.00 -3.04 0.00 0.00 177.10 171.50 1c89 n TYR 63 N 13.68 0.00 -3.61 0.43 0.18 -1.26 -4.87 117.16 121.71 1c89 n TYR 63 Ca 0.34 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.88 1c89 n TYR 63 Cb 0.48 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.46 1c89 n TYR 63 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1c89 s GLU 64 N -0.18 2.28 -1.39 -3.48 8.01 -1.26 -4.69 118.70 117.99 1c89 s GLU 64 Ca 0.00 -1.89 -0.07 0.00 0.01 0.00 0.00 54.97 53.02 1c89 s GLU 64 Cb 0.00 -2.28 0.05 0.00 -4.31 0.00 0.00 34.13 27.59 1c89 s GLU 64 CO 0.00 -0.69 2.60 -0.40 0.01 0.00 0.00 175.26 176.78 1c89 n ASP 65 N -1.92 8.23 -1.38 -0.19 5.75 -1.26 -4.64 116.55 121.15 1c89 n ASP 65 Ca 0.04 -2.95 -0.06 0.00 -0.01 0.00 0.00 54.79 51.81 1c89 n ASP 65 Cb 0.63 -1.42 0.10 0.00 -1.03 0.00 0.00 41.12 39.40 1c89 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1c89 n GLY 66 N 2.31 2.75 3.41 6.12 0.00 -1.26 -4.80 105.19 113.73 1c89 n GLY 66 Ca 0.67 -0.43 -0.44 0.00 0.00 0.00 0.00 46.02 45.83 1c89 n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c89 s THR 67 N -1.47 4.80 0.00 2.61 -4.23 -1.26 -4.95 115.64 111.14 1c89 s THR 67 Ca 0.23 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1c89 s THR 67 Cb 0.19 -4.43 0.00 0.00 1.34 0.00 0.00 72.50 69.60 1c89 s THR 67 CO 0.05 -1.02 0.00 0.35 -0.54 0.00 0.00 174.62 173.46 1c89 n THR 68 N 5.61 0.00 -2.77 3.99 -2.24 -1.26 -4.76 114.28 112.85 1c89 n THR 68 Ca -0.08 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.27 1c89 n THR 68 Cb 0.44 -0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 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 6.57 0.00 3.42 0.01 -1.26 -4.97 113.70 116.47 1c89 s SER 69 Ca 0.00 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.56 1c89 s SER 69 Cb 0.00 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1c89 s SER 69 CO 0.00 -1.05 0.00 -0.81 0.41 0.00 0.00 173.24 171.79 1c89 n PRO 70 N 7.22 0.00 0.00 12.44 -0.04 -1.26 -4.83 135.00 148.54 1c89 n PRO 70 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1c89 n PRO 70 Cb 0.48 -0.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 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 2.08 1.63 1.83 0.55 0.00 -1.26 -3.97 105.19 106.05 1c89 n GLY 71 Ca 0.00 0.28 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 6.26 -4.80 0.99 -0.00 -1.26 -4.94 117.00 113.25 1c89 n LEU 72 Ca 0.00 -3.15 -0.32 0.00 -0.00 0.00 0.00 56.01 52.53 1c89 n LEU 72 Cb 0.00 -1.06 0.02 0.00 -0.00 0.00 0.00 43.42 42.38 1c89 n LEU 72 CO 0.00 1.18 0.72 -1.59 -0.00 0.00 0.00 177.39 177.70 1c89 s LYS 73 N -1.55 3.27 0.23 1.47 -2.85 -1.25 -4.76 119.74 114.30 1c89 s LYS 73 Ca 0.26 1.17 0.10 0.00 -1.00 0.00 0.00 55.97 56.51 1c89 s LYS 73 Cb 0.21 -2.03 -0.05 0.00 -2.06 0.00 0.00 37.83 33.90 1c89 s LYS 73 CO -0.00 -0.85 -0.18 -1.54 0.10 0.00 0.00 175.35 172.88 1c89 s SER 74 N -2.91 3.10 0.04 0.03 1.04 0.08 -4.40 113.70 110.68 1c89 s SER 74 Ca 0.63 -1.00 -0.31 0.00 0.48 0.00 0.00 55.95 55.75 1c89 s SER 74 Cb -0.16 -0.22 -0.06 0.00 0.10 0.00 0.00 66.02 65.68 1c89 s SER 74 CO 0.39 -0.04 1.35 -0.69 0.98 0.00 0.00 173.24 175.22 1c89 s VAL 75 N -2.59 3.68 -0.01 5.02 1.01 0.16 -1.28 120.40 126.39 1c89 s VAL 75 Ca 0.25 1.14 0.06 0.00 0.00 0.00 0.00 61.98 63.43 1c89 s VAL 75 Cb -0.04 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1c89 s VAL 75 CO 0.11 0.04 -0.18 -0.69 0.00 0.00 0.00 175.10 174.38 1c89 s VAL 76 N 1.75 1.43 -0.97 2.92 1.01 0.75 -1.58 120.40 125.72 1c89 s VAL 76 Ca 0.63 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 61.59 1c89 s VAL 76 Cb -0.32 -1.20 0.06 0.00 0.00 0.00 0.00 36.38 34.92 1c89 s VAL 76 CO 0.28 0.39 1.37 0.00 0.00 0.00 0.00 175.10 177.14 1c89 s ALA 77 N -0.44 2.83 0.37 5.51 0.00 0.83 -0.69 121.76 130.17 1c89 s ALA 77 Ca 0.07 -2.25 0.07 0.00 0.00 0.00 0.00 51.96 49.85 1c89 s ALA 77 Cb -0.07 -4.41 0.78 0.00 0.00 0.00 0.00 23.12 19.42 1c89 s ALA 77 CO -0.01 -3.46 1.96 -0.97 0.00 0.00 0.00 175.76 173.29 1c89 h ASN 78 N 9.65 0.62 -3.48 0.00 -0.73 -1.79 -0.94 115.58 118.91 1c89 h ASN 78 Ca 0.13 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.31 1c89 h ASN 78 Cb 1.02 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.48 1c89 h ASN 78 CO 1.35 0.40 0.00 0.00 -0.37 0.00 0.00 177.43 178.82 1c89 n GLN 79 N -4.48 1.52 -3.65 6.67 10.64 -1.26 -2.74 117.38 124.08 1c89 n GLN 79 Ca 0.10 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.91 1c89 n GLN 79 Cb 0.24 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.53 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1c89 s LEU 80 N 0.00 4.13 -0.07 2.61 0.20 -1.25 -3.73 118.68 120.57 1c89 s LEU 80 Ca 0.00 0.17 0.05 0.00 0.69 0.00 0.00 54.13 55.04 1c89 s LEU 80 Cb 0.00 -2.14 -0.01 0.00 -0.43 0.00 0.00 46.19 43.61 1c89 s LEU 80 CO 0.00 0.07 -0.24 -0.63 -0.29 0.00 0.00 176.35 175.26 1c89 s ILE 81 N 0.97 1.99 0.50 6.68 1.01 0.82 -4.97 121.20 128.21 1c89 s ILE 81 Ca 0.09 -1.01 -0.20 0.00 0.00 0.00 0.00 60.65 59.52 1c89 s ILE 81 Cb -0.13 -1.69 -0.08 0.00 0.01 0.00 0.00 42.46 40.57 1c89 s ILE 81 CO 0.04 0.55 1.05 -2.16 0.00 0.00 0.00 174.94 174.42 1c89 s PRO 82 N 0.01 3.70 0.99 2.79 0.04 -1.26 -0.80 135.00 140.47 1c89 s PRO 82 Ca -0.08 1.40 -0.16 0.00 0.04 0.00 0.00 61.00 62.20 1c89 s PRO 82 Cb -0.15 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1c89 s PRO 82 CO 0.05 -0.52 -0.09 -0.89 0.04 0.00 0.00 177.00 175.59 1c89 n ILE 83 N -1.07 0.00 -3.67 0.56 5.41 -1.26 -3.61 119.36 115.72 1c89 n ILE 83 Ca 0.10 -0.27 -0.31 0.00 1.00 0.00 0.00 62.75 63.26 1c89 n ILE 83 Cb 0.52 -0.42 0.02 0.00 -0.71 0.00 0.00 39.64 39.05 1c89 n ILE 83 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1c89 n ASN 84 N 0.18 -5.13 -3.57 4.38 3.02 0.36 -4.95 115.26 109.56 1c89 n ASN 84 Ca 0.03 -0.62 -0.19 0.00 -0.03 0.00 0.00 54.58 53.77 1c89 n ASN 84 Cb 0.57 -1.66 -0.14 0.00 -0.61 0.00 0.00 39.78 37.93 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1c89 s THR 85 N -2.34 -0.27 -0.82 3.41 2.01 -1.24 -4.85 115.64 111.54 1c89 s THR 85 Ca 0.17 0.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.98 1c89 s THR 85 Cb -0.02 -0.54 -0.19 0.00 0.01 0.00 0.00 72.50 71.76 1c89 s THR 85 CO 0.89 -0.11 2.13 0.00 -0.69 0.00 0.00 174.62 176.84 1c89 n ALA 86 N 5.32 0.44 -2.31 7.40 0.00 -1.24 -4.15 120.51 125.96 1c89 n ALA 86 Ca -0.05 -1.50 -0.34 0.00 0.00 0.00 0.00 53.44 51.55 1c89 n ALA 86 Cb 0.50 -2.85 -0.06 0.00 0.00 0.00 0.00 19.45 17.04 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 11.56 4.22 0.45 0.00 2.34 -0.90 -4.62 118.68 131.72 1c89 s LEU 87 Ca 0.86 1.09 0.03 0.00 0.06 0.00 0.00 54.13 56.17 1c89 s LEU 87 Cb -0.21 -3.61 -0.02 0.00 -0.56 0.00 0.00 46.19 41.78 1c89 s LEU 87 CO 0.18 -0.03 0.07 0.42 -1.06 0.00 0.00 176.35 175.93 1c89 s THR 88 N -1.70 0.91 0.56 5.48 -4.23 -1.26 0.13 115.64 115.53 1c89 s THR 88 Ca 0.45 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.31 1c89 s THR 88 Cb -0.13 -2.30 0.52 0.00 1.34 0.00 0.00 72.50 71.94 1c89 s THR 88 CO 0.20 0.00 1.76 0.17 -0.54 0.00 0.00 174.62 176.20 1c89 h LEU 89 N 1.60 0.00 -0.15 4.79 -0.00 -1.93 0.13 115.31 119.74 1c89 h LEU 89 Ca -0.40 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.51 1c89 h LEU 89 Cb 1.29 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.93 1c89 h LEU 89 CO 0.66 0.00 -0.01 0.58 -0.00 0.00 0.00 178.44 179.67 1c89 h VAL 90 N 0.00 0.89 0.00 0.15 2.07 -2.02 -2.79 116.25 114.56 1c89 h VAL 90 Ca 0.52 -0.01 -0.14 0.00 0.82 0.00 0.00 66.70 67.89 1c89 h VAL 90 Cb 2.25 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 1c89 h VAL 90 CO -0.01 0.01 -0.93 0.24 0.02 0.00 0.00 177.57 176.91 1c89 h MET 91 N 0.04 0.00 -5.41 1.57 2.86 -1.22 -3.45 114.93 109.32 1c89 h MET 91 Ca 0.07 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.11 1c89 h MET 91 Cb 0.09 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.64 1c89 h MET 91 CO -0.12 0.44 -0.42 -1.64 1.06 0.00 0.00 176.91 176.23 1c89 s MET 92 N -2.93 4.14 -0.21 1.72 1.00 -0.12 -3.75 119.30 119.14 1c89 s MET 92 Ca 0.01 -0.07 0.02 0.00 0.00 0.00 0.00 55.69 55.64 1c89 s MET 92 Cb 0.08 -3.40 0.04 0.00 0.00 0.00 0.00 34.83 31.56 1c89 s MET 92 CO 0.78 0.33 -0.14 0.15 0.00 0.00 0.00 175.02 176.14 1c89 s LYS 93 N 0.23 2.41 -0.72 2.03 -0.14 0.13 -4.52 119.74 119.16 1c89 s LYS 93 Ca 0.12 -1.01 -0.27 0.00 -1.36 0.00 0.00 55.97 53.45 1c89 s LYS 93 Cb -0.12 -2.63 0.03 0.00 -1.68 0.00 0.00 37.83 33.43 1c89 s LYS 93 CO 0.01 -0.41 1.30 0.00 -0.76 0.00 0.00 175.35 175.49 1c89 s ALA 94 N 1.26 2.74 0.34 5.17 0.00 -1.26 -0.18 121.76 129.84 1c89 s ALA 94 Ca -0.02 -1.29 0.09 0.00 0.00 0.00 0.00 51.96 50.74 1c89 s ALA 94 Cb -0.16 -4.24 -0.06 0.00 0.00 0.00 0.00 23.12 18.65 1c89 s ALA 94 CO -0.09 -3.27 -0.03 -1.21 0.00 0.00 0.00 175.76 171.16 1c89 s GLU 95 N 5.74 1.96 -1.14 0.00 0.41 -0.40 -4.72 118.70 120.54 1c89 s GLU 95 Ca 0.37 -1.84 -0.19 0.00 -0.41 0.00 0.00 54.97 52.90 1c89 s GLU 95 Cb -0.08 -1.82 0.09 0.00 -1.78 0.00 0.00 34.13 30.53 1c89 s GLU 95 CO 0.16 0.13 1.50 -2.00 -0.49 0.00 0.00 175.26 174.57 1c89 s GLU 96 N -3.67 3.82 0.08 1.61 -6.30 -1.26 -0.74 118.70 112.24 1c89 s GLU 96 Ca 0.34 -1.78 -0.01 0.00 -2.50 0.00 0.00 54.97 51.03 1c89 s GLU 96 Cb 0.01 -5.31 -0.04 0.00 0.00 0.00 0.00 34.13 28.79 1c89 s GLU 96 CO 0.18 -2.09 -0.01 0.54 0.02 0.00 0.00 175.26 173.90 1c89 s VAL 97 N 3.80 0.26 0.16 3.70 0.11 -1.26 -4.83 120.40 122.34 1c89 s VAL 97 Ca 0.46 -1.86 0.07 0.00 -2.93 0.00 0.00 61.98 57.72 1c89 s VAL 97 Cb 0.00 -1.70 -0.04 0.00 -1.53 0.00 0.00 36.38 33.12 1c89 s VAL 97 CO -0.02 -0.83 0.03 -0.44 -3.33 0.00 0.00 175.10 170.51 1c89 s SER 98 N -2.98 4.96 0.83 3.54 0.01 -1.26 -4.03 113.70 114.77 1c89 s SER 98 Ca 0.13 -0.31 -0.12 0.00 1.31 0.00 0.00 55.95 56.95 1c89 s SER 98 Cb 0.08 -1.13 0.09 0.00 0.21 0.00 0.00 66.02 65.27 1c89 s SER 98 CO -0.06 0.09 1.14 -2.16 0.41 0.00 0.00 173.24 172.66 1c89 s PRO 99 N -2.91 1.84 -0.94 12.44 0.04 -1.26 -4.93 135.00 139.29 1c89 s PRO 99 Ca 0.28 0.31 -0.16 0.00 0.04 0.00 0.00 61.00 61.47 1c89 s PRO 99 Cb -0.10 -1.92 0.17 0.00 0.04 0.00 0.00 34.50 32.70 1c89 s PRO 99 CO 0.20 -1.72 1.04 -1.59 0.04 0.00 0.00 177.00 174.97 1c89 s LYS 100 N -5.37 3.69 0.00 4.56 -2.85 -1.26 -4.92 119.74 113.59 1c89 s LYS 100 Ca 0.62 -2.17 0.00 0.00 -1.00 0.00 0.00 55.97 53.42 1c89 s LYS 100 Cb -0.13 -4.75 0.00 0.00 -2.06 0.00 0.00 37.83 30.89 1c89 s LYS 100 CO 0.52 -1.58 0.00 0.41 0.10 0.00 0.00 175.35 174.80 1c89 n GLY 101 N 4.68 0.20 3.50 0.59 0.00 -1.25 -4.88 105.19 108.03 1c89 n GLY 101 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 3.89 0.94 -0.61 1.01 -0.54 -4.88 121.20 121.02 1c89 s ILE 102 Ca 0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.17 1c89 s ILE 102 Cb 0.00 -2.70 0.16 0.00 0.01 0.00 0.00 42.46 39.93 1c89 s ILE 102 CO 0.00 0.50 1.12 -2.16 0.00 0.00 0.00 174.94 174.40 1c89 s PRO 103 N 0.31 0.89 0.00 2.79 0.04 -1.26 -0.67 135.00 137.10 1c89 s PRO 103 Ca -0.04 0.40 0.11 0.00 0.04 0.00 0.00 61.00 61.52 1c89 s PRO 103 Cb -0.14 -1.80 0.35 0.00 0.04 0.00 0.00 34.50 32.95 1c89 s PRO 103 CO 0.03 -2.39 1.28 -1.13 0.04 0.00 0.00 177.00 174.83 1c89 n SER 104 N -3.92 1.78 0.17 6.66 3.41 -1.26 -3.92 113.62 116.54 1c89 n SER 104 Ca 0.06 -1.97 0.14 0.00 -0.26 0.00 0.00 58.87 56.84 1c89 n SER 104 Cb 0.58 -0.21 0.49 0.00 -0.26 0.00 0.00 64.21 64.81 1c89 n SER 104 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1c89 h GLU 105 N 1.98 0.00 0.00 4.33 4.11 -1.93 -3.14 114.58 119.93 1c89 h GLU 105 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 1c89 h GLU 105 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1c89 h GLU 105 CO 0.00 0.00 -1.84 0.39 0.07 0.00 0.00 179.01 177.63 1c89 n GLU 106 N -2.57 0.83 -0.25 1.06 1.02 -1.25 -4.44 120.64 115.04 1c89 n GLU 106 Ca 0.03 -0.10 0.14 0.00 -0.02 0.00 0.00 57.16 57.20 1c89 n GLU 106 Cb 0.33 -1.39 0.43 0.00 -0.02 0.00 0.00 31.44 30.79 1c89 n GLU 106 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1c89 h ILE 107 N 0.00 0.79 -0.78 -3.67 1.08 -1.74 -1.26 117.51 111.94 1c89 h ILE 107 Ca -0.13 -0.20 0.18 0.00 -0.39 0.00 0.00 64.86 64.32 1c89 h ILE 107 Cb 1.13 0.16 -0.13 0.00 -3.07 0.00 0.00 36.82 34.91 1c89 h ILE 107 CO 0.01 0.11 0.02 0.77 -0.69 0.00 0.00 178.15 178.37 1c89 h SER 108 N 0.59 -0.33 1.09 1.72 4.64 -1.78 1.63 113.55 121.10 1c89 h SER 108 Ca 0.44 0.20 -0.12 0.00 -0.47 0.00 0.00 61.79 61.84 1c89 h SER 108 Cb 0.83 0.35 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 1c89 h SER 108 CO -0.19 -0.18 -0.96 0.11 -0.87 0.00 0.00 176.83 174.73 1c89 h LYS 109 N 0.11 0.00 -0.64 4.77 1.57 -1.58 -3.29 116.57 117.51 1c89 h LYS 109 Ca 0.43 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.08 1c89 h LYS 109 Cb 0.77 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.00 1c89 h LYS 109 CO -0.68 0.34 0.15 1.28 -0.57 0.00 0.00 179.45 179.97 1c89 n LEU 110 N -3.01 5.78 -4.70 2.94 4.77 0.40 -4.98 117.00 118.20 1c89 n LEU 110 Ca -0.04 -3.13 -0.42 0.00 -0.03 0.00 0.00 56.01 52.39 1c89 n LEU 110 Cb 0.76 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1c89 n LEU 110 CO 0.41 0.75 1.43 0.52 -1.33 0.00 0.00 177.39 179.18 1c89 n VAL 111 N 0.04 0.20 -1.59 4.08 0.31 0.53 -1.12 118.33 120.78 1c89 n VAL 111 Ca 0.35 -0.04 -0.08 0.00 -0.01 0.00 0.00 64.34 64.57 1c89 n VAL 111 Cb 1.28 -2.05 -0.02 0.00 -0.91 0.00 0.00 33.84 32.14 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 4.11 0.60 3.80 2.92 0.00 0.35 -4.90 105.19 112.07 1c89 n GLY 112 Ca 0.17 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.34 2.85 -0.34 1.61 0.00 -0.27 -4.10 119.30 115.72 1c89 s MET 113 Ca 0.00 1.07 -0.17 0.00 0.00 0.00 0.00 55.69 56.59 1c89 s MET 113 Cb 0.00 -1.98 -0.01 0.00 0.00 0.00 0.00 34.83 32.85 1c89 s MET 113 CO 0.00 -1.17 0.48 -0.65 0.00 0.00 0.00 175.02 173.68 1c89 s GLN 114 N -4.77 3.68 0.50 3.16 -0.21 -1.26 -2.12 119.66 118.63 1c89 s GLN 114 Ca 0.60 -0.14 -0.15 0.00 0.02 0.00 0.00 55.36 55.69 1c89 s GLN 114 Cb -0.15 -3.78 -0.07 0.00 1.00 0.00 0.00 33.01 30.00 1c89 s GLN 114 CO 0.51 -0.58 0.95 0.54 -2.12 0.00 0.00 175.29 174.59 1c89 s VAL 115 N 2.31 4.59 -2.27 1.09 0.11 -1.26 -4.55 120.40 120.42 1c89 s VAL 115 Ca 0.18 1.10 0.20 0.00 -2.93 0.00 0.00 61.98 60.53 1c89 s VAL 115 Cb -0.16 -3.73 0.31 0.00 -1.53 0.00 0.00 36.38 31.27 1c89 s VAL 115 CO 0.12 -0.68 1.27 0.59 -3.33 0.00 0.00 175.10 173.07 1c89 n ASN 116 N -1.59 3.09 -4.37 3.54 4.13 -1.26 -0.49 115.26 118.31 1c89 n ASN 116 Ca 0.06 -1.91 -0.21 0.00 1.68 0.00 0.00 54.58 54.20 1c89 n ASN 116 Cb 0.54 -0.16 -0.10 0.00 -1.54 0.00 0.00 39.78 38.52 1c89 n ASN 116 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1c89 s ARG 117 N -1.46 1.39 0.25 3.52 1.04 -1.26 -4.72 118.95 117.71 1c89 s ARG 117 Ca 0.31 -1.58 -0.30 0.00 -1.04 0.00 0.00 55.73 53.13 1c89 s ARG 117 Cb 0.19 -1.32 -0.09 0.00 -2.04 0.00 0.00 34.95 31.69 1c89 s ARG 117 CO 0.27 0.24 0.98 0.00 -0.04 0.00 0.00 175.30 176.75 1c89 s ALA 118 N -2.62 3.35 -0.20 7.88 0.00 -1.26 -4.16 121.76 124.75 1c89 s ALA 118 Ca 0.22 0.68 -0.02 0.00 0.00 0.00 0.00 51.96 52.84 1c89 s ALA 118 Cb -0.03 -3.24 -0.00 0.00 0.00 0.00 0.00 23.12 19.85 1c89 s ALA 118 CO 0.08 0.13 -0.09 0.08 0.00 0.00 0.00 175.76 175.96 1c89 s VAL 119 N -1.19 3.00 0.00 0.00 1.01 0.02 -4.90 120.40 118.35 1c89 s VAL 119 Ca 0.42 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1c89 s VAL 119 Cb -0.27 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.77 1c89 s VAL 119 CO 0.34 0.46 0.00 -1.22 0.00 0.00 0.00 175.10 174.68 1c89 n TYR 120 N 4.63 -0.89 0.00 5.22 4.01 -1.26 -0.12 117.16 128.74 1c89 n TYR 120 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1c89 n TYR 120 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 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 -4.28 7.72 7.99 -1.24 -3.96 117.00 123.23 1c89 n LEU 121 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.91 1c89 n LEU 121 Cb 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.22 1c89 n LEU 121 CO 0.00 0.00 1.32 -0.90 -1.51 0.00 0.00 177.39 176.30 1c89 n ASP 122 N 0.00 -0.99 -4.42 -1.43 5.75 -0.41 -4.52 116.55 110.53 1c89 n ASP 122 Ca 0.00 -1.36 -0.29 0.00 -0.01 0.00 0.00 54.79 53.13 1c89 n ASP 122 Cb 0.00 -0.86 -0.12 0.00 -1.03 0.00 0.00 41.12 39.11 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1c89 s GLN 123 N 6.46 1.49 0.24 0.11 2.00 -0.88 -4.72 119.66 124.37 1c89 s GLN 123 Ca 0.57 -1.36 -0.30 0.00 -2.00 0.00 0.00 55.36 52.27 1c89 s GLN 123 Cb -0.25 -1.93 -0.09 0.00 0.80 0.00 0.00 33.01 31.54 1c89 s GLN 123 CO 0.19 0.44 0.97 0.99 -0.50 0.00 0.00 175.29 177.38 1c89 s THR 124 N -1.20 3.98 -0.10 -0.34 2.01 -1.26 -0.12 115.64 118.61 1c89 s THR 124 Ca 0.16 1.98 -0.30 0.00 0.31 0.00 0.00 61.69 63.85 1c89 s THR 124 Cb -0.10 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 1c89 s THR 124 CO 0.08 0.47 1.01 -0.22 -0.69 0.00 0.00 174.62 175.27 1c89 s LEU 125 N -1.18 4.26 -0.04 4.42 2.96 -0.61 -4.88 118.68 123.60 1c89 s LEU 125 Ca 0.42 1.55 0.04 0.00 -0.22 0.00 0.00 54.13 55.92 1c89 s LEU 125 Cb -0.27 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 42.86 1c89 s LEU 125 CO 0.34 -0.44 -0.16 -0.04 -1.32 0.00 0.00 176.35 174.72 1c89 s MET 126 N 1.96 1.72 -1.53 1.98 -1.94 -1.26 -1.46 119.30 118.76 1c89 s MET 126 Ca 0.49 -0.57 -0.09 0.00 -1.71 0.00 0.00 55.69 53.81 1c89 s MET 126 Cb -0.19 -1.49 -0.02 0.00 2.01 0.00 0.00 34.83 35.14 1c89 s MET 126 CO 0.19 0.21 2.77 -0.35 -0.01 0.00 0.00 175.02 177.83 1c89 n PRO 127 N 3.22 3.95 0.00 2.03 -0.04 -1.26 -4.60 135.00 138.30 1c89 n PRO 127 Ca -0.18 -2.59 0.00 0.00 -0.04 0.00 0.00 63.50 60.68 1c89 n PRO 127 Cb 0.53 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 1c89 n PRO 127 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1c89 n ASP 128 N 3.09 0.00 -0.98 3.54 9.92 -1.26 -4.68 116.55 126.18 1c89 n ASP 128 Ca 0.73 0.16 0.11 0.00 -0.53 0.00 0.00 54.79 55.26 1c89 n ASP 128 Cb 0.24 -0.38 0.15 0.00 -0.64 0.00 0.00 41.12 40.48 1c89 n ASP 128 CO 0.00 0.00 0.00 1.15 0.13 0.00 0.00 177.20 178.48 1c89 n MET 129 N -2.02 2.24 -2.29 -1.24 0.00 -1.26 -4.94 117.12 107.61 1c89 n MET 129 Ca 0.00 -2.02 -0.42 0.00 0.00 0.00 0.00 57.70 55.26 1c89 n MET 129 Cb 0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 33.22 31.74 1c89 n MET 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1c89 s VAL 130 N -1.61 3.92 -1.00 3.17 -7.23 -1.26 -4.62 120.40 111.77 1c89 s VAL 130 Ca 0.31 1.24 0.25 0.00 -1.81 0.00 0.00 61.98 61.96 1c89 s VAL 130 Cb 0.20 -3.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.32 1c89 s VAL 130 CO 0.28 -0.04 1.35 0.29 -0.31 0.00 0.00 175.10 176.68 1c89 n LYS 131 N 5.79 0.00 -0.04 4.82 5.02 -1.26 -3.79 118.16 128.70 1c89 n LYS 131 Ca 0.13 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 1c89 n LYS 131 Cb 0.44 -1.50 0.44 0.00 -0.02 0.00 0.00 35.03 34.39 1c89 n LYS 131 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1c89 n ASN 132 N -1.51 1.70 -4.74 4.39 2.85 -1.26 -4.89 115.26 111.81 1c89 n ASN 132 Ca 0.05 -1.62 -0.40 0.00 -0.11 0.00 0.00 54.58 52.50 1c89 n ASN 132 Cb 0.34 -0.05 -0.05 0.00 1.24 0.00 0.00 39.78 41.25 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1c89 s TYR 133 N -1.90 3.89 -2.87 1.20 5.04 -1.25 -5.02 117.35 116.44 1c89 s TYR 133 Ca 0.35 1.85 0.23 0.00 -2.44 0.00 0.00 57.07 57.06 1c89 s TYR 133 Cb 0.20 -3.04 0.18 0.00 0.35 0.00 0.00 41.96 39.65 1c89 s TYR 133 CO 0.30 0.27 1.23 0.39 -1.34 0.00 0.00 175.55 176.40