#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf0 n ARG 3 N 0.00 0.28 -1.90 0.00 1.74 -1.26 -4.86 116.66 110.65 1nf0 n ARG 3 Ca 0.00 0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 1nf0 n ARG 3 Cb 0.00 -1.79 -0.03 0.00 -1.02 0.00 0.00 32.46 29.62 1nf0 n ARG 3 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1nf0 s THR 4 N 7.15 2.86 0.11 0.55 2.01 -1.26 -4.93 115.64 122.13 1nf0 s THR 4 Ca 1.20 0.42 -0.35 0.00 0.31 0.00 0.00 61.69 63.27 1nf0 s THR 4 Cb -1.26 -3.27 -0.15 0.00 0.01 0.00 0.00 72.50 67.83 1nf0 s THR 4 CO 0.57 0.01 1.46 0.33 -0.69 0.00 0.00 174.62 176.30 1nf0 n PHE 5 N 5.18 1.88 -4.53 4.92 7.35 -1.26 -4.86 117.46 126.14 1nf0 n PHE 5 Ca 0.16 0.46 -0.28 0.00 -0.76 0.00 0.00 57.45 57.02 1nf0 n PHE 5 Cb 0.40 -2.44 -0.17 0.00 0.35 0.00 0.00 39.48 37.62 1nf0 n PHE 5 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 1nf0 s PHE 6 N 0.79 1.92 -0.22 -5.13 2.19 -0.84 -1.31 117.98 115.37 1nf0 s PHE 6 Ca 0.82 -0.87 0.01 0.00 0.33 0.00 0.00 56.93 57.23 1nf0 s PHE 6 Cb -0.83 -1.38 0.05 0.00 -1.31 0.00 0.00 43.02 39.55 1nf0 s PHE 6 CO 0.43 -0.44 -0.08 0.08 1.83 0.00 0.00 175.22 177.04 1nf0 s VAL 7 N 0.89 1.68 0.08 3.12 1.01 -0.28 -1.35 120.40 125.55 1nf0 s VAL 7 Ca -0.09 -1.21 -0.02 0.00 0.00 0.00 0.00 61.98 60.66 1nf0 s VAL 7 Cb -0.15 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 1nf0 s VAL 7 CO 0.00 0.02 0.28 -0.83 0.00 0.00 0.00 175.10 174.56 1nf0 s GLY 8 N 1.35 2.21 -0.36 4.51 0.00 0.68 -1.59 107.32 114.11 1nf0 s GLY 8 Ca -0.05 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.00 1nf0 s GLY 8 CO -0.07 -0.65 0.09 -0.32 0.00 0.00 0.00 173.10 172.15 1nf0 s GLY 9 N -2.39 1.98 -0.65 0.20 0.00 0.07 -0.60 107.32 105.94 1nf0 s GLY 9 Ca 0.36 -2.59 -0.23 0.00 0.00 0.00 0.00 44.72 42.25 1nf0 s GLY 9 CO 0.25 0.96 1.00 0.21 0.00 0.00 0.00 173.10 175.52 1nf0 s ASN 10 N 0.94 6.20 0.25 1.64 2.47 0.34 -0.30 114.94 126.48 1nf0 s ASN 10 Ca 0.11 -0.81 0.22 0.00 0.42 0.00 0.00 52.86 52.80 1nf0 s ASN 10 Cb -0.20 -2.44 0.97 0.00 -1.45 0.00 0.00 41.25 38.13 1nf0 s ASN 10 CO -0.07 -1.45 1.67 0.49 -3.72 0.00 0.00 177.10 174.01 1nf0 n PHE 11 N 7.87 0.72 -2.62 0.43 3.72 -0.88 -4.39 117.46 122.31 1nf0 n PHE 11 Ca -0.02 0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.68 1nf0 n PHE 11 Cb 0.46 -0.99 0.00 0.00 -0.94 0.00 0.00 39.48 38.02 1nf0 n PHE 11 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1nf0 n LYS 12 N -2.17 0.00 -2.37 -1.08 5.02 -1.26 -3.24 118.16 113.05 1nf0 n LYS 12 Ca 0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.88 1nf0 n LYS 12 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.19 1nf0 n LYS 12 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1nf0 n LEU 13 N 0.00 6.50 -3.80 -0.35 7.94 -1.26 -4.40 117.00 121.63 1nf0 n LEU 13 Ca 0.00 -4.59 -0.12 0.00 -1.11 0.00 0.00 56.01 50.18 1nf0 n LEU 13 Cb 0.00 -1.50 -0.11 0.00 0.53 0.00 0.00 43.42 42.34 1nf0 n LEU 13 CO 0.00 1.29 -0.09 0.20 -1.11 0.00 0.00 177.39 177.67 1nf0 s ASN 14 N 1.22 -0.19 0.00 1.96 0.01 -1.20 -5.14 114.94 111.61 1nf0 s ASN 14 Ca 0.40 0.28 0.00 0.00 -0.71 0.00 0.00 52.86 52.84 1nf0 s ASN 14 Cb 0.08 0.41 0.00 0.00 0.41 0.00 0.00 41.25 42.15 1nf0 s ASN 14 CO 0.00 -0.20 0.00 0.61 -1.51 0.00 0.00 177.10 176.00 1nf0 n GLY 15 N 2.38 3.84 3.26 0.66 0.00 -1.26 -4.59 105.19 109.48 1nf0 n GLY 15 Ca -0.16 -1.68 -0.15 0.00 0.00 0.00 0.00 46.02 44.02 1nf0 n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nf0 s SER 16 N 0.00 0.80 0.20 1.61 1.04 -1.26 -5.00 113.70 111.08 1nf0 s SER 16 Ca 0.00 -1.45 -0.11 0.00 0.48 0.00 0.00 55.95 54.87 1nf0 s SER 16 Cb 0.00 0.34 0.17 0.00 0.10 0.00 0.00 66.02 66.63 1nf0 s SER 16 CO 0.00 -0.84 1.83 0.11 0.98 0.00 0.00 173.24 175.32 1nf0 h LYS 17 N 2.44 0.74 -0.21 4.02 1.57 -2.00 -0.86 116.57 122.28 1nf0 h LYS 17 Ca -0.35 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.36 1nf0 h LYS 17 Cb 1.25 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1nf0 h LYS 17 CO 0.53 0.49 0.03 1.96 -0.57 0.00 0.00 179.45 181.89 1nf0 h GLN 18 N 0.76 0.34 -0.21 3.15 1.08 -1.99 -0.57 115.11 117.68 1nf0 h GLN 18 Ca 0.26 -0.09 -0.11 0.00 -1.45 0.00 0.00 58.65 57.25 1nf0 h GLN 18 Cb 0.03 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 1nf0 h GLN 18 CO -0.11 0.50 -0.35 0.66 -0.95 0.00 0.00 178.83 178.57 1nf0 h SER 19 N 0.14 0.46 -0.06 1.46 4.64 -1.90 -2.12 113.55 116.17 1nf0 h SER 19 Ca 0.06 -0.18 -0.15 0.00 -0.47 0.00 0.00 61.79 61.05 1nf0 h SER 19 Cb 0.32 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1nf0 h SER 19 CO 0.00 0.78 -0.46 0.40 -0.87 0.00 0.00 176.83 176.69 1nf0 h ILE 20 N 0.38 1.30 -0.42 0.95 2.04 -1.09 -2.21 117.51 118.47 1nf0 h ILE 20 Ca 0.04 -1.65 0.06 0.00 1.00 0.00 0.00 64.86 64.31 1nf0 h ILE 20 Cb 0.80 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 1nf0 h ILE 20 CO 0.06 0.52 0.12 0.50 0.00 0.00 0.00 178.15 179.36 1nf0 h LYS 21 N 0.49 0.27 -0.93 2.37 3.64 -0.81 -0.45 116.57 121.15 1nf0 h LYS 21 Ca 0.03 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1nf0 h LYS 21 Cb 0.98 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.70 1nf0 h LYS 21 CO 0.09 0.18 0.57 1.49 -2.27 0.00 0.00 179.45 179.51 1nf0 h GLU 22 N 0.27 1.26 -0.47 1.90 4.81 -1.08 -0.07 114.58 121.20 1nf0 h GLU 22 Ca 0.20 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1nf0 h GLU 22 Cb 0.21 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1nf0 h GLU 22 CO -0.22 0.87 0.11 0.82 -0.73 0.00 0.00 179.01 179.85 1nf0 h ILE 23 N 1.28 1.24 -0.02 2.32 2.04 -0.78 -1.85 117.51 121.74 1nf0 h ILE 23 Ca 0.34 -0.85 -0.24 0.00 1.00 0.00 0.00 64.86 65.10 1nf0 h ILE 23 Cb -0.07 0.89 0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1nf0 h ILE 23 CO -0.07 0.30 -0.96 0.58 0.00 0.00 0.00 178.15 178.01 1nf0 h VAL 24 N 0.64 1.32 -0.65 1.67 2.07 -0.93 -2.57 116.25 117.80 1nf0 h VAL 24 Ca 0.15 -2.27 -0.01 0.00 0.82 0.00 0.00 66.70 65.38 1nf0 h VAL 24 Cb 0.34 2.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1nf0 h VAL 24 CO 0.00 0.70 0.35 -0.33 0.02 0.00 0.00 177.57 178.30 1nf0 h GLU 25 N 0.35 0.89 -0.42 1.57 5.08 -0.99 -0.87 114.58 120.20 1nf0 h GLU 25 Ca -0.10 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1nf0 h GLU 25 Cb 1.60 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 1nf0 h GLU 25 CO 0.18 0.66 0.25 -0.09 -1.00 0.00 0.00 179.01 179.01 1nf0 h ARG 26 N 0.90 0.57 -0.15 2.33 2.43 -1.25 -2.65 114.38 116.57 1nf0 h ARG 26 Ca 0.23 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1nf0 h ARG 26 Cb 0.04 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1nf0 h ARG 26 CO -0.04 0.44 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.63 1nf0 h LEU 27 N 0.55 0.23 -1.24 3.80 3.38 -0.96 0.10 115.31 121.18 1nf0 h LEU 27 Ca 0.15 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1nf0 h LEU 27 Cb 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1nf0 h LEU 27 CO -0.03 0.41 -0.33 0.78 0.09 0.00 0.00 178.44 179.37 1nf0 h ASN 28 N 0.23 0.00 -0.00 -0.43 2.35 -0.85 -3.24 115.58 113.64 1nf0 h ASN 28 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1nf0 h ASN 28 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1nf0 h ASN 28 CO 0.03 0.33 -0.07 0.35 -1.65 0.00 0.00 177.43 176.42 1nf0 n THR 29 N -3.73 0.00 -2.21 2.81 -2.24 -1.04 -4.93 114.28 102.94 1nf0 n THR 29 Ca -0.01 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 61.01 1nf0 n THR 29 Cb 0.42 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1nf0 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nf0 s ALA 30 N -0.73 3.22 -0.20 6.98 0.00 0.33 -5.01 121.76 126.35 1nf0 s ALA 30 Ca 0.05 -0.25 -0.16 0.00 0.00 0.00 0.00 51.96 51.60 1nf0 s ALA 30 Cb 0.04 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1nf0 s ALA 30 CO 0.10 -0.52 0.43 0.45 0.00 0.00 0.00 175.76 176.22 1nf0 s SER 31 N -4.09 6.47 0.20 0.00 0.15 -1.26 -4.97 113.70 110.19 1nf0 s SER 31 Ca 0.52 0.55 0.09 0.00 0.70 0.00 0.00 55.95 57.81 1nf0 s SER 31 Cb -0.11 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 1nf0 s SER 31 CO 0.49 -0.10 -0.18 0.27 1.20 0.00 0.00 173.24 174.92 1nf0 s ILE 32 N 1.40 1.96 0.83 6.45 -4.36 -1.26 -4.95 121.20 121.26 1nf0 s ILE 32 Ca 0.20 -2.09 -0.11 0.00 -0.26 0.00 0.00 60.65 58.39 1nf0 s ILE 32 Cb -0.15 -2.00 0.09 0.00 1.25 0.00 0.00 42.46 41.66 1nf0 s ILE 32 CO 0.08 -0.38 1.14 -2.84 0.24 0.00 0.00 174.94 173.18 1nf0 s PRO 33 N -3.12 1.69 0.25 0.37 0.02 -1.26 -4.91 135.00 128.04 1nf0 s PRO 33 Ca 0.20 1.45 0.06 0.00 0.02 0.00 0.00 61.00 62.73 1nf0 s PRO 33 Cb -0.05 -1.81 0.29 0.00 0.02 0.00 0.00 34.50 32.96 1nf0 s PRO 33 CO 0.08 -2.11 1.58 1.49 -0.33 0.00 0.00 177.00 177.71 1nf0 h GLU 34 N -1.30 0.16 -1.40 5.54 4.81 -2.00 -3.31 114.58 117.07 1nf0 h GLU 34 Ca -0.44 -0.11 -0.38 0.00 -0.13 0.00 0.00 59.36 58.30 1nf0 h GLU 34 Cb 1.26 0.02 -0.16 0.00 0.63 0.00 0.00 28.75 30.49 1nf0 h GLU 34 CO 0.47 0.71 0.49 0.27 -0.73 0.00 0.00 179.01 180.22 1nf0 n ASN 35 N -3.86 6.46 -4.17 1.04 0.23 -1.26 -4.90 115.26 108.81 1nf0 n ASN 35 Ca -0.02 -3.17 -0.20 0.00 -0.53 0.00 0.00 54.58 50.66 1nf0 n ASN 35 Cb 0.61 -1.02 -0.13 0.00 -2.08 0.00 0.00 39.78 37.16 1nf0 n ASN 35 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1nf0 s VAL 36 N -2.67 1.20 -0.27 3.53 1.01 -1.25 -4.05 120.40 117.91 1nf0 s VAL 36 Ca 0.36 -1.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 1nf0 s VAL 36 Cb 0.29 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 1nf0 s VAL 36 CO -0.00 -0.05 0.06 -0.70 0.00 0.00 0.00 175.10 174.41 1nf0 s GLU 37 N -1.37 3.38 -0.12 2.72 2.12 -0.43 -4.74 118.70 120.26 1nf0 s GLU 37 Ca 0.01 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 54.69 1nf0 s GLU 37 Cb -0.09 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 30.99 1nf0 s GLU 37 CO 0.02 -0.30 -0.14 0.08 -0.54 0.00 0.00 175.26 174.38 1nf0 s VAL 38 N 1.55 2.94 -0.21 3.70 1.01 0.19 -1.13 120.40 128.46 1nf0 s VAL 38 Ca 0.05 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1nf0 s VAL 38 Cb -0.16 -2.22 0.05 0.00 0.00 0.00 0.00 36.38 34.05 1nf0 s VAL 38 CO 0.02 0.53 -0.08 -0.69 0.00 0.00 0.00 175.10 174.88 1nf0 s VAL 39 N 0.31 1.55 -0.07 2.92 1.01 -0.62 -1.12 120.40 124.38 1nf0 s VAL 39 Ca -0.11 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 60.67 1nf0 s VAL 39 Cb -0.16 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 1nf0 s VAL 39 CO 0.06 0.07 0.40 0.27 0.00 0.00 0.00 175.10 175.90 1nf0 s ILE 40 N 1.42 5.14 -0.53 2.22 -4.36 -0.41 -0.75 121.20 123.92 1nf0 s ILE 40 Ca -0.03 0.80 0.04 0.00 -0.26 0.00 0.00 60.65 61.20 1nf0 s ILE 40 Cb -0.17 -3.72 0.13 0.00 1.25 0.00 0.00 42.46 39.96 1nf0 s ILE 40 CO -0.07 0.47 0.28 0.00 0.24 0.00 0.00 174.94 175.86 1nf0 s PRO 42 N -0.35 2.08 0.84 0.00 0.04 -1.24 -2.06 135.00 134.31 1nf0 s PRO 42 Ca 0.18 -0.23 -0.13 0.00 0.04 0.00 0.00 61.00 60.85 1nf0 s PRO 42 Cb -0.24 -2.13 0.05 0.00 0.04 0.00 0.00 34.50 32.23 1nf0 s PRO 42 CO -0.02 -1.35 0.84 -2.30 0.04 0.00 0.00 177.00 174.22 1nf0 n PRO 43 N -3.01 0.00 0.07 0.56 -0.02 -1.26 -4.39 135.00 126.95 1nf0 n PRO 43 Ca 0.08 0.07 0.04 0.00 -2.02 0.00 0.00 63.50 61.67 1nf0 n PRO 43 Cb 0.60 -2.15 0.46 0.00 -0.02 0.00 0.00 33.50 32.39 1nf0 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nf0 h ALA 44 N -1.09 1.71 -0.16 3.55 0.00 -1.96 -0.58 119.26 120.72 1nf0 h ALA 44 Ca -0.45 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.44 1nf0 h ALA 44 Cb 1.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1nf0 h ALA 44 CO 0.41 0.24 0.18 1.15 0.00 0.00 0.00 179.25 181.24 1nf0 h THR 45 N 0.38 0.45 -0.20 0.00 2.02 -2.04 -2.27 112.91 111.25 1nf0 h THR 45 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1nf0 h THR 45 Cb 0.05 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1nf0 h THR 45 CO -0.01 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.66 1nf0 n TYR 46 N -3.77 0.32 0.09 3.16 4.02 -0.23 -4.76 117.16 115.99 1nf0 n TYR 46 Ca 0.01 -0.56 -0.13 0.00 -0.01 0.00 0.00 57.90 57.21 1nf0 n TYR 46 Cb 0.30 -0.07 -0.08 0.00 -0.02 0.00 0.00 39.34 39.47 1nf0 n TYR 46 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1nf0 h LEU 47 N 1.21 -0.15 0.09 7.72 3.38 -1.38 -0.99 115.31 125.19 1nf0 h LEU 47 Ca 0.00 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1nf0 h LEU 47 Cb 0.73 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1nf0 h LEU 47 CO 0.02 0.05 -0.19 -0.78 0.09 0.00 0.00 178.44 177.63 1nf0 h ASP 48 N -0.35 -0.54 -0.70 -0.43 -0.00 -1.84 -1.89 116.42 110.67 1nf0 h ASP 48 Ca -0.02 0.07 0.10 0.00 -0.00 0.00 0.00 57.03 57.18 1nf0 h ASP 48 Cb 0.28 0.21 -0.08 0.00 -0.00 0.00 0.00 39.33 39.74 1nf0 h ASP 48 CO 0.03 -0.27 0.32 0.22 -0.00 0.00 0.00 179.24 179.54 1nf0 h TYR 49 N -0.35 0.56 0.15 0.28 3.20 -1.87 -0.75 116.97 118.19 1nf0 h TYR 49 Ca 0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1nf0 h TYR 49 Cb 0.38 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1nf0 h TYR 49 CO -0.20 0.17 -0.07 0.77 -1.64 0.00 0.00 178.16 177.19 1nf0 h SER 50 N 0.53 -0.17 -0.95 -2.11 0.02 -0.78 -1.79 113.55 108.30 1nf0 h SER 50 Ca 0.36 -0.02 0.13 0.00 -0.84 0.00 0.00 61.79 61.41 1nf0 h SER 50 Cb 0.43 0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.94 1nf0 h SER 50 CO -0.31 -0.10 0.60 0.58 -1.14 0.00 0.00 176.83 176.47 1nf0 h VAL 51 N -0.23 0.89 0.00 2.27 2.07 -0.96 -2.00 116.25 118.29 1nf0 h VAL 51 Ca -0.02 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1nf0 h VAL 51 Cb 0.18 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1nf0 h VAL 51 CO 0.03 0.16 -0.07 0.77 0.02 0.00 0.00 177.57 178.48 1nf0 h SER 52 N 0.87 0.00 0.71 0.57 4.64 -0.27 -3.05 113.55 117.01 1nf0 h SER 52 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1nf0 h SER 52 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1nf0 h SER 52 CO -0.23 0.07 -1.05 0.18 -0.87 0.00 0.00 176.83 174.93 1nf0 n LEU 53 N -3.26 0.67 -4.72 5.97 4.77 -0.76 -4.94 117.00 114.72 1nf0 n LEU 53 Ca -0.00 0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.73 1nf0 n LEU 53 Cb 0.28 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1nf0 n LEU 53 CO 0.28 -0.08 1.15 -0.69 -1.33 0.00 0.00 177.39 176.72 1nf0 s VAL 54 N -3.30 2.93 -0.12 4.08 1.01 -1.15 -4.86 120.40 118.99 1nf0 s VAL 54 Ca 0.01 0.67 0.18 0.00 0.00 0.00 0.00 61.98 62.84 1nf0 s VAL 54 Cb 0.12 -3.43 0.43 0.00 0.00 0.00 0.00 36.38 33.50 1nf0 s VAL 54 CO 0.79 0.05 1.19 0.29 0.00 0.00 0.00 175.10 177.43 1nf0 n LYS 55 N 3.91 0.96 -3.76 2.72 5.02 -1.26 -5.04 118.16 120.71 1nf0 n LYS 55 Ca 0.13 -2.76 -0.14 0.00 -2.02 0.00 0.00 58.31 53.52 1nf0 n LYS 55 Cb 0.40 -0.90 -0.15 0.00 -0.02 0.00 0.00 35.03 34.36 1nf0 n LYS 55 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1nf0 s LYS 56 N -1.79 0.03 0.50 1.97 2.20 -1.26 -4.98 119.74 116.41 1nf0 s LYS 56 Ca 0.36 0.27 0.23 0.00 -0.36 0.00 0.00 55.97 56.47 1nf0 s LYS 56 Cb 0.38 -0.20 1.31 0.00 -1.51 0.00 0.00 37.83 37.81 1nf0 s LYS 56 CO -0.11 -0.16 2.05 -1.00 -0.36 0.00 0.00 175.35 175.77 1nf0 h PRO 57 N 7.18 0.00 0.00 4.03 0.13 -2.01 -1.97 132.00 139.36 1nf0 h PRO 57 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1nf0 h PRO 57 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1nf0 h PRO 57 CO 0.45 0.14 0.00 1.96 -0.23 0.00 0.00 178.00 180.33 1nf0 h GLN 58 N 0.00 0.00 -5.01 0.86 7.50 -1.94 -3.43 115.11 113.10 1nf0 h GLN 58 Ca -0.00 0.00 -0.64 0.00 0.50 0.00 0.00 58.65 58.51 1nf0 h GLN 58 Cb 0.33 0.00 -0.20 0.00 0.05 0.00 0.00 27.48 27.66 1nf0 h GLN 58 CO 0.02 0.00 -0.59 0.08 -1.50 0.00 0.00 178.83 176.84 1nf0 s VAL 59 N -3.84 4.63 0.42 -0.54 1.01 -0.74 -0.64 120.40 120.70 1nf0 s VAL 59 Ca -0.02 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1nf0 s VAL 59 Cb 0.10 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1nf0 s VAL 59 CO 0.41 0.34 0.07 0.35 0.00 0.00 0.00 175.10 176.27 1nf0 n THR 60 N 4.67 0.00 -4.79 3.92 -2.24 -0.28 -4.83 114.28 110.72 1nf0 n THR 60 Ca -0.16 -2.17 -0.28 0.00 -2.27 0.00 0.00 64.05 59.16 1nf0 n THR 60 Cb 0.52 0.60 -0.14 0.00 -2.10 0.00 0.00 70.33 69.21 1nf0 n THR 60 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nf0 s VAL 61 N -2.80 1.96 0.17 2.28 1.01 -1.26 -1.29 120.40 120.46 1nf0 s VAL 61 Ca 0.09 -1.33 0.03 0.00 0.00 0.00 0.00 61.98 60.77 1nf0 s VAL 61 Cb 0.00 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1nf0 s VAL 61 CO 0.07 0.30 -0.03 -0.83 0.00 0.00 0.00 175.10 174.60 1nf0 s GLY 62 N -1.24 1.19 0.30 4.51 0.00 0.36 -0.76 107.32 111.68 1nf0 s GLY 62 Ca 0.10 -1.57 0.02 0.00 0.00 0.00 0.00 44.72 43.27 1nf0 s GLY 62 CO 0.02 -1.56 0.48 0.00 0.00 0.00 0.00 173.10 172.04 1nf0 s ALA 63 N -3.52 3.78 -1.17 3.20 0.00 -0.55 -3.69 121.76 119.82 1nf0 s ALA 63 Ca 0.21 -1.00 0.25 0.00 0.00 0.00 0.00 51.96 51.42 1nf0 s ALA 63 Cb 0.05 -1.98 0.53 0.00 0.00 0.00 0.00 23.12 21.71 1nf0 s ALA 63 CO 0.03 0.09 1.42 1.04 0.00 0.00 0.00 175.76 178.35 1nf0 n GLN 64 N -1.58 0.19 -3.64 0.00 6.02 -1.26 -0.89 117.38 116.21 1nf0 n GLN 64 Ca -0.06 -0.11 -0.02 0.00 -0.01 0.00 0.00 57.00 56.80 1nf0 n GLN 64 Cb 0.56 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.29 1nf0 n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1nf0 s ASN 65 N -2.89 -0.03 0.24 1.08 2.47 -1.23 -4.46 114.94 110.12 1nf0 s ASN 65 Ca 0.14 0.02 -0.09 0.00 0.42 0.00 0.00 52.86 53.34 1nf0 s ASN 65 Cb 0.18 0.02 -0.01 0.00 -1.45 0.00 0.00 41.25 39.99 1nf0 s ASN 65 CO 0.67 -0.03 0.38 0.00 -3.72 0.00 0.00 177.10 174.40 1nf0 s ALA 66 N -1.43 0.18 0.78 1.71 0.00 -1.26 -4.66 121.76 117.07 1nf0 s ALA 66 Ca 0.10 -1.12 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 1nf0 s ALA 66 Cb -0.01 1.16 0.15 0.00 0.00 0.00 0.00 23.12 24.42 1nf0 s ALA 66 CO -0.06 -0.78 1.08 -0.47 0.00 0.00 0.00 175.76 175.53 1nf0 s TYR 67 N -4.02 1.54 -1.91 0.00 5.04 -0.14 -4.91 117.35 112.94 1nf0 s TYR 67 Ca 0.27 -0.15 0.17 0.00 -2.44 0.00 0.00 57.07 54.92 1nf0 s TYR 67 Cb 0.01 -3.26 0.51 0.00 0.35 0.00 0.00 41.96 39.57 1nf0 s TYR 67 CO 0.10 -1.96 1.42 1.47 -1.34 0.00 0.00 175.55 175.24 1nf0 n LEU 68 N -3.07 3.11 -4.32 6.97 -0.00 -1.26 -4.72 117.00 113.71 1nf0 n LEU 68 Ca 0.15 -1.56 -0.22 0.00 -0.00 0.00 0.00 56.01 54.39 1nf0 n LEU 68 Cb 0.60 -0.39 -0.11 0.00 -0.00 0.00 0.00 43.42 43.52 1nf0 n LEU 68 CO 0.43 0.74 -0.49 -0.54 -0.00 0.00 0.00 177.39 177.53 1nf0 s LYS 69 N -1.30 1.24 0.24 1.47 -0.14 -1.26 -4.90 119.74 115.09 1nf0 s LYS 69 Ca 0.38 -1.35 0.23 0.00 -1.36 0.00 0.00 55.97 53.87 1nf0 s LYS 69 Cb 0.20 -1.34 0.14 0.00 -1.68 0.00 0.00 37.83 35.16 1nf0 s LYS 69 CO 0.25 0.28 1.22 0.00 -0.76 0.00 0.00 175.35 176.34 1nf0 h ALA 70 N 3.43 0.62 -2.77 5.17 0.00 -1.97 -3.43 119.26 120.32 1nf0 h ALA 70 Ca -0.43 0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.58 1nf0 h ALA 70 Cb 1.20 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1nf0 h ALA 70 CO 0.48 0.00 0.32 -1.54 0.00 0.00 0.00 179.25 178.51 1nf0 s SER 71 N -5.32 -0.24 0.00 0.00 1.04 -1.26 -4.68 113.70 103.23 1nf0 s SER 71 Ca 0.02 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1nf0 s SER 71 Cb 0.09 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1nf0 s SER 71 CO 0.75 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1nf0 n GLY 72 N -0.46 0.72 3.01 7.32 0.00 -1.26 -4.95 105.19 109.57 1nf0 n GLY 72 Ca -0.05 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 1nf0 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nf0 n ALA 73 N -1.00 5.02 -3.23 4.61 0.00 -1.26 -4.74 120.51 119.92 1nf0 n ALA 73 Ca 0.00 -4.34 -0.24 0.00 0.00 0.00 0.00 53.44 48.86 1nf0 n ALA 73 Cb 0.00 -2.94 -0.06 0.00 0.00 0.00 0.00 19.45 16.44 1nf0 n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1nf0 n PHE 74 N 4.04 1.20 -1.63 0.00 3.72 -1.26 -5.10 117.46 118.42 1nf0 n PHE 74 Ca 0.38 -3.80 -0.48 0.00 -0.05 0.00 0.00 57.45 53.49 1nf0 n PHE 74 Cb 0.37 -0.43 -0.05 0.00 -0.94 0.00 0.00 39.48 38.44 1nf0 n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1nf0 n THR 75 N 0.93 0.11 -0.12 4.37 -1.04 -1.26 -2.25 114.28 115.01 1nf0 n THR 75 Ca 0.25 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 1nf0 n THR 75 Cb 0.51 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 1nf0 n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nf0 n GLY 76 N 2.91 1.18 3.92 3.41 0.00 -1.26 -5.06 105.19 110.30 1nf0 n GLY 76 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1nf0 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nf0 s GLU 77 N -0.55 2.72 0.11 1.61 0.41 -0.96 -5.10 118.70 116.94 1nf0 s GLU 77 Ca 0.00 -0.13 0.02 0.00 -0.41 0.00 0.00 54.97 54.45 1nf0 s GLU 77 Cb 0.00 -2.27 -0.04 0.00 -1.78 0.00 0.00 34.13 30.04 1nf0 s GLU 77 CO 0.00 -0.82 0.18 -0.80 -0.49 0.00 0.00 175.26 173.33 1nf0 s ASN 78 N -4.36 5.98 -0.09 -0.19 0.01 -1.26 -4.99 114.94 110.03 1nf0 s ASN 78 Ca 0.55 0.09 0.03 0.00 -0.71 0.00 0.00 52.86 52.83 1nf0 s ASN 78 Cb -0.11 -1.72 -0.01 0.00 0.41 0.00 0.00 41.25 39.82 1nf0 s ASN 78 CO 0.44 0.12 -0.18 -0.55 -1.51 0.00 0.00 177.10 175.42 1nf0 s SER 79 N -2.80 3.64 0.55 -1.22 0.15 -1.26 -0.97 113.70 111.79 1nf0 s SER 79 Ca 0.33 -0.38 0.23 0.00 0.70 0.00 0.00 55.95 56.82 1nf0 s SER 79 Cb -0.12 -1.21 1.48 0.00 -1.71 0.00 0.00 66.02 64.46 1nf0 s SER 79 CO 0.26 0.23 2.14 -0.37 1.20 0.00 0.00 173.24 176.70 1nf0 h VAL 80 N 5.12 0.77 -0.09 4.45 -1.51 -1.84 -1.09 116.25 122.05 1nf0 h VAL 80 Ca -0.31 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 65.04 1nf0 h VAL 80 Cb 1.19 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.28 1nf0 h VAL 80 CO 0.51 0.00 -0.47 0.44 -1.23 0.00 0.00 177.57 176.82 1nf0 h ASP 81 N 0.00 0.25 -0.16 4.19 3.45 -1.93 -1.63 116.42 120.59 1nf0 h ASP 81 Ca 0.05 -0.11 -0.20 0.00 0.43 0.00 0.00 57.03 57.20 1nf0 h ASP 81 Cb 0.23 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 1nf0 h ASP 81 CO -0.00 0.68 -0.65 1.56 -1.57 0.00 0.00 179.24 179.26 1nf0 h GLN 82 N 0.19 0.78 -0.43 3.56 4.20 -1.64 -0.65 115.11 121.11 1nf0 h GLN 82 Ca 0.01 -0.56 0.01 0.00 0.06 0.00 0.00 58.65 58.18 1nf0 h GLN 82 Cb 0.90 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 1nf0 h GLN 82 CO 0.07 1.18 0.27 0.82 -0.67 0.00 0.00 178.83 180.50 1nf0 h ILE 83 N 0.57 1.08 -0.75 2.54 2.04 -1.11 -2.34 117.51 119.55 1nf0 h ILE 83 Ca -0.02 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1nf0 h ILE 83 Cb 1.26 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1nf0 h ILE 83 CO 0.14 0.10 0.37 0.50 0.00 0.00 0.00 178.15 179.26 1nf0 h LYS 84 N 0.56 1.06 -0.20 2.37 3.64 -1.17 -1.81 116.57 121.01 1nf0 h LYS 84 Ca 0.16 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1nf0 h LYS 84 Cb -0.03 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1nf0 h LYS 84 CO -0.05 0.82 0.12 0.22 -2.27 0.00 0.00 179.45 178.28 1nf0 h ASP 85 N 1.04 0.24 -0.10 4.20 3.58 -0.60 -0.04 116.42 124.75 1nf0 h ASP 85 Ca 0.26 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1nf0 h ASP 85 Cb 0.09 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1nf0 h ASP 85 CO -0.04 0.19 0.00 1.33 -2.88 0.00 0.00 179.24 177.84 1nf0 n VAL 86 N -4.49 0.10 0.00 2.25 0.24 -0.98 -4.95 118.33 110.50 1nf0 n VAL 86 Ca 0.00 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1nf0 n VAL 86 Cb 0.09 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 1nf0 n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nf0 n GLY 87 N 1.30 0.89 3.86 7.63 0.00 -0.03 -4.72 105.19 114.12 1nf0 n GLY 87 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1nf0 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nf0 s ALA 88 N -2.00 3.05 0.00 4.61 0.00 -0.69 -4.76 121.76 121.96 1nf0 s ALA 88 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1nf0 s ALA 88 Cb 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1nf0 s ALA 88 CO 0.00 -0.76 0.00 1.63 0.00 0.00 0.00 175.76 176.63 1nf0 n LYS 89 N -2.80 4.56 -4.14 0.00 4.76 0.06 -4.18 118.16 116.42 1nf0 n LYS 89 Ca 0.06 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.41 1nf0 n LYS 89 Cb 0.54 -0.33 -0.10 0.00 -1.84 0.00 0.00 35.03 33.30 1nf0 n LYS 89 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1nf0 s TYR 90 N -0.66 0.76 -0.00 2.13 1.51 -1.20 -1.39 117.35 118.51 1nf0 s TYR 90 Ca 0.00 -1.12 0.00 0.00 -1.01 0.00 0.00 57.07 54.95 1nf0 s TYR 90 Cb 0.00 -0.47 -0.00 0.00 -0.11 0.00 0.00 41.96 41.38 1nf0 s TYR 90 CO 0.00 -0.40 -0.01 0.54 -1.11 0.00 0.00 175.55 174.58 1nf0 s VAL 91 N -3.92 0.06 -0.03 0.71 0.11 0.12 -1.48 120.40 115.97 1nf0 s VAL 91 Ca 0.16 -0.03 -0.29 0.00 -2.93 0.00 0.00 61.98 58.89 1nf0 s VAL 91 Cb 0.07 -0.06 -0.03 0.00 -1.53 0.00 0.00 36.38 34.84 1nf0 s VAL 91 CO -0.03 0.02 0.94 -0.63 -3.33 0.00 0.00 175.10 172.06 1nf0 s ILE 92 N -0.01 4.88 -0.02 7.04 1.01 -0.06 -1.35 121.20 132.70 1nf0 s ILE 92 Ca 0.00 1.95 0.05 0.00 0.00 0.00 0.00 60.65 62.65 1nf0 s ILE 92 Cb -0.00 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.18 1nf0 s ILE 92 CO -0.00 0.14 -0.16 -0.76 0.00 0.00 0.00 174.94 174.16 1nf0 s LEU 93 N 1.19 2.00 0.00 2.97 1.43 -0.40 -3.53 118.68 122.33 1nf0 s LEU 93 Ca 0.49 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1nf0 s LEU 93 Cb -0.20 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.16 1nf0 s LEU 93 CO 0.24 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.62 1nf0 n GLY 94 N 2.78 0.47 3.66 -3.19 0.00 -1.26 -1.32 105.19 106.34 1nf0 n GLY 94 Ca -0.15 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 1nf0 n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1nf0 n HIS 95 N -2.88 1.61 -0.34 1.61 -0.00 -1.26 -4.47 115.22 109.49 1nf0 n HIS 95 Ca 0.00 0.50 0.20 0.00 0.46 0.00 0.00 57.72 58.88 1nf0 n HIS 95 Cb 0.00 -2.28 0.42 0.00 -0.12 0.00 0.00 29.99 28.01 1nf0 n HIS 95 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1nf0 h SER 96 N 1.54 0.62 0.25 0.26 0.87 -1.95 -0.67 113.55 114.46 1nf0 h SER 96 Ca -0.47 0.15 -0.11 0.00 -1.23 0.00 0.00 61.79 60.13 1nf0 h SER 96 Cb 1.32 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 1nf0 h SER 96 CO 0.57 0.02 -0.41 -0.33 -0.53 0.00 0.00 176.83 176.15 1nf0 h GLU 97 N 0.49 0.22 0.12 2.24 5.08 -1.98 -1.04 114.58 119.70 1nf0 h GLU 97 Ca 0.67 -0.10 -0.27 0.00 -1.00 0.00 0.00 59.36 58.66 1nf0 h GLU 97 Cb 1.39 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.64 1nf0 h GLU 97 CO -0.51 0.60 -1.23 0.00 -1.00 0.00 0.00 179.01 176.87 1nf0 h ARG 98 N 0.18 0.28 -0.45 2.33 3.08 -1.53 -1.82 114.38 116.46 1nf0 h ARG 98 Ca 0.02 -0.47 -0.06 0.00 0.07 0.00 0.00 59.98 59.54 1nf0 h ARG 98 Cb 0.81 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 1nf0 h ARG 98 CO 0.06 1.22 0.04 0.00 -1.07 0.00 0.00 179.97 180.22 1nf0 h ARG 99 N 0.08 0.71 0.00 0.04 3.08 -0.95 -1.93 114.38 115.41 1nf0 h ARG 99 Ca -0.13 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1nf0 h ARG 99 Cb 1.95 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.90 1nf0 h ARG 99 CO 0.20 0.70 -0.19 -1.13 -1.07 0.00 0.00 179.97 178.48 1nf0 n SER 100 N -4.25 0.50 0.24 7.04 3.41 -0.42 -3.32 113.62 116.82 1nf0 n SER 100 Ca 0.03 0.24 0.08 0.00 -0.26 0.00 0.00 58.87 58.96 1nf0 n SER 100 Cb 0.26 -0.59 0.60 0.00 -0.26 0.00 0.00 64.21 64.22 1nf0 n SER 100 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1nf0 h TYR 101 N -0.27 0.00 -0.02 7.33 -1.99 -1.52 -3.18 116.97 117.32 1nf0 h TYR 101 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1nf0 h TYR 101 Cb 0.19 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.92 1nf0 h TYR 101 CO -0.08 0.14 0.00 1.19 -0.00 0.00 0.00 178.16 179.41 1nf0 n PHE 102 N -4.14 0.07 -3.87 4.88 3.72 -1.08 -5.00 117.46 112.03 1nf0 n PHE 102 Ca -0.02 -0.80 -0.31 0.00 -0.05 0.00 0.00 57.45 56.27 1nf0 n PHE 102 Cb 0.22 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1nf0 n PHE 102 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1nf0 n HIS 103 N -1.00 -2.01 -2.60 1.38 8.25 -1.02 -4.91 115.22 113.32 1nf0 n HIS 103 Ca 0.11 0.77 -0.43 0.00 -0.26 0.00 0.00 57.72 57.90 1nf0 n HIS 103 Cb 0.51 -3.43 -0.02 0.00 1.12 0.00 0.00 29.99 28.17 1nf0 n HIS 103 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1nf0 s GLU 104 N -6.57 4.07 0.62 -0.41 2.02 -0.76 -5.00 118.70 112.68 1nf0 s GLU 104 Ca 0.63 1.15 0.04 0.00 0.02 0.00 0.00 54.97 56.81 1nf0 s GLU 104 Cb -0.33 -3.75 0.09 0.00 0.10 0.00 0.00 34.13 30.24 1nf0 s GLU 104 CO 0.77 -0.91 0.86 0.16 0.02 0.00 0.00 175.26 176.17 1nf0 s ASP 105 N 1.80 4.83 0.24 -0.19 1.47 -1.26 -4.34 116.67 119.22 1nf0 s ASP 105 Ca 0.47 -0.52 -0.05 0.00 1.18 0.00 0.00 52.55 53.63 1nf0 s ASP 105 Cb -0.13 -0.03 0.33 0.00 -0.34 0.00 0.00 42.92 42.74 1nf0 s ASP 105 CO 0.16 -1.50 1.86 0.44 0.68 0.00 0.00 175.17 176.80 1nf0 h ASP 106 N -0.10 0.87 0.19 2.11 3.45 -1.96 -1.55 116.42 119.43 1nf0 h ASP 106 Ca -0.35 0.01 -0.16 0.00 0.43 0.00 0.00 57.03 56.97 1nf0 h ASP 106 Cb 1.28 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.87 1nf0 h ASP 106 CO 0.42 0.56 -0.59 0.50 -1.57 0.00 0.00 179.24 178.56 1nf0 h LYS 107 N 1.01 0.40 -0.74 3.56 1.63 -1.94 -1.16 116.57 119.34 1nf0 h LYS 107 Ca 0.38 -0.27 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1nf0 h LYS 107 Cb 0.15 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 1nf0 h LYS 107 CO -0.17 0.88 0.37 0.35 -3.45 0.00 0.00 179.45 177.43 1nf0 h PHE 108 N 0.30 1.05 -0.46 1.91 3.57 -1.70 0.10 116.94 121.72 1nf0 h PHE 108 Ca -0.00 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 1nf0 h PHE 108 Cb 1.12 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 1nf0 h PHE 108 CO 0.04 0.77 0.13 0.82 -2.23 0.00 0.00 178.31 177.83 1nf0 h ILE 109 N 1.03 1.23 -0.62 1.41 1.08 -1.12 -1.79 117.51 118.73 1nf0 h ILE 109 Ca 0.26 -0.77 -0.02 0.00 -0.39 0.00 0.00 64.86 63.93 1nf0 h ILE 109 Cb 0.10 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 1nf0 h ILE 109 CO -0.03 0.28 0.32 0.00 -0.69 0.00 0.00 178.15 178.02 1nf0 h ALA 110 N 0.99 0.80 -0.64 1.87 0.00 -0.76 -1.17 119.26 120.34 1nf0 h ALA 110 Ca 0.15 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1nf0 h ALA 110 Cb 0.29 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1nf0 h ALA 110 CO -0.00 0.34 0.14 -0.44 0.00 0.00 0.00 179.25 179.29 1nf0 h ASP 111 N 0.85 0.97 -0.68 0.00 3.45 -0.64 -0.53 116.42 119.85 1nf0 h ASP 111 Ca 0.22 -0.20 -0.04 0.00 0.43 0.00 0.00 57.03 57.43 1nf0 h ASP 111 Cb 0.09 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.57 1nf0 h ASP 111 CO -0.03 0.95 0.25 0.11 -1.57 0.00 0.00 179.24 178.95 1nf0 h LYS 112 N 0.98 1.02 0.18 3.56 1.57 -1.17 -0.75 116.57 121.96 1nf0 h LYS 112 Ca 0.20 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1nf0 h LYS 112 Cb 0.37 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1nf0 h LYS 112 CO 0.00 0.87 -0.08 1.15 -0.57 0.00 0.00 179.45 180.82 1nf0 h THR 113 N 0.97 0.91 -0.52 -0.16 2.02 -0.88 0.10 112.91 115.35 1nf0 h THR 113 Ca 0.22 -0.43 0.08 0.00 0.77 0.00 0.00 66.41 67.05 1nf0 h THR 113 Cb 0.24 1.18 -0.07 0.00 -1.74 0.00 0.00 68.15 67.76 1nf0 h THR 113 CO -0.01 0.10 0.15 0.50 0.37 0.00 0.00 175.52 176.63 1nf0 h LYS 114 N -0.45 0.30 -0.33 6.66 3.64 -1.08 -0.59 116.57 124.72 1nf0 h LYS 114 Ca -0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1nf0 h LYS 114 Cb 0.35 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1nf0 h LYS 114 CO 0.04 0.20 0.16 0.35 -2.27 0.00 0.00 179.45 177.93 1nf0 h PHE 115 N 0.31 0.48 -0.39 1.91 3.57 -0.92 -2.10 116.94 119.80 1nf0 h PHE 115 Ca 0.26 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 1nf0 h PHE 115 Cb 0.32 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1nf0 h PHE 115 CO -0.19 0.41 0.05 0.00 -2.23 0.00 0.00 178.31 176.35 1nf0 h ALA 116 N 1.02 0.52 -0.75 2.41 0.00 -0.30 -2.18 119.26 119.99 1nf0 h ALA 116 Ca 0.12 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1nf0 h ALA 116 Cb 0.11 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1nf0 h ALA 116 CO -0.01 0.25 0.44 -0.07 0.00 0.00 0.00 179.25 179.86 1nf0 h LEU 117 N 0.50 0.68 -2.27 0.00 3.38 -1.09 -0.69 115.31 115.83 1nf0 h LEU 117 Ca 0.12 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1nf0 h LEU 117 Cb 0.39 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1nf0 h LEU 117 CO 0.01 0.44 -0.01 1.23 0.09 0.00 0.00 178.44 180.20 1nf0 h GLY 118 N 0.82 0.00 -1.74 0.83 0.00 -0.95 -0.60 103.07 101.42 1nf0 h GLY 118 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1nf0 h GLY 118 CO -0.17 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.31 1nf0 n GLN 119 N -4.05 2.14 -0.87 4.80 1.13 -0.33 -4.92 117.38 115.27 1nf0 n GLN 119 Ca -0.03 -1.75 0.00 0.00 -1.94 0.00 0.00 57.00 53.28 1nf0 n GLN 119 Cb 0.10 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.05 1nf0 n GLN 119 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nf0 n GLY 120 N 1.30 0.50 3.68 1.08 0.00 -0.23 -5.00 105.19 106.52 1nf0 n GLY 120 Ca 0.17 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 1nf0 n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nf0 s VAL 121 N -2.00 4.82 0.76 1.61 1.01 -0.82 -5.02 120.40 120.75 1nf0 s VAL 121 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 1nf0 s VAL 121 Cb 0.00 -3.14 0.05 0.00 0.00 0.00 0.00 36.38 33.29 1nf0 s VAL 121 CO 0.00 0.50 1.10 -0.83 0.00 0.00 0.00 175.10 175.87 1nf0 s GLY 122 N -0.02 1.77 -0.09 4.51 0.00 -0.48 -3.74 107.32 109.28 1nf0 s GLY 122 Ca 0.06 0.33 0.03 0.00 0.00 0.00 0.00 44.72 45.14 1nf0 s GLY 122 CO 0.01 0.68 -0.16 0.14 0.00 0.00 0.00 173.10 173.77 1nf0 s VAL 123 N -2.78 1.49 -0.53 1.40 1.01 -0.88 -0.70 120.40 119.40 1nf0 s VAL 123 Ca 0.62 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.74 1nf0 s VAL 123 Cb -0.18 -1.33 0.07 0.00 0.00 0.00 0.00 36.38 34.94 1nf0 s VAL 123 CO 0.53 0.43 0.64 -0.63 0.00 0.00 0.00 175.10 176.08 1nf0 s ILE 124 N 0.67 4.86 -0.34 2.22 1.01 -0.46 -0.95 121.20 128.21 1nf0 s ILE 124 Ca -0.14 -0.60 -0.16 0.00 0.00 0.00 0.00 60.65 59.76 1nf0 s ILE 124 Cb -0.16 -4.34 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 1nf0 s ILE 124 CO 0.04 -0.88 0.39 -0.22 0.00 0.00 0.00 174.94 174.27 1nf0 s LEU 125 N 2.65 4.40 -0.12 2.97 2.96 0.93 -1.28 118.68 131.20 1nf0 s LEU 125 Ca 0.14 -0.17 -0.15 0.00 -0.22 0.00 0.00 54.13 53.73 1nf0 s LEU 125 Cb -0.20 -2.38 -0.05 0.00 0.50 0.00 0.00 46.19 44.06 1nf0 s LEU 125 CO 0.11 -0.35 0.38 0.00 -1.32 0.00 0.00 176.35 175.16 1nf0 s ILE 127 N 0.23 0.89 0.00 0.00 -4.36 -0.30 -4.59 121.20 113.07 1nf0 s ILE 127 Ca 0.21 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.60 1nf0 s ILE 127 Cb -0.14 -1.98 0.00 0.00 1.25 0.00 0.00 42.46 41.59 1nf0 s ILE 127 CO 0.08 -0.62 0.00 0.61 0.24 0.00 0.00 174.94 175.25 1nf0 n GLY 128 N -0.21 3.45 3.74 6.27 0.00 -1.26 -0.76 105.19 116.42 1nf0 n GLY 128 Ca -0.09 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.68 1nf0 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nf0 s GLU 129 N -2.23 2.63 0.65 1.61 1.03 -1.26 -4.74 118.70 116.39 1nf0 s GLU 129 Ca 0.00 -1.16 -0.09 0.00 0.03 0.00 0.00 54.97 53.75 1nf0 s GLU 129 Cb 0.00 -2.41 0.01 0.00 -0.80 0.00 0.00 34.13 30.94 1nf0 s GLU 129 CO 0.00 0.41 1.00 0.95 -1.33 0.00 0.00 175.26 176.29 1nf0 s THR 130 N -2.08 3.53 0.39 1.83 -4.23 -1.26 -0.16 115.64 113.66 1nf0 s THR 130 Ca 0.31 0.23 0.06 0.00 -1.18 0.00 0.00 61.69 61.12 1nf0 s THR 130 Cb -0.08 -3.45 0.25 0.00 1.34 0.00 0.00 72.50 70.56 1nf0 s THR 130 CO 0.22 -0.53 2.02 0.25 -0.54 0.00 0.00 174.62 176.04 1nf0 h LEU 131 N -0.43 0.50 -0.33 4.79 5.85 -1.98 -1.66 115.31 122.04 1nf0 h LEU 131 Ca -0.45 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.11 1nf0 h LEU 131 Cb 1.26 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1nf0 h LEU 131 CO 0.62 0.40 -0.30 -0.33 -0.34 0.00 0.00 178.44 178.49 1nf0 h GLU 132 N 0.58 0.80 -0.36 1.25 3.07 -1.99 -1.94 114.58 115.99 1nf0 h GLU 132 Ca 0.15 -0.41 -0.01 0.00 -0.50 0.00 0.00 59.36 58.59 1nf0 h GLU 132 Cb -0.00 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1nf0 h GLU 132 CO -0.03 1.04 0.17 0.93 -1.40 0.00 0.00 179.01 179.72 1nf0 h GLU 133 N 0.57 0.52 -0.21 2.33 5.08 -1.82 -2.66 114.58 118.39 1nf0 h GLU 133 Ca 0.06 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1nf0 h GLU 133 Cb 0.88 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 1nf0 h GLU 133 CO 0.08 0.48 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.30 1nf0 h LYS 134 N 0.44 0.01 0.00 2.33 3.64 -1.32 -1.27 116.57 120.40 1nf0 h LYS 134 Ca 0.12 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1nf0 h LYS 134 Cb 0.13 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1nf0 h LYS 134 CO -0.01 0.01 0.00 0.87 -2.27 0.00 0.00 179.45 178.04 1nf0 h LYS 135 N 0.01 0.00 -0.65 1.90 1.57 -1.07 0.11 116.57 118.44 1nf0 h LYS 135 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1nf0 h LYS 135 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1nf0 h LYS 135 CO -0.21 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.67 1nf0 n ALA 136 N -2.07 2.39 -0.99 3.86 0.00 -0.96 -4.95 120.51 117.79 1nf0 n ALA 136 Ca -0.03 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.19 1nf0 n ALA 136 Cb 0.09 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1nf0 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nf0 n GLY 137 N 1.63 0.47 1.27 0.00 0.00 0.39 -4.95 105.19 103.99 1nf0 n GLY 137 Ca 0.23 -0.38 0.10 0.00 0.00 0.00 0.00 46.02 45.97 1nf0 n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nf0 n LYS 138 N -2.99 2.77 -0.14 1.61 5.02 -0.52 -4.61 118.16 119.30 1nf0 n LYS 138 Ca 0.00 -2.38 -0.09 0.00 -2.02 0.00 0.00 58.31 53.82 1nf0 n LYS 138 Cb 0.00 -1.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.37 1nf0 n LYS 138 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1nf0 h THR 139 N 3.72 0.13 -0.49 -0.18 2.02 -1.85 0.58 112.91 116.84 1nf0 h THR 139 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 1nf0 h THR 139 Cb 1.00 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1nf0 h THR 139 CO 0.06 0.00 -0.12 -0.07 0.37 0.00 0.00 175.52 175.76 1nf0 h LEU 140 N -0.29 0.92 -1.03 2.58 3.38 -1.97 -1.97 115.31 116.94 1nf0 h LEU 140 Ca 0.16 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1nf0 h LEU 140 Cb 0.57 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1nf0 h LEU 140 CO -0.60 1.05 0.39 0.44 0.09 0.00 0.00 178.44 179.81 1nf0 h ASP 141 N 0.82 0.97 -0.14 -0.43 3.32 -1.62 -0.02 116.42 119.32 1nf0 h ASP 141 Ca 0.13 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1nf0 h ASP 141 Cb 0.66 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1nf0 h ASP 141 CO 0.05 0.80 0.02 0.58 -1.72 0.00 0.00 179.24 178.97 1nf0 h VAL 142 N 1.08 1.23 0.00 -1.35 2.07 -0.61 -2.34 116.25 116.33 1nf0 h VAL 142 Ca 0.27 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 1nf0 h VAL 142 Cb 0.07 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1nf0 h VAL 142 CO -0.04 0.22 -0.45 -0.37 0.02 0.00 0.00 177.57 176.95 1nf0 h VAL 143 N 0.01 1.01 0.01 2.57 -1.51 -1.02 -1.80 116.25 115.52 1nf0 h VAL 143 Ca 0.04 -1.74 -0.19 0.00 -1.23 0.00 0.00 66.70 63.59 1nf0 h VAL 143 Cb 0.32 2.03 -0.02 0.00 -2.13 0.00 0.00 31.29 31.49 1nf0 h VAL 143 CO 0.00 0.44 -0.88 -0.33 -1.23 0.00 0.00 177.57 175.58 1nf0 h GLU 144 N 0.00 0.05 0.09 5.19 5.08 -1.00 -1.64 114.58 122.34 1nf0 h GLU 144 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1nf0 h GLU 144 Cb 0.99 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1nf0 h GLU 144 CO 0.06 0.89 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.80 1nf0 h ARG 145 N 0.02 -0.16 -0.82 2.33 2.43 -1.02 0.56 114.38 117.72 1nf0 h ARG 145 Ca -0.02 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1nf0 h ARG 145 Cb 1.53 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 31.07 1nf0 h ARG 145 CO 0.12 -0.10 0.53 1.96 -1.51 0.00 0.00 179.97 180.96 1nf0 h GLN 146 N -0.16 1.01 -0.17 0.20 4.20 -1.27 -0.81 115.11 118.10 1nf0 h GLN 146 Ca -0.00 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.49 1nf0 h GLN 146 Cb 0.15 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1nf0 h GLN 146 CO -0.01 0.67 -0.51 -0.07 -0.67 0.00 0.00 178.83 178.24 1nf0 h LEU 147 N 1.04 0.75 -1.06 1.46 3.38 -1.13 -3.00 115.31 116.73 1nf0 h LEU 147 Ca 0.33 -0.59 0.07 0.00 0.09 0.00 0.00 57.88 57.77 1nf0 h LEU 147 Cb -0.01 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 1nf0 h LEU 147 CO -0.11 1.20 0.63 0.78 0.09 0.00 0.00 178.44 181.03 1nf0 h ASN 148 N 0.33 0.99 -0.30 -0.43 -0.26 0.42 0.69 115.58 117.02 1nf0 h ASN 148 Ca -0.01 0.01 0.02 0.00 -0.56 0.00 0.00 56.30 55.75 1nf0 h ASN 148 Cb 1.13 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 38.16 1nf0 h ASN 148 CO 0.11 0.63 0.15 0.00 -1.06 0.00 0.00 177.43 177.26 1nf0 h ALA 149 N 1.48 0.36 -0.46 -0.83 0.00 -1.06 -2.09 119.26 116.65 1nf0 h ALA 149 Ca 0.42 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.26 1nf0 h ALA 149 Cb 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1nf0 h ALA 149 CO -0.16 -0.23 -0.02 0.28 0.00 0.00 0.00 179.25 179.11 1nf0 h VAL 150 N 0.32 1.24 0.00 0.00 2.07 -1.22 -2.95 116.25 115.71 1nf0 h VAL 150 Ca 0.12 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 1nf0 h VAL 150 Cb 0.03 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1nf0 h VAL 150 CO -0.08 0.36 -0.12 -0.07 0.02 0.00 0.00 177.57 177.68 1nf0 h LEU 151 N 0.72 0.00 -0.69 2.57 3.38 -0.37 0.15 115.31 121.08 1nf0 h LEU 151 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1nf0 h LEU 151 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1nf0 h LEU 151 CO 0.02 0.12 0.00 1.21 0.09 0.00 0.00 178.44 179.88 1nf0 n GLU 152 N -3.46 0.16 -0.00 1.13 4.07 -0.84 -3.54 120.64 118.17 1nf0 n GLU 152 Ca -0.01 0.43 -0.00 0.00 -0.06 0.00 0.00 57.16 57.52 1nf0 n GLU 152 Cb 0.28 -1.83 -0.01 0.00 -0.06 0.00 0.00 31.44 29.82 1nf0 n GLU 152 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1nf0 n GLU 153 N -2.14 2.05 -4.45 5.31 -0.58 -0.44 -5.03 120.64 115.36 1nf0 n GLU 153 Ca 0.02 -0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.43 1nf0 n GLU 153 Cb 0.20 -1.03 -0.16 0.00 -0.57 0.00 0.00 31.44 29.88 1nf0 n GLU 153 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1nf0 s VAL 154 N -2.05 2.10 -0.65 2.62 1.01 0.41 -4.86 120.40 118.99 1nf0 s VAL 154 Ca -0.00 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.09 1nf0 s VAL 154 Cb 0.00 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.55 1nf0 s VAL 154 CO 0.04 0.54 0.59 0.29 0.00 0.00 0.00 175.10 176.57 1nf0 n LYS 155 N 4.29 1.02 -3.97 2.72 4.76 -1.26 -4.33 118.16 121.38 1nf0 n LYS 155 Ca -0.20 -0.67 -0.29 0.00 -2.87 0.00 0.00 58.31 54.27 1nf0 n LYS 155 Cb 0.51 -1.04 -0.17 0.00 -1.84 0.00 0.00 35.03 32.50 1nf0 n LYS 155 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1nf0 s ASP 156 N -0.73 2.54 -0.32 4.39 3.68 -1.26 -4.98 116.67 120.00 1nf0 s ASP 156 Ca 0.06 -0.44 0.10 0.00 2.13 0.00 0.00 52.55 54.40 1nf0 s ASP 156 Cb 0.05 -1.05 0.73 0.00 -1.45 0.00 0.00 42.92 41.20 1nf0 s ASP 156 CO 0.11 -0.09 1.79 0.49 0.13 0.00 0.00 175.17 177.60 1nf0 n PHE 157 N 4.83 2.38 -0.16 -5.34 3.01 -1.26 -4.64 117.46 116.27 1nf0 n PHE 157 Ca -0.15 -1.22 0.01 0.00 1.01 0.00 0.00 57.45 57.10 1nf0 n PHE 157 Cb 0.50 -0.68 0.28 0.00 -0.01 0.00 0.00 39.48 39.57 1nf0 n PHE 157 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1nf0 h THR 158 N 2.57 1.18 -0.24 4.37 2.02 -1.98 -2.32 112.91 118.51 1nf0 h THR 158 Ca 0.26 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 67.00 1nf0 h THR 158 Cb 2.30 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 68.88 1nf0 h THR 158 CO 0.72 0.18 -0.08 -3.20 0.37 0.00 0.00 175.52 173.51 1nf0 n ASN 159 N -4.42 2.85 -4.67 4.18 4.05 -1.26 -4.94 115.26 111.05 1nf0 n ASN 159 Ca 0.07 -3.44 -0.35 0.00 0.45 0.00 0.00 54.58 51.31 1nf0 n ASN 159 Cb 0.05 -0.57 -0.10 0.00 1.23 0.00 0.00 39.78 40.40 1nf0 n ASN 159 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1nf0 s VAL 160 N -3.06 4.32 -0.10 3.44 1.01 -0.87 -2.08 120.40 123.05 1nf0 s VAL 160 Ca 0.41 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.19 1nf0 s VAL 160 Cb 0.36 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1nf0 s VAL 160 CO 0.03 0.59 -0.23 -0.69 0.00 0.00 0.00 175.10 174.80 1nf0 s VAL 161 N -0.70 1.98 -0.15 2.92 1.01 -0.12 -4.62 120.40 120.72 1nf0 s VAL 161 Ca 0.11 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 1nf0 s VAL 161 Cb -0.12 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1nf0 s VAL 161 CO 0.02 0.54 0.27 -0.69 0.00 0.00 0.00 175.10 175.24 1nf0 s VAL 162 N 0.44 5.32 -0.29 2.92 1.01 -0.79 -0.05 120.40 128.96 1nf0 s VAL 162 Ca -0.17 0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 1nf0 s VAL 162 Cb -0.17 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.64 1nf0 s VAL 162 CO 0.07 0.43 0.01 0.00 0.00 0.00 0.00 175.10 175.61 1nf0 s ALA 163 N 0.21 2.86 -0.48 5.51 0.00 0.51 -0.07 121.76 130.29 1nf0 s ALA 163 Ca 0.16 -1.63 -0.26 0.00 0.00 0.00 0.00 51.96 50.23 1nf0 s ALA 163 Cb -0.13 -1.96 0.03 0.00 0.00 0.00 0.00 23.12 21.06 1nf0 s ALA 163 CO 0.04 -1.11 0.95 -0.47 0.00 0.00 0.00 175.76 175.18 1nf0 s TYR 164 N 1.34 2.88 -0.28 0.00 5.04 -0.39 -1.14 117.35 124.79 1nf0 s TYR 164 Ca -0.02 0.34 0.02 0.00 -2.44 0.00 0.00 57.07 54.97 1nf0 s TYR 164 Cb -0.18 -4.04 0.08 0.00 0.35 0.00 0.00 41.96 38.16 1nf0 s TYR 164 CO -0.01 -1.17 0.00 -1.21 -1.34 0.00 0.00 175.55 171.82 1nf0 s GLU 165 N 3.89 1.45 0.19 4.97 2.02 0.06 -1.40 118.70 129.88 1nf0 s GLU 165 Ca 0.37 -1.28 -0.32 0.00 0.02 0.00 0.00 54.97 53.76 1nf0 s GLU 165 Cb -0.10 -2.67 -0.11 0.00 0.10 0.00 0.00 34.13 31.35 1nf0 s GLU 165 CO 0.26 -0.77 1.62 -2.14 0.02 0.00 0.00 175.26 174.25 1nf0 s PRO 166 N 1.28 4.18 0.00 0.39 0.02 -1.25 -4.25 135.00 135.37 1nf0 s PRO 166 Ca 0.02 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.49 1nf0 s PRO 166 Cb -0.19 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.21 1nf0 s PRO 166 CO -0.10 -0.65 0.30 0.28 -0.33 0.00 0.00 177.00 176.49 1nf0 n VAL 167 N 3.88 0.30 0.00 3.83 0.31 0.77 -3.28 118.33 124.14 1nf0 n VAL 167 Ca 0.14 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1nf0 n VAL 167 Cb 0.37 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 1nf0 n VAL 167 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nf0 n ALA 169 N 1.87 0.00 -2.48 3.52 0.00 -1.26 -4.89 120.51 117.27 1nf0 n ALA 169 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1nf0 n ALA 169 Cb 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 1nf0 n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nf0 s ILE 170 N 0.00 4.33 -0.33 0.00 1.01 -1.21 -2.66 121.20 122.34 1nf0 s ILE 170 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.24 1nf0 s ILE 170 Cb 0.00 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1nf0 s ILE 170 CO 0.00 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.31 1nf0 n GLY 171 N 3.73 0.36 0.11 6.18 0.00 -1.26 -4.86 105.19 109.45 1nf0 n GLY 171 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1nf0 n GLY 171 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1nf0 h THR 172 N 0.00 0.73 0.00 2.61 1.35 -1.96 -3.48 112.91 112.17 1nf0 h THR 172 Ca -0.06 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 1nf0 h THR 172 Cb 0.93 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 1nf0 h THR 172 CO 0.09 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 1nf0 n GLY 173 N 1.32 0.57 3.13 5.82 0.00 -1.26 -5.02 105.19 109.75 1nf0 n GLY 173 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1nf0 n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nf0 s LEU 174 N 0.00 5.35 0.84 0.99 1.02 -1.26 -5.01 118.68 120.61 1nf0 s LEU 174 Ca 0.00 -2.13 -0.12 0.00 0.02 0.00 0.00 54.13 51.90 1nf0 s LEU 174 Cb 0.00 -1.87 0.10 0.00 0.02 0.00 0.00 46.19 44.44 1nf0 s LEU 174 CO 0.00 -0.55 1.13 0.00 0.02 0.00 0.00 176.35 176.95 1nf0 s ALA 175 N 1.01 2.18 0.64 4.21 0.00 -1.26 -4.59 121.76 123.94 1nf0 s ALA 175 Ca 0.09 -0.43 -0.18 0.00 0.00 0.00 0.00 51.96 51.44 1nf0 s ALA 175 Cb -0.23 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1nf0 s ALA 175 CO -0.04 -1.90 1.23 0.00 0.00 0.00 0.00 175.76 175.05 1nf0 n ALA 176 N -3.51 0.96 -1.69 0.00 0.00 -1.26 -4.97 120.51 110.04 1nf0 n ALA 176 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.16 1nf0 n ALA 176 Cb 0.58 -2.28 0.03 0.00 0.00 0.00 0.00 19.45 17.78 1nf0 n ALA 176 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1nf0 s THR 177 N -1.41 2.96 0.27 0.00 -4.23 -1.26 -4.85 115.64 107.11 1nf0 s THR 177 Ca 0.81 0.56 -0.01 0.00 -1.18 0.00 0.00 61.69 61.87 1nf0 s THR 177 Cb -0.39 -3.17 0.25 0.00 1.34 0.00 0.00 72.50 70.53 1nf0 s THR 177 CO 0.42 -0.17 1.72 -0.65 -0.54 0.00 0.00 174.62 175.40 1nf0 h PRO 178 N 0.77 0.43 -0.46 3.99 0.11 -1.93 -0.52 132.00 134.39 1nf0 h PRO 178 Ca -0.49 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1nf0 h PRO 178 Cb 1.27 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1nf0 h PRO 178 CO 0.55 0.29 0.09 0.93 -0.21 0.00 0.00 178.00 179.65 1nf0 h GLU 179 N 0.45 0.75 -0.39 1.05 3.07 -1.92 -0.73 114.58 116.86 1nf0 h GLU 179 Ca 0.48 -0.19 -0.09 0.00 -0.50 0.00 0.00 59.36 59.06 1nf0 h GLU 179 Cb 0.81 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.61 1nf0 h GLU 179 CO -0.46 0.75 -0.13 -0.44 -1.40 0.00 0.00 179.01 177.34 1nf0 h ASP 180 N 0.62 0.78 -0.49 1.42 3.45 -1.77 -2.09 116.42 118.33 1nf0 h ASP 180 Ca 0.14 -0.38 0.08 0.00 0.43 0.00 0.00 57.03 57.30 1nf0 h ASP 180 Cb 0.35 -0.21 -0.06 0.00 -0.56 0.00 0.00 39.33 38.84 1nf0 h ASP 180 CO 0.01 0.98 0.12 0.00 -1.57 0.00 0.00 179.24 178.78 1nf0 h ALA 181 N 0.82 0.57 -0.12 3.45 0.00 -0.90 0.37 119.26 123.44 1nf0 h ALA 181 Ca 0.09 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1nf0 h ALA 181 Cb 0.66 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1nf0 h ALA 181 CO 0.04 -0.28 -0.09 0.37 0.00 0.00 0.00 179.25 179.29 1nf0 h GLN 182 N 0.27 -0.10 -0.04 0.00 5.75 -1.05 0.54 115.11 120.48 1nf0 h GLN 182 Ca 0.24 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.75 1nf0 h GLN 182 Cb 0.31 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.88 1nf0 h GLN 182 CO -0.30 -0.07 0.02 -0.44 -2.65 0.00 0.00 178.83 175.39 1nf0 h ASP 183 N -0.10 0.06 -0.66 -0.69 3.32 -0.60 0.27 116.42 118.01 1nf0 h ASP 183 Ca 0.08 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 56.97 1nf0 h ASP 183 Cb 0.22 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1nf0 h ASP 183 CO -0.19 0.21 0.43 0.40 -1.72 0.00 0.00 179.24 178.37 1nf0 h ILE 184 N -0.10 1.16 -0.82 0.35 2.04 -0.83 -1.43 117.51 117.88 1nf0 h ILE 184 Ca 0.01 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.59 1nf0 h ILE 184 Cb 0.17 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 1nf0 h ILE 184 CO -0.00 0.16 0.53 0.45 0.00 0.00 0.00 178.15 179.29 1nf0 h HIS 185 N 0.89 1.00 -0.29 1.37 3.86 0.45 0.16 115.15 122.58 1nf0 h HIS 185 Ca 0.24 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.40 1nf0 h HIS 185 Cb -0.09 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.03 1nf0 h HIS 185 CO -0.03 0.60 -0.15 0.00 0.86 0.00 0.00 177.93 179.21 1nf0 h ALA 186 N 1.33 1.20 -0.49 2.45 0.00 -0.65 -1.23 119.26 121.87 1nf0 h ALA 186 Ca 0.32 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1nf0 h ALA 186 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1nf0 h ALA 186 CO -0.10 0.52 -0.20 0.77 0.00 0.00 0.00 179.25 180.24 1nf0 h SER 187 N 0.47 1.03 -0.31 0.00 0.02 -0.25 -1.64 113.55 112.86 1nf0 h SER 187 Ca 0.08 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 1nf0 h SER 187 Cb 0.54 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1nf0 h SER 187 CO 0.03 1.19 0.16 0.40 -1.14 0.00 0.00 176.83 177.48 1nf0 h ILE 188 N 0.87 1.14 -0.65 3.27 2.04 -0.48 -1.08 117.51 122.62 1nf0 h ILE 188 Ca 0.11 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1nf0 h ILE 188 Cb 0.78 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1nf0 h ILE 188 CO 0.06 0.14 0.23 -0.09 0.00 0.00 0.00 178.15 178.49 1nf0 h ARG 189 N 0.38 0.97 -0.16 2.37 2.43 -1.11 0.20 114.38 119.45 1nf0 h ARG 189 Ca 0.11 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1nf0 h ARG 189 Cb 0.08 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1nf0 h ARG 189 CO -0.02 0.82 -0.05 -0.22 -1.51 0.00 0.00 179.97 178.99 1nf0 h LYS 190 N 0.95 0.32 0.02 0.20 3.64 -1.19 0.19 116.57 120.70 1nf0 h LYS 190 Ca 0.22 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1nf0 h LYS 190 Cb 0.23 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 1nf0 h LYS 190 CO -0.01 0.60 -0.15 0.35 -2.27 0.00 0.00 179.45 177.97 1nf0 h PHE 191 N 0.01 -0.38 0.00 1.91 3.57 -0.89 -2.29 116.94 118.88 1nf0 h PHE 191 Ca 0.04 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1nf0 h PHE 191 Cb 0.49 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 1nf0 h PHE 191 CO 0.06 -0.22 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.79 1nf0 h LEU 192 N -0.25 0.00 -1.18 0.59 3.38 -0.55 -0.37 115.31 116.93 1nf0 h LEU 192 Ca 0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1nf0 h LEU 192 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1nf0 h LEU 192 CO -0.13 0.06 -0.36 0.00 0.09 0.00 0.00 178.44 178.10 1nf0 h ALA 193 N 1.94 1.18 0.00 1.53 0.00 -0.40 -0.87 119.26 122.64 1nf0 h ALA 193 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1nf0 h ALA 193 Cb 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1nf0 h ALA 193 CO 0.01 0.46 -0.06 0.66 0.00 0.00 0.00 179.25 180.31 1nf0 h SER 194 N 0.00 0.00 0.00 0.00 4.64 -0.66 -0.69 113.55 116.84 1nf0 h SER 194 Ca -0.00 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.89 1nf0 h SER 194 Cb 0.75 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.77 1nf0 h SER 194 CO 0.05 0.06 -2.47 0.29 -0.87 0.00 0.00 176.83 173.89 1nf0 n LYS 195 N -3.24 0.61 -0.00 4.77 4.76 -0.82 -4.63 118.16 119.61 1nf0 n LYS 195 Ca -0.00 0.23 0.10 0.00 -2.87 0.00 0.00 58.31 55.77 1nf0 n LYS 195 Cb 0.28 -1.51 -0.12 0.00 -1.84 0.00 0.00 35.03 31.83 1nf0 n LYS 195 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1nf0 n LEU 196 N -3.89 0.87 0.00 -0.35 4.77 -0.39 -5.09 117.00 112.92 1nf0 n LEU 196 Ca -0.51 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 1nf0 n LEU 196 Cb 0.92 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 1nf0 n LEU 196 CO 0.13 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1nf0 n GLY 197 N 1.47 2.20 0.31 -0.72 0.00 -0.27 -4.36 105.19 103.82 1nf0 n GLY 197 Ca 0.03 -1.66 0.08 0.00 0.00 0.00 0.00 46.02 44.47 1nf0 n GLY 197 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nf0 h ASP 198 N 0.00 0.55 -0.06 1.61 3.32 -1.90 -1.67 116.42 118.27 1nf0 h ASP 198 Ca 0.00 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1nf0 h ASP 198 Cb 0.00 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1nf0 h ASP 198 CO 0.00 0.22 0.02 0.50 -1.72 0.00 0.00 179.24 178.27 1nf0 h LYS 199 N 0.64 0.08 -0.69 3.56 1.63 -1.93 -1.22 116.57 118.65 1nf0 h LYS 199 Ca 0.48 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.24 1nf0 h LYS 199 Cb 0.69 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.27 1nf0 h LYS 199 CO -0.37 0.22 0.34 0.00 -3.45 0.00 0.00 179.45 176.19 1nf0 h ALA 200 N 0.86 0.88 -0.73 5.00 0.00 -1.69 -2.56 119.26 121.02 1nf0 h ALA 200 Ca 0.02 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.93 1nf0 h ALA 200 Cb 0.17 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 17.59 1nf0 h ALA 200 CO -0.00 0.43 0.29 0.00 0.00 0.00 0.00 179.25 179.97 1nf0 h ALA 201 N 1.16 1.02 0.00 0.00 0.00 -1.15 -0.29 119.26 120.00 1nf0 h ALA 201 Ca 0.24 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1nf0 h ALA 201 Cb 0.10 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1nf0 h ALA 201 CO -0.03 -0.20 -0.25 0.66 0.00 0.00 0.00 179.25 179.42 1nf0 h SER 202 N 0.44 0.00 0.03 0.00 4.64 -0.85 -3.12 113.55 114.69 1nf0 h SER 202 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1nf0 h SER 202 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1nf0 h SER 202 CO -0.39 0.25 -0.79 -0.62 -0.87 0.00 0.00 176.83 174.41 1nf0 n GLU 203 N -3.64 0.38 -2.70 4.77 1.02 -0.24 -4.73 120.64 115.49 1nf0 n GLU 203 Ca -0.01 -0.30 -0.43 0.00 -0.02 0.00 0.00 57.16 56.40 1nf0 n GLU 203 Cb 0.38 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.28 1nf0 n GLU 203 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1nf0 s LEU 204 N -2.83 4.17 0.07 -4.62 2.96 -0.48 -4.78 118.68 113.16 1nf0 s LEU 204 Ca 0.12 1.42 -0.31 0.00 -0.22 0.00 0.00 54.13 55.14 1nf0 s LEU 204 Cb 0.17 -3.51 -0.06 0.00 0.50 0.00 0.00 46.19 43.28 1nf0 s LEU 204 CO 0.76 -0.55 1.30 -0.13 -1.32 0.00 0.00 176.35 176.42 1nf0 s ARG 205 N 2.59 4.36 -0.27 1.98 3.00 -1.26 -5.00 118.95 124.35 1nf0 s ARG 205 Ca 0.45 1.91 0.01 0.00 0.00 0.00 0.00 55.73 58.10 1nf0 s ARG 205 Cb -0.17 -3.35 0.05 0.00 0.00 0.00 0.00 34.95 31.49 1nf0 s ARG 205 CO 0.12 -0.38 -0.08 0.42 0.00 0.00 0.00 175.30 175.38 1nf0 s ILE 206 N 1.32 2.46 0.25 1.52 1.01 -1.26 -1.88 121.20 124.62 1nf0 s ILE 206 Ca 0.62 -1.52 -0.12 0.00 0.00 0.00 0.00 60.65 59.63 1nf0 s ILE 206 Cb -0.32 -2.42 -0.08 0.00 0.01 0.00 0.00 42.46 39.65 1nf0 s ILE 206 CO 0.29 -0.03 0.61 -0.76 0.00 0.00 0.00 174.94 175.05 1nf0 s LEU 207 N 1.16 4.15 -0.06 2.97 1.43 0.89 -1.68 118.68 127.55 1nf0 s LEU 207 Ca -0.07 1.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.95 1nf0 s LEU 207 Cb -0.20 -3.77 -0.05 0.00 0.03 0.00 0.00 46.19 42.20 1nf0 s LEU 207 CO -0.04 -0.10 0.32 -0.47 0.23 0.00 0.00 176.35 176.29 1nf0 s TYR 208 N -1.84 3.65 0.04 0.29 5.04 -0.19 -1.26 117.35 123.09 1nf0 s TYR 208 Ca 0.49 0.81 0.01 0.00 -2.44 0.00 0.00 57.07 55.94 1nf0 s TYR 208 Cb -0.11 -2.20 -0.03 0.00 0.35 0.00 0.00 41.96 39.97 1nf0 s TYR 208 CO 0.20 0.61 -0.06 0.20 -1.34 0.00 0.00 175.55 175.16 1nf0 s GLY 209 N -0.83 0.45 0.00 8.97 0.00 -0.49 -1.58 107.32 113.83 1nf0 s GLY 209 Ca 0.20 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1nf0 s GLY 209 CO 0.09 -0.89 0.00 0.61 0.00 0.00 0.00 173.10 172.91 1nf0 n GLY 210 N 1.20 1.51 2.36 0.20 0.00 -1.26 -3.78 105.19 105.42 1nf0 n GLY 210 Ca -0.21 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 1nf0 n GLY 210 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nf0 n SER 211 N 0.00 -5.00 -4.73 1.61 7.64 -1.09 -4.23 113.62 107.83 1nf0 n SER 211 Ca 0.00 0.08 -0.42 0.00 1.01 0.00 0.00 58.87 59.54 1nf0 n SER 211 Cb 0.00 -4.07 -0.03 0.00 -1.01 0.00 0.00 64.21 59.10 1nf0 n SER 211 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nf0 s ALA 212 N -2.80 3.66 0.34 -0.43 0.00 -1.26 -4.50 121.76 116.78 1nf0 s ALA 212 Ca 0.00 1.26 0.03 0.00 0.00 0.00 0.00 51.96 53.25 1nf0 s ALA 212 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 1nf0 s ALA 212 CO 0.00 -0.70 0.39 0.27 0.00 0.00 0.00 175.76 175.72 1nf0 n ASN 213 N 3.39 -1.04 0.23 0.00 0.23 -1.26 -4.61 115.26 112.21 1nf0 n ASN 213 Ca 0.10 -3.05 0.09 0.00 -0.53 0.00 0.00 54.58 51.20 1nf0 n ASN 213 Cb 0.40 2.12 0.57 0.00 -2.08 0.00 0.00 39.78 40.79 1nf0 n ASN 213 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1nf0 h GLY 214 N 2.02 0.00 0.54 4.83 0.00 -1.95 -1.42 103.07 107.09 1nf0 h GLY 214 Ca -0.25 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 1nf0 h GLY 214 CO 0.36 0.00 -0.57 0.23 0.00 0.00 0.00 176.54 176.56 1nf0 h SER 215 N 0.00 0.36 0.15 0.19 0.87 -1.96 -3.38 113.55 109.78 1nf0 h SER 215 Ca -0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 1nf0 h SER 215 Cb 0.49 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1nf0 h SER 215 CO 0.03 1.25 -0.78 -0.46 -0.53 0.00 0.00 176.83 176.34 1nf0 n ASN 216 N -4.27 0.95 -0.34 6.23 0.23 -1.15 -4.35 115.26 112.55 1nf0 n ASN 216 Ca -0.12 -0.83 0.04 0.00 -0.53 0.00 0.00 54.58 53.13 1nf0 n ASN 216 Cb 0.70 0.71 0.19 0.00 -2.08 0.00 0.00 39.78 39.30 1nf0 n ASN 216 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1nf0 h ALA 217 N 3.11 1.35 0.00 -2.53 0.00 -1.44 0.09 119.26 119.84 1nf0 h ALA 217 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1nf0 h ALA 217 Cb 0.52 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1nf0 h ALA 217 CO 0.00 0.27 -0.08 -0.24 0.00 0.00 0.00 179.25 179.20 1nf0 h VAL 218 N 1.00 0.32 0.00 0.00 3.04 -1.83 -1.90 116.25 116.89 1nf0 h VAL 218 Ca 0.44 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1nf0 h VAL 218 Cb 0.32 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.98 1nf0 h VAL 218 CO -0.22 0.08 0.00 0.35 -1.01 0.00 0.00 177.57 176.77 1nf0 n THR 219 N -3.37 0.91 -0.56 3.17 -2.24 0.02 -1.95 114.28 110.25 1nf0 n THR 219 Ca -0.01 0.23 0.09 0.00 -2.27 0.00 0.00 64.05 62.09 1nf0 n THR 219 Cb 0.25 -0.98 0.32 0.00 -2.10 0.00 0.00 70.33 67.83 1nf0 n THR 219 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1nf0 n PHE 220 N -1.45 1.25 0.21 4.78 3.72 -0.71 -4.69 117.46 120.58 1nf0 n PHE 220 Ca 0.04 -0.60 0.09 0.00 -0.05 0.00 0.00 57.45 56.94 1nf0 n PHE 220 Cb 0.15 -0.19 0.41 0.00 -0.94 0.00 0.00 39.48 38.92 1nf0 n PHE 220 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1nf0 h LYS 221 N 3.71 0.00 -0.58 -1.08 2.10 -1.53 -2.89 116.57 116.30 1nf0 h LYS 221 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1nf0 h LYS 221 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1nf0 h LYS 221 CO 0.17 0.24 0.00 -0.25 -2.00 0.00 0.00 179.45 177.61 1nf0 n ASP 222 N -3.37 5.04 -4.37 7.07 8.00 -1.26 -4.86 116.55 122.80 1nf0 n ASP 222 Ca 0.00 -2.68 -0.45 0.00 0.71 0.00 0.00 54.79 52.38 1nf0 n ASP 222 Cb 0.46 -0.61 -0.07 0.00 -0.02 0.00 0.00 41.12 40.88 1nf0 n ASP 222 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1nf0 s LYS 223 N -2.27 2.98 0.53 -1.24 -0.14 -1.09 -4.93 119.74 113.57 1nf0 s LYS 223 Ca 0.51 -1.43 0.30 0.00 -1.36 0.00 0.00 55.97 54.00 1nf0 s LYS 223 Cb 0.36 -4.17 1.43 0.00 -1.68 0.00 0.00 37.83 33.78 1nf0 s LYS 223 CO 0.20 -1.09 2.03 0.00 -0.76 0.00 0.00 175.35 175.73 1nf0 h ALA 224 N 8.78 1.13 -0.15 5.17 0.00 -1.89 -1.73 119.26 130.57 1nf0 h ALA 224 Ca -0.29 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1nf0 h ALA 224 Cb 1.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1nf0 h ALA 224 CO 0.91 0.13 0.00 -0.25 0.00 0.00 0.00 179.25 180.04 1nf0 n ASP 225 N -3.39 2.93 -4.42 0.00 9.92 -1.26 -4.77 116.55 115.56 1nf0 n ASP 225 Ca -0.01 -1.93 -0.41 0.00 -0.53 0.00 0.00 54.79 51.91 1nf0 n ASP 225 Cb 0.28 -0.09 -0.11 0.00 -0.64 0.00 0.00 41.12 40.56 1nf0 n ASP 225 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1nf0 s VAL 226 N -1.83 4.78 -1.97 2.53 1.01 -0.65 -4.65 120.40 119.62 1nf0 s VAL 226 Ca 0.33 -0.68 0.19 0.00 0.00 0.00 0.00 61.98 61.82 1nf0 s VAL 226 Cb 0.21 -3.60 0.40 0.00 0.00 0.00 0.00 36.38 33.38 1nf0 s VAL 226 CO 0.31 -0.17 1.33 0.47 0.00 0.00 0.00 175.10 177.04 1nf0 n ASP 227 N 5.04 3.27 0.00 3.32 10.43 -0.68 -4.85 116.55 133.08 1nf0 n ASP 227 Ca -0.12 -1.93 0.00 0.00 2.57 0.00 0.00 54.79 55.30 1nf0 n ASP 227 Cb 0.47 -0.26 0.00 0.00 1.84 0.00 0.00 41.12 43.17 1nf0 n ASP 227 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1nf0 n GLY 228 N 1.24 -0.16 3.00 0.44 0.00 -1.26 -1.99 105.19 106.47 1nf0 n GLY 228 Ca 0.17 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 1nf0 n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nf0 s PHE 229 N -2.93 0.24 -0.34 1.61 0.08 -0.46 -1.02 117.98 115.17 1nf0 s PHE 229 Ca 0.00 -0.51 -0.08 0.00 0.12 0.00 0.00 56.93 56.46 1nf0 s PHE 229 Cb 0.00 -0.18 0.03 0.00 -0.57 0.00 0.00 43.02 42.30 1nf0 s PHE 229 CO 0.00 -0.22 0.13 -1.17 -0.10 0.00 0.00 175.22 173.86 1nf0 s LEU 230 N -1.54 4.33 -0.21 -0.37 2.96 -0.62 -0.23 118.68 123.01 1nf0 s LEU 230 Ca -0.14 -0.99 -0.09 0.00 -0.22 0.00 0.00 54.13 52.68 1nf0 s LEU 230 Cb -0.09 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1nf0 s LEU 230 CO -0.01 -0.31 0.11 -0.69 -1.32 0.00 0.00 176.35 174.13 1nf0 s VAL 231 N 1.47 5.08 0.00 1.68 1.01 0.23 -4.12 120.40 125.75 1nf0 s VAL 231 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1nf0 s VAL 231 Cb -0.19 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1nf0 s VAL 231 CO 0.04 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1nf0 n GLY 232 N 3.88 0.00 0.37 4.51 0.00 -1.26 -0.50 105.19 112.18 1nf0 n GLY 232 Ca -0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.90 1nf0 n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nf0 h GLY 233 N 0.00 1.45 2.00 -0.02 0.00 -1.92 0.94 103.07 105.53 1nf0 h GLY 233 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1nf0 h GLY 233 CO 0.00 0.28 0.00 0.00 0.00 0.00 0.00 176.54 176.82 1nf0 n ALA 234 N -2.38 1.53 0.38 3.60 0.00 -1.26 -2.01 120.51 120.37 1nf0 n ALA 234 Ca 0.15 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.80 1nf0 n ALA 234 Cb 0.23 -1.33 0.53 0.00 0.00 0.00 0.00 19.45 18.89 1nf0 n ALA 234 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nf0 h SER 235 N 0.00 0.00 0.17 0.00 4.64 -1.02 -2.58 113.55 114.77 1nf0 h SER 235 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nf0 h SER 235 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1nf0 h SER 235 CO 0.00 0.00 -0.05 0.18 -0.87 0.00 0.00 176.83 176.09 1nf0 n LEU 236 N -2.43 0.54 -4.42 5.97 4.77 -0.85 -4.88 117.00 115.70 1nf0 n LEU 236 Ca 0.02 -0.10 -0.23 0.00 -0.03 0.00 0.00 56.01 55.67 1nf0 n LEU 236 Cb 0.25 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 1nf0 n LEU 236 CO 0.22 0.09 -0.47 -0.54 -1.33 0.00 0.00 177.39 175.36 1nf0 s LYS 237 N -2.22 1.54 0.43 3.23 1.02 -0.97 -4.99 119.74 117.79 1nf0 s LYS 237 Ca 0.37 -1.67 0.18 0.00 0.02 0.00 0.00 55.97 54.86 1nf0 s LYS 237 Cb 0.21 -1.58 1.10 0.00 -0.52 0.00 0.00 37.83 37.05 1nf0 s LYS 237 CO 0.41 0.29 1.90 -1.35 -0.92 0.00 0.00 175.35 175.68 1nf0 h PRO 238 N 2.50 0.36 0.00 -1.68 0.11 -1.92 -1.99 132.00 129.38 1nf0 h PRO 238 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1nf0 h PRO 238 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1nf0 h PRO 238 CO 0.59 0.24 0.00 -0.85 -0.21 0.00 0.00 178.00 177.76 1nf0 n GLU 239 N -4.47 0.02 -0.20 1.05 0.28 -1.26 -1.70 120.64 114.35 1nf0 n GLU 239 Ca 0.16 0.36 0.14 0.00 -0.16 0.00 0.00 57.16 57.65 1nf0 n GLU 239 Cb 0.62 -1.50 0.45 0.00 1.43 0.00 0.00 31.44 32.45 1nf0 n GLU 239 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1nf0 h PHE 240 N 0.00 0.61 -0.54 -1.84 3.57 -1.41 -0.77 116.94 116.56 1nf0 h PHE 240 Ca 0.00 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 1nf0 h PHE 240 Cb 0.11 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1nf0 h PHE 240 CO 0.00 0.24 -0.09 0.28 -2.23 0.00 0.00 178.31 176.51 1nf0 h VAL 241 N 0.53 1.27 -0.15 1.41 2.07 -1.56 -2.11 116.25 117.71 1nf0 h VAL 241 Ca 0.39 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1nf0 h VAL 241 Cb 0.77 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1nf0 h VAL 241 CO -0.15 0.44 0.05 0.44 0.02 0.00 0.00 177.57 178.38 1nf0 h ASP 242 N 0.89 0.18 -0.16 0.57 3.45 -1.31 -1.75 116.42 118.29 1nf0 h ASP 242 Ca 0.14 -0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.48 1nf0 h ASP 242 Cb 0.66 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.38 1nf0 h ASP 242 CO 0.05 0.17 -0.33 0.40 -1.57 0.00 0.00 179.24 177.95 1nf0 h ILE 243 N 0.20 1.35 -0.07 0.35 2.04 -0.87 -2.50 117.51 118.02 1nf0 h ILE 243 Ca 0.05 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 1nf0 h ILE 243 Cb 0.05 1.97 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1nf0 h ILE 243 CO -0.01 0.48 0.01 0.40 0.00 0.00 0.00 178.15 179.03 1nf0 h ILE 244 N 0.14 1.04 -0.57 -0.67 2.04 -1.18 -1.81 117.51 116.51 1nf0 h ILE 244 Ca 0.00 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1nf0 h ILE 244 Cb 0.93 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1nf0 h ILE 244 CO 0.07 0.05 0.00 0.59 0.00 0.00 0.00 178.15 178.86 1nf0 n ASN 245 N -4.49 3.89 0.04 1.72 5.03 -0.68 -4.54 115.26 116.24 1nf0 n ASN 245 Ca -0.02 -2.28 0.12 0.00 0.87 0.00 0.00 54.58 53.27 1nf0 n ASN 245 Cb 0.11 -0.50 0.48 0.00 -1.02 0.00 0.00 39.78 38.85 1nf0 n ASN 245 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1nf0 n SER 246 N 1.02 0.27 -0.54 6.41 3.41 -0.68 -2.31 113.62 121.21 1nf0 n SER 246 Ca 0.22 0.54 0.07 0.00 -0.26 0.00 0.00 58.87 59.44 1nf0 n SER 246 Cb 0.71 -0.61 0.19 0.00 -0.26 0.00 0.00 64.21 64.25 1nf0 n SER 246 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1nf0 n ARG 247 N -1.77 1.90 0.00 4.33 1.74 -1.26 -4.68 116.66 116.91 1nf0 n ARG 247 Ca 0.05 -2.83 0.06 0.00 -0.77 0.00 0.00 57.85 54.36 1nf0 n ARG 247 Cb 0.30 -1.66 0.38 0.00 -1.02 0.00 0.00 32.46 30.46 1nf0 n ARG 247 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20