#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf0 s ARG 3 N 0.00 3.78 0.04 0.00 0.52 -1.26 -5.06 118.95 116.97 1nf0 s ARG 3 Ca 0.00 0.09 -0.30 0.00 -0.52 0.00 0.00 55.73 54.99 1nf0 s ARG 3 Cb 0.00 -3.25 -0.07 0.00 0.52 0.00 0.00 34.95 32.15 1nf0 s ARG 3 CO 0.00 0.63 1.52 0.99 0.02 0.00 0.00 175.30 178.46 1nf0 s THR 4 N -0.71 3.38 0.19 0.02 2.01 -1.26 -4.96 115.64 114.31 1nf0 s THR 4 Ca 0.18 0.80 -0.33 0.00 0.31 0.00 0.00 61.69 62.65 1nf0 s THR 4 Cb -0.14 -3.52 -0.13 0.00 0.01 0.00 0.00 72.50 68.72 1nf0 s THR 4 CO 0.07 -0.00 1.62 0.33 -0.69 0.00 0.00 174.62 175.95 1nf0 n PHE 5 N 5.44 2.45 -4.68 4.92 7.35 -1.26 -4.86 117.46 126.81 1nf0 n PHE 5 Ca 0.14 0.20 -0.27 0.00 -0.76 0.00 0.00 57.45 56.76 1nf0 n PHE 5 Cb 0.42 -2.59 -0.17 0.00 0.35 0.00 0.00 39.48 37.50 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 0.91 1.84 -0.22 -5.13 2.19 -0.97 -1.47 117.98 115.15 1nf0 s PHE 6 Ca 0.76 -0.76 0.01 0.00 0.33 0.00 0.00 56.93 57.27 1nf0 s PHE 6 Cb -0.61 -1.31 0.05 0.00 -1.31 0.00 0.00 43.02 39.84 1nf0 s PHE 6 CO 0.37 -0.37 -0.06 0.08 1.83 0.00 0.00 175.22 177.07 1nf0 s VAL 7 N 0.70 1.48 0.03 3.12 1.01 -0.14 -1.84 120.40 124.77 1nf0 s VAL 7 Ca -0.13 -1.08 -0.05 0.00 0.00 0.00 0.00 61.98 60.72 1nf0 s VAL 7 Cb -0.16 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 1nf0 s VAL 7 CO 0.03 -0.01 0.26 -0.83 0.00 0.00 0.00 175.10 174.56 1nf0 s GLY 8 N 1.44 2.23 -0.25 4.51 0.00 0.75 -1.27 107.32 114.72 1nf0 s GLY 8 Ca -0.04 -0.63 0.02 0.00 0.00 0.00 0.00 44.72 44.07 1nf0 s GLY 8 CO -0.07 -0.50 -0.10 -0.32 0.00 0.00 0.00 173.10 172.12 1nf0 s GLY 9 N -1.94 1.56 -0.61 0.20 0.00 0.62 0.36 107.32 107.52 1nf0 s GLY 9 Ca 0.30 -1.66 -0.19 0.00 0.00 0.00 0.00 44.72 43.17 1nf0 s GLY 9 CO 0.19 0.68 0.74 0.21 0.00 0.00 0.00 173.10 174.93 1nf0 s ASN 10 N 1.18 6.19 0.37 1.64 2.47 -0.10 0.52 114.94 127.20 1nf0 s ASN 10 Ca -0.08 -1.39 0.27 0.00 0.42 0.00 0.00 52.86 52.09 1nf0 s ASN 10 Cb -0.20 -2.32 1.24 0.00 -1.45 0.00 0.00 41.25 38.52 1nf0 s ASN 10 CO -0.05 -1.16 1.82 -0.26 -3.72 0.00 0.00 177.10 173.72 1nf0 h PHE 11 N 9.23 0.00 -0.23 0.43 -1.00 -1.71 -3.41 116.94 120.25 1nf0 h PHE 11 Ca -0.29 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.49 1nf0 h PHE 11 Cb 1.08 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.64 1nf0 h PHE 11 CO 0.86 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 179.19 1nf0 n LYS 12 N -2.49 0.00 -1.91 1.51 5.02 -1.26 -3.46 118.16 115.56 1nf0 n LYS 12 Ca 0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1nf0 n LYS 12 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 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 6.72 -3.75 -0.35 7.94 -1.26 -4.36 117.00 121.94 1nf0 n LEU 13 Ca 0.00 -4.24 -0.13 0.00 -1.11 0.00 0.00 56.01 50.53 1nf0 n LEU 13 Cb 0.00 -1.63 -0.11 0.00 0.53 0.00 0.00 43.42 42.22 1nf0 n LEU 13 CO 0.00 1.12 0.03 0.20 -1.11 0.00 0.00 177.39 177.63 1nf0 s ASN 14 N 2.75 -0.38 0.00 1.96 0.01 -1.23 -5.13 114.94 112.92 1nf0 s ASN 14 Ca 0.46 0.73 0.00 0.00 -0.71 0.00 0.00 52.86 53.33 1nf0 s ASN 14 Cb 0.12 0.73 0.00 0.00 0.41 0.00 0.00 41.25 42.52 1nf0 s ASN 14 CO -0.06 -0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.01 1nf0 n GLY 15 N 2.91 4.31 3.50 0.66 0.00 -1.26 -4.55 105.19 110.75 1nf0 n GLY 15 Ca -0.13 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.19 0.33 1.61 1.04 -1.26 -4.99 113.70 110.24 1nf0 s SER 16 Ca 0.00 -0.58 0.06 0.00 0.48 0.00 0.00 55.95 55.91 1nf0 s SER 16 Cb 0.00 0.55 0.72 0.00 0.10 0.00 0.00 66.02 67.40 1nf0 s SER 16 CO 0.00 -1.03 1.87 0.11 0.98 0.00 0.00 173.24 175.17 1nf0 h LYS 17 N 2.26 0.78 0.51 4.02 1.57 -1.99 -0.94 116.57 122.78 1nf0 h LYS 17 Ca -0.29 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.42 1nf0 h LYS 17 Cb 1.25 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 33.39 1nf0 h LYS 17 CO 0.39 0.52 -0.25 1.96 -0.57 0.00 0.00 179.45 181.50 1nf0 h GLN 18 N 0.80 -0.67 -0.46 3.15 4.20 -2.00 -1.88 115.11 118.26 1nf0 h GLN 18 Ca 0.44 0.05 -0.07 0.00 0.06 0.00 0.00 58.65 59.13 1nf0 h GLN 18 Cb 0.57 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 1nf0 h GLN 18 CO -0.20 -0.39 0.00 0.66 -0.67 0.00 0.00 178.83 178.23 1nf0 h SER 19 N -0.80 0.72 -0.93 1.46 4.64 -1.83 -1.60 113.55 115.21 1nf0 h SER 19 Ca -0.07 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1nf0 h SER 19 Cb 0.58 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.43 1nf0 h SER 19 CO 0.12 0.79 0.54 0.40 -0.87 0.00 0.00 176.83 177.81 1nf0 h ILE 20 N 0.71 1.26 -0.44 0.95 5.03 -1.12 -0.05 117.51 123.85 1nf0 h ILE 20 Ca 0.14 -0.59 -0.00 0.00 -0.12 0.00 0.00 64.86 64.29 1nf0 h ILE 20 Cb 0.43 -0.03 -0.02 0.00 -3.03 0.00 0.00 36.82 34.16 1nf0 h ILE 20 CO 0.02 0.28 0.26 0.50 -0.68 0.00 0.00 178.15 178.53 1nf0 h LYS 21 N 1.29 0.60 -0.25 2.37 3.64 -0.58 -1.41 116.57 122.22 1nf0 h LYS 21 Ca 0.33 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1nf0 h LYS 21 Cb -0.03 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1nf0 h LYS 21 CO -0.06 0.45 0.12 0.93 -2.27 0.00 0.00 179.45 178.61 1nf0 h GLU 22 N 0.59 0.24 -0.09 1.90 5.08 -0.58 -0.96 114.58 120.77 1nf0 h GLU 22 Ca 0.16 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1nf0 h GLU 22 Cb 0.00 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1nf0 h GLU 22 CO -0.03 0.16 0.05 0.82 -1.00 0.00 0.00 179.01 179.01 1nf0 h ILE 23 N 0.25 1.06 -0.14 3.13 2.04 -0.83 -2.60 117.51 120.43 1nf0 h ILE 23 Ca 0.11 -0.17 -0.16 0.00 1.00 0.00 0.00 64.86 65.65 1nf0 h ILE 23 Cb 0.04 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1nf0 h ILE 23 CO -0.08 0.05 -0.57 0.58 0.00 0.00 0.00 178.15 178.13 1nf0 h VAL 24 N 0.07 1.34 0.00 1.67 2.07 -1.19 -2.68 116.25 117.53 1nf0 h VAL 24 Ca 0.03 -1.86 -0.06 0.00 0.82 0.00 0.00 66.70 65.63 1nf0 h VAL 24 Cb 0.04 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1nf0 h VAL 24 CO -0.01 0.57 -0.29 1.05 0.02 0.00 0.00 177.57 178.91 1nf0 h GLU 25 N 0.33 0.00 0.08 1.57 4.11 -1.12 -1.06 114.58 118.49 1nf0 h GLU 25 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1nf0 h GLU 25 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1nf0 h GLU 25 CO 0.10 0.29 -0.04 -0.09 0.07 0.00 0.00 179.01 179.34 1nf0 h ARG 26 N 0.00 -0.11 -0.47 1.06 2.43 -1.39 -3.14 114.38 112.77 1nf0 h ARG 26 Ca -0.00 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1nf0 h ARG 26 Cb 1.06 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.59 1nf0 h ARG 26 CO 0.04 0.14 0.20 -0.07 -1.51 0.00 0.00 179.97 178.77 1nf0 h LEU 27 N -0.34 0.26 -0.68 3.80 3.38 -1.24 -2.89 115.31 117.59 1nf0 h LEU 27 Ca -0.01 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.15 1nf0 h LEU 27 Cb 0.29 -0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.93 1nf0 h LEU 27 CO 0.02 0.18 0.02 0.78 0.09 0.00 0.00 178.44 179.54 1nf0 h ASN 28 N 0.40 -0.27 -0.79 -0.43 2.35 -1.18 -2.04 115.58 113.62 1nf0 h ASN 28 Ca 0.21 0.17 -0.45 0.00 -0.55 0.00 0.00 56.30 55.68 1nf0 h ASN 28 Cb 0.17 0.29 -0.25 0.00 0.05 0.00 0.00 38.32 38.57 1nf0 h ASN 28 CO -0.18 -0.13 0.39 0.35 -1.65 0.00 0.00 177.43 176.21 1nf0 n THR 29 N -5.29 3.06 -3.93 2.81 -2.24 -1.19 -4.80 114.28 102.70 1nf0 n THR 29 Ca 0.11 -2.49 -0.30 0.00 -2.27 0.00 0.00 64.05 59.10 1nf0 n THR 29 Cb 0.41 -0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 68.01 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 -3.40 3.99 -0.22 6.98 0.00 -0.77 -5.05 121.76 123.30 1nf0 s ALA 30 Ca 0.54 -0.88 -0.25 0.00 0.00 0.00 0.00 51.96 51.37 1nf0 s ALA 30 Cb 0.46 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.76 1nf0 s ALA 30 CO 0.05 0.77 0.84 -1.12 0.00 0.00 0.00 175.76 176.29 1nf0 s SER 31 N -2.66 6.88 0.09 0.00 0.01 -1.26 -5.00 113.70 111.76 1nf0 s SER 31 Ca 0.35 1.09 0.02 0.00 1.31 0.00 0.00 55.95 58.72 1nf0 s SER 31 Cb -0.13 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 1nf0 s SER 31 CO 0.28 -0.48 -0.08 0.27 0.41 0.00 0.00 173.24 173.64 1nf0 s ILE 32 N 2.61 0.73 0.58 1.44 -4.36 -1.26 -4.96 121.20 115.98 1nf0 s ILE 32 Ca 0.36 -1.72 -0.20 0.00 -0.26 0.00 0.00 60.65 58.84 1nf0 s ILE 32 Cb -0.16 -1.42 -0.05 0.00 1.25 0.00 0.00 42.46 42.09 1nf0 s ILE 32 CO 0.09 -0.71 1.09 -2.65 0.24 0.00 0.00 174.94 173.00 1nf0 n PRO 33 N 0.36 1.14 -0.32 0.37 -0.01 -1.26 -4.87 135.00 130.40 1nf0 n PRO 33 Ca -0.15 0.43 0.11 0.00 -0.01 0.00 0.00 63.50 63.88 1nf0 n PRO 33 Cb 0.59 -2.28 0.32 0.00 -0.01 0.00 0.00 33.50 32.12 1nf0 n PRO 33 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 1nf0 h GLU 34 N 0.80 0.78 -0.17 -0.52 4.39 -2.02 -3.24 114.58 114.61 1nf0 h GLU 34 Ca -0.49 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1nf0 h GLU 34 Cb 1.35 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1nf0 h GLU 34 CO 0.53 0.52 0.00 0.09 -1.16 0.00 0.00 179.01 178.99 1nf0 n ASN 35 N -4.61 2.34 -4.74 1.42 5.03 -1.26 -4.93 115.26 108.51 1nf0 n ASN 35 Ca 0.19 -1.73 -0.34 0.00 0.87 0.00 0.00 54.58 53.57 1nf0 n ASN 35 Cb 0.45 -0.11 0.07 0.00 -1.02 0.00 0.00 39.78 39.17 1nf0 n ASN 35 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1nf0 s VAL 36 N -0.90 2.63 -0.21 2.41 0.11 -1.22 -4.70 120.40 118.51 1nf0 s VAL 36 Ca 0.16 0.32 -0.03 0.00 -2.93 0.00 0.00 61.98 59.50 1nf0 s VAL 36 Cb 0.09 -2.90 -0.01 0.00 -1.53 0.00 0.00 36.38 32.04 1nf0 s VAL 36 CO 0.13 -0.16 -0.07 -1.61 -3.33 0.00 0.00 175.10 170.06 1nf0 s GLU 37 N -3.86 3.33 -0.11 1.54 2.02 -0.54 -4.70 118.70 116.38 1nf0 s GLU 37 Ca 0.73 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 55.07 1nf0 s GLU 37 Cb -0.27 -2.93 -0.02 0.00 0.10 0.00 0.00 34.13 31.01 1nf0 s GLU 37 CO 0.42 -0.17 -0.13 0.08 0.02 0.00 0.00 175.26 175.48 1nf0 s VAL 38 N 1.38 3.08 -0.17 2.63 1.01 0.10 -0.96 120.40 127.48 1nf0 s VAL 38 Ca 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1nf0 s VAL 38 Cb -0.14 -2.27 0.04 0.00 0.00 0.00 0.00 36.38 34.00 1nf0 s VAL 38 CO -0.04 0.54 -0.09 -0.69 0.00 0.00 0.00 175.10 174.82 1nf0 s VAL 39 N 0.05 1.39 -0.14 2.92 1.01 -0.40 -0.99 120.40 124.24 1nf0 s VAL 39 Ca -0.05 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.08 1nf0 s VAL 39 Cb -0.14 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 1nf0 s VAL 39 CO 0.04 0.24 0.27 0.27 0.00 0.00 0.00 175.10 175.92 1nf0 s ILE 40 N 1.53 5.31 -0.56 2.22 -4.36 -0.43 -0.28 121.20 124.63 1nf0 s ILE 40 Ca 0.01 0.51 0.04 0.00 -0.26 0.00 0.00 60.65 60.95 1nf0 s ILE 40 Cb -0.15 -3.60 0.14 0.00 1.25 0.00 0.00 42.46 40.11 1nf0 s ILE 40 CO -0.09 0.45 0.32 0.00 0.24 0.00 0.00 174.94 175.86 1nf0 s PRO 42 N -0.54 1.77 0.61 0.00 0.04 -1.24 -2.15 135.00 133.50 1nf0 s PRO 42 Ca 0.19 -0.35 -0.18 0.00 0.04 0.00 0.00 61.00 60.69 1nf0 s PRO 42 Cb -0.20 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1nf0 s PRO 42 CO -0.04 -1.56 1.07 -2.30 0.04 0.00 0.00 177.00 174.21 1nf0 n PRO 43 N -3.14 0.99 -0.28 0.56 -0.02 -1.26 -4.41 135.00 127.44 1nf0 n PRO 43 Ca 0.10 0.38 0.14 0.00 -2.02 0.00 0.00 63.50 62.11 1nf0 n PRO 43 Cb 0.60 -2.29 0.39 0.00 -0.02 0.00 0.00 33.50 32.19 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 0.54 1.88 -0.05 3.55 0.00 -1.95 0.93 119.26 124.16 1nf0 h ALA 44 Ca -0.49 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1nf0 h ALA 44 Cb 1.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1nf0 h ALA 44 CO 0.52 -0.16 0.28 1.15 0.00 0.00 0.00 179.25 181.04 1nf0 h THR 45 N 0.65 0.07 -0.10 0.00 2.02 -2.04 -2.50 112.91 111.01 1nf0 h THR 45 Ca 0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.66 1nf0 h THR 45 Cb 0.86 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1nf0 h THR 45 CO -0.23 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.44 1nf0 n TYR 46 N -3.06 0.14 -0.04 3.16 4.02 0.31 -4.79 117.16 116.90 1nf0 n TYR 46 Ca -0.01 -0.50 -0.10 0.00 -0.01 0.00 0.00 57.90 57.27 1nf0 n TYR 46 Cb 0.35 -0.04 -0.04 0.00 -0.02 0.00 0.00 39.34 39.58 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 0.60 0.22 0.07 7.72 3.38 -1.37 -0.06 115.31 125.86 1nf0 h LEU 47 Ca 0.00 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1nf0 h LEU 47 Cb 0.57 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1nf0 h LEU 47 CO 0.00 0.23 -0.03 -0.78 0.09 0.00 0.00 178.44 177.95 1nf0 h ASP 48 N 0.19 -0.08 -0.66 -0.43 -0.00 -1.84 -1.79 116.42 111.81 1nf0 h ASP 48 Ca 0.06 -0.23 0.06 0.00 -0.00 0.00 0.00 57.03 56.92 1nf0 h ASP 48 Cb 0.06 0.02 -0.05 0.00 -0.00 0.00 0.00 39.33 39.35 1nf0 h ASP 48 CO -0.01 0.19 0.36 0.22 -0.00 0.00 0.00 179.24 180.00 1nf0 h TYR 49 N -0.35 0.67 0.00 0.28 3.20 -1.87 -0.69 116.97 118.22 1nf0 h TYR 49 Ca -0.01 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1nf0 h TYR 49 Cb 0.30 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1nf0 h TYR 49 CO 0.01 0.32 -0.08 0.77 -1.64 0.00 0.00 178.16 177.55 1nf0 h SER 50 N 0.68 -0.23 -0.97 -2.11 0.02 -0.90 -1.99 113.55 108.04 1nf0 h SER 50 Ca 0.29 0.03 0.14 0.00 -0.84 0.00 0.00 61.79 61.42 1nf0 h SER 50 Cb 0.17 0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.73 1nf0 h SER 50 CO -0.18 -0.12 0.61 0.58 -1.14 0.00 0.00 176.83 176.59 1nf0 h VAL 51 N -0.14 0.85 0.00 2.27 2.07 -0.79 -1.57 116.25 118.95 1nf0 h VAL 51 Ca 0.03 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1nf0 h VAL 51 Cb 0.18 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1nf0 h VAL 51 CO -0.08 0.16 0.00 0.77 0.02 0.00 0.00 177.57 178.44 1nf0 h SER 52 N 0.86 0.00 0.31 0.57 4.64 -0.41 -3.03 113.55 116.48 1nf0 h SER 52 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1nf0 h SER 52 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1nf0 h SER 52 CO -0.27 0.00 -1.51 0.18 -0.87 0.00 0.00 176.83 174.36 1nf0 n LEU 53 N -2.84 0.39 -4.71 5.97 4.77 -0.61 -4.94 117.00 115.03 1nf0 n LEU 53 Ca 0.01 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.61 1nf0 n LEU 53 Cb 0.30 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1nf0 n LEU 53 CO 0.25 -0.02 1.04 -0.69 -1.33 0.00 0.00 177.39 176.65 1nf0 s VAL 54 N -3.38 3.43 -0.29 4.08 1.01 -1.08 -4.85 120.40 119.32 1nf0 s VAL 54 Ca -0.03 1.02 0.17 0.00 0.00 0.00 0.00 61.98 63.14 1nf0 s VAL 54 Cb 0.13 -3.65 0.48 0.00 0.00 0.00 0.00 36.38 33.34 1nf0 s VAL 54 CO 0.86 0.08 1.09 0.29 0.00 0.00 0.00 175.10 177.41 1nf0 n LYS 55 N 4.01 2.10 -3.67 2.72 4.76 -1.26 -5.04 118.16 121.78 1nf0 n LYS 55 Ca 0.11 -3.66 -0.17 0.00 -2.87 0.00 0.00 58.31 51.72 1nf0 n LYS 55 Cb 0.43 -1.71 -0.16 0.00 -1.84 0.00 0.00 35.03 31.75 1nf0 n LYS 55 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1nf0 s LYS 56 N -3.59 0.02 0.53 1.97 2.47 -1.26 -4.86 119.74 115.02 1nf0 s LYS 56 Ca 0.33 0.54 0.21 0.00 -1.56 0.00 0.00 55.97 55.50 1nf0 s LYS 56 Cb 0.38 -0.30 1.43 0.00 -1.46 0.00 0.00 37.83 37.88 1nf0 s LYS 56 CO -0.02 -0.31 2.15 -1.35 0.16 0.00 0.00 175.35 175.98 1nf0 h PRO 57 N 8.35 0.00 0.00 4.03 0.11 -1.97 -2.20 132.00 140.32 1nf0 h PRO 57 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1nf0 h PRO 57 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1nf0 h PRO 57 CO 0.15 0.04 0.00 1.04 -0.21 0.00 0.00 178.00 179.02 1nf0 n GLN 58 N -4.19 0.09 -3.97 1.05 3.00 -1.26 -4.76 117.38 107.34 1nf0 n GLN 58 Ca -0.03 0.21 -0.35 0.00 -0.01 0.00 0.00 57.00 56.82 1nf0 n GLN 58 Cb 0.13 -1.64 -0.12 0.00 0.00 0.00 0.00 30.24 28.60 1nf0 n GLN 58 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1nf0 s VAL 59 N -3.09 4.14 0.33 5.09 1.01 -0.83 0.03 120.40 127.07 1nf0 s VAL 59 Ca 0.09 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1nf0 s VAL 59 Cb 0.13 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1nf0 s VAL 59 CO 0.43 0.41 0.08 0.42 0.00 0.00 0.00 175.10 176.43 1nf0 s THR 60 N 1.12 0.96 -0.03 3.92 -4.23 -0.16 -4.81 115.64 112.41 1nf0 s THR 60 Ca 0.03 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.58 1nf0 s THR 60 Cb -0.14 -2.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.98 1nf0 s THR 60 CO 0.02 0.00 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.30 1nf0 s VAL 61 N -3.38 3.30 0.14 2.29 1.01 -1.26 -1.31 120.40 121.20 1nf0 s VAL 61 Ca 0.35 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.63 1nf0 s VAL 61 Cb 0.08 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1nf0 s VAL 61 CO 0.15 0.51 -0.13 -0.83 0.00 0.00 0.00 175.10 174.80 1nf0 s GLY 62 N -1.03 1.13 0.48 4.51 0.00 0.06 -0.30 107.32 112.17 1nf0 s GLY 62 Ca 0.14 -1.41 -0.02 0.00 0.00 0.00 0.00 44.72 43.42 1nf0 s GLY 62 CO 0.03 -1.49 0.74 0.00 0.00 0.00 0.00 173.10 172.38 1nf0 s ALA 63 N -2.64 3.56 -0.82 3.20 0.00 -0.07 -3.64 121.76 121.35 1nf0 s ALA 63 Ca 0.13 -0.84 0.23 0.00 0.00 0.00 0.00 51.96 51.49 1nf0 s ALA 63 Cb -0.02 -2.35 0.13 0.00 0.00 0.00 0.00 23.12 20.88 1nf0 s ALA 63 CO 0.03 -0.44 1.12 1.04 0.00 0.00 0.00 175.76 177.50 1nf0 n GLN 64 N -2.22 0.13 -3.60 0.00 6.02 -1.26 -0.31 117.38 116.14 1nf0 n GLN 64 Ca 0.01 -0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.96 1nf0 n GLN 64 Cb 0.57 -1.54 -0.02 0.00 1.02 0.00 0.00 30.24 30.26 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 -3.42 -0.13 0.25 1.08 2.47 -1.23 -4.47 114.94 109.48 1nf0 s ASN 65 Ca 0.07 0.03 -0.20 0.00 0.42 0.00 0.00 52.86 53.18 1nf0 s ASN 65 Cb 0.16 0.13 0.03 0.00 -1.45 0.00 0.00 41.25 40.12 1nf0 s ASN 65 CO 0.79 -0.21 0.65 0.00 -3.72 0.00 0.00 177.10 174.61 1nf0 s ALA 66 N -2.16 -1.14 0.76 1.71 0.00 -1.26 -4.65 121.76 115.03 1nf0 s ALA 66 Ca 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 51.96 51.79 1nf0 s ALA 66 Cb -0.01 0.88 0.14 0.00 0.00 0.00 0.00 23.12 24.13 1nf0 s ALA 66 CO -0.05 -0.94 0.95 0.98 0.00 0.00 0.00 175.76 176.71 1nf0 n TYR 67 N -0.42 -3.17 -0.17 0.00 9.36 0.11 -4.92 117.16 117.95 1nf0 n TYR 67 Ca -0.07 -1.49 0.10 0.00 3.32 0.00 0.00 57.90 59.77 1nf0 n TYR 67 Cb 0.61 -0.70 0.30 0.00 -0.63 0.00 0.00 39.34 38.91 1nf0 n TYR 67 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 1nf0 n LEU 68 N 0.00 3.71 -4.21 2.98 -0.00 -1.26 -4.73 117.00 113.49 1nf0 n LEU 68 Ca 0.15 -1.86 -0.15 0.00 -0.00 0.00 0.00 56.01 54.15 1nf0 n LEU 68 Cb 0.53 -0.46 -0.11 0.00 -0.00 0.00 0.00 43.42 43.38 1nf0 n LEU 68 CO 0.36 0.86 -0.42 -0.54 -0.00 0.00 0.00 177.39 177.66 1nf0 s LYS 69 N -1.24 0.93 0.17 1.47 1.02 -1.26 -4.89 119.74 115.94 1nf0 s LYS 69 Ca 0.45 -1.26 0.23 0.00 0.02 0.00 0.00 55.97 55.41 1nf0 s LYS 69 Cb 0.24 -0.60 0.10 0.00 -0.52 0.00 0.00 37.83 37.06 1nf0 s LYS 69 CO 0.29 0.09 1.12 0.00 -0.92 0.00 0.00 175.35 175.93 1nf0 h ALA 70 N 3.31 0.51 -2.86 5.17 0.00 -1.96 -3.43 119.26 120.00 1nf0 h ALA 70 Ca -0.37 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1nf0 h ALA 70 Cb 1.19 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 1nf0 h ALA 70 CO 0.56 0.00 -0.01 -1.54 0.00 0.00 0.00 179.25 178.26 1nf0 s SER 71 N -4.92 -0.20 0.00 0.00 1.04 -1.26 -4.69 113.70 103.67 1nf0 s SER 71 Ca 0.02 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1nf0 s SER 71 Cb 0.11 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1nf0 s SER 71 CO 0.77 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1nf0 n GLY 72 N -0.35 0.66 3.07 7.32 0.00 -1.26 -4.94 105.19 109.69 1nf0 n GLY 72 Ca -0.07 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 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 4.88 -3.34 4.61 0.00 -1.26 -4.74 120.51 119.66 1nf0 n ALA 73 Ca 0.00 -4.41 -0.26 0.00 0.00 0.00 0.00 53.44 48.77 1nf0 n ALA 73 Cb 0.00 -2.85 -0.08 0.00 0.00 0.00 0.00 19.45 16.52 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 3.78 0.63 -1.67 0.00 3.72 -1.26 -5.11 117.46 117.56 1nf0 n PHE 74 Ca 0.35 -3.69 -0.46 0.00 -0.05 0.00 0.00 57.45 53.60 1nf0 n PHE 74 Cb 0.38 -0.29 -0.04 0.00 -0.94 0.00 0.00 39.48 38.59 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 1.63 0.07 -0.11 4.37 -1.04 -1.26 -2.21 114.28 115.74 1nf0 n THR 75 Ca 0.25 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1nf0 n THR 75 Cb 0.48 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 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 3.31 1.00 3.93 3.41 0.00 -1.26 -5.06 105.19 110.52 1nf0 n GLY 76 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.63 3.00 0.21 1.61 0.41 -0.94 -5.10 118.70 117.26 1nf0 s GLU 77 Ca 0.00 -0.22 0.05 0.00 -0.41 0.00 0.00 54.97 54.39 1nf0 s GLU 77 Cb 0.00 -2.40 -0.03 0.00 -1.78 0.00 0.00 34.13 29.92 1nf0 s GLU 77 CO 0.00 -0.50 0.29 -0.80 -0.49 0.00 0.00 175.26 173.76 1nf0 s ASN 78 N -4.26 6.13 -0.04 -0.19 0.01 -1.26 -4.98 114.94 110.34 1nf0 s ASN 78 Ca 0.51 0.04 0.05 0.00 -0.71 0.00 0.00 52.86 52.75 1nf0 s ASN 78 Cb -0.10 -1.77 -0.01 0.00 0.41 0.00 0.00 41.25 39.78 1nf0 s ASN 78 CO 0.42 -0.02 -0.21 -0.55 -1.51 0.00 0.00 177.10 175.24 1nf0 s SER 79 N -3.65 2.53 0.50 -1.22 0.15 -1.26 -0.72 113.70 110.03 1nf0 s SER 79 Ca 0.34 -0.41 0.24 0.00 0.70 0.00 0.00 55.95 56.81 1nf0 s SER 79 Cb -0.10 -0.62 1.32 0.00 -1.71 0.00 0.00 66.02 64.91 1nf0 s SER 79 CO 0.28 0.20 2.04 -0.37 1.20 0.00 0.00 173.24 176.59 1nf0 h VAL 80 N 5.07 0.71 0.00 4.45 -1.51 -1.85 -1.09 116.25 122.03 1nf0 h VAL 80 Ca -0.34 -0.59 -0.13 0.00 -1.23 0.00 0.00 66.70 64.41 1nf0 h VAL 80 Cb 1.17 1.36 -0.02 0.00 -2.13 0.00 0.00 31.29 31.67 1nf0 h VAL 80 CO 0.48 0.14 -0.61 0.44 -1.23 0.00 0.00 177.57 176.78 1nf0 h ASP 81 N 0.00 0.00 -0.35 4.19 3.45 -1.93 -1.69 116.42 120.09 1nf0 h ASP 81 Ca -0.00 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.36 1nf0 h ASP 81 Cb 0.35 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.11 1nf0 h ASP 81 CO 0.02 0.61 -0.18 1.56 -1.57 0.00 0.00 179.24 179.69 1nf0 h GLN 82 N 0.00 0.75 -0.42 3.56 4.20 -1.57 -1.30 115.11 120.33 1nf0 h GLN 82 Ca -0.01 -0.33 0.05 0.00 0.06 0.00 0.00 58.65 58.42 1nf0 h GLN 82 Cb 1.11 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.82 1nf0 h GLN 82 CO 0.08 0.94 0.16 0.82 -0.67 0.00 0.00 178.83 180.16 1nf0 h ILE 83 N 0.53 0.88 -0.73 2.54 2.04 -1.13 -2.25 117.51 119.38 1nf0 h ILE 83 Ca 0.08 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1nf0 h ILE 83 Cb 0.72 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1nf0 h ILE 83 CO 0.05 0.06 0.33 0.11 0.00 0.00 0.00 178.15 178.70 1nf0 h LYS 84 N 0.33 1.07 -0.15 2.37 1.57 -1.26 -1.53 116.57 118.96 1nf0 h LYS 84 Ca 0.19 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1nf0 h LYS 84 Cb 0.17 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1nf0 h LYS 84 CO -0.19 0.86 0.04 0.22 -0.57 0.00 0.00 179.45 179.81 1nf0 h ASP 85 N 1.04 0.19 -0.33 0.86 3.58 -0.64 -1.68 116.42 119.43 1nf0 h ASP 85 Ca 0.25 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1nf0 h ASP 85 Cb 0.16 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1nf0 h ASP 85 CO -0.03 0.19 0.00 1.33 -2.88 0.00 0.00 179.24 177.86 1nf0 n VAL 86 N -4.45 0.43 -0.65 2.25 0.24 -1.05 -4.95 118.33 110.14 1nf0 n VAL 86 Ca -0.01 -0.66 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 1nf0 n VAL 86 Cb 0.13 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 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 1.43 0.61 3.88 7.63 0.00 -0.63 -4.71 105.19 113.39 1nf0 n GLY 87 Ca 0.19 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.59 -4.77 121.76 122.06 1nf0 s ALA 88 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1nf0 s ALA 88 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1nf0 s ALA 88 CO 0.00 -0.86 0.12 1.63 0.00 0.00 0.00 175.76 176.64 1nf0 n LYS 89 N -2.81 2.72 -4.20 0.00 4.76 0.59 -4.11 118.16 115.10 1nf0 n LYS 89 Ca 0.06 -0.12 -0.12 0.00 -2.87 0.00 0.00 58.31 55.27 1nf0 n LYS 89 Cb 0.56 -0.50 -0.10 0.00 -1.84 0.00 0.00 35.03 33.14 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 -0.42 1.10 -0.01 2.13 1.51 -1.20 -1.34 117.35 119.12 1nf0 s TYR 90 Ca 0.00 -1.27 -0.01 0.00 -1.01 0.00 0.00 57.07 54.78 1nf0 s TYR 90 Cb 0.00 -0.58 0.01 0.00 -0.11 0.00 0.00 41.96 41.27 1nf0 s TYR 90 CO 0.00 -0.52 0.03 0.54 -1.11 0.00 0.00 175.55 174.49 1nf0 s VAL 91 N -4.03 -0.01 -0.02 0.71 0.11 -0.25 -0.89 120.40 116.03 1nf0 s VAL 91 Ca 0.32 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.09 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 0.08 0.01 0.99 -0.63 -3.33 0.00 0.00 175.10 172.22 1nf0 s ILE 92 N 0.13 4.84 -0.03 7.04 1.01 0.58 -1.31 121.20 133.45 1nf0 s ILE 92 Ca -0.01 2.04 0.03 0.00 0.00 0.00 0.00 60.65 62.71 1nf0 s ILE 92 Cb -0.01 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.15 1nf0 s ILE 92 CO -0.00 0.13 -0.11 -0.76 0.00 0.00 0.00 174.94 174.19 1nf0 s LEU 93 N 1.19 1.81 0.00 2.97 1.43 -0.32 -3.52 118.68 122.24 1nf0 s LEU 93 Ca 0.52 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 1nf0 s LEU 93 Cb -0.21 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.33 1nf0 s LEU 93 CO 0.26 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.54 1nf0 n GLY 94 N 3.28 0.64 3.64 -3.19 0.00 -1.26 -1.13 105.19 107.17 1nf0 n GLY 94 Ca -0.18 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.66 1.56 -0.01 1.61 -0.00 -1.26 -4.47 115.22 109.98 1nf0 n HIS 95 Ca 0.00 0.57 0.18 0.00 0.46 0.00 0.00 57.72 58.94 1nf0 n HIS 95 Cb 0.00 -2.29 0.65 0.00 -0.12 0.00 0.00 29.99 28.23 1nf0 n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1nf0 h SER 96 N 1.89 0.07 0.49 0.26 4.64 -1.91 -0.19 113.55 118.80 1nf0 h SER 96 Ca -0.45 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.79 1nf0 h SER 96 Cb 1.32 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1nf0 h SER 96 CO 0.59 0.04 -0.44 -0.33 -0.87 0.00 0.00 176.83 175.82 1nf0 h GLU 97 N 0.08 0.00 0.15 4.77 5.08 -1.99 -0.11 114.58 122.56 1nf0 h GLU 97 Ca 0.26 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.32 1nf0 h GLU 97 Cb 0.91 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.19 1nf0 h GLU 97 CO -0.02 0.44 -1.29 0.00 -1.00 0.00 0.00 179.01 177.14 1nf0 h ARG 98 N 0.00 0.53 -1.00 2.33 3.08 -1.40 -2.58 114.38 115.34 1nf0 h ARG 98 Ca -0.00 -0.77 0.05 0.00 0.07 0.00 0.00 59.98 59.33 1nf0 h ARG 98 Cb 0.81 0.27 -0.06 0.00 0.08 0.00 0.00 29.97 31.06 1nf0 h ARG 98 CO 0.06 1.35 0.65 0.00 -1.07 0.00 0.00 179.97 180.96 1nf0 h ARG 99 N 0.20 1.20 0.00 0.04 3.08 -1.14 -1.74 114.38 116.02 1nf0 h ARG 99 Ca -0.19 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1nf0 h ARG 99 Cb 1.97 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 31.75 1nf0 h ARG 99 CO 0.24 0.79 0.00 -1.13 -1.07 0.00 0.00 179.97 178.80 1nf0 n SER 100 N -4.46 0.00 -0.31 7.04 3.41 -0.07 -3.23 113.62 116.00 1nf0 n SER 100 Ca 0.14 0.13 0.13 0.00 -0.26 0.00 0.00 58.87 59.02 1nf0 n SER 100 Cb 0.13 -0.19 0.37 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.00 0.90 -0.26 7.33 -1.99 -1.63 -2.62 116.97 118.69 1nf0 h TYR 101 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1nf0 h TYR 101 Cb 0.00 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.45 1nf0 h TYR 101 CO 0.00 0.26 0.00 1.19 -0.00 0.00 0.00 178.16 179.61 1nf0 n PHE 102 N -4.64 0.49 -3.80 4.88 3.72 -0.93 -4.97 117.46 112.20 1nf0 n PHE 102 Ca 0.21 -0.61 -0.28 0.00 -0.05 0.00 0.00 57.45 56.72 1nf0 n PHE 102 Cb 0.55 -0.10 0.04 0.00 -0.94 0.00 0.00 39.48 39.04 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 0.05 -2.47 -2.78 1.38 8.25 -0.96 -4.91 115.22 113.79 1nf0 n HIS 103 Ca 0.12 0.94 -0.43 0.00 -0.26 0.00 0.00 57.72 58.10 1nf0 n HIS 103 Cb 0.52 -4.34 -0.03 0.00 1.12 0.00 0.00 29.99 27.25 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 -6.48 3.80 0.73 -0.41 2.02 -0.70 -4.99 118.70 112.66 1nf0 s GLU 104 Ca 0.60 0.54 -0.10 0.00 0.02 0.00 0.00 54.97 56.04 1nf0 s GLU 104 Cb -0.29 -3.83 0.05 0.00 0.10 0.00 0.00 34.13 30.16 1nf0 s GLU 104 CO 0.80 -1.03 1.08 0.16 0.02 0.00 0.00 175.26 176.29 1nf0 s ASP 105 N 1.98 4.94 0.23 -0.19 1.47 -1.26 -4.40 116.67 119.45 1nf0 s ASP 105 Ca 0.39 0.76 -0.06 0.00 1.18 0.00 0.00 52.55 54.82 1nf0 s ASP 105 Cb -0.11 -1.43 0.33 0.00 -0.34 0.00 0.00 42.92 41.37 1nf0 s ASP 105 CO 0.21 -1.58 1.82 0.44 0.68 0.00 0.00 175.17 176.74 1nf0 h ASP 106 N -0.72 0.69 -0.28 2.11 3.45 -1.96 -2.13 116.42 117.59 1nf0 h ASP 106 Ca -0.45 0.03 -0.16 0.00 0.43 0.00 0.00 57.03 56.88 1nf0 h ASP 106 Cb 1.30 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.96 1nf0 h ASP 106 CO 0.63 0.43 -0.43 0.50 -1.57 0.00 0.00 179.24 178.80 1nf0 h LYS 107 N 0.82 0.84 -0.46 3.56 1.63 -1.93 -1.92 116.57 119.11 1nf0 h LYS 107 Ca 0.36 -0.46 0.09 0.00 -0.85 0.00 0.00 60.65 59.79 1nf0 h LYS 107 Cb 0.24 0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 31.81 1nf0 h LYS 107 CO -0.20 1.10 -0.11 0.35 -3.45 0.00 0.00 179.45 177.13 1nf0 h PHE 108 N 0.67 -0.24 -0.52 1.91 3.57 -1.80 0.28 116.94 120.81 1nf0 h PHE 108 Ca 0.05 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1nf0 h PHE 108 Cb 1.01 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1nf0 h PHE 108 CO 0.06 -0.19 0.14 0.82 -2.23 0.00 0.00 178.31 176.90 1nf0 h ILE 109 N 0.00 1.24 -0.88 1.41 1.08 -1.18 -1.08 117.51 118.10 1nf0 h ILE 109 Ca 0.22 -0.84 -0.02 0.00 -0.39 0.00 0.00 64.86 63.84 1nf0 h ILE 109 Cb 0.33 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 1nf0 h ILE 109 CO -0.47 0.31 0.49 0.00 -0.69 0.00 0.00 178.15 177.79 1nf0 h ALA 110 N 1.01 1.12 -0.36 1.87 0.00 -0.85 -0.81 119.26 121.24 1nf0 h ALA 110 Ca 0.17 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1nf0 h ALA 110 Cb 0.32 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1nf0 h ALA 110 CO -0.00 0.62 0.03 -0.44 0.00 0.00 0.00 179.25 179.47 1nf0 h ASP 111 N 1.22 0.59 -0.70 0.00 3.45 -0.57 -1.23 116.42 119.18 1nf0 h ASP 111 Ca 0.31 -0.28 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1nf0 h ASP 111 Cb 0.02 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 38.60 1nf0 h ASP 111 CO -0.05 0.73 0.46 0.11 -1.57 0.00 0.00 179.24 178.91 1nf0 h LYS 112 N 0.44 0.94 0.02 3.56 1.57 -1.03 -1.47 116.57 120.59 1nf0 h LYS 112 Ca 0.11 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1nf0 h LYS 112 Cb 0.40 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1nf0 h LYS 112 CO 0.01 0.63 -0.01 1.15 -0.57 0.00 0.00 179.45 180.66 1nf0 h THR 113 N 0.96 1.27 -0.46 -0.16 2.02 -0.70 -0.36 112.91 115.48 1nf0 h THR 113 Ca 0.26 -0.94 0.08 0.00 0.77 0.00 0.00 66.41 66.58 1nf0 h THR 113 Cb -0.10 1.90 -0.07 0.00 -1.74 0.00 0.00 68.15 68.14 1nf0 h THR 113 CO -0.05 0.24 0.05 0.50 0.37 0.00 0.00 175.52 176.62 1nf0 h LYS 114 N -0.44 0.16 -0.21 6.66 3.64 -1.22 -1.50 116.57 123.67 1nf0 h LYS 114 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1nf0 h LYS 114 Cb 0.42 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1nf0 h LYS 114 CO 0.01 0.11 0.08 0.35 -2.27 0.00 0.00 179.45 177.73 1nf0 h PHE 115 N 0.17 0.32 -0.41 1.91 3.57 -1.13 -1.81 116.94 119.55 1nf0 h PHE 115 Ca 0.23 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1nf0 h PHE 115 Cb 0.32 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1nf0 h PHE 115 CO -0.25 0.36 0.25 0.00 -2.23 0.00 0.00 178.31 176.43 1nf0 h ALA 116 N 0.93 0.52 -0.53 2.41 0.00 -0.81 -2.21 119.26 119.56 1nf0 h ALA 116 Ca 0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1nf0 h ALA 116 Cb 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1nf0 h ALA 116 CO -0.01 0.01 0.21 -0.07 0.00 0.00 0.00 179.25 179.40 1nf0 h LEU 117 N 0.54 0.70 -1.71 0.00 3.38 -1.22 -1.53 115.31 115.46 1nf0 h LEU 117 Ca 0.15 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1nf0 h LEU 117 Cb -0.00 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1nf0 h LEU 117 CO -0.03 0.63 0.30 1.23 0.09 0.00 0.00 178.44 180.67 1nf0 h GLY 118 N 0.90 0.44 -1.40 0.83 0.00 -0.83 -1.45 103.07 101.55 1nf0 h GLY 118 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1nf0 h GLY 118 CO -0.02 0.11 0.00 -1.06 0.00 0.00 0.00 176.54 175.57 1nf0 n GLN 119 N -4.47 2.06 -1.96 4.80 1.13 -0.74 -4.95 117.38 113.24 1nf0 n GLN 119 Ca 0.06 -1.58 -0.01 0.00 -1.94 0.00 0.00 57.00 53.53 1nf0 n GLN 119 Cb 0.26 -1.46 -0.00 0.00 0.11 0.00 0.00 30.24 29.15 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 1.29 0.33 3.41 1.08 0.00 -0.55 -5.02 105.19 105.73 1nf0 n GLY 120 Ca 0.17 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.06 3.00 0.66 1.61 1.01 -0.65 -5.02 120.40 118.94 1nf0 s VAL 121 Ca 0.00 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 1nf0 s VAL 121 Cb 0.00 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 1nf0 s VAL 121 CO 0.00 0.55 1.13 -0.83 0.00 0.00 0.00 175.10 175.96 1nf0 s GLY 122 N -0.11 2.27 -0.07 4.51 0.00 -0.45 -3.52 107.32 109.95 1nf0 s GLY 122 Ca -0.02 0.66 0.05 0.00 0.00 0.00 0.00 44.72 45.41 1nf0 s GLY 122 CO 0.04 1.03 -0.22 0.14 0.00 0.00 0.00 173.10 174.09 1nf0 s VAL 123 N -2.17 1.83 -0.55 1.40 1.01 -0.67 -1.09 120.40 120.16 1nf0 s VAL 123 Ca 0.69 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1nf0 s VAL 123 Cb -0.23 -1.58 0.11 0.00 0.00 0.00 0.00 36.38 34.68 1nf0 s VAL 123 CO 0.40 0.51 0.58 -0.63 0.00 0.00 0.00 175.10 175.96 1nf0 s ILE 124 N 0.13 5.03 -0.32 2.22 1.01 -0.43 -1.19 121.20 127.65 1nf0 s ILE 124 Ca -0.10 -1.16 -0.18 0.00 0.00 0.00 0.00 60.65 59.22 1nf0 s ILE 124 Cb -0.15 -4.37 -0.01 0.00 0.01 0.00 0.00 42.46 37.94 1nf0 s ILE 124 CO 0.05 -0.93 0.49 -0.22 0.00 0.00 0.00 174.94 174.33 1nf0 s LEU 125 N 2.13 4.26 -0.09 2.97 2.96 -0.22 -1.17 118.68 129.52 1nf0 s LEU 125 Ca 0.08 0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 53.98 1nf0 s LEU 125 Cb -0.26 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.81 1nf0 s LEU 125 CO 0.05 -0.41 0.25 0.00 -1.32 0.00 0.00 176.35 174.93 1nf0 s ILE 127 N -0.74 0.71 0.00 0.00 -4.36 -0.70 -4.61 121.20 111.51 1nf0 s ILE 127 Ca 0.18 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.60 1nf0 s ILE 127 Cb -0.14 -1.93 0.00 0.00 1.25 0.00 0.00 42.46 41.64 1nf0 s ILE 127 CO 0.07 -0.65 0.00 0.61 0.24 0.00 0.00 174.94 175.21 1nf0 n GLY 128 N -0.16 2.95 3.86 6.27 0.00 -1.26 -0.90 105.19 115.94 1nf0 n GLY 128 Ca -0.09 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.00 3.10 0.92 1.61 1.03 -1.26 -4.74 118.70 117.36 1nf0 s GLU 129 Ca 0.00 -0.83 -0.14 0.00 0.03 0.00 0.00 54.97 54.03 1nf0 s GLU 129 Cb 0.00 -2.73 0.15 0.00 -0.80 0.00 0.00 34.13 30.75 1nf0 s GLU 129 CO 0.00 0.47 1.21 0.95 -1.33 0.00 0.00 175.26 176.55 1nf0 s THR 130 N -1.86 1.96 0.20 1.83 -4.23 -1.26 -0.84 115.64 111.45 1nf0 s THR 130 Ca 0.33 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.75 1nf0 s THR 130 Cb -0.10 -2.89 0.12 0.00 1.34 0.00 0.00 72.50 70.98 1nf0 s THR 130 CO 0.26 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.32 1nf0 h LEU 131 N -1.49 1.08 -0.51 4.79 5.85 -1.98 -0.75 115.31 122.30 1nf0 h LEU 131 Ca -0.47 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 57.98 1nf0 h LEU 131 Cb 1.30 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1nf0 h LEU 131 CO 0.54 1.01 0.12 -0.33 -0.34 0.00 0.00 178.44 179.44 1nf0 h GLU 132 N 1.09 0.83 -0.32 1.25 3.07 -1.99 -0.18 114.58 118.32 1nf0 h GLU 132 Ca 0.23 -0.20 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 1nf0 h GLU 132 Cb 0.33 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1nf0 h GLU 132 CO -0.00 0.79 0.15 0.93 -1.40 0.00 0.00 179.01 179.48 1nf0 h GLU 133 N 0.72 0.47 -0.44 2.33 5.08 -1.89 -2.00 114.58 118.84 1nf0 h GLU 133 Ca 0.16 -0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.54 1nf0 h GLU 133 Cb 0.34 -0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.41 1nf0 h GLU 133 CO 0.00 0.44 -0.26 -0.22 -1.00 0.00 0.00 179.01 177.97 1nf0 h LYS 134 N 0.38 -0.17 0.00 2.33 1.63 -0.72 -0.93 116.57 119.10 1nf0 h LYS 134 Ca 0.11 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.88 1nf0 h LYS 134 Cb 0.12 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1nf0 h LYS 134 CO -0.01 -0.11 -0.21 0.87 -3.45 0.00 0.00 179.45 176.54 1nf0 h LYS 135 N -0.18 0.00 -0.00 1.90 1.57 -0.92 -1.47 116.57 117.47 1nf0 h LYS 135 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1nf0 h LYS 135 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1nf0 h LYS 135 CO -0.54 0.21 -0.01 0.00 -0.57 0.00 0.00 179.45 178.54 1nf0 n ALA 136 N -2.31 2.57 -0.90 3.86 0.00 -0.76 -4.88 120.51 118.09 1nf0 n ALA 136 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1nf0 n ALA 136 Cb 0.33 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 1.20 0.45 1.44 0.00 0.00 -0.55 -4.96 105.19 102.76 1nf0 n GLY 137 Ca 0.17 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.90 3.53 0.03 1.61 4.76 -0.41 -4.67 118.16 120.12 1nf0 n LYS 138 Ca 0.00 -2.80 -0.11 0.00 -2.87 0.00 0.00 58.31 52.53 1nf0 n LYS 138 Cb 0.00 -1.81 -0.04 0.00 -1.84 0.00 0.00 35.03 31.34 1nf0 n LYS 138 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1nf0 h THR 139 N 3.77 0.33 -0.05 -0.18 2.02 -1.85 0.51 112.91 117.45 1nf0 h THR 139 Ca 0.00 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.99 1nf0 h THR 139 Cb 1.35 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1nf0 h THR 139 CO 0.19 0.00 -0.76 -0.07 0.37 0.00 0.00 175.52 175.25 1nf0 h LEU 140 N -0.40 0.41 -0.41 2.58 3.38 -1.97 -1.90 115.31 117.00 1nf0 h LEU 140 Ca 0.08 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.83 1nf0 h LEU 140 Cb 0.53 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1nf0 h LEU 140 CO -0.31 1.03 0.08 0.44 0.09 0.00 0.00 178.44 179.77 1nf0 h ASP 141 N 0.22 0.01 -0.08 -0.43 5.19 -1.76 0.67 116.42 120.24 1nf0 h ASP 141 Ca -0.03 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1nf0 h ASP 141 Cb 1.34 0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.94 1nf0 h ASP 141 CO 0.13 0.04 0.01 0.58 -3.12 0.00 0.00 179.24 176.88 1nf0 h VAL 142 N 0.21 1.22 0.00 -1.35 2.07 -0.71 -1.68 116.25 116.01 1nf0 h VAL 142 Ca 0.20 -0.69 -0.11 0.00 0.82 0.00 0.00 66.70 66.92 1nf0 h VAL 142 Cb 0.24 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1nf0 h VAL 142 CO -0.26 0.19 -0.51 -0.37 0.02 0.00 0.00 177.57 176.64 1nf0 h VAL 143 N -0.11 1.17 -0.54 2.57 -1.51 -0.96 -0.53 116.25 116.34 1nf0 h VAL 143 Ca 0.02 -1.89 -0.08 0.00 -1.23 0.00 0.00 66.70 63.53 1nf0 h VAL 143 Cb 0.29 2.07 -0.02 0.00 -2.13 0.00 0.00 31.29 31.51 1nf0 h VAL 143 CO 0.00 0.50 0.00 -0.33 -1.23 0.00 0.00 177.57 176.52 1nf0 h GLU 144 N 0.00 0.92 -0.27 5.19 5.08 -0.83 -0.87 114.58 123.80 1nf0 h GLU 144 Ca -0.01 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 1nf0 h GLU 144 Cb 1.03 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1nf0 h GLU 144 CO 0.07 0.91 0.02 -0.09 -1.00 0.00 0.00 179.01 178.91 1nf0 h ARG 145 N 0.85 0.46 -0.55 2.33 2.43 -0.68 0.40 114.38 119.61 1nf0 h ARG 145 Ca 0.16 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1nf0 h ARG 145 Cb 0.50 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 1nf0 h ARG 145 CO 0.02 0.61 0.30 1.96 -1.51 0.00 0.00 179.97 181.36 1nf0 h GLN 146 N 0.25 0.57 -0.23 0.20 4.20 -1.06 -2.43 115.11 116.61 1nf0 h GLN 146 Ca 0.08 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.57 1nf0 h GLN 146 Cb 0.39 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 1nf0 h GLN 146 CO 0.01 0.38 -0.58 -0.07 -0.67 0.00 0.00 178.83 177.90 1nf0 h LEU 147 N 0.59 0.82 -1.35 1.46 3.38 -0.99 -3.11 115.31 116.11 1nf0 h LEU 147 Ca 0.24 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1nf0 h LEU 147 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1nf0 h LEU 147 CO -0.14 1.22 -0.06 0.78 0.09 0.00 0.00 178.44 180.33 1nf0 h ASN 148 N 0.56 0.34 -0.76 -0.43 -0.26 -0.11 0.48 115.58 115.39 1nf0 h ASN 148 Ca 0.00 -0.06 -0.03 0.00 -0.56 0.00 0.00 56.30 55.65 1nf0 h ASN 148 Cb 1.16 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 38.30 1nf0 h ASN 148 CO 0.12 0.45 0.35 0.00 -1.06 0.00 0.00 177.43 177.29 1nf0 h ALA 149 N 1.60 0.98 -0.44 -0.83 0.00 -1.41 -1.75 119.26 117.41 1nf0 h ALA 149 Ca 0.07 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1nf0 h ALA 149 Cb 0.33 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1nf0 h ALA 149 CO 0.01 0.56 -0.15 0.28 0.00 0.00 0.00 179.25 179.95 1nf0 h VAL 150 N 1.07 1.26 0.00 0.00 2.07 -1.21 -2.78 116.25 116.67 1nf0 h VAL 150 Ca 0.26 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1nf0 h VAL 150 Cb 0.14 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1nf0 h VAL 150 CO -0.03 0.43 0.00 -0.07 0.02 0.00 0.00 177.57 177.92 1nf0 h LEU 151 N 0.73 0.00 -1.91 2.57 3.38 -0.41 0.46 115.31 120.14 1nf0 h LEU 151 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1nf0 h LEU 151 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1nf0 h LEU 151 CO 0.05 0.00 -0.09 -0.33 0.09 0.00 0.00 178.44 178.15 1nf0 h GLU 152 N 0.00 0.00 0.00 1.13 4.39 -1.04 -3.31 114.58 115.75 1nf0 h GLU 152 Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1nf0 h GLU 152 Cb 0.40 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1nf0 h GLU 152 CO 0.00 0.09 -1.40 0.39 -1.16 0.00 0.00 179.01 176.93 1nf0 n GLU 153 N -3.45 2.41 -3.73 2.33 -0.58 -0.03 -5.02 120.64 112.58 1nf0 n GLU 153 Ca -0.01 -0.02 -0.23 0.00 -0.42 0.00 0.00 57.16 56.48 1nf0 n GLU 153 Cb 0.25 -1.16 -0.17 0.00 -0.57 0.00 0.00 31.44 29.78 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 -2.21 0.23 -0.21 2.62 1.01 -0.15 -4.89 120.40 116.81 1nf0 s VAL 154 Ca -0.03 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1nf0 s VAL 154 Cb 0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 1nf0 s VAL 154 CO 0.26 0.13 0.22 0.29 0.00 0.00 0.00 175.10 176.00 1nf0 n LYS 155 N 5.18 4.86 -3.10 2.72 5.02 -1.26 -4.00 118.16 127.58 1nf0 n LYS 155 Ca -0.06 -0.12 -0.44 0.00 -2.02 0.00 0.00 58.31 55.67 1nf0 n LYS 155 Cb 0.50 -0.73 -0.06 0.00 -0.02 0.00 0.00 35.03 34.72 1nf0 n LYS 155 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1nf0 s ASP 156 N -1.16 6.23 -0.19 4.39 3.68 -1.26 -4.88 116.67 123.48 1nf0 s ASP 156 Ca 0.02 -0.92 0.15 0.00 2.13 0.00 0.00 52.55 53.93 1nf0 s ASP 156 Cb 0.03 -2.31 0.78 0.00 -1.45 0.00 0.00 42.92 39.96 1nf0 s ASP 156 CO 0.12 -0.98 1.69 0.49 0.13 0.00 0.00 175.17 176.63 1nf0 n PHE 157 N 6.39 1.84 -0.23 -5.34 3.01 -1.26 -4.58 117.46 117.29 1nf0 n PHE 157 Ca -0.06 -0.67 0.03 0.00 1.01 0.00 0.00 57.45 57.77 1nf0 n PHE 157 Cb 0.45 -0.41 0.13 0.00 -0.01 0.00 0.00 39.48 39.65 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 3.99 0.43 -0.86 4.37 2.02 -1.97 -2.14 112.91 118.76 1nf0 h THR 158 Ca 0.00 -0.04 -0.50 0.00 0.77 0.00 0.00 66.41 66.64 1nf0 h THR 158 Cb 1.76 0.29 -0.27 0.00 -1.74 0.00 0.00 68.15 68.19 1nf0 h THR 158 CO 0.39 0.02 0.49 -3.20 0.37 0.00 0.00 175.52 173.59 1nf0 n ASN 159 N -5.29 4.60 -4.38 4.18 4.05 -1.26 -4.94 115.26 112.22 1nf0 n ASN 159 Ca 0.11 -3.70 -0.29 0.00 0.45 0.00 0.00 54.58 51.15 1nf0 n ASN 159 Cb 0.42 -0.81 -0.14 0.00 1.23 0.00 0.00 39.78 40.48 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 -3.77 2.23 0.00 3.44 1.01 -0.80 -1.67 120.40 120.84 1nf0 s VAL 160 Ca 0.56 -1.63 0.06 0.00 0.00 0.00 0.00 61.98 60.97 1nf0 s VAL 160 Cb 0.47 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1nf0 s VAL 160 CO 0.05 0.19 -0.18 0.68 0.00 0.00 0.00 175.10 175.84 1nf0 s VAL 161 N -0.97 1.42 -0.19 2.92 -7.23 -0.33 -4.64 120.40 111.37 1nf0 s VAL 161 Ca 0.13 -0.87 -0.09 0.00 -1.81 0.00 0.00 61.98 59.34 1nf0 s VAL 161 Cb -0.10 -1.20 -0.05 0.00 0.56 0.00 0.00 36.38 35.59 1nf0 s VAL 161 CO 0.05 0.31 0.10 -0.69 -0.31 0.00 0.00 175.10 174.55 1nf0 s VAL 162 N -0.54 5.10 -0.21 1.32 1.01 -0.42 -1.06 120.40 125.60 1nf0 s VAL 162 Ca 0.06 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 1nf0 s VAL 162 Cb -0.07 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1nf0 s VAL 162 CO 0.00 0.44 -0.03 0.00 0.00 0.00 0.00 175.10 175.52 1nf0 s ALA 163 N 0.41 2.90 -0.35 5.51 0.00 0.12 0.28 121.76 130.64 1nf0 s ALA 163 Ca 0.06 -1.08 -0.20 0.00 0.00 0.00 0.00 51.96 50.74 1nf0 s ALA 163 Cb -0.12 -1.72 -0.00 0.00 0.00 0.00 0.00 23.12 21.29 1nf0 s ALA 163 CO -0.01 -0.28 0.60 -0.47 0.00 0.00 0.00 175.76 175.61 1nf0 s TYR 164 N 1.22 3.16 -0.33 0.00 5.04 0.02 -1.72 117.35 124.75 1nf0 s TYR 164 Ca 0.03 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.99 1nf0 s TYR 164 Cb -0.14 -3.07 0.11 0.00 0.35 0.00 0.00 41.96 39.20 1nf0 s TYR 164 CO -0.00 -0.59 0.11 -1.21 -1.34 0.00 0.00 175.55 172.52 1nf0 s GLU 165 N 2.62 0.86 0.24 4.97 2.02 -0.08 -0.26 118.70 129.08 1nf0 s GLU 165 Ca 0.23 -1.28 -0.31 0.00 0.02 0.00 0.00 54.97 53.62 1nf0 s GLU 165 Cb -0.15 -2.14 -0.12 0.00 0.10 0.00 0.00 34.13 31.82 1nf0 s GLU 165 CO 0.14 -1.01 1.61 -2.30 0.02 0.00 0.00 175.26 173.72 1nf0 n PRO 166 N 4.60 2.58 -0.35 0.39 -0.02 -1.26 -4.34 135.00 136.60 1nf0 n PRO 166 Ca 0.00 0.92 -0.03 0.00 -2.02 0.00 0.00 63.50 62.37 1nf0 n PRO 166 Cb 0.41 -2.71 -0.05 0.00 -0.02 0.00 0.00 33.50 31.13 1nf0 n PRO 166 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1nf0 n VAL 167 N 2.85 1.12 0.00 -1.45 0.31 -0.02 -3.55 118.33 117.59 1nf0 n VAL 167 Ca 0.12 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1nf0 n VAL 167 Cb 0.35 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 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 2.44 0.00 -2.66 3.52 0.00 -1.26 -4.90 120.51 117.65 1nf0 n ALA 169 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 1nf0 n ALA 169 Cb 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.71 1nf0 n ALA 169 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1nf0 s ILE 170 N 0.00 4.84 0.00 0.00 -1.16 -1.23 -3.37 121.20 120.27 1nf0 s ILE 170 Ca 0.00 -0.24 0.00 0.00 -0.51 0.00 0.00 60.65 59.90 1nf0 s ILE 170 Cb 0.00 -4.27 0.00 0.00 0.61 0.00 0.00 42.46 38.80 1nf0 s ILE 170 CO 0.00 -0.74 0.00 0.61 -2.81 0.00 0.00 174.94 172.00 1nf0 n GLY 171 N 5.12 0.37 0.45 1.50 0.00 -1.26 -4.87 105.19 106.50 1nf0 n GLY 171 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1nf0 n GLY 171 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1nf0 n THR 172 N -2.17 0.05 -3.46 2.61 5.66 -1.26 -4.90 114.28 110.81 1nf0 n THR 172 Ca 0.00 -0.25 -0.22 0.00 -3.05 0.00 0.00 64.05 60.53 1nf0 n THR 172 Cb 0.10 0.38 0.07 0.00 -1.55 0.00 0.00 70.33 69.33 1nf0 n THR 172 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1nf0 n GLY 173 N 1.14 -0.42 2.53 1.09 0.00 -1.26 -4.97 105.19 103.30 1nf0 n GLY 173 Ca 0.19 0.17 -0.17 0.00 0.00 0.00 0.00 46.02 46.21 1nf0 n GLY 173 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nf0 n LEU 174 N -4.56 -1.71 -4.81 0.99 4.77 -1.26 -5.12 117.00 105.29 1nf0 n LEU 174 Ca -0.00 -3.79 -0.34 0.00 -0.03 0.00 0.00 56.01 51.86 1nf0 n LEU 174 Cb 0.56 0.66 -0.06 0.00 -2.33 0.00 0.00 43.42 42.25 1nf0 n LEU 174 CO 0.58 1.92 0.67 0.00 -1.33 0.00 0.00 177.39 179.24 1nf0 s ALA 175 N 0.27 3.00 0.38 -1.18 0.00 -1.26 -4.28 121.76 118.70 1nf0 s ALA 175 Ca 0.32 0.49 -0.26 0.00 0.00 0.00 0.00 51.96 52.50 1nf0 s ALA 175 Cb 0.06 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 1nf0 s ALA 175 CO -0.14 -0.02 1.21 0.00 0.00 0.00 0.00 175.76 176.81 1nf0 s ALA 176 N -2.06 3.24 0.87 0.00 0.00 -1.26 -4.99 121.76 117.55 1nf0 s ALA 176 Ca 0.63 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 53.54 1nf0 s ALA 176 Cb -0.12 -3.42 0.12 0.00 0.00 0.00 0.00 23.12 19.70 1nf0 s ALA 176 CO 0.16 -0.59 1.17 0.95 0.00 0.00 0.00 175.76 177.45 1nf0 s THR 177 N -1.32 2.10 0.32 0.00 -4.23 -1.26 -4.66 115.64 106.60 1nf0 s THR 177 Ca 0.55 0.04 0.04 0.00 -1.18 0.00 0.00 61.69 61.14 1nf0 s THR 177 Cb -0.34 -2.23 0.30 0.00 1.34 0.00 0.00 72.50 71.57 1nf0 s THR 177 CO 0.43 -0.04 1.89 -0.65 -0.54 0.00 0.00 174.62 175.71 1nf0 h PRO 178 N -1.46 0.85 -0.25 3.99 0.11 -1.94 0.25 132.00 133.55 1nf0 h PRO 178 Ca -0.44 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.44 1nf0 h PRO 178 Cb 1.28 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1nf0 h PRO 178 CO 0.44 0.57 -0.55 0.93 -0.21 0.00 0.00 178.00 179.17 1nf0 h GLU 179 N 0.88 0.75 -0.29 1.05 3.07 -1.93 0.91 114.58 119.02 1nf0 h GLU 179 Ca 0.42 -0.48 0.05 0.00 -0.50 0.00 0.00 59.36 58.85 1nf0 h GLU 179 Cb 0.42 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.34 1nf0 h GLU 179 CO -0.18 1.10 -0.03 -0.44 -1.40 0.00 0.00 179.01 178.07 1nf0 h ASP 180 N 0.58 -0.18 -0.33 1.42 3.45 -1.70 -2.18 116.42 117.48 1nf0 h ASP 180 Ca 0.01 0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.51 1nf0 h ASP 180 Cb 1.13 0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 40.03 1nf0 h ASP 180 CO 0.12 -0.05 0.08 0.00 -1.57 0.00 0.00 179.24 177.81 1nf0 h ALA 181 N 1.27 0.43 -0.66 3.45 0.00 -0.30 -2.19 119.26 121.27 1nf0 h ALA 181 Ca 0.14 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1nf0 h ALA 181 Cb 0.20 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1nf0 h ALA 181 CO -0.26 0.10 0.34 0.37 0.00 0.00 0.00 179.25 179.80 1nf0 h GLN 182 N 0.37 0.59 -0.19 0.00 5.75 -0.60 -0.63 115.11 120.40 1nf0 h GLN 182 Ca 0.10 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 1nf0 h GLN 182 Cb 0.30 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1nf0 h GLN 182 CO 0.00 0.39 0.06 -0.44 -2.65 0.00 0.00 178.83 176.19 1nf0 h ASP 183 N 0.61 0.28 -0.48 -0.69 3.32 -1.22 -0.45 116.42 117.79 1nf0 h ASP 183 Ca 0.31 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 1nf0 h ASP 183 Cb 0.26 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1nf0 h ASP 183 CO -0.22 0.41 -0.09 0.40 -1.72 0.00 0.00 179.24 178.02 1nf0 h ILE 184 N 0.14 1.27 -0.66 0.35 2.04 -1.12 -1.09 117.51 118.44 1nf0 h ILE 184 Ca 0.06 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.74 1nf0 h ILE 184 Cb 0.23 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1nf0 h ILE 184 CO -0.00 0.42 0.41 0.45 0.00 0.00 0.00 178.15 179.42 1nf0 h HIS 185 N 0.76 0.76 -1.01 1.37 3.86 -1.07 0.39 115.15 120.21 1nf0 h HIS 185 Ca 0.13 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.40 1nf0 h HIS 185 Cb 0.64 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 28.80 1nf0 h HIS 185 CO 0.05 0.43 0.66 0.00 0.86 0.00 0.00 177.93 179.92 1nf0 h ALA 186 N 1.29 1.34 -0.24 2.45 0.00 -0.82 -0.91 119.26 122.39 1nf0 h ALA 186 Ca 0.27 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1nf0 h ALA 186 Cb 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1nf0 h ALA 186 CO -0.11 0.55 -0.11 0.77 0.00 0.00 0.00 179.25 180.34 1nf0 h SER 187 N 1.27 0.51 -0.75 0.00 0.02 -0.37 -1.77 113.55 112.45 1nf0 h SER 187 Ca 0.40 -0.41 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1nf0 h SER 187 Cb 0.01 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.36 1nf0 h SER 187 CO -0.13 0.81 0.47 0.40 -1.14 0.00 0.00 176.83 177.24 1nf0 h ILE 188 N 0.22 1.09 -0.66 3.27 2.04 -0.83 -1.17 117.51 121.47 1nf0 h ILE 188 Ca 0.05 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1nf0 h ILE 188 Cb 0.61 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1nf0 h ILE 188 CO 0.03 0.17 0.31 -0.09 0.00 0.00 0.00 178.15 178.57 1nf0 h ARG 189 N 0.91 0.96 -0.36 2.37 2.43 -1.02 -0.94 114.38 118.74 1nf0 h ARG 189 Ca 0.31 -0.15 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 1nf0 h ARG 189 Cb 0.04 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1nf0 h ARG 189 CO -0.12 0.77 -0.20 -0.22 -1.51 0.00 0.00 179.97 178.69 1nf0 h LYS 190 N 0.92 0.68 -0.40 0.20 3.64 -1.00 0.21 116.57 120.82 1nf0 h LYS 190 Ca 0.23 -0.25 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1nf0 h LYS 190 Cb 0.13 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1nf0 h LYS 190 CO -0.03 0.83 0.04 0.35 -2.27 0.00 0.00 179.45 178.37 1nf0 h PHE 191 N 0.60 0.73 -0.14 1.91 3.57 -0.83 -2.62 116.94 120.17 1nf0 h PHE 191 Ca 0.09 -0.11 -0.11 0.00 3.53 0.00 0.00 57.97 61.37 1nf0 h PHE 191 Cb 0.67 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1nf0 h PHE 191 CO 0.03 0.73 -0.40 -0.07 -2.23 0.00 0.00 178.31 176.37 1nf0 h LEU 192 N 0.52 0.33 -1.40 0.59 3.38 -0.83 -1.98 115.31 115.93 1nf0 h LEU 192 Ca 0.12 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1nf0 h LEU 192 Cb 0.42 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1nf0 h LEU 192 CO 0.01 0.70 0.43 0.00 0.09 0.00 0.00 178.44 179.67 1nf0 h ALA 193 N 1.32 1.61 0.00 1.53 0.00 -0.45 0.15 119.26 123.41 1nf0 h ALA 193 Ca 0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1nf0 h ALA 193 Cb 0.82 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1nf0 h ALA 193 CO 0.07 0.33 -0.16 0.66 0.00 0.00 0.00 179.25 180.15 1nf0 h SER 194 N 0.80 0.00 0.00 0.00 4.64 -0.98 0.49 113.55 118.50 1nf0 h SER 194 Ca 0.25 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.26 1nf0 h SER 194 Cb 0.02 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.05 1nf0 h SER 194 CO -0.07 0.16 -2.18 0.29 -0.87 0.00 0.00 176.83 174.17 1nf0 n LYS 195 N -3.71 1.02 0.00 4.77 4.76 -0.63 -4.66 118.16 119.71 1nf0 n LYS 195 Ca -0.02 0.03 0.04 0.00 -2.87 0.00 0.00 58.31 55.50 1nf0 n LYS 195 Cb 0.28 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 32.01 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 -2.79 0.69 0.00 -0.35 4.77 0.43 -5.11 117.00 114.63 1nf0 n LEU 196 Ca -0.31 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 1nf0 n LEU 196 Cb 1.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 1nf0 n LEU 196 CO 0.31 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1nf0 n GLY 197 N 1.04 -0.41 0.15 -0.72 0.00 0.16 -4.38 105.19 101.02 1nf0 n GLY 197 Ca 0.02 -1.67 0.02 0.00 0.00 0.00 0.00 46.02 44.39 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 0.00 -0.14 1.61 3.32 -1.92 -2.25 116.42 117.04 1nf0 h ASP 198 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1nf0 h ASP 198 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1nf0 h ASP 198 CO 0.00 0.53 -0.05 0.50 -1.72 0.00 0.00 179.24 178.51 1nf0 h LYS 199 N 0.00 0.28 -0.53 3.56 3.64 -1.94 -0.74 116.57 120.84 1nf0 h LYS 199 Ca -0.01 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1nf0 h LYS 199 Cb 1.17 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1nf0 h LYS 199 CO 0.07 0.59 0.25 0.00 -2.27 0.00 0.00 179.45 178.08 1nf0 h ALA 200 N 0.69 0.68 -0.84 5.00 0.00 -1.75 -2.11 119.26 120.93 1nf0 h ALA 200 Ca 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1nf0 h ALA 200 Cb 0.49 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1nf0 h ALA 200 CO 0.02 0.25 0.47 0.00 0.00 0.00 0.00 179.25 179.99 1nf0 h ALA 201 N 1.09 1.08 0.00 0.00 0.00 -1.40 -2.12 119.26 117.90 1nf0 h ALA 201 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nf0 h ALA 201 Cb 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1nf0 h ALA 201 CO -0.02 0.59 0.00 -1.13 0.00 0.00 0.00 179.25 178.68 1nf0 n SER 202 N -4.39 0.29 0.01 0.00 3.41 -0.29 -2.92 113.62 109.74 1nf0 n SER 202 Ca 0.09 0.55 0.11 0.00 -0.26 0.00 0.00 58.87 59.36 1nf0 n SER 202 Cb 0.09 -0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 63.38 1nf0 n SER 202 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1nf0 n GLU 203 N -1.80 0.24 -2.48 4.33 1.02 -0.83 -4.74 120.64 116.38 1nf0 n GLU 203 Ca 0.04 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1nf0 n GLU 203 Cb 0.26 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 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 -3.69 4.27 -0.04 -4.62 2.96 -0.92 -4.96 118.68 111.68 1nf0 s LEU 204 Ca 0.04 1.78 -0.30 0.00 -0.22 0.00 0.00 54.13 55.42 1nf0 s LEU 204 Cb 0.15 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.25 1nf0 s LEU 204 CO 0.83 -0.58 1.12 -0.13 -1.32 0.00 0.00 176.35 176.27 1nf0 s ARG 205 N 2.28 4.41 -0.22 1.98 3.00 -1.26 -5.00 118.95 124.13 1nf0 s ARG 205 Ca 0.55 1.58 0.00 0.00 0.00 0.00 0.00 55.73 57.86 1nf0 s ARG 205 Cb -0.24 -3.51 0.03 0.00 0.00 0.00 0.00 34.95 31.23 1nf0 s ARG 205 CO 0.21 -0.32 -0.12 0.42 0.00 0.00 0.00 175.30 175.48 1nf0 s ILE 206 N 1.81 2.48 -0.03 1.52 1.01 -1.26 -1.30 121.20 125.42 1nf0 s ILE 206 Ca 0.54 -1.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 1nf0 s ILE 206 Cb -0.23 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1nf0 s ILE 206 CO 0.23 0.29 0.16 -0.76 0.00 0.00 0.00 174.94 174.86 1nf0 s LEU 207 N 1.28 4.32 -0.29 2.97 1.43 0.14 -1.34 118.68 127.20 1nf0 s LEU 207 Ca 0.01 0.35 -0.27 0.00 -1.03 0.00 0.00 54.13 53.19 1nf0 s LEU 207 Cb -0.16 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.60 1nf0 s LEU 207 CO -0.08 0.29 0.94 -0.47 0.23 0.00 0.00 176.35 177.26 1nf0 s TYR 208 N -1.25 3.23 -0.26 0.29 5.04 -0.53 -0.80 117.35 123.07 1nf0 s TYR 208 Ca 0.24 1.12 0.12 0.00 -2.44 0.00 0.00 57.07 56.11 1nf0 s TYR 208 Cb -0.12 -3.36 0.52 0.00 0.35 0.00 0.00 41.96 39.34 1nf0 s TYR 208 CO 0.15 -0.59 1.46 0.41 -1.34 0.00 0.00 175.55 175.65 1nf0 n GLY 209 N 3.85 4.58 3.97 8.97 0.00 0.65 -1.44 105.19 125.77 1nf0 n GLY 209 Ca 0.08 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 1nf0 n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nf0 s GLY 210 N -2.28 1.76 -0.01 -0.02 0.00 -1.26 -4.60 107.32 100.91 1nf0 s GLY 210 Ca 0.44 -1.47 -0.30 0.00 0.00 0.00 0.00 44.72 43.39 1nf0 s GLY 210 CO 0.04 -0.95 1.86 -0.45 0.00 0.00 0.00 173.10 173.59 1nf0 s SER 211 N -4.67 6.48 -0.22 1.64 0.15 -1.22 -4.86 113.70 111.00 1nf0 s SER 211 Ca 0.65 2.46 0.02 0.00 0.70 0.00 0.00 55.95 59.77 1nf0 s SER 211 Cb -0.07 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.76 1nf0 s SER 211 CO 0.45 -1.05 -0.11 0.00 1.20 0.00 0.00 173.24 173.72 1nf0 s ALA 212 N 4.50 2.21 0.27 5.45 0.00 -1.26 -4.73 121.76 128.20 1nf0 s ALA 212 Ca 0.83 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1nf0 s ALA 212 Cb -0.38 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.35 1nf0 s ALA 212 CO 0.37 -0.95 0.06 0.27 0.00 0.00 0.00 175.76 175.51 1nf0 n ASN 213 N 4.59 2.49 0.06 0.00 0.23 -1.26 -4.61 115.26 116.77 1nf0 n ASN 213 Ca -0.15 -2.10 0.12 0.00 -0.53 0.00 0.00 54.58 51.93 1nf0 n ASN 213 Cb 0.45 0.13 0.48 0.00 -2.08 0.00 0.00 39.78 38.75 1nf0 n ASN 213 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nf0 n GLY 214 N 1.80 -1.47 0.11 4.83 0.00 -1.26 -1.97 105.19 107.23 1nf0 n GLY 214 Ca -0.08 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1nf0 n GLY 214 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nf0 h SER 215 N 0.00 0.10 0.67 1.61 0.02 -1.95 -3.40 113.55 110.60 1nf0 h SER 215 Ca 0.00 -0.62 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 1nf0 h SER 215 Cb 0.53 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1nf0 h SER 215 CO 0.00 1.55 -0.46 -0.46 -1.14 0.00 0.00 176.83 176.32 1nf0 n ASN 216 N -4.24 0.49 -0.26 3.07 6.94 -1.23 -4.30 115.26 115.73 1nf0 n ASN 216 Ca -0.31 -0.04 -0.01 0.00 -0.02 0.00 0.00 54.58 54.20 1nf0 n ASN 216 Cb 0.76 0.12 0.11 0.00 -2.36 0.00 0.00 39.78 38.40 1nf0 n ASN 216 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1nf0 h ALA 217 N 2.86 0.99 -0.03 -2.53 0.00 -1.61 -0.62 119.26 118.32 1nf0 h ALA 217 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1nf0 h ALA 217 Cb 0.57 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1nf0 h ALA 217 CO 0.00 0.11 0.05 -0.24 0.00 0.00 0.00 179.25 179.17 1nf0 h VAL 218 N 0.77 0.38 0.00 0.00 3.04 -1.79 -1.43 116.25 117.22 1nf0 h VAL 218 Ca 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.02 1nf0 h VAL 218 Cb 0.19 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 1nf0 h VAL 218 CO -0.18 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 176.73 1nf0 n THR 219 N -3.63 0.78 0.84 3.17 -2.24 -0.24 -2.37 114.28 110.59 1nf0 n THR 219 Ca -0.02 0.16 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 1nf0 n THR 219 Cb 0.13 -0.97 0.24 0.00 -2.10 0.00 0.00 70.33 67.63 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 -1.88 0.22 -0.16 4.78 3.72 -0.54 -4.68 117.46 118.93 1nf0 n PHE 220 Ca 0.04 -0.11 0.20 0.00 -0.05 0.00 0.00 57.45 57.53 1nf0 n PHE 220 Cb 0.24 0.00 0.59 0.00 -0.94 0.00 0.00 39.48 39.37 1nf0 n PHE 220 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1nf0 h LYS 221 N 3.93 0.24 -0.40 -1.08 3.64 -1.59 -2.23 116.57 119.08 1nf0 h LYS 221 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1nf0 h LYS 221 Cb 0.85 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1nf0 h LYS 221 CO 0.00 0.16 0.00 -0.25 -2.27 0.00 0.00 179.45 177.09 1nf0 n ASP 222 N -4.42 3.06 -4.54 4.20 8.00 -1.26 -4.90 116.55 116.69 1nf0 n ASP 222 Ca 0.16 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.24 1nf0 n ASP 222 Cb 0.68 -0.27 -0.07 0.00 -0.02 0.00 0.00 41.12 41.44 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 -1.00 3.45 0.43 -1.24 -0.14 -0.84 -4.93 119.74 115.46 1nf0 s LYS 223 Ca 0.27 -0.28 0.13 0.00 -1.36 0.00 0.00 55.97 54.73 1nf0 s LYS 223 Cb 0.14 -3.88 1.01 0.00 -1.68 0.00 0.00 37.83 33.42 1nf0 s LYS 223 CO 0.18 -0.81 2.00 0.00 -0.76 0.00 0.00 175.35 175.96 1nf0 h ALA 224 N 8.64 1.97 -0.15 5.17 0.00 -1.90 -2.46 119.26 130.52 1nf0 h ALA 224 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1nf0 h ALA 224 Cb 1.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1nf0 h ALA 224 CO 0.83 -0.08 0.00 -0.25 0.00 0.00 0.00 179.25 179.75 1nf0 n ASP 225 N -4.47 2.93 -4.39 0.00 9.92 -1.26 -4.76 116.55 114.52 1nf0 n ASP 225 Ca 0.08 -1.89 -0.45 0.00 -0.53 0.00 0.00 54.79 52.01 1nf0 n ASP 225 Cb 0.31 -0.09 -0.07 0.00 -0.64 0.00 0.00 41.12 40.63 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 -1.57 5.22 -2.51 2.53 1.01 -0.93 -4.63 120.40 119.53 1nf0 s VAL 226 Ca 0.28 -1.07 0.23 0.00 0.00 0.00 0.00 61.98 61.42 1nf0 s VAL 226 Cb 0.18 -4.15 0.41 0.00 0.00 0.00 0.00 36.38 32.83 1nf0 s VAL 226 CO 0.27 -0.60 1.41 0.47 0.00 0.00 0.00 175.10 176.64 1nf0 n ASP 227 N 5.24 3.24 0.00 3.32 10.43 -0.45 -4.84 116.55 133.48 1nf0 n ASP 227 Ca -0.12 -1.97 0.00 0.00 2.57 0.00 0.00 54.79 55.27 1nf0 n ASP 227 Cb 0.43 -0.21 0.00 0.00 1.84 0.00 0.00 41.12 43.18 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 1.46 -0.36 3.02 0.44 0.00 -1.26 -2.30 105.19 106.19 1nf0 n GLY 228 Ca 0.19 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.89 0.46 -0.42 1.61 0.08 -0.77 -1.45 117.98 114.60 1nf0 s PHE 229 Ca 0.00 -0.50 -0.03 0.00 0.12 0.00 0.00 56.93 56.52 1nf0 s PHE 229 Cb 0.00 -0.29 0.11 0.00 -0.57 0.00 0.00 43.02 42.27 1nf0 s PHE 229 CO 0.00 -0.13 0.22 -1.17 -0.10 0.00 0.00 175.22 174.04 1nf0 s LEU 230 N -1.47 5.30 0.12 -0.37 2.96 -0.52 -0.18 118.68 124.53 1nf0 s LEU 230 Ca -0.12 -2.03 -0.24 0.00 -0.22 0.00 0.00 54.13 51.52 1nf0 s LEU 230 Cb -0.10 -1.85 -0.07 0.00 0.50 0.00 0.00 46.19 44.67 1nf0 s LEU 230 CO -0.00 -0.56 0.74 -0.69 -1.32 0.00 0.00 176.35 174.52 1nf0 s VAL 231 N 1.15 4.51 0.00 1.68 1.01 0.16 -4.50 120.40 124.42 1nf0 s VAL 231 Ca 0.08 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1nf0 s VAL 231 Cb -0.23 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1nf0 s VAL 231 CO -0.04 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1nf0 n GLY 232 N 1.80 0.47 0.37 4.51 0.00 -1.26 -0.93 105.19 110.16 1nf0 n GLY 232 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.94 0.12 103.07 104.68 1nf0 h GLY 233 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1nf0 h GLY 233 CO 0.00 0.05 0.00 0.00 0.00 0.00 0.00 176.54 176.59 1nf0 h ALA 234 N 1.60 1.00 0.00 3.60 0.00 -1.90 -2.46 119.26 121.11 1nf0 h ALA 234 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1nf0 h ALA 234 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1nf0 h ALA 234 CO -0.27 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.85 1nf0 n SER 235 N -2.42 0.68 0.06 0.00 3.41 0.40 -1.68 113.62 114.07 1nf0 n SER 235 Ca -0.01 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 1nf0 n SER 235 Cb 0.08 -0.78 0.42 0.00 -0.26 0.00 0.00 64.21 63.68 1nf0 n SER 235 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1nf0 n LEU 236 N -2.19 0.54 -4.77 1.04 4.77 -0.93 -4.90 117.00 110.57 1nf0 n LEU 236 Ca 0.04 0.46 -0.22 0.00 -0.03 0.00 0.00 56.01 56.26 1nf0 n LEU 236 Cb 0.32 -0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1nf0 n LEU 236 CO 0.24 -0.09 -0.18 -0.54 -1.33 0.00 0.00 177.39 175.49 1nf0 s LYS 237 N -3.07 2.61 0.53 3.23 1.02 -0.68 -4.94 119.74 118.44 1nf0 s LYS 237 Ca 0.11 -1.31 0.19 0.00 0.02 0.00 0.00 55.97 54.98 1nf0 s LYS 237 Cb 0.15 -2.37 1.32 0.00 -0.52 0.00 0.00 37.83 36.42 1nf0 s LYS 237 CO 0.60 0.24 2.12 -1.35 -0.92 0.00 0.00 175.35 176.04 1nf0 h PRO 238 N 1.52 0.00 0.00 -1.68 0.11 -1.93 -2.30 132.00 127.71 1nf0 h PRO 238 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1nf0 h PRO 238 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1nf0 h PRO 238 CO 0.61 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.55 1nf0 n GLU 239 N -4.47 0.15 -0.08 1.05 0.28 -1.26 -2.04 120.64 114.26 1nf0 n GLU 239 Ca -0.00 0.49 0.18 0.00 -0.16 0.00 0.00 57.16 57.67 1nf0 n GLU 239 Cb 0.20 -1.85 0.60 0.00 1.43 0.00 0.00 31.44 31.83 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 0.23 -0.28 -1.84 3.57 -1.48 -0.26 116.94 116.88 1nf0 h PHE 240 Ca 0.00 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1nf0 h PHE 240 Cb 0.20 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1nf0 h PHE 240 CO 0.00 0.09 -0.14 0.28 -2.23 0.00 0.00 178.31 176.31 1nf0 h VAL 241 N 0.20 1.23 -0.40 1.41 2.07 -1.65 -2.09 116.25 117.02 1nf0 h VAL 241 Ca 0.31 -1.04 -0.13 0.00 0.82 0.00 0.00 66.70 66.66 1nf0 h VAL 241 Cb 0.95 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1nf0 h VAL 241 CO -0.06 0.34 -0.27 0.44 0.02 0.00 0.00 177.57 178.04 1nf0 h ASP 242 N 0.45 0.93 -0.52 0.57 3.45 -1.26 -1.51 116.42 118.53 1nf0 h ASP 242 Ca 0.08 -0.43 0.06 0.00 0.43 0.00 0.00 57.03 57.18 1nf0 h ASP 242 Cb 0.51 -0.26 -0.06 0.00 -0.56 0.00 0.00 39.33 38.97 1nf0 h ASP 242 CO 0.03 1.16 0.21 0.40 -1.57 0.00 0.00 179.24 179.48 1nf0 h ILE 243 N 0.71 0.86 0.00 0.35 2.04 -1.17 -1.02 117.51 119.28 1nf0 h ILE 243 Ca 0.08 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1nf0 h ILE 243 Cb 0.85 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1nf0 h ILE 243 CO 0.07 0.07 -0.14 0.40 0.00 0.00 0.00 178.15 178.55 1nf0 h ILE 244 N 0.41 0.78 -0.64 -0.67 2.04 -0.90 -1.52 117.51 117.01 1nf0 h ILE 244 Ca 0.25 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1nf0 h ILE 244 Cb 0.24 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1nf0 h ILE 244 CO -0.23 0.14 0.00 0.59 0.00 0.00 0.00 178.15 178.66 1nf0 n ASN 245 N -3.90 5.10 0.07 1.72 5.03 -0.50 -4.54 115.26 118.25 1nf0 n ASN 245 Ca -0.02 -2.59 0.11 0.00 0.87 0.00 0.00 54.58 52.95 1nf0 n ASN 245 Cb 0.24 -0.62 0.45 0.00 -1.02 0.00 0.00 39.78 38.83 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 1.01 0.46 -1.10 6.41 3.41 -0.55 -2.42 113.62 120.85 1nf0 n SER 246 Ca 0.27 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.54 1nf0 n SER 246 Cb 0.99 -0.69 0.26 0.00 -0.26 0.00 0.00 64.21 64.52 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 -1.97 3.14 0.00 4.33 1.74 -1.26 -4.49 116.66 118.14 1nf0 n ARG 247 Ca 0.04 -2.55 0.07 0.00 -0.77 0.00 0.00 57.85 54.64 1nf0 n ARG 247 Cb 0.29 -1.61 0.41 0.00 -1.02 0.00 0.00 32.46 30.52 1nf0 n ARG 247 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20