#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nsa n GLU 8 N 0.00 2.46 -0.76 -1.08 4.07 -1.26 -1.78 120.64 122.29 1nsa n GLU 8 Ca 0.00 0.90 0.00 0.00 -0.06 0.00 0.00 57.16 58.00 1nsa n GLU 8 Cb 0.00 -2.78 0.00 0.00 -0.06 0.00 0.00 31.44 28.60 1nsa n GLU 8 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nsa n GLY 9 N 4.38 1.14 3.81 8.31 0.00 -1.26 -4.70 105.19 116.86 1nsa n GLY 9 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1nsa n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nsa s GLU 10 N -0.13 4.17 0.17 1.61 2.02 -0.73 -4.42 118.70 121.38 1nsa s GLU 10 Ca 0.00 1.22 0.08 0.00 0.02 0.00 0.00 54.97 56.29 1nsa s GLU 10 Cb 0.00 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 1nsa s GLU 10 CO 0.00 -0.09 -0.17 0.15 0.02 0.00 0.00 175.26 175.17 1nsa s LYS 11 N -3.03 1.28 -0.15 1.61 1.02 -1.17 -1.29 119.74 118.00 1nsa s LYS 11 Ca 0.62 -1.44 -0.02 0.00 0.02 0.00 0.00 55.97 55.15 1nsa s LYS 11 Cb -0.12 -1.26 -0.02 0.00 -0.52 0.00 0.00 37.83 35.91 1nsa s LYS 11 CO 0.17 0.25 -0.09 0.08 -0.92 0.00 0.00 175.35 174.83 1nsa s VAL 12 N -2.26 3.37 0.03 3.17 1.01 -0.54 -1.40 120.40 123.78 1nsa s VAL 12 Ca 0.17 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1nsa s VAL 12 Cb -0.05 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1nsa s VAL 12 CO 0.07 0.50 0.13 -0.36 0.00 0.00 0.00 175.10 175.43 1nsa s PHE 13 N 0.55 3.35 -0.27 5.22 0.08 0.43 -0.73 117.98 126.63 1nsa s PHE 13 Ca -0.06 0.21 -0.05 0.00 0.12 0.00 0.00 56.93 57.14 1nsa s PHE 13 Cb -0.15 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.58 1nsa s PHE 13 CO 0.03 0.57 0.03 0.50 -0.10 0.00 0.00 175.22 176.25 1nsa s ARG 14 N -2.12 3.16 -0.07 0.44 6.06 0.84 -1.07 118.95 126.19 1nsa s ARG 14 Ca 0.28 -0.79 0.03 0.00 -2.50 0.00 0.00 55.73 52.75 1nsa s ARG 14 Cb -0.12 -3.22 -0.02 0.00 0.06 0.00 0.00 34.95 31.65 1nsa s ARG 14 CO 0.20 -0.36 -0.15 0.08 -2.50 0.00 0.00 175.30 172.58 1nsa s VAL 15 N 1.47 3.01 -0.11 7.11 1.01 -0.35 0.23 120.40 132.78 1nsa s VAL 15 Ca 0.03 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 1nsa s VAL 15 Cb -0.16 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1nsa s VAL 15 CO 0.00 0.57 0.17 0.54 0.00 0.00 0.00 175.10 176.39 1nsa s ASN 16 N -0.42 6.44 -0.23 3.32 2.20 -0.26 -1.23 114.94 124.76 1nsa s ASN 16 Ca 0.05 0.53 -0.02 0.00 -0.94 0.00 0.00 52.86 52.48 1nsa s ASN 16 Cb -0.12 -2.09 0.02 0.00 -2.00 0.00 0.00 41.25 37.05 1nsa s ASN 16 CO 0.02 0.40 -0.07 0.68 -2.94 0.00 0.00 177.10 175.19 1nsa s VAL 17 N -1.03 2.91 -0.17 3.54 -7.23 -0.31 -4.24 120.40 113.87 1nsa s VAL 17 Ca 0.16 -0.88 -0.20 0.00 -1.81 0.00 0.00 61.98 59.24 1nsa s VAL 17 Cb -0.13 -2.42 -0.22 0.00 0.56 0.00 0.00 36.38 34.18 1nsa s VAL 17 CO 0.05 0.29 0.36 -0.33 -0.31 0.00 0.00 175.10 175.16 1nsa h GLU 18 N 8.03 0.07 0.00 4.82 4.39 -1.92 0.51 114.58 130.48 1nsa h GLU 18 Ca -0.36 -0.11 -0.37 0.00 0.34 0.00 0.00 59.36 58.85 1nsa h GLU 18 Cb 1.12 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.72 1nsa h GLU 18 CO 0.59 1.05 -0.36 -0.40 -1.16 0.00 0.00 179.01 178.74 1nsa n ASP 19 N -4.28 -0.34 0.05 1.42 5.68 -1.26 -2.90 116.55 114.93 1nsa n ASP 19 Ca -0.28 -2.67 0.09 0.00 -0.50 0.00 0.00 54.79 51.44 1nsa n ASP 19 Cb 0.73 1.22 0.39 0.00 -1.14 0.00 0.00 41.12 42.31 1nsa n ASP 19 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1nsa n GLU 20 N -0.51 0.08 0.03 0.11 1.02 -1.26 -2.30 120.64 117.81 1nsa n GLU 20 Ca 0.05 0.32 -0.08 0.00 -0.02 0.00 0.00 57.16 57.42 1nsa n GLU 20 Cb 0.46 -1.65 -0.13 0.00 -0.02 0.00 0.00 31.44 30.10 1nsa n GLU 20 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1nsa h ASN 21 N 0.00 0.04 -0.66 1.62 -0.73 -1.99 -2.13 115.58 111.72 1nsa h ASN 21 Ca 0.00 -0.05 0.05 0.00 1.87 0.00 0.00 56.30 58.17 1nsa h ASN 21 Cb 0.31 -0.01 -0.05 0.00 0.27 0.00 0.00 38.32 38.83 1nsa h ASN 21 CO 0.00 1.04 0.38 0.44 -0.37 0.00 0.00 177.43 178.92 1nsa h ASP 22 N 0.01 0.58 -0.67 1.15 3.32 -1.87 0.12 116.42 119.06 1nsa h ASP 22 Ca -0.13 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 1nsa h ASP 22 Cb 1.88 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 41.30 1nsa h ASP 22 CO 0.11 0.39 0.18 0.40 -1.72 0.00 0.00 179.24 178.60 1nsa h ILE 23 N 0.72 1.26 0.00 0.35 2.04 -1.30 -2.24 117.51 118.33 1nsa h ILE 23 Ca 0.29 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 1nsa h ILE 23 Cb 0.13 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1nsa h ILE 23 CO -0.16 0.35 -0.23 0.77 0.00 0.00 0.00 178.15 178.89 1nsa h SER 24 N 1.00 0.00 0.12 1.72 4.64 -0.65 -0.80 113.55 119.59 1nsa h SER 24 Ca 0.21 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.48 1nsa h SER 24 Cb 0.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1nsa h SER 24 CO -0.00 0.23 -0.20 -0.08 -0.87 0.00 0.00 176.83 175.91 1nsa h GLU 25 N 0.00 0.16 0.00 4.77 4.57 -0.61 -2.49 114.58 120.97 1nsa h GLU 25 Ca -0.00 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1nsa h GLU 25 Cb 0.93 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1nsa h GLU 25 CO 0.03 0.36 -0.42 -0.07 -1.18 0.00 0.00 179.01 177.73 1nsa h LEU 26 N 0.15 0.00 -1.31 1.64 3.38 -0.56 -2.14 115.31 116.47 1nsa h LEU 26 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1nsa h LEU 26 Cb 0.45 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1nsa h LEU 26 CO 0.03 0.08 0.40 0.45 0.09 0.00 0.00 178.44 179.49 1nsa h HIS 27 N 0.00 0.83 0.10 1.13 3.86 -0.91 -1.11 115.15 119.06 1nsa h HIS 27 Ca -0.01 0.01 -0.29 0.00 -1.16 0.00 0.00 60.37 58.92 1nsa h HIS 27 Cb 1.07 -0.28 0.02 0.00 1.06 0.00 0.00 27.41 29.28 1nsa h HIS 27 CO 0.00 0.55 -1.20 1.49 0.86 0.00 0.00 177.93 179.63 1nsa h GLU 28 N 0.88 0.54 -0.12 2.45 4.81 -1.33 -2.67 114.58 119.14 1nsa h GLU 28 Ca 0.23 -0.72 0.03 0.00 -0.13 0.00 0.00 59.36 58.76 1nsa h GLU 28 Cb -0.05 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1nsa h GLU 28 CO -0.05 1.32 -0.04 1.25 -0.73 0.00 0.00 179.01 180.77 1nsa h LEU 29 N 0.24 -0.13 -1.54 1.64 5.85 -1.21 -2.52 115.31 117.64 1nsa h LEU 29 Ca -0.17 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 1nsa h LEU 29 Cb 1.88 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.98 1nsa h LEU 29 CO 0.22 -0.05 -0.21 0.00 -0.34 0.00 0.00 178.44 178.07 1nsa h ALA 30 N 1.11 1.62 0.00 1.25 0.00 -1.26 0.32 119.26 122.30 1nsa h ALA 30 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1nsa h ALA 30 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1nsa h ALA 30 CO -0.13 0.28 -0.07 0.66 0.00 0.00 0.00 179.25 179.99 1nsa h SER 31 N 0.03 0.00 0.00 0.00 4.64 -1.09 -3.33 113.55 113.80 1nsa h SER 31 Ca 0.00 -0.02 -0.29 0.00 -0.47 0.00 0.00 61.79 61.01 1nsa h SER 31 Cb 0.38 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.42 1nsa h SER 31 CO 0.03 0.01 -2.10 0.41 -0.87 0.00 0.00 176.83 174.31 1nsa n THR 32 N -2.29 1.10 -4.39 2.95 -1.04 -0.95 -4.99 114.28 104.68 1nsa n THR 32 Ca 0.05 -0.51 -0.27 0.00 -2.04 0.00 0.00 64.05 61.28 1nsa n THR 32 Cb 0.44 -0.99 -0.11 0.00 -1.82 0.00 0.00 70.33 67.84 1nsa n THR 32 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1nsa s ARG 33 N -2.39 1.64 -0.79 -2.82 1.81 0.11 -5.06 118.95 111.46 1nsa s ARG 33 Ca -0.20 -1.44 -0.26 0.00 -1.72 0.00 0.00 55.73 52.11 1nsa s ARG 33 Cb 0.06 -1.93 0.03 0.00 -0.45 0.00 0.00 34.95 32.66 1nsa s ARG 33 CO 0.51 0.41 1.35 -0.65 -0.68 0.00 0.00 175.30 176.25 1nsa s GLN 34 N -2.63 3.23 -0.17 3.54 1.11 -1.26 -4.46 119.66 119.02 1nsa s GLN 34 Ca 0.21 -0.36 -0.11 0.00 0.01 0.00 0.00 55.36 55.11 1nsa s GLN 34 Cb -0.08 -4.42 -0.05 0.00 -1.01 0.00 0.00 33.01 27.45 1nsa s GLN 34 CO 0.11 -2.20 0.20 0.42 0.01 0.00 0.00 175.29 173.82 1nsa s ILE 35 N 5.82 5.37 -0.48 1.08 1.09 -1.26 -4.51 121.20 128.31 1nsa s ILE 35 Ca 0.39 0.35 -0.16 0.00 -1.10 0.00 0.00 60.65 60.13 1nsa s ILE 35 Cb -0.07 -3.53 0.07 0.00 -1.06 0.00 0.00 42.46 37.87 1nsa s ILE 35 CO 0.11 0.45 0.43 -0.62 -0.10 0.00 0.00 174.94 175.21 1nsa s ASP 36 N 0.14 6.16 -0.10 3.58 2.15 -0.79 -4.94 116.67 122.87 1nsa s ASP 36 Ca 0.13 -1.26 -0.30 0.00 0.43 0.00 0.00 52.55 51.55 1nsa s ASP 36 Cb -0.12 -2.20 -0.02 0.00 -0.30 0.00 0.00 42.92 40.28 1nsa s ASP 36 CO 0.02 -0.68 1.09 -0.36 -0.17 0.00 0.00 175.17 175.07 1nsa s PHE 37 N 1.79 3.36 -0.19 -5.34 0.08 -1.26 -0.06 117.98 116.35 1nsa s PHE 37 Ca 0.06 1.42 -0.11 0.00 0.12 0.00 0.00 56.93 58.42 1nsa s PHE 37 Cb -0.23 -3.29 -0.21 0.00 -0.57 0.00 0.00 43.02 38.71 1nsa s PHE 37 CO 0.07 -0.71 0.14 0.91 -0.10 0.00 0.00 175.22 175.54 1nsa n TRP 38 N 5.22 0.85 -3.24 0.36 7.02 0.10 -4.63 117.44 123.12 1nsa n TRP 38 Ca 0.10 0.25 0.03 0.00 -1.02 0.00 0.00 57.50 56.86 1nsa n TRP 38 Cb 0.47 -1.10 -0.02 0.00 -2.42 0.00 0.00 31.31 28.25 1nsa n TRP 38 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1nsa s LYS 39 N -2.49 0.51 0.62 -0.99 2.20 -0.88 -4.36 119.74 114.35 1nsa s LYS 39 Ca -0.28 0.98 -0.10 0.00 -0.36 0.00 0.00 55.97 56.21 1nsa s LYS 39 Cb 0.08 0.56 0.15 0.00 -1.51 0.00 0.00 37.83 37.10 1nsa s LYS 39 CO 0.66 -0.48 0.71 -0.35 -0.36 0.00 0.00 175.35 175.53 1nsa n PRO 40 N 5.42 -1.32 -0.08 4.03 -0.04 -1.26 -0.18 135.00 141.57 1nsa n PRO 40 Ca -0.04 -1.11 0.11 0.00 -0.04 0.00 0.00 63.50 62.43 1nsa n PRO 40 Cb 0.51 -0.84 0.36 0.00 -0.04 0.00 0.00 33.50 33.49 1nsa n PRO 40 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1nsa n ASP 41 N -3.72 1.97 -3.50 3.54 5.68 -1.26 -4.75 116.55 114.51 1nsa n ASP 41 Ca 0.09 -1.73 -0.11 0.00 -0.50 0.00 0.00 54.79 52.54 1nsa n ASP 41 Cb 0.33 -0.10 -0.02 0.00 -1.14 0.00 0.00 41.12 40.19 1nsa n ASP 41 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1nsa s SER 42 N -1.66 -0.50 0.56 -1.12 0.15 -1.26 -4.72 113.70 105.16 1nsa s SER 42 Ca 0.34 -0.12 0.29 0.00 0.70 0.00 0.00 55.95 57.16 1nsa s SER 42 Cb 0.19 0.61 1.65 0.00 -1.71 0.00 0.00 66.02 66.76 1nsa s SER 42 CO 0.28 -1.02 2.17 1.62 1.20 0.00 0.00 173.24 177.49 1nsa h VAL 43 N 2.03 0.53 0.00 4.45 3.04 -1.97 -2.24 116.25 122.09 1nsa h VAL 43 Ca -0.32 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 1nsa h VAL 43 Cb 1.30 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.75 1nsa h VAL 43 CO 0.36 0.06 -0.08 0.35 -1.01 0.00 0.00 177.57 177.25 1nsa n THR 44 N -3.71 0.11 -0.67 3.17 -2.24 -1.26 -3.28 114.28 106.40 1nsa n THR 44 Ca -0.02 -0.06 0.08 0.00 -2.27 0.00 0.00 64.05 61.78 1nsa n THR 44 Cb 0.16 -0.41 0.26 0.00 -2.10 0.00 0.00 70.33 68.23 1nsa n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nsa n GLN 45 N -1.64 3.20 -2.97 -0.78 1.13 -0.84 -4.96 117.38 110.52 1nsa n GLN 45 Ca 0.06 -2.64 -0.38 0.00 -1.94 0.00 0.00 57.00 52.11 1nsa n GLN 45 Cb 0.36 -1.71 -0.06 0.00 0.11 0.00 0.00 30.24 28.94 1nsa n GLN 45 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1nsa s ILE 46 N -2.08 4.38 0.10 5.09 1.01 -1.20 -4.72 121.20 123.78 1nsa s ILE 46 Ca 0.39 1.63 0.07 0.00 0.00 0.00 0.00 60.65 62.74 1nsa s ILE 46 Cb 0.28 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1nsa s ILE 46 CO 0.15 0.38 -0.18 -1.59 0.00 0.00 0.00 174.94 173.70 1nsa s LYS 47 N -1.52 1.04 0.78 2.79 -2.85 -1.26 -5.09 119.74 113.64 1nsa s LYS 47 Ca 0.40 -1.15 -0.14 0.00 -1.00 0.00 0.00 55.97 54.08 1nsa s LYS 47 Cb -0.21 -1.15 0.05 0.00 -2.06 0.00 0.00 37.83 34.46 1nsa s LYS 47 CO 0.25 0.25 1.02 -2.30 0.10 0.00 0.00 175.35 174.67 1nsa n PRO 48 N 0.95 0.27 -3.39 1.78 -0.02 -1.26 -3.62 135.00 129.72 1nsa n PRO 48 Ca -0.19 0.16 -0.17 0.00 -2.02 0.00 0.00 63.50 61.28 1nsa n PRO 48 Cb 0.55 -2.29 0.07 0.00 -0.02 0.00 0.00 33.50 31.81 1nsa n PRO 48 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1nsa n HIS 49 N -2.98 -2.28 -3.74 6.00 8.25 0.17 -4.97 115.22 115.68 1nsa n HIS 49 Ca 0.13 0.86 -0.08 0.00 -0.26 0.00 0.00 57.72 58.36 1nsa n HIS 49 Cb 0.50 -4.45 -0.00 0.00 1.12 0.00 0.00 29.99 27.15 1nsa n HIS 49 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1nsa n SER 50 N -3.14 -1.18 -4.43 0.41 3.41 -0.88 -5.02 113.62 102.79 1nsa n SER 50 Ca -0.17 -2.18 -0.30 0.00 -0.26 0.00 0.00 58.87 55.95 1nsa n SER 50 Cb 0.64 2.07 -0.13 0.00 -0.26 0.00 0.00 64.21 66.53 1nsa n SER 50 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1nsa s THR 51 N -2.57 2.59 -0.08 6.66 2.01 -1.26 -1.16 115.64 121.84 1nsa s THR 51 Ca 0.16 -1.38 0.00 0.00 0.31 0.00 0.00 61.69 60.78 1nsa s THR 51 Cb -0.02 -2.11 0.02 0.00 0.01 0.00 0.00 72.50 70.41 1nsa s THR 51 CO 0.11 0.26 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.55 1nsa s VAL 52 N -0.97 0.82 -0.15 3.82 1.01 -0.36 -4.60 120.40 119.97 1nsa s VAL 52 Ca 0.15 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 1nsa s VAL 52 Cb -0.10 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1nsa s VAL 52 CO 0.06 0.32 0.04 -1.81 0.00 0.00 0.00 175.10 173.70 1nsa s ASP 53 N 1.39 5.44 0.03 3.32 1.01 0.75 -1.21 116.67 127.40 1nsa s ASP 53 Ca -0.02 0.08 -0.23 0.00 0.71 0.00 0.00 52.55 53.09 1nsa s ASP 53 Cb -0.13 -1.83 0.05 0.00 1.01 0.00 0.00 42.92 42.02 1nsa s ASP 53 CO -0.04 0.24 0.52 0.72 0.21 0.00 0.00 175.17 176.82 1nsa s PHE 54 N -0.01 -0.43 0.01 4.23 -0.12 -0.23 -0.72 117.98 120.70 1nsa s PHE 54 Ca 0.05 0.54 0.04 0.00 -0.05 0.00 0.00 56.93 57.50 1nsa s PHE 54 Cb -0.12 0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 42.56 1nsa s PHE 54 CO 0.01 -0.62 -0.08 -0.98 -0.05 0.00 0.00 175.22 173.50 1nsa s ARG 55 N -2.18 2.48 -0.04 1.99 1.70 0.91 -0.43 118.95 123.38 1nsa s ARG 55 Ca -0.07 -0.76 0.06 0.00 -0.47 0.00 0.00 55.73 54.49 1nsa s ARG 55 Cb -0.01 -2.46 -0.01 0.00 -0.57 0.00 0.00 34.95 31.91 1nsa s ARG 55 CO 0.00 0.59 -0.21 0.08 -1.08 0.00 0.00 175.30 174.69 1nsa s VAL 56 N -0.98 1.71 0.47 4.99 1.01 -0.49 -1.89 120.40 125.21 1nsa s VAL 56 Ca 0.17 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 61.03 1nsa s VAL 56 Cb -0.11 -1.45 -0.07 0.00 0.00 0.00 0.00 36.38 34.75 1nsa s VAL 56 CO 0.07 0.48 1.16 -0.54 0.00 0.00 0.00 175.10 176.28 1nsa s LYS 57 N -0.19 3.71 0.31 2.72 1.02 -1.26 -3.06 119.74 122.99 1nsa s LYS 57 Ca -0.00 1.76 0.08 0.00 0.02 0.00 0.00 55.97 57.83 1nsa s LYS 57 Cb -0.11 -2.37 0.85 0.00 -0.52 0.00 0.00 37.83 35.68 1nsa s LYS 57 CO 0.02 -0.59 1.70 0.00 -0.92 0.00 0.00 175.35 175.56 1nsa h ALA 58 N 1.96 1.64 0.00 5.17 0.00 -1.84 0.03 119.26 126.22 1nsa h ALA 58 Ca -0.49 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1nsa h ALA 58 Cb 1.25 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1nsa h ALA 58 CO 0.60 -0.37 -0.01 1.05 0.00 0.00 0.00 179.25 180.52 1nsa h GLU 59 N 0.44 0.00 -0.01 0.00 9.09 -1.91 -3.09 114.58 119.10 1nsa h GLU 59 Ca 0.62 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.03 1nsa h GLU 59 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 1nsa h GLU 59 CO -0.53 0.01 -0.82 -0.25 0.05 0.00 0.00 179.01 177.47 1nsa n ASP 60 N -3.10 1.33 -0.16 3.06 8.00 -0.03 -4.72 116.55 120.93 1nsa n ASP 60 Ca 0.01 -1.15 -0.02 0.00 0.71 0.00 0.00 54.79 54.33 1nsa n ASP 60 Cb 0.34 0.81 0.06 0.00 -0.02 0.00 0.00 41.12 42.31 1nsa n ASP 60 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1nsa h ILE 61 N 0.81 0.65 -0.21 0.53 1.08 -1.41 -2.05 117.51 116.91 1nsa h ILE 61 Ca 0.00 -0.05 -0.19 0.00 -0.39 0.00 0.00 64.86 64.22 1nsa h ILE 61 Cb 0.58 0.48 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 1nsa h ILE 61 CO 0.00 0.03 -0.64 -0.07 -0.69 0.00 0.00 178.15 176.78 1nsa h LEU 62 N 0.15 0.85 -0.99 1.44 3.38 -1.84 -2.28 115.31 116.02 1nsa h LEU 62 Ca 0.25 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1nsa h LEU 62 Cb 0.36 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1nsa h LEU 62 CO -0.38 1.27 0.26 0.00 0.09 0.00 0.00 178.44 179.68 1nsa h ALA 63 N 0.73 1.20 0.00 1.53 0.00 -1.82 -0.12 119.26 120.77 1nsa h ALA 63 Ca -0.01 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.50 1nsa h ALA 63 Cb 1.24 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1nsa h ALA 63 CO 0.13 0.58 -0.93 0.28 0.00 0.00 0.00 179.25 179.31 1nsa h VAL 64 N 0.97 1.41 -0.02 0.00 2.07 -1.31 -1.66 116.25 117.71 1nsa h VAL 64 Ca 0.22 -2.47 -0.13 0.00 0.82 0.00 0.00 66.70 65.14 1nsa h VAL 64 Cb 0.20 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 1nsa h VAL 64 CO -0.02 0.73 -0.61 -0.33 0.02 0.00 0.00 177.57 177.36 1nsa h GLU 65 N 0.22 0.07 -0.03 1.57 5.08 -1.20 -1.25 114.58 119.04 1nsa h GLU 65 Ca -0.07 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1nsa h GLU 65 Cb 1.57 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.82 1nsa h GLU 65 CO 0.16 0.66 0.01 -0.44 -1.00 0.00 0.00 179.01 178.40 1nsa h ASP 66 N 0.05 0.05 -0.79 1.42 3.32 -0.99 -2.46 116.42 117.03 1nsa h ASP 66 Ca -0.01 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 56.84 1nsa h ASP 66 Cb 1.10 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.58 1nsa h ASP 66 CO 0.08 0.29 0.49 0.15 -1.72 0.00 0.00 179.24 178.53 1nsa h PHE 67 N -0.19 0.90 -0.29 4.55 3.04 -0.88 0.31 116.94 124.39 1nsa h PHE 67 Ca 0.01 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.92 1nsa h PHE 67 Cb 0.26 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.47 1nsa h PHE 67 CO 0.01 0.48 -0.07 -0.07 -2.02 0.00 0.00 178.31 176.64 1nsa h LEU 68 N 0.92 0.56 -0.27 0.59 3.38 -1.24 -1.91 115.31 117.33 1nsa h LEU 68 Ca 0.33 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1nsa h LEU 68 Cb 0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1nsa h LEU 68 CO -0.15 0.80 0.09 -0.33 0.09 0.00 0.00 178.44 178.94 1nsa h GLU 69 N 0.31 0.42 0.00 1.13 5.08 -1.07 0.39 114.58 120.84 1nsa h GLU 69 Ca 0.07 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1nsa h GLU 69 Cb 0.56 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1nsa h GLU 69 CO 0.03 0.48 0.00 1.04 -1.00 0.00 0.00 179.01 179.55 1nsa n GLN 70 N -4.73 0.05 -0.02 2.33 6.02 0.11 -2.38 117.38 118.75 1nsa n GLN 70 Ca -0.03 0.29 0.01 0.00 -0.01 0.00 0.00 57.00 57.26 1nsa n GLN 70 Cb 0.15 -1.60 0.02 0.00 1.02 0.00 0.00 30.24 29.84 1nsa n GLN 70 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1nsa n ASN 71 N -1.69 2.11 -3.20 1.08 4.13 -0.73 -5.00 115.26 111.95 1nsa n ASN 71 Ca 0.03 -1.99 -0.22 0.00 1.68 0.00 0.00 54.58 54.08 1nsa n ASN 71 Cb 0.19 -0.03 0.06 0.00 -1.54 0.00 0.00 39.78 38.46 1nsa n ASN 71 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1nsa n GLU 72 N -0.37 -6.57 -3.47 3.52 1.02 -0.52 -4.98 120.64 109.28 1nsa n GLU 72 Ca 0.01 0.79 -0.38 0.00 -0.02 0.00 0.00 57.16 57.57 1nsa n GLU 72 Cb 0.27 -5.62 -0.09 0.00 -0.02 0.00 0.00 31.44 25.98 1nsa n GLU 72 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nsa s LEU 73 N -6.67 4.10 -0.07 -4.62 2.01 0.13 -5.02 118.68 108.53 1nsa s LEU 73 Ca 0.47 0.31 -0.29 0.00 0.01 0.00 0.00 54.13 54.62 1nsa s LEU 73 Cb -0.21 -2.36 -0.02 0.00 0.01 0.00 0.00 46.19 43.61 1nsa s LEU 73 CO 0.58 -0.08 0.98 -1.58 1.01 0.00 0.00 176.35 177.26 1nsa s GLN 74 N 1.53 4.46 0.17 1.70 0.74 -1.26 -4.47 119.66 122.53 1nsa s GLN 74 Ca 0.14 1.37 0.03 0.00 0.05 0.00 0.00 55.36 56.95 1nsa s GLN 74 Cb -0.15 -3.51 -0.05 0.00 1.10 0.00 0.00 33.01 30.40 1nsa s GLN 74 CO 0.08 -0.22 -0.03 1.52 -0.55 0.00 0.00 175.29 176.10 1nsa s TYR 75 N 1.65 1.25 -0.05 1.67 1.13 -1.26 -1.10 117.35 120.64 1nsa s TYR 75 Ca 0.49 -0.94 -0.06 0.00 -1.41 0.00 0.00 57.07 55.15 1nsa s TYR 75 Cb -0.19 -0.70 0.01 0.00 -1.10 0.00 0.00 41.96 39.98 1nsa s TYR 75 CO 0.21 -0.12 0.16 -2.00 -2.51 0.00 0.00 175.55 171.30 1nsa s GLU 76 N -3.86 0.27 -0.63 -3.49 2.12 0.13 -4.99 118.70 108.24 1nsa s GLU 76 Ca 0.22 0.08 -0.25 0.00 0.36 0.00 0.00 54.97 55.38 1nsa s GLU 76 Cb 0.05 0.12 0.05 0.00 0.26 0.00 0.00 34.13 34.61 1nsa s GLU 76 CO 0.03 -0.05 1.06 0.08 -0.54 0.00 0.00 175.26 175.85 1nsa s VAL 77 N -0.26 4.16 0.10 3.70 1.01 -1.26 -0.11 120.40 127.73 1nsa s VAL 77 Ca -0.04 0.20 -0.19 0.00 0.00 0.00 0.00 61.98 61.95 1nsa s VAL 77 Cb -0.03 -4.70 -0.07 0.00 0.00 0.00 0.00 36.38 31.58 1nsa s VAL 77 CO 0.01 -1.43 1.62 -0.07 0.00 0.00 0.00 175.10 175.23 1nsa h LEU 78 N 11.71 0.34 -7.27 3.92 4.07 -1.25 -3.43 115.31 123.40 1nsa h LEU 78 Ca -0.27 -0.19 -0.48 0.00 0.08 0.00 0.00 57.88 57.02 1nsa h LEU 78 Cb 1.06 -0.09 -0.40 0.00 1.08 0.00 0.00 40.66 42.32 1nsa h LEU 78 CO 1.18 0.44 -0.76 -0.63 -1.08 0.00 0.00 178.44 177.58 1nsa s ILE 79 N -5.45 0.31 0.20 1.22 1.01 -1.11 -4.92 121.20 112.45 1nsa s ILE 79 Ca -0.14 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1nsa s ILE 79 Cb 0.08 -0.77 -0.08 0.00 0.01 0.00 0.00 42.46 41.70 1nsa s ILE 79 CO 0.72 -0.10 1.48 -1.13 0.00 0.00 0.00 174.94 175.90 1nsa h ASN 80 N 8.31 0.42 -2.81 3.58 -1.24 -1.87 -1.42 115.58 120.55 1nsa h ASN 80 Ca -0.16 -0.26 -0.40 0.00 0.71 0.00 0.00 56.30 56.19 1nsa h ASN 80 Cb 1.13 -0.12 -0.39 0.00 0.73 0.00 0.00 38.32 39.67 1nsa h ASN 80 CO 0.30 0.98 -0.69 0.21 -1.29 0.00 0.00 177.43 176.93 1nsa s ASN 81 N -6.94 1.92 0.40 1.15 3.04 -1.26 -4.54 114.94 108.71 1nsa s ASN 81 Ca -0.05 -0.45 0.07 0.00 0.04 0.00 0.00 52.86 52.47 1nsa s ASN 81 Cb 0.11 0.04 0.82 0.00 -1.54 0.00 0.00 41.25 40.67 1nsa s ASN 81 CO 0.83 -0.34 2.01 0.25 -3.04 0.00 0.00 177.10 176.81 1nsa h LEU 82 N 8.37 0.44 -0.35 3.21 5.85 -1.36 -3.13 115.31 128.33 1nsa h LEU 82 Ca -0.16 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.60 1nsa h LEU 82 Cb 1.15 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 1nsa h LEU 82 CO 0.29 0.38 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.56 1nsa h ARG 83 N 0.49 -0.04 -0.32 1.25 2.43 -1.82 0.18 114.38 116.56 1nsa h ARG 83 Ca 0.13 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 1nsa h ARG 83 Cb 0.06 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 1nsa h ARG 83 CO -0.02 -0.02 -0.10 0.77 -1.51 0.00 0.00 179.97 179.09 1nsa h SER 84 N -0.04 -0.35 -0.94 -3.80 0.02 -1.90 0.13 113.55 106.67 1nsa h SER 84 Ca 0.17 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1nsa h SER 84 Cb 0.30 0.22 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 1nsa h SER 84 CO -0.38 -0.13 0.60 0.58 -1.14 0.00 0.00 176.83 176.37 1nsa h VAL 85 N -0.02 1.25 -0.49 2.27 2.07 -1.26 0.29 116.25 120.35 1nsa h VAL 85 Ca 0.16 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1nsa h VAL 85 Cb 0.26 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1nsa h VAL 85 CO -0.34 0.25 0.13 -0.07 0.02 0.00 0.00 177.57 177.55 1nsa h LEU 86 N 1.28 0.67 -0.25 2.57 3.38 0.17 -1.13 115.31 122.00 1nsa h LEU 86 Ca 0.34 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1nsa h LEU 86 Cb -0.12 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.46 1nsa h LEU 86 CO -0.07 0.66 0.00 -0.33 0.09 0.00 0.00 178.44 178.79 1nsa h GLU 87 N 0.71 0.00 -0.00 1.13 5.08 -0.08 -3.01 114.58 118.41 1nsa h GLU 87 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1nsa h GLU 87 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1nsa h GLU 87 CO -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 179.01 177.99 1nsa n ALA 88 N -2.07 2.66 0.00 3.43 0.00 0.03 -4.29 120.51 120.28 1nsa n ALA 88 Ca 0.04 -0.27 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 1nsa n ALA 88 Cb 0.48 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.43 1nsa n ALA 88 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1nsa h GLN 89 N 0.67 -0.04 -3.37 0.00 4.15 -1.37 -3.35 115.11 111.79 1nsa h GLN 89 Ca 0.00 0.00 -0.73 0.00 0.77 0.00 0.00 58.65 58.69 1nsa h GLN 89 Cb 0.20 0.01 -0.10 0.00 0.21 0.00 0.00 27.48 27.80 1nsa h GLN 89 CO 0.00 0.41 2.61 1.19 -1.93 0.00 0.00 178.83 181.11 1nsa n PHE 90 N -4.89 2.93 -1.20 3.99 3.72 -1.26 0.34 117.46 121.09 1nsa n PHE 90 Ca -0.08 -2.88 -0.01 0.00 -0.05 0.00 0.00 57.45 54.43 1nsa n PHE 90 Cb 0.24 -2.14 0.24 0.00 -0.94 0.00 0.00 39.48 36.88 1nsa n PHE 90 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1nsa n ASP 91 N 3.91 3.46 -4.74 4.37 5.75 -1.26 -4.96 116.55 123.08 1nsa n ASP 91 Ca 0.52 -3.39 -0.42 0.00 -0.01 0.00 0.00 54.79 51.49 1nsa n ASP 91 Cb 0.33 -0.63 -0.02 0.00 -1.03 0.00 0.00 41.12 39.77 1nsa n ASP 91 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1nsa n SER 92 N -0.75 3.84 -1.86 -1.12 2.88 -1.26 -4.52 113.62 110.83 1nsa n SER 92 Ca 0.32 1.13 -0.18 0.00 -1.33 0.00 0.00 58.87 58.82 1nsa n SER 92 Cb 1.08 -1.58 0.08 0.00 -0.75 0.00 0.00 64.21 63.04 1nsa n SER 92 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1nsa n VAL 93 N 2.40 2.63 -4.24 2.46 0.31 -1.26 -4.84 118.33 115.79 1nsa n VAL 93 Ca 0.10 -1.52 -0.34 0.00 -0.01 0.00 0.00 64.34 62.56 1nsa n VAL 93 Cb 0.36 -0.95 -0.11 0.00 -0.91 0.00 0.00 33.84 32.23 1nsa n VAL 93 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1nsa s SER 94 N -0.36 5.18 0.00 4.52 0.01 -1.26 -5.03 113.70 116.76 1nsa s SER 94 Ca 0.37 -0.01 0.22 0.00 1.31 0.00 0.00 55.95 57.84 1nsa s SER 94 Cb 0.30 -1.82 1.12 0.00 0.21 0.00 0.00 66.02 65.83 1nsa s SER 94 CO 0.03 0.20 1.74 -2.11 0.41 0.00 0.00 173.24 173.52 1nsa n ARG 95 N 3.35 1.27 -3.46 12.44 1.85 -1.26 -4.93 116.66 125.92 1nsa n ARG 95 Ca -0.17 -0.40 -0.38 0.00 -1.00 0.00 0.00 57.85 55.90 1nsa n ARG 95 Cb 0.52 -1.37 -0.06 0.00 -1.05 0.00 0.00 32.46 30.50 1nsa n ARG 95 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1nsa s THR 4 N -1.94 5.13 -0.17 8.89 -1.32 -1.26 -4.96 115.64 120.01 1nsa s THR 4 Ca 0.33 0.80 0.17 0.00 -1.21 0.00 0.00 61.69 61.78 1nsa s THR 4 Cb 0.16 -3.72 0.12 0.00 -1.51 0.00 0.00 72.50 67.55 1nsa s THR 4 CO 0.26 0.47 1.50 0.71 -2.21 0.00 0.00 174.62 175.36 1nsa h THR 5 N 4.17 0.71 -1.02 5.08 1.35 -2.06 -3.46 112.91 117.69 1nsa h THR 5 Ca -0.47 -1.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.45 1nsa h THR 5 Cb 1.20 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.92 1nsa h THR 5 CO 0.68 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.96 1nsa n GLY 6 N 1.11 1.57 3.72 5.82 0.00 -1.26 -5.03 105.19 111.12 1nsa n GLY 6 Ca 0.02 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 1nsa n GLY 6 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1nsa s HIS 7 N 2.07 3.07 0.07 1.61 5.65 -1.26 -5.02 115.29 121.47 1nsa s HIS 7 Ca 0.00 0.72 0.04 0.00 0.25 0.00 0.00 55.06 56.07 1nsa s HIS 7 Cb 0.00 -3.89 -0.03 0.00 -1.18 0.00 0.00 32.58 27.48 1nsa s HIS 7 CO 0.00 -3.21 -0.11 0.45 -0.65 0.00 0.00 174.74 171.22 1nsa s SER 8 N 1.00 1.38 0.12 9.88 0.15 -1.26 -5.02 113.70 119.95 1nsa s SER 8 Ca 0.68 -0.63 0.27 0.00 0.70 0.00 0.00 55.95 56.96 1nsa s SER 8 Cb -0.43 -0.01 0.83 0.00 -1.71 0.00 0.00 66.02 64.70 1nsa s SER 8 CO 0.33 -0.15 1.72 -1.22 1.20 0.00 0.00 173.24 175.12 1nsa n TYR 9 N 1.19 0.55 -0.60 3.44 4.01 -1.26 -3.68 117.16 120.82 1nsa n TYR 9 Ca -0.21 0.16 0.07 0.00 -0.16 0.00 0.00 57.90 57.77 1nsa n TYR 9 Cb 0.55 -0.72 0.23 0.00 -0.31 0.00 0.00 39.34 39.09 1nsa n TYR 9 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1nsa n GLU 10 N -1.97 3.07 -4.19 -0.72 1.02 -1.26 -4.86 120.64 111.71 1nsa n GLU 10 Ca 0.06 -2.53 -0.12 0.00 -0.02 0.00 0.00 57.16 54.55 1nsa n GLU 10 Cb 0.40 -1.62 -0.10 0.00 -0.02 0.00 0.00 31.44 30.10 1nsa n GLU 10 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1nsa s LYS 11 N -1.91 1.03 -0.15 3.49 -2.85 -1.24 -4.73 119.74 113.38 1nsa s LYS 11 Ca 0.36 -1.50 -0.23 0.00 -1.00 0.00 0.00 55.97 53.60 1nsa s LYS 11 Cb 0.25 0.02 -0.02 0.00 -2.06 0.00 0.00 37.83 36.01 1nsa s LYS 11 CO 0.14 -0.21 0.71 0.71 0.10 0.00 0.00 175.35 176.80 1nsa s TYR 12 N -3.88 3.45 -0.13 1.78 2.02 -1.26 -4.78 117.35 114.54 1nsa s TYR 12 Ca 0.25 1.12 -0.08 0.00 -0.37 0.00 0.00 57.07 57.99 1nsa s TYR 12 Cb 0.07 -2.87 -0.04 0.00 -0.40 0.00 0.00 41.96 38.72 1nsa s TYR 12 CO 0.03 -0.12 0.15 -0.80 -1.57 0.00 0.00 175.55 173.25 1nsa s ASN 13 N 1.06 6.38 1.06 2.29 0.01 -1.26 -5.01 114.94 119.46 1nsa s ASN 13 Ca 0.34 0.45 -0.16 0.00 -0.71 0.00 0.00 52.86 52.78 1nsa s ASN 13 Cb -0.17 -2.08 0.22 0.00 0.41 0.00 0.00 41.25 39.63 1nsa s ASN 13 CO 0.13 0.36 1.16 0.54 -1.51 0.00 0.00 177.10 177.79 1nsa s ASN 14 N -0.78 2.22 0.17 -1.22 2.20 -1.26 -4.68 114.94 111.60 1nsa s ASN 14 Ca 0.14 0.68 -0.11 0.00 -0.94 0.00 0.00 52.86 52.63 1nsa s ASN 14 Cb -0.12 -1.00 0.07 0.00 -2.00 0.00 0.00 41.25 38.19 1nsa s ASN 14 CO 0.03 -3.32 1.68 -0.25 -2.94 0.00 0.00 177.10 172.30 1nsa h TRP 15 N -2.03 1.00 -0.98 1.54 2.91 -1.97 0.21 115.95 116.63 1nsa h TRP 15 Ca -0.47 -0.12 0.18 0.00 1.13 0.00 0.00 58.89 59.61 1nsa h TRP 15 Cb 1.29 -0.28 -0.09 0.00 -0.51 0.00 0.00 29.16 29.57 1nsa h TRP 15 CO -1.07 0.85 0.61 1.49 -1.03 0.00 0.00 178.44 179.30 1nsa h GLU 16 N 0.86 0.69 0.00 2.65 4.81 -1.99 0.42 114.58 122.02 1nsa h GLU 16 Ca 0.19 -0.04 -0.23 0.00 -0.13 0.00 0.00 59.36 59.14 1nsa h GLU 16 Cb 0.36 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.59 1nsa h GLU 16 CO 0.00 0.45 -0.96 1.15 -0.73 0.00 0.00 179.01 178.93 1nsa h THR 17 N 0.71 1.39 -0.44 0.32 2.02 -1.68 -1.50 112.91 113.72 1nsa h THR 17 Ca 0.54 -2.43 -0.14 0.00 0.77 0.00 0.00 66.41 65.16 1nsa h THR 17 Cb 0.92 2.42 -0.01 0.00 -1.74 0.00 0.00 68.15 69.74 1nsa h THR 17 CO -0.31 0.73 -0.26 0.40 0.37 0.00 0.00 175.52 176.45 1nsa h ILE 18 N 0.25 1.27 -0.40 3.11 2.04 0.18 -1.49 117.51 122.46 1nsa h ILE 18 Ca -0.09 -1.42 -0.08 0.00 1.00 0.00 0.00 64.86 64.27 1nsa h ILE 18 Cb 1.60 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 1nsa h ILE 18 CO 0.17 0.48 -0.08 -0.08 0.00 0.00 0.00 178.15 178.65 1nsa h GLU 19 N 0.80 0.76 -0.59 2.37 4.81 -0.05 -1.34 114.58 121.34 1nsa h GLU 19 Ca 0.10 -0.28 -0.09 0.00 -0.13 0.00 0.00 59.36 58.95 1nsa h GLU 19 Cb 0.83 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 1nsa h GLU 19 CO 0.07 0.89 0.01 0.00 -0.73 0.00 0.00 179.01 179.25 1nsa h ALA 20 N 0.85 0.80 -0.59 2.92 0.00 -1.21 -2.86 119.26 119.17 1nsa h ALA 20 Ca 0.10 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 54.81 1nsa h ALA 20 Cb 0.59 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1nsa h ALA 20 CO 0.04 0.63 0.17 2.35 0.00 0.00 0.00 179.25 182.43 1nsa h TRP 21 N 0.94 0.28 0.00 0.00 7.01 -0.82 -0.12 115.95 123.23 1nsa h TRP 21 Ca 0.17 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.19 1nsa h TRP 21 Cb 0.54 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.57 1nsa h TRP 21 CO 0.04 0.03 -0.04 1.79 -2.79 0.00 0.00 178.44 177.47 1nsa h THR 22 N 0.32 0.82 0.00 2.65 1.35 -1.02 0.11 112.91 117.13 1nsa h THR 22 Ca 0.30 -0.15 -0.02 0.00 -0.55 0.00 0.00 66.41 65.99 1nsa h THR 22 Cb 0.41 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1nsa h THR 22 CO -0.35 0.04 -0.12 -0.08 -0.25 0.00 0.00 175.52 174.76 1nsa h GLU 23 N 0.00 0.00 -0.94 4.72 4.81 -1.27 -2.97 114.58 118.93 1nsa h GLU 23 Ca -0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1nsa h GLU 23 Cb 0.08 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 1nsa h GLU 23 CO 0.01 0.79 0.61 0.37 -0.73 0.00 0.00 179.01 180.05 1nsa h GLN 24 N -1.00 1.10 0.00 1.92 4.15 -0.50 -0.58 115.11 120.21 1nsa h GLN 24 Ca -0.03 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.24 1nsa h GLN 24 Cb 0.82 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 1nsa h GLN 24 CO -0.02 0.73 -0.39 -0.24 -1.93 0.00 0.00 178.83 176.98 1nsa h VAL 25 N 1.14 0.96 -0.05 2.39 3.04 -0.93 -0.60 116.25 122.19 1nsa h VAL 25 Ca 0.39 -1.51 -0.25 0.00 -1.01 0.00 0.00 66.70 64.33 1nsa h VAL 25 Cb 0.09 1.90 0.01 0.00 -2.01 0.00 0.00 31.29 31.29 1nsa h VAL 25 CO -0.15 0.38 -0.94 0.74 -1.01 0.00 0.00 177.57 176.59 1nsa h THR 26 N 0.00 1.30 -0.83 3.17 2.02 -0.98 -2.24 112.91 115.34 1nsa h THR 26 Ca -0.00 -2.18 -0.01 0.00 0.77 0.00 0.00 66.41 64.98 1nsa h THR 26 Cb 0.87 2.25 -0.04 0.00 -1.74 0.00 0.00 68.15 69.49 1nsa h THR 26 CO 0.05 0.68 0.49 0.28 0.37 0.00 0.00 175.52 177.38 1nsa h SER 27 N 0.42 1.02 1.80 4.18 0.02 -0.97 -2.04 113.55 117.96 1nsa h SER 27 Ca -0.10 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 1nsa h SER 27 Cb 1.58 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.86 1nsa h SER 27 CO 0.18 0.80 -0.14 0.11 -1.14 0.00 0.00 176.83 176.64 1nsa h LYS 28 N 1.15 0.00 -2.03 3.45 1.57 -1.09 -3.38 116.57 116.25 1nsa h LYS 28 Ca 0.30 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.57 1nsa h LYS 28 Cb -0.02 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.89 1nsa h LYS 28 CO -0.05 0.14 -1.12 0.09 -0.57 0.00 0.00 179.45 177.94 1nsa n ASN 29 N -3.14 1.05 0.25 0.86 4.13 -0.85 -4.93 115.26 112.64 1nsa n ASN 29 Ca 0.03 -3.00 0.09 0.00 1.68 0.00 0.00 54.58 53.38 1nsa n ASN 29 Cb 0.57 -0.62 0.64 0.00 -1.54 0.00 0.00 39.78 38.83 1nsa n ASN 29 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1nsa h PRO 30 N 3.27 0.00 0.00 3.52 0.11 -1.56 0.07 132.00 137.40 1nsa h PRO 30 Ca 0.10 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 1nsa h PRO 30 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1nsa h PRO 30 CO 0.53 0.07 -0.15 0.38 -0.21 0.00 0.00 178.00 178.62 1nsa h ASP 31 N 0.00 0.00 0.00 -2.05 2.03 -1.91 -3.34 116.42 111.14 1nsa h ASP 31 Ca -0.00 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 1nsa h ASP 31 Cb 0.13 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.62 1nsa h ASP 31 CO 0.01 0.15 -1.23 0.18 -1.03 0.00 0.00 179.24 177.32 1nsa n LEU 32 N -3.32 0.00 -4.23 0.15 4.32 -0.93 -4.39 117.00 108.60 1nsa n LEU 32 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.70 1nsa n LEU 32 Cb 0.38 0.07 -0.16 0.00 -1.62 0.00 0.00 43.42 42.08 1nsa n LEU 32 CO 0.31 0.07 -0.54 -0.63 -1.22 0.00 0.00 177.39 175.38 1nsa s ILE 33 N -2.13 1.76 0.05 -0.08 1.01 -0.03 -0.81 121.20 120.97 1nsa s ILE 33 Ca -0.02 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.74 1nsa s ILE 33 Cb 0.01 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 1nsa s ILE 33 CO 0.15 0.50 -0.11 -0.55 0.00 0.00 0.00 174.94 174.92 1nsa s SER 34 N -0.31 1.33 -0.05 3.58 0.15 -0.49 -4.52 113.70 113.38 1nsa s SER 34 Ca 0.03 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.16 1nsa s SER 34 Cb -0.10 -0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.19 1nsa s SER 34 CO 0.01 -0.10 -0.09 -0.60 1.20 0.00 0.00 173.24 173.66 1nsa s ARG 35 N -1.50 1.32 0.38 5.44 3.00 -1.26 -0.77 118.95 125.56 1nsa s ARG 35 Ca -0.04 -0.29 0.04 0.00 -1.00 0.00 0.00 55.73 54.44 1nsa s ARG 35 Cb -0.09 -1.15 -0.06 0.00 0.00 0.00 0.00 34.95 33.65 1nsa s ARG 35 CO 0.01 -0.00 0.05 -1.12 0.00 0.00 0.00 175.30 174.24 1nsa s SER 36 N 0.70 3.04 -0.25 -2.12 0.01 0.85 -4.97 113.70 110.96 1nsa s SER 36 Ca -0.13 -1.44 0.03 0.00 1.31 0.00 0.00 55.95 55.72 1nsa s SER 36 Cb -0.15 -0.05 0.06 0.00 0.21 0.00 0.00 66.02 66.09 1nsa s SER 36 CO 0.02 -0.62 -0.11 0.00 0.41 0.00 0.00 173.24 172.94 1nsa s ALA 37 N -3.07 2.47 -2.15 1.44 0.00 -1.26 0.53 121.76 119.71 1nsa s ALA 37 Ca 0.32 -1.66 0.16 0.00 0.00 0.00 0.00 51.96 50.78 1nsa s ALA 37 Cb 0.08 -1.53 0.61 0.00 0.00 0.00 0.00 23.12 22.27 1nsa s ALA 37 CO 0.15 -1.12 1.45 0.44 0.00 0.00 0.00 175.76 176.67 1nsa n ILE 38 N 4.48 0.27 -2.96 0.00 -5.35 0.44 -4.95 119.36 111.28 1nsa n ILE 38 Ca -0.14 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 1nsa n ILE 38 Cb 0.43 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 1nsa n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nsa n GLY 39 N 1.05 -0.76 3.29 3.28 0.00 -1.26 -4.78 105.19 106.02 1nsa n GLY 39 Ca 0.14 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.50 1nsa n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nsa s THR 40 N -2.74 1.82 1.00 2.61 -1.32 -1.26 -0.47 115.64 115.27 1nsa s THR 40 Ca 0.00 -1.45 -0.16 0.00 -1.21 0.00 0.00 61.69 58.87 1nsa s THR 40 Cb 0.00 -1.61 0.20 0.00 -1.51 0.00 0.00 72.50 69.58 1nsa s THR 40 CO 0.00 0.08 1.24 0.42 -2.21 0.00 0.00 174.62 174.16 1nsa s THR 41 N -1.00 1.91 0.16 5.08 -4.23 0.21 -4.45 115.64 113.32 1nsa s THR 41 Ca 0.08 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.33 1nsa s THR 41 Cb -0.10 -2.86 0.02 0.00 1.34 0.00 0.00 72.50 70.90 1nsa s THR 41 CO 0.04 0.00 1.58 0.15 -0.54 0.00 0.00 174.62 175.84 1nsa h PHE 42 N -1.79 -1.18 0.00 3.99 3.57 -1.95 0.33 116.94 119.90 1nsa h PHE 42 Ca -0.45 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1nsa h PHE 42 Cb 1.27 0.58 0.00 0.00 2.79 0.00 0.00 35.95 40.59 1nsa h PHE 42 CO -1.10 -0.43 0.00 -0.25 -2.23 0.00 0.00 178.31 174.30 1nsa n ASP 43 N -5.42 0.00 0.00 0.41 8.00 -1.26 -4.84 116.55 113.44 1nsa n ASP 43 Ca 0.00 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1nsa n ASP 43 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1nsa n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nsa n GLY 44 N 0.38 0.61 3.79 0.44 0.00 0.12 -5.05 105.19 105.49 1nsa n GLY 44 Ca 0.10 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1nsa n GLY 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nsa s ASP 45 N -2.30 6.08 -0.04 1.61 1.01 -1.26 -4.61 116.67 117.17 1nsa s ASP 45 Ca 0.00 1.94 -0.24 0.00 0.71 0.00 0.00 52.55 54.96 1nsa s ASP 45 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1nsa s ASP 45 CO 0.00 -0.96 0.72 0.20 0.21 0.00 0.00 175.17 175.34 1nsa s ASN 46 N -2.16 7.05 -0.69 0.27 0.02 -1.26 0.66 114.94 118.82 1nsa s ASN 46 Ca 0.67 1.26 -0.20 0.00 -1.02 0.00 0.00 52.86 53.57 1nsa s ASN 46 Cb -0.17 -2.43 0.10 0.00 0.02 0.00 0.00 41.25 38.77 1nsa s ASN 46 CO 0.26 -0.08 0.89 -0.63 0.02 0.00 0.00 177.10 177.56 1nsa s ILE 47 N 0.57 4.62 0.16 0.60 1.01 0.38 -4.92 121.20 123.61 1nsa s ILE 47 Ca 0.38 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 1nsa s ILE 47 Cb -0.18 -4.62 -0.07 0.00 0.01 0.00 0.00 42.46 37.59 1nsa s ILE 47 CO 0.19 -1.33 0.92 -0.31 0.00 0.00 0.00 174.94 174.41 1nsa s TYR 48 N 3.18 3.88 -0.06 3.97 2.02 -1.26 -0.42 117.35 128.66 1nsa s TYR 48 Ca 0.20 1.80 0.05 0.00 -0.37 0.00 0.00 57.07 58.76 1nsa s TYR 48 Cb -0.17 -2.98 -0.01 0.00 -0.40 0.00 0.00 41.96 38.40 1nsa s TYR 48 CO 0.05 0.34 -0.22 -1.17 -1.57 0.00 0.00 175.55 172.97 1nsa s LEU 49 N -0.55 2.01 -0.13 -1.29 2.96 0.19 -4.12 118.68 117.75 1nsa s LEU 49 Ca 0.43 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 1nsa s LEU 49 Cb -0.24 -1.23 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 1nsa s LEU 49 CO 0.30 0.20 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.76 1nsa s LEU 50 N -0.01 3.48 -0.29 -0.68 1.43 0.01 -0.10 118.68 122.52 1nsa s LEU 50 Ca -0.06 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1nsa s LEU 50 Cb -0.14 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.30 1nsa s LEU 50 CO 0.04 0.26 -0.01 -0.75 0.23 0.00 0.00 176.35 176.12 1nsa s LYS 51 N -0.20 2.60 -0.26 1.70 2.20 0.05 -0.25 119.74 125.58 1nsa s LYS 51 Ca 0.05 -1.15 -0.07 0.00 -0.36 0.00 0.00 55.97 54.44 1nsa s LYS 51 Cb -0.13 -3.15 -0.02 0.00 -1.51 0.00 0.00 37.83 33.03 1nsa s LYS 51 CO 0.02 -0.54 0.06 0.08 -0.36 0.00 0.00 175.35 174.61 1nsa s VAL 52 N 1.30 4.16 0.00 4.02 1.01 0.16 -1.40 120.40 129.64 1nsa s VAL 52 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1nsa s VAL 52 Cb -0.19 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1nsa s VAL 52 CO -0.02 0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1nsa n GLY 53 N 4.90 3.42 3.63 4.51 0.00 0.01 -0.40 105.19 121.26 1nsa n GLY 53 Ca -0.16 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 1nsa n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nsa s LYS 54 N -2.00 3.76 0.17 1.61 -0.14 -0.47 -4.48 119.74 118.19 1nsa s LYS 54 Ca 0.00 1.73 -0.32 0.00 -1.36 0.00 0.00 55.97 56.02 1nsa s LYS 54 Cb 0.00 -4.07 -0.11 0.00 -1.68 0.00 0.00 37.83 31.97 1nsa s LYS 54 CO 0.00 -1.34 1.69 -2.14 -0.76 0.00 0.00 175.35 172.81 1nsa s PRO 55 N 4.78 4.16 0.05 -1.68 0.02 -1.26 -4.78 135.00 136.29 1nsa s PRO 55 Ca 0.74 2.52 -0.14 0.00 0.02 0.00 0.00 61.00 64.14 1nsa s PRO 55 Cb -0.26 -3.22 0.02 0.00 0.02 0.00 0.00 34.50 31.06 1nsa s PRO 55 CO 0.30 -0.73 0.32 0.20 -0.33 0.00 0.00 177.00 176.76 1nsa s GLY 56 N 1.51 -0.14 0.17 0.52 0.00 -1.26 -5.12 107.32 102.99 1nsa s GLY 56 Ca 0.74 0.00 -0.31 0.00 0.00 0.00 0.00 44.72 45.15 1nsa s GLY 56 CO 0.32 -0.22 1.48 -0.45 0.00 0.00 0.00 173.10 174.23 1nsa s SER 57 N -2.17 6.68 -1.44 1.64 0.15 -1.26 -4.08 113.70 113.22 1nsa s SER 57 Ca -0.04 2.54 -0.05 0.00 0.70 0.00 0.00 55.95 59.10 1nsa s SER 57 Cb -0.00 -2.60 0.04 0.00 -1.71 0.00 0.00 66.02 61.75 1nsa s SER 57 CO -0.04 -0.74 0.66 -3.20 1.20 0.00 0.00 173.24 171.12 1nsa n ASN 58 N 3.58 -1.84 -4.78 5.45 5.15 -1.26 -4.99 115.26 116.56 1nsa n ASN 58 Ca 0.11 -0.91 -0.39 0.00 -0.60 0.00 0.00 54.58 52.80 1nsa n ASN 58 Cb 0.40 -3.48 -0.06 0.00 -0.53 0.00 0.00 39.78 36.12 1nsa n ASN 58 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1nsa s LYS 59 N -6.45 4.36 0.59 1.20 1.02 -1.26 -5.07 119.74 114.13 1nsa s LYS 59 Ca 0.23 0.89 -0.19 0.00 0.02 0.00 0.00 55.97 56.92 1nsa s LYS 59 Cb -0.12 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 1nsa s LYS 59 CO 0.86 0.51 1.18 -1.25 -0.92 0.00 0.00 175.35 175.73 1nsa s PRO 60 N -0.77 3.05 0.23 -1.68 0.04 -1.26 -4.71 135.00 129.91 1nsa s PRO 60 Ca 0.32 1.73 0.11 0.00 0.04 0.00 0.00 61.00 63.21 1nsa s PRO 60 Cb -0.20 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1nsa s PRO 60 CO 0.21 -1.12 -0.22 0.00 0.04 0.00 0.00 177.00 175.91 1nsa s ALA 61 N -1.71 2.59 -0.17 8.56 0.00 0.11 -1.16 121.76 129.99 1nsa s ALA 61 Ca 0.75 -1.75 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1nsa s ALA 61 Cb -0.28 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.58 1nsa s ALA 61 CO 0.32 0.34 -0.18 0.42 0.00 0.00 0.00 175.76 176.66 1nsa s ILE 62 N -2.12 1.90 -0.22 0.00 1.01 -0.32 0.61 121.20 122.06 1nsa s ILE 62 Ca 0.25 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 59.91 1nsa s ILE 62 Cb -0.06 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1nsa s ILE 62 CO 0.12 0.51 0.35 0.12 0.00 0.00 0.00 174.94 176.05 1nsa s PHE 63 N 1.32 3.33 -0.08 3.97 2.19 -0.54 -0.07 117.98 128.12 1nsa s PHE 63 Ca 0.04 0.51 0.01 0.00 0.33 0.00 0.00 56.93 57.82 1nsa s PHE 63 Cb -0.13 -2.50 0.02 0.00 -1.31 0.00 0.00 43.02 39.10 1nsa s PHE 63 CO -0.12 -0.05 -0.08 1.41 1.83 0.00 0.00 175.22 178.22 1nsa s MET 64 N 1.45 1.33 0.16 10.12 -2.45 0.32 -0.35 119.30 129.87 1nsa s MET 64 Ca 0.16 -0.24 0.11 0.00 -1.25 0.00 0.00 55.69 54.47 1nsa s MET 64 Cb -0.15 -1.28 -0.04 0.00 1.25 0.00 0.00 34.83 34.61 1nsa s MET 64 CO 0.08 -0.12 -0.25 0.16 1.05 0.00 0.00 175.02 175.94 1nsa s ASP 65 N 1.18 3.43 0.42 1.11 1.47 -0.64 -1.49 116.67 122.16 1nsa s ASP 65 Ca -0.06 -0.78 0.05 0.00 1.18 0.00 0.00 52.55 52.94 1nsa s ASP 65 Cb -0.14 -0.27 -0.06 0.00 -0.34 0.00 0.00 42.92 42.11 1nsa s ASP 65 CO -0.02 0.15 0.02 0.00 0.68 0.00 0.00 175.17 176.01 1nsa n GLY 67 N -1.00 -0.41 0.12 0.00 0.00 -1.26 -0.58 105.19 102.06 1nsa n GLY 67 Ca -0.08 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1nsa n GLY 67 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1nsa h PHE 68 N -2.07 0.34 -3.82 1.61 -1.00 -1.92 0.27 116.94 110.35 1nsa h PHE 68 Ca -0.59 -0.08 -0.65 0.00 2.81 0.00 0.00 57.97 59.46 1nsa h PHE 68 Cb 1.37 -0.08 -0.19 0.00 3.61 0.00 0.00 35.95 40.66 1nsa h PHE 68 CO 0.51 0.62 -0.54 -1.01 -1.61 0.00 0.00 178.31 176.28 1nsa s HIS 69 N -4.57 3.19 0.27 -0.55 3.76 -1.26 -4.46 115.29 111.66 1nsa s HIS 69 Ca -0.14 -0.06 -0.04 0.00 -0.15 0.00 0.00 55.06 54.66 1nsa s HIS 69 Cb 0.05 -2.36 0.53 0.00 1.11 0.00 0.00 32.58 31.91 1nsa s HIS 69 CO 0.73 -0.23 1.62 0.00 -0.85 0.00 0.00 174.74 176.00 1nsa h ALA 70 N 8.35 0.89 0.00 -1.40 0.00 -1.64 -2.06 119.26 123.41 1nsa h ALA 70 Ca -0.35 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1nsa h ALA 70 Cb 1.18 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1nsa h ALA 70 CO 0.57 -0.46 0.00 2.89 0.00 0.00 0.00 179.25 182.25 1nsa n ARG 71 N -5.39 0.66 -1.99 0.00 1.85 0.10 -4.43 116.66 107.45 1nsa n ARG 71 Ca 0.16 0.01 -0.37 0.00 -1.00 0.00 0.00 57.85 56.66 1nsa n ARG 71 Cb 0.55 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.45 1nsa n ARG 71 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1nsa n GLU 72 N -1.13 4.16 0.07 2.89 1.02 -0.77 -4.78 120.64 122.09 1nsa n GLU 72 Ca 0.17 -3.43 0.16 0.00 -0.02 0.00 0.00 57.16 54.04 1nsa n GLU 72 Cb 0.15 -2.47 0.65 0.00 -0.02 0.00 0.00 31.44 29.75 1nsa n GLU 72 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1nsa h TRP 73 N 4.08 0.05 0.00 -0.32 4.06 -1.77 -1.58 115.95 120.47 1nsa h TRP 73 Ca 0.60 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.53 1nsa h TRP 73 Cb 0.38 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.52 1nsa h TRP 73 CO 1.50 0.03 -0.10 0.97 -3.56 0.00 0.00 178.44 177.27 1nsa h ILE 74 N 0.05 1.06 0.51 1.49 6.09 -1.88 -2.30 117.51 122.53 1nsa h ILE 74 Ca 0.18 -0.36 -0.02 0.00 -1.37 0.00 0.00 64.86 63.29 1nsa h ILE 74 Cb 0.66 1.20 -0.00 0.00 0.47 0.00 0.00 36.82 39.14 1nsa h ILE 74 CO -0.01 0.10 -0.31 -1.28 -3.07 0.00 0.00 178.15 173.58 1nsa h SER 75 N 0.00 -0.77 -0.59 2.19 0.87 -1.57 0.34 113.55 114.02 1nsa h SER 75 Ca -0.00 0.04 0.11 0.00 -1.23 0.00 0.00 61.79 60.71 1nsa h SER 75 Cb 0.19 0.23 -0.09 0.00 -0.44 0.00 0.00 62.40 62.29 1nsa h SER 75 CO 0.01 -0.49 0.10 1.56 -0.53 0.00 0.00 176.83 177.49 1nsa h GLN 76 N -0.78 0.22 -0.55 2.24 7.50 -1.63 -1.03 115.11 121.09 1nsa h GLN 76 Ca -0.06 -0.01 0.03 0.00 0.50 0.00 0.00 58.65 59.10 1nsa h GLN 76 Cb 0.63 -0.05 -0.03 0.00 0.05 0.00 0.00 27.48 28.08 1nsa h GLN 76 CO 0.07 0.15 0.36 0.00 -1.50 0.00 0.00 178.83 177.91 1nsa h ALA 77 N 1.48 1.71 -0.03 3.87 0.00 -0.81 -3.03 119.26 122.45 1nsa h ALA 77 Ca 0.31 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1nsa h ALA 77 Cb 0.46 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1nsa h ALA 77 CO -0.41 0.23 0.00 0.35 0.00 0.00 0.00 179.25 179.43 1nsa h PHE 78 N 0.65 0.04 -0.14 0.00 3.57 0.43 -2.70 116.94 118.80 1nsa h PHE 78 Ca 0.22 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.75 1nsa h PHE 78 Cb 0.07 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1nsa h PHE 78 CO -0.00 0.29 0.13 0.00 -2.23 0.00 0.00 178.31 176.50 1nsa h GLN 80 N 0.00 0.28 -0.45 0.00 4.20 -1.51 -3.02 115.11 114.62 1nsa h GLN 80 Ca 0.07 -0.30 0.06 0.00 0.06 0.00 0.00 58.65 58.54 1nsa h GLN 80 Cb 0.33 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.14 1nsa h GLN 80 CO -0.00 1.00 0.15 2.35 -0.67 0.00 0.00 178.83 181.66 1nsa h TRP 81 N -0.31 0.26 -0.41 2.96 2.91 -1.11 -0.86 115.95 119.38 1nsa h TRP 81 Ca -0.05 0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.07 1nsa h TRP 81 Cb 1.14 -0.05 -0.07 0.00 -0.51 0.00 0.00 29.16 29.67 1nsa h TRP 81 CO 0.16 0.09 -0.02 0.35 -1.03 0.00 0.00 178.44 177.99 1nsa h PHE 82 N 0.31 -0.07 -0.05 2.65 3.57 -1.15 -0.50 116.94 121.71 1nsa h PHE 82 Ca 0.21 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.67 1nsa h PHE 82 Cb 0.22 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1nsa h PHE 82 CO -0.16 -0.10 -0.33 0.28 -2.23 0.00 0.00 178.31 175.76 1nsa h VAL 83 N 0.08 1.25 -0.30 1.41 2.07 -1.20 -0.23 116.25 119.33 1nsa h VAL 83 Ca 0.20 -1.21 -0.10 0.00 0.82 0.00 0.00 66.70 66.41 1nsa h VAL 83 Cb 0.30 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1nsa h VAL 83 CO -0.36 0.35 -0.22 -0.09 0.02 0.00 0.00 177.57 177.28 1nsa h ARG 84 N 0.08 0.68 -0.44 1.57 2.43 -0.24 -2.35 114.38 116.11 1nsa h ARG 84 Ca 0.01 -0.33 -0.07 0.00 -0.81 0.00 0.00 59.98 58.78 1nsa h ARG 84 Cb 0.63 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1nsa h ARG 84 CO 0.05 0.93 0.02 -0.44 -1.51 0.00 0.00 179.97 179.02 1nsa h ASP 85 N 0.43 0.75 -0.83 -3.80 5.19 -0.76 -0.39 116.42 117.01 1nsa h ASP 85 Ca 0.06 -0.30 0.07 0.00 -0.62 0.00 0.00 57.03 56.24 1nsa h ASP 85 Cb 0.77 -0.20 -0.05 0.00 0.18 0.00 0.00 39.33 40.02 1nsa h ASP 85 CO 0.06 0.86 0.54 0.00 -3.12 0.00 0.00 179.24 177.58 1nsa h ALA 86 N 0.92 1.62 0.23 3.45 0.00 -0.94 -2.49 119.26 122.05 1nsa h ALA 86 Ca 0.13 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.68 1nsa h ALA 86 Cb 0.47 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 18.06 1nsa h ALA 86 CO 0.02 0.24 -1.57 -0.39 0.00 0.00 0.00 179.25 177.55 1nsa h VAL 87 N 0.89 1.17 0.00 0.00 -1.51 -1.27 -3.21 116.25 112.32 1nsa h VAL 87 Ca 0.36 -2.64 -0.03 0.00 -1.23 0.00 0.00 66.70 63.16 1nsa h VAL 87 Cb 0.27 2.95 -0.00 0.00 -2.13 0.00 0.00 31.29 32.38 1nsa h VAL 87 CO -0.14 0.83 -0.12 0.03 -1.23 0.00 0.00 177.57 176.94 1nsa h ARG 88 N 0.14 0.00 0.00 5.19 3.08 -0.92 -3.27 114.38 118.60 1nsa h ARG 88 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1nsa h ARG 88 Cb 2.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.20 1nsa h ARG 88 CO 0.25 0.12 0.00 0.25 -1.07 0.00 0.00 179.97 179.52 1nsa n THR 89 N -3.93 0.30 -1.68 2.04 -2.24 -0.95 -4.84 114.28 102.97 1nsa n THR 89 Ca -0.02 -0.63 -0.42 0.00 -2.27 0.00 0.00 64.05 60.70 1nsa n THR 89 Cb 0.21 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 1nsa n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nsa n TYR 90 N -0.15 2.61 -0.76 4.78 9.36 -1.21 0.86 117.16 132.65 1nsa n TYR 90 Ca 0.00 -0.20 0.00 0.00 3.32 0.00 0.00 57.90 61.02 1nsa n TYR 90 Cb 0.08 -2.75 0.00 0.00 -0.63 0.00 0.00 39.34 36.04 1nsa n TYR 90 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1nsa n GLY 91 N 4.31 1.45 0.44 2.98 0.00 -1.26 -4.79 105.19 108.32 1nsa n GLY 91 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1nsa n GLY 91 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nsa n TYR 92 N -2.00 0.00 -3.36 1.61 4.02 -0.22 -5.00 117.16 112.21 1nsa n TYR 92 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.49 1nsa n TYR 92 Cb 0.00 0.01 -0.09 0.00 -0.02 0.00 0.00 39.34 39.24 1nsa n TYR 92 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1nsa s GLU 93 N -1.97 3.88 0.22 -0.72 2.02 0.25 -4.98 118.70 117.41 1nsa s GLU 93 Ca 0.00 -0.05 -0.07 0.00 0.02 0.00 0.00 54.97 54.88 1nsa s GLU 93 Cb 0.00 -3.70 0.36 0.00 0.10 0.00 0.00 34.13 30.89 1nsa s GLU 93 CO 0.00 -0.38 1.25 0.00 0.02 0.00 0.00 175.26 176.15 1nsa n ALA 94 N 5.42 0.18 -0.05 5.21 0.00 -1.26 -0.24 120.51 129.78 1nsa n ALA 94 Ca -0.08 0.88 -0.20 0.00 0.00 0.00 0.00 53.44 54.05 1nsa n ALA 94 Cb 0.50 -0.52 -0.13 0.00 0.00 0.00 0.00 19.45 19.30 1nsa n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nsa h HIS 95 N 0.00 0.19 -0.31 0.00 3.86 -1.96 -2.31 115.15 114.63 1nsa h HIS 95 Ca 0.38 -0.14 0.06 0.00 -1.16 0.00 0.00 60.37 59.51 1nsa h HIS 95 Cb 0.58 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.98 1nsa h HIS 95 CO -0.62 1.38 -0.09 1.98 0.86 0.00 0.00 177.93 181.44 1nsa h MET 96 N -0.71 -0.02 -0.73 2.45 -1.53 -1.89 0.46 114.93 112.95 1nsa h MET 96 Ca -0.23 0.00 0.08 0.00 -3.44 0.00 0.00 59.70 56.11 1nsa h MET 96 Cb 1.41 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 32.42 1nsa h MET 96 CO -0.04 -0.01 0.48 1.15 0.14 0.00 0.00 176.91 178.63 1nsa h THR 97 N -0.02 0.98 -0.09 -0.77 2.02 -0.71 -0.81 112.91 113.50 1nsa h THR 97 Ca 0.15 -0.24 -0.20 0.00 0.77 0.00 0.00 66.41 66.89 1nsa h THR 97 Cb 0.25 0.22 0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1nsa h THR 97 CO -0.33 0.13 -0.74 -0.08 0.37 0.00 0.00 175.52 174.87 1nsa h GLU 98 N 0.70 0.67 0.05 6.66 4.81 -0.80 -1.56 114.58 125.10 1nsa h GLU 98 Ca 0.33 -0.59 0.03 0.00 -0.13 0.00 0.00 59.36 59.00 1nsa h GLU 98 Cb 0.37 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 1nsa h GLU 98 CO -0.11 1.20 -0.33 0.74 -0.73 0.00 0.00 179.01 179.78 1nsa h PHE 99 N 0.33 -0.90 0.00 0.92 0.04 0.96 0.88 116.94 119.18 1nsa h PHE 99 Ca -0.07 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1nsa h PHE 99 Cb 1.38 0.39 -0.00 0.00 2.20 0.00 0.00 35.95 39.92 1nsa h PHE 99 CO 0.10 -0.43 -0.05 -0.07 -0.60 0.00 0.00 178.31 177.27 1nsa h LEU 100 N -0.51 0.00 -0.05 1.54 3.38 -1.15 0.54 115.31 119.05 1nsa h LEU 100 Ca 0.05 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.76 1nsa h LEU 100 Cb 0.57 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1nsa h LEU 100 CO -0.24 0.05 -1.04 0.44 0.09 0.00 0.00 178.44 177.74 1nsa h ASP 101 N 0.00 0.70 0.27 -0.43 3.32 -0.82 -1.26 116.42 118.20 1nsa h ASP 101 Ca -0.00 -0.59 -0.34 0.00 0.02 0.00 0.00 57.03 56.12 1nsa h ASP 101 Cb 0.33 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1nsa h ASP 101 CO 0.01 1.39 -1.80 0.78 -1.72 0.00 0.00 179.24 177.90 1nsa h ASN 102 N 0.28 0.38 -2.11 6.45 -0.26 0.59 -3.46 115.58 117.45 1nsa h ASN 102 Ca -0.12 -0.70 -0.57 0.00 -0.56 0.00 0.00 56.30 54.36 1nsa h ASN 102 Cb 1.70 -0.12 -0.10 0.00 -1.06 0.00 0.00 38.32 38.74 1nsa h ASN 102 CO 0.19 1.61 -0.64 -0.76 -1.06 0.00 0.00 177.43 176.78 1nsa s LEU 103 N -6.91 3.10 0.09 1.61 1.43 0.17 -4.23 118.68 113.93 1nsa s LEU 103 Ca -0.15 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.20 1nsa s LEU 103 Cb 0.07 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1nsa s LEU 103 CO 0.81 -0.08 0.10 -1.81 0.23 0.00 0.00 176.35 175.60 1nsa s ASP 104 N -3.69 5.60 -0.21 2.29 1.01 -0.31 -4.41 116.67 116.96 1nsa s ASP 104 Ca 0.33 0.00 -0.05 0.00 0.71 0.00 0.00 52.55 53.55 1nsa s ASP 104 Cb -0.04 -1.52 -0.02 0.00 1.01 0.00 0.00 42.92 42.34 1nsa s ASP 104 CO 0.20 0.16 -0.01 -0.36 0.21 0.00 0.00 175.17 175.37 1nsa s PHE 105 N -1.43 3.00 -0.30 4.23 0.08 0.46 -1.17 117.98 122.85 1nsa s PHE 105 Ca 0.30 -0.63 -0.18 0.00 0.12 0.00 0.00 56.93 56.54 1nsa s PHE 105 Cb -0.12 -2.10 -0.01 0.00 -0.57 0.00 0.00 43.02 40.22 1nsa s PHE 105 CO 0.23 -0.36 0.53 0.71 -0.10 0.00 0.00 175.22 176.23 1nsa s TYR 106 N 1.21 3.22 -0.22 0.36 2.02 0.90 0.37 117.35 125.21 1nsa s TYR 106 Ca 0.03 0.44 -0.01 0.00 -0.37 0.00 0.00 57.07 57.16 1nsa s TYR 106 Cb -0.15 -2.85 0.02 0.00 -0.40 0.00 0.00 41.96 38.58 1nsa s TYR 106 CO 0.00 -0.42 -0.11 0.08 -1.57 0.00 0.00 175.55 173.53 1nsa s VAL 107 N 2.40 2.63 -0.59 0.71 1.01 0.65 -0.53 120.40 126.69 1nsa s VAL 107 Ca 0.21 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 1nsa s VAL 107 Cb -0.15 -2.24 0.15 0.00 0.00 0.00 0.00 36.38 34.14 1nsa s VAL 107 CO 0.11 0.36 0.48 -0.22 0.00 0.00 0.00 175.10 175.83 1nsa s LEU 108 N 1.33 5.90 0.44 3.92 0.20 -0.55 -0.80 118.68 129.11 1nsa s LEU 108 Ca 0.03 -2.28 0.23 0.00 0.69 0.00 0.00 54.13 52.80 1nsa s LEU 108 Cb -0.15 -2.04 0.96 0.00 -0.43 0.00 0.00 46.19 44.53 1nsa s LEU 108 CO -0.07 -0.61 1.85 1.55 -0.29 0.00 0.00 176.35 178.77 1nsa h PRO 109 N 8.04 0.00 -2.49 0.98 0.13 -1.86 0.45 132.00 137.25 1nsa h PRO 109 Ca -0.11 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.65 1nsa h PRO 109 Cb 1.04 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.81 1nsa h PRO 109 CO 0.82 0.25 -0.67 0.08 -0.23 0.00 0.00 178.00 178.25 1nsa s VAL 110 N -3.76 -0.28 -0.06 1.56 1.01 -1.25 -4.28 120.40 113.33 1nsa s VAL 110 Ca -0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 61.98 61.35 1nsa s VAL 110 Cb 0.11 -0.84 -0.19 0.00 0.00 0.00 0.00 36.38 35.46 1nsa s VAL 110 CO 0.64 -0.41 0.98 0.25 0.00 0.00 0.00 175.10 176.55 1nsa h LEU 111 N 8.32 -0.07 -7.63 3.92 5.85 -0.68 -3.40 115.31 121.62 1nsa h LEU 111 Ca -0.16 -0.54 -0.78 0.00 0.84 0.00 0.00 57.88 57.23 1nsa h LEU 111 Cb 1.10 0.02 -0.26 0.00 0.37 0.00 0.00 40.66 41.89 1nsa h LEU 111 CO 0.33 0.55 0.58 0.21 -0.34 0.00 0.00 178.44 179.78 1nsa s ASN 112 N -5.72 7.20 0.14 1.25 3.04 0.93 -4.82 114.94 116.96 1nsa s ASN 112 Ca -0.15 -3.35 -0.12 0.00 0.04 0.00 0.00 52.86 49.28 1nsa s ASN 112 Cb 0.00 -2.25 -0.02 0.00 -1.54 0.00 0.00 41.25 37.45 1nsa s ASN 112 CO 0.59 -0.42 1.53 0.40 -3.04 0.00 0.00 177.10 176.16 1nsa h ILE 113 N 4.02 1.28 -0.76 -5.21 2.04 -1.84 -2.07 117.51 114.97 1nsa h ILE 113 Ca 0.19 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 1nsa h ILE 113 Cb 0.90 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 1nsa h ILE 113 CO 1.03 0.43 0.33 0.44 0.00 0.00 0.00 178.15 180.38 1nsa h ASP 114 N 0.69 1.02 -0.13 1.72 3.32 -1.96 -1.77 116.42 119.32 1nsa h ASP 114 Ca 0.10 -0.14 -0.15 0.00 0.02 0.00 0.00 57.03 56.87 1nsa h ASP 114 Cb 0.70 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1nsa h ASP 114 CO 0.05 0.89 -0.43 1.23 -1.72 0.00 0.00 179.24 179.26 1nsa h GLY 115 N 1.13 0.73 1.03 2.75 0.00 -1.75 -2.09 103.07 104.87 1nsa h GLY 115 Ca 0.26 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.77 1nsa h GLY 115 CO -0.03 0.68 0.18 -1.82 0.00 0.00 0.00 176.54 175.56 1nsa h TYR 116 N 0.54 1.08 -0.16 5.60 3.20 -0.74 0.61 116.97 127.10 1nsa h TYR 116 Ca 0.04 -0.12 -0.14 0.00 3.14 0.00 0.00 58.73 61.65 1nsa h TYR 116 Cb 0.97 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1nsa h TYR 116 CO 0.05 0.88 -0.51 0.82 -1.64 0.00 0.00 178.16 177.76 1nsa h ILE 117 N 0.96 1.33 -0.61 1.81 2.04 -1.28 -2.40 117.51 119.35 1nsa h ILE 117 Ca 0.21 -1.74 -0.05 0.00 1.00 0.00 0.00 64.86 64.28 1nsa h ILE 117 Cb 0.33 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 1nsa h ILE 117 CO -0.00 0.53 0.18 0.22 0.00 0.00 0.00 178.15 179.08 1nsa h TYR 118 N 0.34 0.96 0.00 1.37 3.20 -0.63 0.40 116.97 122.61 1nsa h TYR 118 Ca 0.01 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1nsa h TYR 118 Cb 1.01 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1nsa h TYR 118 CO 0.03 0.78 0.00 1.79 -1.64 0.00 0.00 178.16 179.12 1nsa h THR 119 N 0.90 0.00 0.10 1.81 1.35 -0.45 0.30 112.91 116.92 1nsa h THR 119 Ca 0.20 -0.43 -0.21 0.00 -0.55 0.00 0.00 66.41 65.42 1nsa h THR 119 Cb 0.27 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1nsa h THR 119 CO -0.01 0.00 -1.06 -0.50 -0.25 0.00 0.00 175.52 173.71 1nsa h TRP 120 N 0.00 0.38 0.07 4.73 4.06 -0.85 -3.28 115.95 121.05 1nsa h TRP 120 Ca 0.00 -0.27 -0.25 0.00 2.06 0.00 0.00 58.89 60.43 1nsa h TRP 120 Cb 0.44 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.58 1nsa h TRP 120 CO 0.00 1.41 -1.31 1.79 -3.56 0.00 0.00 178.44 176.78 1nsa h THR 121 N -0.48 1.02 0.00 1.49 1.35 -0.71 -3.47 112.91 112.12 1nsa h THR 121 Ca -0.23 -2.33 -0.01 0.00 -0.55 0.00 0.00 66.41 63.30 1nsa h THR 121 Cb 1.59 2.62 -0.00 0.00 -1.73 0.00 0.00 68.15 70.62 1nsa h THR 121 CO 0.05 0.61 -0.46 0.29 -0.25 0.00 0.00 175.52 175.75 1nsa n LYS 122 N -4.08 0.02 -3.63 4.72 5.02 0.95 -5.06 118.16 116.10 1nsa n LYS 122 Ca -0.26 0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 55.78 1nsa n LYS 122 Cb 0.82 -0.54 -0.17 0.00 -0.02 0.00 0.00 35.03 35.12 1nsa n LYS 122 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1nsa s ASN 123 N -5.63 2.35 0.51 4.39 2.47 -0.53 -4.98 114.94 113.51 1nsa s ASN 123 Ca -0.01 -0.60 0.34 0.00 0.42 0.00 0.00 52.86 53.01 1nsa s ASN 123 Cb 0.00 -0.28 1.80 0.00 -1.45 0.00 0.00 41.25 41.33 1nsa s ASN 123 CO 0.02 -0.34 2.04 -0.09 -3.72 0.00 0.00 177.10 175.01 1nsa h ARG 124 N 8.40 0.00 -0.49 0.43 9.65 -1.82 -2.51 114.38 128.04 1nsa h ARG 124 Ca -0.15 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 1nsa h ARG 124 Cb 1.14 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 1nsa h ARG 124 CO 0.29 0.00 0.00 -0.12 2.80 0.00 0.00 179.97 182.94 1nsa n MET 125 N -2.72 2.55 -2.58 0.20 1.56 -1.26 -4.60 117.12 110.27 1nsa n MET 125 Ca -0.02 -2.30 -0.35 0.00 -0.27 0.00 0.00 57.70 54.76 1nsa n MET 125 Cb 0.08 -1.46 -0.04 0.00 2.15 0.00 0.00 33.22 33.95 1nsa n MET 125 CO 0.00 0.00 0.00 -0.46 -0.73 0.00 0.00 175.97 174.78 1nsa s TRP 126 N -1.15 3.10 0.00 1.12 -0.11 -0.95 -4.83 118.94 116.13 1nsa s TRP 126 Ca 0.37 1.60 0.00 0.00 1.22 0.00 0.00 56.10 59.29 1nsa s TRP 126 Cb 0.20 -3.06 0.00 0.00 -1.50 0.00 0.00 33.47 29.12 1nsa s TRP 126 CO 0.27 -0.69 0.00 0.54 -4.62 0.00 0.00 176.95 172.45 1nsa n ARG 127 N -0.69 0.00 -0.57 5.86 1.74 -1.26 -0.73 116.66 121.01 1nsa n ARG 127 Ca 0.08 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.96 1nsa n ARG 127 Cb 0.52 -0.52 0.17 0.00 -1.02 0.00 0.00 32.46 31.61 1nsa n ARG 127 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1nsa n LYS 128 N -2.64 -2.78 -0.77 5.56 5.02 -1.26 -2.46 118.16 118.82 1nsa n LYS 128 Ca 0.00 -1.12 -0.19 0.00 -2.02 0.00 0.00 58.31 54.98 1nsa n LYS 128 Cb 0.35 -1.13 0.15 0.00 -0.02 0.00 0.00 35.03 34.38 1nsa n LYS 128 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1nsa n THR 129 N -4.27 0.00 -1.58 -0.18 -2.24 -0.54 -4.46 114.28 101.01 1nsa n THR 129 Ca 0.10 -0.37 -0.08 0.00 -2.27 0.00 0.00 64.05 61.43 1nsa n THR 129 Cb 0.39 -1.27 0.16 0.00 -2.10 0.00 0.00 70.33 67.52 1nsa n THR 129 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nsa n ARG 130 N -3.41 2.15 -3.10 -0.78 5.12 -1.26 -3.91 116.66 111.47 1nsa n ARG 130 Ca 0.10 -3.40 -0.32 0.00 -1.93 0.00 0.00 57.85 52.30 1nsa n ARG 130 Cb 0.37 -1.90 -0.05 0.00 -1.16 0.00 0.00 32.46 29.72 1nsa n ARG 130 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1nsa s SER 131 N -2.81 6.71 0.23 0.55 1.04 -1.26 -4.74 113.70 113.42 1nsa s SER 131 Ca 0.46 1.23 -0.30 0.00 0.48 0.00 0.00 55.95 57.82 1nsa s SER 131 Cb 0.41 -2.35 -0.09 0.00 0.10 0.00 0.00 66.02 64.09 1nsa s SER 131 CO -0.01 -0.24 0.98 -0.89 0.98 0.00 0.00 173.24 174.07 1nsa s THR 132 N -2.05 4.00 -0.11 2.02 2.01 -1.26 0.73 115.64 120.98 1nsa s THR 132 Ca 0.53 1.94 0.00 0.00 0.31 0.00 0.00 61.69 64.47 1nsa s THR 132 Cb -0.10 -4.24 -0.02 0.00 0.01 0.00 0.00 72.50 68.15 1nsa s THR 132 CO 0.20 0.44 -0.10 0.20 -0.69 0.00 0.00 174.62 174.67 1nsa s ASN 133 N -0.90 4.31 0.25 3.53 0.01 -1.21 -4.86 114.94 116.07 1nsa s ASN 133 Ca 0.43 -0.20 -0.31 0.00 -0.71 0.00 0.00 52.86 52.07 1nsa s ASN 133 Cb -0.27 -1.41 -0.12 0.00 0.41 0.00 0.00 41.25 39.87 1nsa s ASN 133 CO 0.34 0.24 1.67 0.00 -1.51 0.00 0.00 177.10 177.84 1nsa n ALA 134 N 3.02 2.74 -0.65 0.60 0.00 -1.26 -3.17 120.51 121.78 1nsa n ALA 134 Ca -0.18 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1nsa n ALA 134 Cb 0.53 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.48 1nsa n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nsa n GLY 135 N 3.08 0.79 3.27 0.00 0.00 -1.26 -4.99 105.19 106.08 1nsa n GLY 135 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 1nsa n GLY 135 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nsa s SER 136 N -2.79 -0.13 -0.04 1.61 0.15 -1.19 -5.01 113.70 106.30 1nsa s SER 136 Ca 0.00 -0.33 0.21 0.00 0.70 0.00 0.00 55.95 56.54 1nsa s SER 136 Cb 0.00 0.41 0.68 0.00 -1.71 0.00 0.00 66.02 65.40 1nsa s SER 136 CO 0.00 -0.74 1.58 -1.54 1.20 0.00 0.00 173.24 173.74 1nsa n SER 137 N 0.10 4.26 -4.74 5.45 3.41 -1.26 -4.52 113.62 116.32 1nsa n SER 137 Ca -0.17 -2.15 -0.40 0.00 -0.26 0.00 0.00 58.87 55.90 1nsa n SER 137 Cb 0.62 -0.53 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 1nsa n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nsa s THR 139 N 0.14 5.09 0.00 0.00 2.01 -1.26 -3.31 115.64 118.30 1nsa s THR 139 Ca 0.39 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.46 1nsa s THR 139 Cb -0.20 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.01 1nsa s THR 139 CO 0.22 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.23 1nsa n GLY 140 N 3.42 2.51 3.64 4.40 0.00 0.22 -4.84 105.19 114.54 1nsa n GLY 140 Ca -0.17 -1.69 -0.26 0.00 0.00 0.00 0.00 46.02 43.91 1nsa n GLY 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nsa s THR 141 N -1.70 3.56 -0.32 2.61 2.01 -1.26 -4.83 115.64 115.71 1nsa s THR 141 Ca 0.00 -1.53 -0.29 0.00 0.31 0.00 0.00 61.69 60.18 1nsa s THR 141 Cb 0.00 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.72 1nsa s THR 141 CO 0.00 -0.14 1.19 -0.62 -0.69 0.00 0.00 174.62 174.36 1nsa s ASP 142 N -2.99 6.78 0.40 3.53 -1.08 0.11 -1.46 116.67 121.96 1nsa s ASP 142 Ca 0.27 1.08 0.06 0.00 -0.52 0.00 0.00 52.55 53.45 1nsa s ASP 142 Cb -0.09 -2.54 0.81 0.00 -1.46 0.00 0.00 42.92 39.64 1nsa s ASP 142 CO 0.18 -1.01 2.03 1.55 0.52 0.00 0.00 175.17 178.44 1nsa h PRO 143 N 8.76 0.55 -0.45 4.34 0.13 -1.87 -1.49 132.00 141.97 1nsa h PRO 143 Ca -0.23 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1nsa h PRO 143 Cb 1.08 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1nsa h PRO 143 CO 1.04 0.40 0.00 -1.71 -0.23 0.00 0.00 178.00 177.50 1nsa n ASN 144 N -4.44 0.48 -0.08 1.44 5.15 -1.26 -1.86 115.26 114.68 1nsa n ASN 144 Ca 0.03 -2.00 0.01 0.00 -0.60 0.00 0.00 54.58 52.02 1nsa n ASN 144 Cb 0.09 -0.22 0.01 0.00 -0.53 0.00 0.00 39.78 39.12 1nsa n ASN 144 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1nsa n ARG 145 N -0.27 0.51 -0.50 1.20 1.74 -0.57 -2.71 116.66 116.07 1nsa n ARG 145 Ca 0.00 -0.54 0.11 0.00 -0.77 0.00 0.00 57.85 56.65 1nsa n ARG 145 Cb 0.12 -0.97 0.34 0.00 -1.02 0.00 0.00 32.46 30.93 1nsa n ARG 145 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1nsa n ASN 146 N -0.06 4.36 -4.94 0.55 4.05 -0.78 -4.38 115.26 114.05 1nsa n ASN 146 Ca 0.01 -2.22 -0.24 0.00 0.45 0.00 0.00 54.58 52.59 1nsa n ASN 146 Cb 0.06 -0.54 -0.00 0.00 1.23 0.00 0.00 39.78 40.52 1nsa n ASN 146 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 1nsa s PHE 147 N -1.43 3.41 -1.53 1.20 0.40 -0.15 0.38 117.98 120.26 1nsa s PHE 147 Ca 0.50 0.34 -0.09 0.00 -0.60 0.00 0.00 56.93 57.09 1nsa s PHE 147 Cb 0.29 -2.07 -0.03 0.00 0.51 0.00 0.00 43.02 41.73 1nsa s PHE 147 CO 0.29 -0.07 2.79 -1.71 0.70 0.00 0.00 175.22 177.22 1nsa n ASN 148 N -1.92 8.56 -4.02 1.36 4.05 -1.26 -4.20 115.26 117.83 1nsa n ASN 148 Ca -0.02 -2.75 -0.31 0.00 0.45 0.00 0.00 54.58 51.95 1nsa n ASN 148 Cb 0.57 -1.50 -0.15 0.00 1.23 0.00 0.00 39.78 39.93 1nsa n ASN 148 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1nsa s ALA 149 N 1.14 2.79 -1.26 5.20 0.00 -1.26 -4.73 121.76 123.64 1nsa s ALA 149 Ca 0.65 -2.38 -0.03 0.00 0.00 0.00 0.00 51.96 50.20 1nsa s ALA 149 Cb 0.18 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.43 1nsa s ALA 149 CO -0.07 -1.61 0.22 0.41 0.00 0.00 0.00 175.76 174.71 1nsa n GLY 150 N 4.30 -0.50 2.80 0.00 0.00 -1.26 -1.05 105.19 109.48 1nsa n GLY 150 Ca 0.01 0.04 -0.51 0.00 0.00 0.00 0.00 46.02 45.56 1nsa n GLY 150 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1nsa n TRP 151 N -3.77 1.10 -1.43 1.61 -0.00 -1.26 -0.62 117.44 113.08 1nsa n TRP 151 Ca -0.12 0.73 -0.15 0.00 -0.00 0.00 0.00 57.50 57.96 1nsa n TRP 151 Cb 0.60 -1.87 -0.06 0.00 -0.00 0.00 0.00 31.31 29.98 1nsa n TRP 151 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1nsa h THR 153 N 0.00 0.00 -2.76 0.00 1.35 -1.21 -3.45 112.91 106.84 1nsa h THR 153 Ca -0.31 -0.84 -0.11 0.00 -0.55 0.00 0.00 66.41 64.60 1nsa h THR 153 Cb 1.22 1.68 -0.21 0.00 -1.73 0.00 0.00 68.15 69.11 1nsa h THR 153 CO 0.45 0.00 -0.17 0.54 -0.25 0.00 0.00 175.52 176.09 1nsa s VAL 154 N -3.22 0.03 -1.46 6.82 0.11 -1.26 -4.95 120.40 116.47 1nsa s VAL 154 Ca 0.06 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 1nsa s VAL 154 Cb 0.08 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 1nsa s VAL 154 CO 0.69 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.92 1nsa n GLY 155 N 1.57 0.03 3.15 6.54 0.00 -1.26 -1.58 105.19 113.64 1nsa n GLY 155 Ca -0.19 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 1nsa n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nsa s ALA 156 N -2.78 -0.58 0.35 4.61 0.00 -1.26 -4.60 121.76 117.49 1nsa s ALA 156 Ca 0.00 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.37 1nsa s ALA 156 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1nsa s ALA 156 CO 0.00 -0.17 0.55 0.45 0.00 0.00 0.00 175.76 176.58 1nsa s SER 157 N -0.57 6.29 0.00 0.00 0.15 -0.65 -4.91 113.70 114.00 1nsa s SER 157 Ca -0.07 0.43 0.20 0.00 0.70 0.00 0.00 55.95 57.22 1nsa s SER 157 Cb -0.04 -2.02 0.34 0.00 -1.71 0.00 0.00 66.02 62.59 1nsa s SER 157 CO 0.02 -0.30 1.29 1.33 1.20 0.00 0.00 173.24 176.77 1nsa n VAL 158 N -1.78 0.44 -3.52 4.45 0.24 -1.26 -1.63 118.33 115.26 1nsa n VAL 158 Ca -0.05 -0.72 -0.39 0.00 -2.04 0.00 0.00 64.34 61.15 1nsa n VAL 158 Cb 0.56 1.01 -0.10 0.00 -1.47 0.00 0.00 33.84 33.84 1nsa n VAL 158 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1nsa s ASN 159 N -1.38 6.09 0.45 -1.34 3.04 -1.26 -4.94 114.94 115.60 1nsa s ASN 159 Ca 0.32 0.04 0.31 0.00 0.04 0.00 0.00 52.86 53.57 1nsa s ASN 159 Cb 0.19 -2.15 1.51 0.00 -1.54 0.00 0.00 41.25 39.26 1nsa s ASN 159 CO 0.27 -0.11 1.94 1.55 -3.04 0.00 0.00 177.10 177.71 1nsa h PRO 160 N 8.33 0.00 -0.01 0.43 0.13 -1.92 0.92 132.00 139.88 1nsa h PRO 160 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1nsa h PRO 160 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1nsa h PRO 160 CO 0.59 0.00 -0.19 0.00 -0.23 0.00 0.00 178.00 178.16 1nsa s ASN 162 N -2.42 7.26 0.65 0.00 0.01 0.32 -4.96 114.94 115.79 1nsa s ASN 162 Ca 0.27 1.81 0.39 0.00 -0.71 0.00 0.00 52.86 54.62 1nsa s ASN 162 Cb 0.20 -2.57 2.16 0.00 0.41 0.00 0.00 41.25 41.45 1nsa s ASN 162 CO 0.49 -0.12 2.28 -0.33 -1.51 0.00 0.00 177.10 177.90 1nsa h GLU 163 N 2.94 0.00 -0.63 -0.60 4.39 -1.87 -0.81 114.58 117.99 1nsa h GLU 163 Ca -0.47 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 58.92 1nsa h GLU 163 Cb 1.19 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.66 1nsa h GLU 163 CO 0.64 0.00 0.24 0.25 -1.16 0.00 0.00 179.01 178.98 1nsa n THR 164 N -3.26 2.83 -1.63 1.13 -2.24 -1.26 -4.35 114.28 105.49 1nsa n THR 164 Ca -0.02 -2.28 -0.44 0.00 -2.27 0.00 0.00 64.05 59.03 1nsa n THR 164 Cb 0.13 -0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 1nsa n THR 164 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nsa n TYR 165 N -1.01 2.25 1.66 4.78 9.36 -0.31 -1.64 117.16 132.25 1nsa n TYR 165 Ca 0.44 -0.20 0.14 0.00 3.32 0.00 0.00 57.90 61.60 1nsa n TYR 165 Cb 1.31 -2.74 0.80 0.00 -0.63 0.00 0.00 39.34 38.08 1nsa n TYR 165 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1nsa n GLY 167 N 0.82 -0.47 0.13 0.00 0.00 -1.26 -4.28 105.19 100.13 1nsa n GLY 167 Ca 0.19 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.61 1nsa n GLY 167 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nsa h SER 168 N 0.00 0.00 -5.01 1.61 4.64 -1.96 -3.47 113.55 109.36 1nsa h SER 168 Ca 0.00 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1nsa h SER 168 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.98 1nsa h SER 168 CO 0.00 0.03 0.18 0.00 -0.87 0.00 0.00 176.83 176.17 1nsa s ALA 169 N -3.19 -1.44 0.27 5.18 0.00 -1.26 -5.05 121.76 116.26 1nsa s ALA 169 Ca 0.07 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 1nsa s ALA 169 Cb 0.10 0.87 -0.11 0.00 0.00 0.00 0.00 23.12 23.98 1nsa s ALA 169 CO 0.68 -0.81 1.58 0.00 0.00 0.00 0.00 175.76 177.21 1nsa s ALA 170 N -3.79 3.75 -1.43 0.00 0.00 -1.26 -1.17 121.76 117.85 1nsa s ALA 170 Ca 0.04 1.52 -0.05 0.00 0.00 0.00 0.00 51.96 53.46 1nsa s ALA 170 Cb -0.02 -3.64 0.01 0.00 0.00 0.00 0.00 23.12 19.47 1nsa s ALA 170 CO -0.08 -0.93 0.72 0.39 0.00 0.00 0.00 175.76 175.86 1nsa n GLU 171 N 2.49 -5.44 0.16 0.00 1.02 0.16 -4.90 120.64 114.14 1nsa n GLU 171 Ca 0.09 0.85 0.04 0.00 -0.02 0.00 0.00 57.16 58.11 1nsa n GLU 171 Cb 0.38 -5.65 0.20 0.00 -0.02 0.00 0.00 31.44 26.34 1nsa n GLU 171 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1nsa h SER 172 N -1.66 0.00 -3.80 1.62 4.64 -1.36 -3.40 113.55 109.59 1nsa h SER 172 Ca -0.51 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.30 1nsa h SER 172 Cb 1.35 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.45 1nsa h SER 172 CO 0.54 0.47 0.47 -1.61 -0.87 0.00 0.00 176.83 175.82 1nsa s GLU 173 N -3.32 4.66 0.26 4.77 0.41 -1.26 -4.94 118.70 119.27 1nsa s GLU 173 Ca 0.01 1.78 -0.02 0.00 -0.41 0.00 0.00 54.97 56.33 1nsa s GLU 173 Cb 0.10 -3.19 0.46 0.00 -1.78 0.00 0.00 34.13 29.72 1nsa s GLU 173 CO 0.72 0.24 1.80 0.87 -0.49 0.00 0.00 175.26 178.40 1nsa h LYS 174 N 3.83 0.77 -0.04 1.61 1.57 -1.88 -0.97 116.57 121.47 1nsa h LYS 174 Ca -0.47 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1nsa h LYS 174 Cb 1.21 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 1nsa h LYS 174 CO 0.67 0.51 0.03 0.93 -0.57 0.00 0.00 179.45 181.01 1nsa h GLU 175 N 0.79 0.05 0.00 3.15 3.07 -1.92 -0.91 114.58 118.82 1nsa h GLU 175 Ca 0.43 -0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.18 1nsa h GLU 175 Cb 0.46 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 1nsa h GLU 175 CO -0.28 0.07 -0.59 1.79 -1.40 0.00 0.00 179.01 178.60 1nsa h THR 176 N 0.02 0.86 -0.29 1.13 1.35 -1.89 -2.59 112.91 111.51 1nsa h THR 176 Ca 0.01 -2.24 -0.07 0.00 -0.55 0.00 0.00 66.41 63.57 1nsa h THR 176 Cb 0.03 2.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 1nsa h THR 176 CO -0.00 0.49 -0.08 0.50 -0.25 0.00 0.00 175.52 176.18 1nsa h LYS 177 N 0.00 0.57 -0.20 4.72 1.63 -1.08 -1.11 116.57 121.09 1nsa h LYS 177 Ca -0.02 -0.22 0.04 0.00 -0.85 0.00 0.00 60.65 59.60 1nsa h LYS 177 Cb 1.41 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.97 1nsa h LYS 177 CO 0.07 0.77 -0.03 0.00 -3.45 0.00 0.00 179.45 176.80 1nsa h ALA 178 N 0.78 0.15 -0.46 5.00 0.00 -1.08 0.28 119.26 123.93 1nsa h ALA 178 Ca 0.07 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1nsa h ALA 178 Cb 0.56 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1nsa h ALA 178 CO 0.03 -0.46 -0.10 1.25 0.00 0.00 0.00 179.25 179.97 1nsa h LEU 179 N 0.02 0.88 -0.38 0.00 6.46 -1.46 0.13 115.31 120.96 1nsa h LEU 179 Ca 0.10 -0.36 -0.11 0.00 -0.12 0.00 0.00 57.88 57.39 1nsa h LEU 179 Cb 0.14 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.82 1nsa h LEU 179 CO -0.19 1.03 -0.20 0.00 -0.62 0.00 0.00 178.44 178.46 1nsa h ALA 180 N 0.88 0.54 -0.55 1.25 0.00 -0.49 -0.72 119.26 120.17 1nsa h ALA 180 Ca 0.12 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1nsa h ALA 180 Cb 0.64 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1nsa h ALA 180 CO 0.04 0.50 0.11 -0.44 0.00 0.00 0.00 179.25 179.46 1nsa h ASP 181 N 0.61 0.86 -0.33 0.00 3.32 -0.38 0.11 116.42 120.61 1nsa h ASP 181 Ca 0.08 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1nsa h ASP 181 Cb 0.76 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1nsa h ASP 181 CO 0.06 0.89 0.17 0.15 -1.72 0.00 0.00 179.24 178.79 1nsa h PHE 182 N 0.80 0.47 -0.44 4.55 3.57 -0.37 -0.71 116.94 124.80 1nsa h PHE 182 Ca 0.17 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1nsa h PHE 182 Cb 0.39 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1nsa h PHE 182 CO 0.03 0.40 0.13 0.82 -2.23 0.00 0.00 178.31 177.46 1nsa h ILE 183 N 0.40 1.18 0.00 1.41 2.04 -0.90 -1.65 117.51 120.00 1nsa h ILE 183 Ca 0.11 -0.62 -0.11 0.00 1.00 0.00 0.00 64.86 65.24 1nsa h ILE 183 Cb 0.10 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1nsa h ILE 183 CO -0.02 0.23 -0.52 0.03 0.00 0.00 0.00 178.15 177.88 1nsa h ARG 184 N 0.63 0.00 0.00 2.37 3.08 -0.32 -2.05 114.38 118.09 1nsa h ARG 184 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1nsa h ARG 184 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1nsa h ARG 184 CO -0.01 0.52 0.00 -0.91 -1.07 0.00 0.00 179.97 178.50 1nsa h ASN 185 N 0.00 0.00 -0.12 7.04 -0.26 -0.17 -3.16 115.58 118.91 1nsa h ASN 185 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1nsa h ASN 185 Cb 1.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.34 1nsa h ASN 185 CO 0.07 0.00 0.00 0.59 -1.06 0.00 0.00 177.43 177.03 1nsa n ASN 186 N -2.86 2.73 -2.00 5.81 4.13 -0.83 -5.03 115.26 117.22 1nsa n ASN 186 Ca 0.02 -2.60 -0.00 0.00 1.68 0.00 0.00 54.58 53.68 1nsa n ASN 186 Cb 0.33 -0.31 -0.00 0.00 -1.54 0.00 0.00 39.78 38.26 1nsa n ASN 186 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1nsa n LEU 187 N -0.63 0.28 0.00 3.41 7.94 -0.88 -2.28 117.00 124.84 1nsa n LEU 187 Ca 0.12 -0.15 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 1nsa n LEU 187 Cb 0.56 -0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.45 1nsa n LEU 187 CO 0.05 0.03 0.00 -1.20 -1.11 0.00 0.00 177.39 175.16 1nsa n SER 188 N 2.03 0.00 -4.64 1.96 7.64 -1.26 -4.85 113.62 114.50 1nsa n SER 188 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.46 1nsa n SER 188 Cb 0.03 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.20 1nsa n SER 188 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1nsa s ILE 189 N 0.00 3.60 -0.04 0.44 1.01 -0.96 0.10 121.20 125.35 1nsa s ILE 189 Ca 0.00 0.69 0.17 0.00 0.00 0.00 0.00 60.65 61.52 1nsa s ILE 189 Cb 0.00 -3.57 -0.27 0.00 0.01 0.00 0.00 42.46 38.64 1nsa s ILE 189 CO 0.00 -0.19 0.35 0.29 0.00 0.00 0.00 174.94 175.39 1nsa n LYS 190 N 7.56 0.61 -3.79 2.79 4.76 0.20 -4.88 118.16 125.42 1nsa n LYS 190 Ca 0.19 -0.15 -0.13 0.00 -2.87 0.00 0.00 58.31 55.36 1nsa n LYS 190 Cb 0.44 -1.42 -0.09 0.00 -1.84 0.00 0.00 35.03 32.12 1nsa n LYS 190 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nsa s ALA 191 N -3.14 -0.66 -0.15 7.82 0.00 -1.23 -3.97 121.76 120.44 1nsa s ALA 191 Ca -0.07 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1nsa s ALA 191 Cb 0.11 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1nsa s ALA 191 CO 0.73 -0.22 -0.14 -0.47 0.00 0.00 0.00 175.76 175.65 1nsa s TYR 192 N -1.02 2.15 -0.08 0.00 5.04 0.61 -1.47 117.35 122.58 1nsa s TYR 192 Ca -0.11 -1.20 0.04 0.00 -2.44 0.00 0.00 57.07 53.36 1nsa s TYR 192 Cb -0.05 -1.58 0.00 0.00 0.35 0.00 0.00 41.96 40.68 1nsa s TYR 192 CO 0.03 -0.66 -0.19 -0.51 -1.34 0.00 0.00 175.55 172.88 1nsa s LEU 193 N 1.46 1.91 -0.16 6.97 1.43 0.53 -1.28 118.68 129.54 1nsa s LEU 193 Ca 0.04 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1nsa s LEU 193 Cb -0.13 -1.14 0.05 0.00 0.03 0.00 0.00 46.19 44.99 1nsa s LEU 193 CO -0.10 0.12 -0.01 0.28 0.23 0.00 0.00 176.35 176.87 1nsa s THR 194 N 0.39 0.76 -0.26 5.49 -1.32 -0.75 -1.61 115.64 118.34 1nsa s THR 194 Ca -0.15 -0.46 -0.14 0.00 -1.21 0.00 0.00 61.69 59.73 1nsa s THR 194 Cb -0.16 -1.05 -0.04 0.00 -1.51 0.00 0.00 72.50 69.74 1nsa s THR 194 CO 0.06 0.03 0.34 -0.63 -2.21 0.00 0.00 174.62 172.21 1nsa s ILE 195 N 1.78 5.21 0.11 5.08 -1.09 -0.82 -1.45 121.20 130.01 1nsa s ILE 195 Ca 0.01 0.51 0.02 0.00 -2.23 0.00 0.00 60.65 58.95 1nsa s ILE 195 Cb -0.15 -3.67 -0.01 0.00 -1.58 0.00 0.00 42.46 37.05 1nsa s ILE 195 CO -0.07 0.19 0.05 1.41 -1.23 0.00 0.00 174.94 175.29 1nsa n HIS 196 N 5.15 -0.05 -3.56 3.97 8.25 0.14 -4.10 115.22 125.02 1nsa n HIS 196 Ca -0.10 -0.76 -0.11 0.00 -0.26 0.00 0.00 57.72 56.50 1nsa n HIS 196 Cb 0.51 0.03 -0.05 0.00 1.12 0.00 0.00 29.99 31.60 1nsa n HIS 196 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1nsa s SER 197 N -1.69 -0.39 0.00 0.41 0.15 -1.26 -0.60 113.70 110.32 1nsa s SER 197 Ca 0.08 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1nsa s SER 197 Cb 0.00 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1nsa s SER 197 CO 0.05 -0.41 0.00 0.00 1.20 0.00 0.00 173.24 174.09 1nsa n TYR 198 N 0.59 -1.49 0.00 3.44 4.11 -1.26 -4.88 117.16 117.68 1nsa n TYR 198 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.79 1nsa n TYR 198 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.92 1nsa n TYR 198 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1nsa n SER 199 N -1.92 0.00 -2.93 9.48 3.41 0.15 -4.71 113.62 117.10 1nsa n SER 199 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1nsa n SER 199 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1nsa n SER 199 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nsa n GLN 200 N -0.17 -1.36 -4.22 4.33 6.02 -0.26 -4.81 117.38 116.91 1nsa n GLN 200 Ca 0.00 1.25 -0.13 0.00 -0.01 0.00 0.00 57.00 58.12 1nsa n GLN 200 Cb 0.00 -5.31 -0.10 0.00 1.02 0.00 0.00 30.24 25.85 1nsa n GLN 200 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1nsa s MET 201 N -3.28 1.14 -0.13 -1.09 -1.94 -0.92 -1.74 119.30 111.34 1nsa s MET 201 Ca 0.09 -1.57 -0.00 0.00 -1.71 0.00 0.00 55.69 52.49 1nsa s MET 201 Cb -0.01 -0.00 0.03 0.00 2.01 0.00 0.00 34.83 36.86 1nsa s MET 201 CO 0.67 -0.26 -0.07 0.42 -0.01 0.00 0.00 175.02 175.77 1nsa s ILE 202 N -3.90 1.06 0.06 2.53 1.01 -0.07 -1.01 121.20 120.88 1nsa s ILE 202 Ca 0.30 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.55 1nsa s ILE 202 Cb 0.07 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1nsa s ILE 202 CO 0.07 0.28 0.10 -0.76 0.00 0.00 0.00 174.94 174.63 1nsa s LEU 203 N 1.68 3.92 0.23 2.97 1.43 0.92 -2.42 118.68 127.41 1nsa s LEU 203 Ca 0.03 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1nsa s LEU 203 Cb -0.14 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 1nsa s LEU 203 CO -0.08 0.19 0.12 -0.72 0.23 0.00 0.00 176.35 176.08 1nsa s TYR 204 N -1.38 1.36 0.75 0.29 -0.85 -0.98 -0.75 117.35 115.79 1nsa s TYR 204 Ca 0.29 -1.29 -0.15 0.00 -0.52 0.00 0.00 57.07 55.40 1nsa s TYR 204 Cb -0.12 -0.73 0.04 0.00 0.38 0.00 0.00 41.96 41.53 1nsa s TYR 204 CO 0.22 -0.49 1.14 -2.30 -1.52 0.00 0.00 175.55 172.60 1nsa n PRO 205 N -0.38 0.46 -3.95 -3.49 -0.02 -1.26 -1.69 135.00 124.67 1nsa n PRO 205 Ca 0.01 0.22 -0.32 0.00 -2.02 0.00 0.00 63.50 61.40 1nsa n PRO 205 Cb 0.66 -2.39 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 1nsa n PRO 205 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1nsa s TYR 206 N -1.89 3.47 -0.20 6.00 2.02 -1.26 -4.34 117.35 121.16 1nsa s TYR 206 Ca 0.75 0.26 0.12 0.00 -0.37 0.00 0.00 57.07 57.83 1nsa s TYR 206 Cb -0.32 -1.77 -0.23 0.00 -0.40 0.00 0.00 41.96 39.24 1nsa s TYR 206 CO 0.49 0.60 0.05 0.43 -1.57 0.00 0.00 175.55 175.55 1nsa n SER 207 N 0.64 0.73 0.19 2.29 7.64 -1.26 -1.45 113.62 122.41 1nsa n SER 207 Ca -0.08 0.01 0.14 0.00 1.01 0.00 0.00 58.87 59.95 1nsa n SER 207 Cb 0.52 0.42 0.51 0.00 -1.01 0.00 0.00 64.21 64.65 1nsa n SER 207 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 1nsa h TYR 208 N 0.00 0.00 -3.60 1.43 -0.00 -1.85 -0.24 116.97 112.72 1nsa h TYR 208 Ca -0.53 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.12 1nsa h TYR 208 Cb 2.12 0.00 -0.15 0.00 0.00 0.00 0.00 36.73 38.70 1nsa h TYR 208 CO 0.01 0.00 -0.28 0.34 -0.00 0.00 0.00 178.16 178.23 1nsa s ASP 209 N -5.09 -0.01 0.00 0.10 -1.08 -1.26 -4.67 116.67 104.65 1nsa s ASP 209 Ca 0.04 -0.46 0.30 0.00 -0.52 0.00 0.00 52.55 51.91 1nsa s ASP 209 Cb 0.09 0.37 1.56 0.00 -1.46 0.00 0.00 42.92 43.47 1nsa s ASP 209 CO 0.51 -0.72 2.03 -1.22 0.52 0.00 0.00 175.17 176.30 1nsa n TYR 210 N 0.10 0.00 -2.08 -5.34 4.01 -1.26 -4.45 117.16 108.13 1nsa n TYR 210 Ca -0.16 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.17 1nsa n TYR 210 Cb 0.62 -0.03 -0.02 0.00 -0.31 0.00 0.00 39.34 39.60 1nsa n TYR 210 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1nsa s LYS 211 N -2.06 4.32 0.07 -0.72 2.20 -1.26 -5.03 119.74 117.26 1nsa s LYS 211 Ca 0.42 2.24 -0.16 0.00 -0.36 0.00 0.00 55.97 58.11 1nsa s LYS 211 Cb 0.21 -3.09 -0.06 0.00 -1.51 0.00 0.00 37.83 33.38 1nsa s LYS 211 CO 0.37 -0.28 0.51 -0.51 -0.36 0.00 0.00 175.35 175.08 1nsa s LEU 212 N -1.21 4.45 0.61 5.43 1.43 -1.26 -4.08 118.68 124.04 1nsa s LEU 212 Ca 0.53 1.09 -0.17 0.00 -1.03 0.00 0.00 54.13 54.55 1nsa s LEU 212 Cb -0.40 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 42.87 1nsa s LEU 212 CO 0.49 0.23 1.13 -2.16 0.23 0.00 0.00 176.35 176.27 1nsa s PRO 213 N -1.40 3.03 0.35 1.29 0.04 -1.26 -4.90 135.00 132.15 1nsa s PRO 213 Ca 0.30 1.51 0.10 0.00 0.04 0.00 0.00 61.00 62.96 1nsa s PRO 213 Cb -0.17 -1.97 0.86 0.00 0.04 0.00 0.00 34.50 33.26 1nsa s PRO 213 CO 0.17 -1.09 1.83 0.93 0.04 0.00 0.00 177.00 178.89 1nsa h GLU 214 N 0.57 0.63 0.00 4.56 5.08 -1.98 0.65 114.58 124.09 1nsa h GLU 214 Ca -0.48 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1nsa h GLU 214 Cb 1.26 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1nsa h GLU 214 CO 0.55 0.42 0.00 -1.71 -1.00 0.00 0.00 179.01 177.27 1nsa n ASN 215 N -4.61 0.27 -0.34 1.42 4.05 -1.26 -4.63 115.26 110.15 1nsa n ASN 215 Ca 0.20 0.59 0.20 0.00 0.45 0.00 0.00 54.58 56.02 1nsa n ASN 215 Cb 0.57 -0.63 0.42 0.00 1.23 0.00 0.00 39.78 41.37 1nsa n ASN 215 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 177.26 173.43 1nsa h ASP 216 N 0.00 0.55 0.11 1.20 3.58 -1.22 -2.13 116.42 118.51 1nsa h ASP 216 Ca 0.00 0.17 -0.16 0.00 0.42 0.00 0.00 57.03 57.46 1nsa h ASP 216 Cb 0.18 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1nsa h ASP 216 CO 0.00 -0.03 -0.57 0.00 -2.88 0.00 0.00 179.24 175.76 1nsa h ALA 217 N 1.79 0.73 0.37 -0.78 0.00 -1.84 0.04 119.26 119.56 1nsa h ALA 217 Ca 0.68 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1nsa h ALA 217 Cb 1.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1nsa h ALA 217 CO -0.55 0.70 -0.18 1.49 0.00 0.00 0.00 179.25 180.71 1nsa h GLU 218 N 0.37 -0.48 -0.08 0.00 4.81 -1.80 -1.87 114.58 115.53 1nsa h GLU 218 Ca 0.00 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1nsa h GLU 218 Cb 1.10 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1nsa h GLU 218 CO 0.10 -0.20 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.10 1nsa h LEU 219 N -0.73 0.10 -0.55 1.64 3.38 -1.35 0.05 115.31 117.84 1nsa h LEU 219 Ca -0.05 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 1nsa h LEU 219 Cb 0.50 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1nsa h LEU 219 CO 0.08 0.14 -0.49 -1.13 0.09 0.00 0.00 178.44 177.13 1nsa h ASN 220 N 0.11 0.64 0.63 -0.43 -0.00 -0.83 -0.90 115.58 114.80 1nsa h ASN 220 Ca 0.03 -0.32 -0.24 0.00 -0.00 0.00 0.00 56.30 55.77 1nsa h ASN 220 Cb 0.11 -0.18 -0.00 0.00 -0.00 0.00 0.00 38.32 38.24 1nsa h ASN 220 CO 0.00 1.03 -1.07 0.28 -0.00 0.00 0.00 177.43 177.67 1nsa h SER 221 N 0.46 0.33 -0.47 1.15 0.02 -0.27 -0.38 113.55 114.39 1nsa h SER 221 Ca 0.02 -0.32 -0.05 0.00 -0.84 0.00 0.00 61.79 60.61 1nsa h SER 221 Cb 1.03 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 1nsa h SER 221 CO 0.10 1.19 0.11 0.25 -1.14 0.00 0.00 176.83 177.34 1nsa h LEU 222 N 0.09 0.72 -0.46 5.07 5.85 -1.01 -0.38 115.31 125.19 1nsa h LEU 222 Ca -0.08 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 1nsa h LEU 222 Cb 1.77 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.59 1nsa h LEU 222 CO 0.17 0.77 0.16 0.00 -0.34 0.00 0.00 178.44 179.19 1nsa h ALA 223 N 0.98 0.60 -0.74 1.25 0.00 -1.00 0.21 119.26 120.57 1nsa h ALA 223 Ca 0.15 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nsa h ALA 223 Cb 0.33 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1nsa h ALA 223 CO 0.00 0.23 0.49 -0.22 0.00 0.00 0.00 179.25 179.75 1nsa h LYS 224 N 0.60 0.97 -0.37 0.00 3.64 -0.88 -0.99 116.57 119.54 1nsa h LYS 224 Ca 0.15 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1nsa h LYS 224 Cb 0.24 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1nsa h LYS 224 CO -0.01 0.64 0.13 0.78 -2.27 0.00 0.00 179.45 178.72 1nsa h GLY 225 N 1.00 0.61 1.10 5.01 0.00 -0.65 -2.01 103.07 108.13 1nsa h GLY 225 Ca 0.27 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 1nsa h GLY 225 CO -0.06 0.33 -0.00 0.00 0.00 0.00 0.00 176.54 176.81 1nsa h ALA 226 N 0.97 0.84 0.00 3.60 0.00 -0.62 -0.29 119.26 123.77 1nsa h ALA 226 Ca 0.12 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1nsa h ALA 226 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nsa h ALA 226 CO -0.01 0.67 -0.35 0.28 0.00 0.00 0.00 179.25 179.85 1nsa h VAL 227 N 0.98 0.90 -0.14 0.00 2.07 -1.10 -0.28 116.25 118.67 1nsa h VAL 227 Ca 0.17 -1.38 -0.22 0.00 0.82 0.00 0.00 66.70 66.10 1nsa h VAL 227 Cb 0.56 1.83 0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1nsa h VAL 227 CO 0.03 0.34 -0.77 0.50 0.02 0.00 0.00 177.57 177.70 1nsa h LYS 228 N 0.00 0.72 0.02 1.57 3.64 -0.87 -2.56 116.57 119.08 1nsa h LYS 228 Ca -0.00 -0.58 -0.00 0.00 -1.27 0.00 0.00 60.65 58.79 1nsa h LYS 228 Cb 0.80 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1nsa h LYS 228 CO 0.05 1.20 -0.01 0.93 -2.27 0.00 0.00 179.45 179.34 1nsa h GLU 229 N 0.49 -0.02 -0.71 1.90 4.39 -0.67 -3.15 114.58 116.81 1nsa h GLU 229 Ca -0.05 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.76 1nsa h GLU 229 Cb 1.38 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.96 1nsa h GLU 229 CO 0.15 0.07 0.33 1.25 -1.16 0.00 0.00 179.01 179.65 1nsa h LEU 230 N -0.11 0.40 -0.67 1.33 6.46 -0.93 -1.73 115.31 120.07 1nsa h LEU 230 Ca -0.00 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 1nsa h LEU 230 Cb 0.10 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1nsa h LEU 230 CO 0.00 0.22 0.00 0.00 -0.62 0.00 0.00 178.44 178.04 1nsa n ALA 231 N -2.43 1.52 -0.03 1.25 0.00 -0.98 -3.20 120.51 116.63 1nsa n ALA 231 Ca 0.11 0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.55 1nsa n ALA 231 Cb 0.30 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 1nsa n ALA 231 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1nsa h SER 232 N 0.00 -0.25 0.00 0.00 0.02 -1.38 -0.46 113.55 111.48 1nsa h SER 232 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1nsa h SER 232 Cb 0.26 0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1nsa h SER 232 CO 0.00 -0.10 0.00 0.18 -1.14 0.00 0.00 176.83 175.77 1nsa n LEU 233 N -5.22 0.07 -0.49 5.07 4.77 -1.20 -4.50 117.00 115.51 1nsa n LEU 233 Ca -0.03 0.74 0.08 0.00 -0.03 0.00 0.00 56.01 56.78 1nsa n LEU 233 Cb 0.15 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1nsa n LEU 233 CO 0.24 -0.27 0.37 -1.22 -1.33 0.00 0.00 177.39 175.18 1nsa n TYR 234 N -1.31 0.00 -0.67 -1.77 4.01 -1.24 -4.94 117.16 111.24 1nsa n TYR 234 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1nsa n TYR 234 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1nsa n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nsa n GLY 235 N 1.02 0.71 3.68 2.72 0.00 -0.18 -5.02 105.19 108.13 1nsa n GLY 235 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1nsa n GLY 235 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nsa n THR 236 N -2.50 0.40 -3.19 2.61 -1.04 -1.26 -4.96 114.28 104.35 1nsa n THR 236 Ca 0.00 -0.07 -0.39 0.00 -2.04 0.00 0.00 64.05 61.55 1nsa n THR 236 Cb 0.00 -2.06 -0.06 0.00 -1.82 0.00 0.00 70.33 66.39 1nsa n THR 236 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1nsa s SER 237 N 2.91 6.69 0.26 8.00 0.01 -1.26 -4.12 113.70 126.19 1nsa s SER 237 Ca 0.84 0.83 0.10 0.00 1.31 0.00 0.00 55.95 59.03 1nsa s SER 237 Cb -0.52 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.34 1nsa s SER 237 CO 0.40 -0.16 -0.05 -0.31 0.41 0.00 0.00 173.24 173.52 1nsa s TYR 238 N 1.38 2.61 0.40 2.43 1.51 -1.26 -4.85 117.35 119.57 1nsa s TYR 238 Ca 0.28 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 56.13 1nsa s TYR 238 Cb -0.16 -1.17 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 1nsa s TYR 238 CO 0.11 0.62 0.06 -1.54 -1.11 0.00 0.00 175.55 173.69 1nsa s SER 239 N -3.52 3.10 0.19 2.29 1.04 -0.71 -4.98 113.70 111.11 1nsa s SER 239 Ca 0.30 -1.52 -0.23 0.00 0.48 0.00 0.00 55.95 54.98 1nsa s SER 239 Cb -0.07 0.17 0.05 0.00 0.10 0.00 0.00 66.02 66.28 1nsa s SER 239 CO 0.18 -0.73 0.70 -0.72 0.98 0.00 0.00 173.24 173.65 1nsa s TYR 240 N -3.09 -0.36 -4.63 5.02 1.13 -1.26 -0.89 117.35 113.27 1nsa s TYR 240 Ca 0.26 0.06 0.00 0.00 -1.41 0.00 0.00 57.07 55.98 1nsa s TYR 240 Cb 0.06 0.62 0.00 0.00 -1.10 0.00 0.00 41.96 41.54 1nsa s TYR 240 CO 0.13 -0.96 0.00 0.41 -2.51 0.00 0.00 175.55 172.62 1nsa n GLY 241 N -0.40 -2.30 3.78 5.49 0.00 -1.02 -4.95 105.19 105.79 1nsa n GLY 241 Ca -0.11 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 1nsa n GLY 241 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nsa s PRO 242 N -1.95 4.19 0.22 1.61 0.04 -1.26 -2.33 135.00 135.53 1nsa s PRO 242 Ca 0.00 1.52 -0.03 0.00 0.04 0.00 0.00 61.00 62.54 1nsa s PRO 242 Cb 0.00 -2.57 0.21 0.00 0.04 0.00 0.00 34.50 32.18 1nsa s PRO 242 CO 0.00 -0.12 1.61 0.78 0.04 0.00 0.00 177.00 179.30 1nsa h GLY 243 N 2.56 0.69 1.00 0.56 0.00 -1.23 -1.80 103.07 104.85 1nsa h GLY 243 Ca -0.48 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.20 1nsa h GLY 243 CO 0.62 0.59 0.21 1.76 0.00 0.00 0.00 176.54 179.72 1nsa h SER 244 N 0.54 0.35 0.49 0.19 0.02 -1.45 -0.09 113.55 113.60 1nsa h SER 244 Ca 0.06 -0.01 -0.29 0.00 -0.84 0.00 0.00 61.79 60.71 1nsa h SER 244 Cb 0.84 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.25 1nsa h SER 244 CO 0.07 0.26 -1.68 0.71 -1.14 0.00 0.00 176.83 175.05 1nsa h THR 245 N 0.42 0.89 -0.12 -2.27 1.35 -1.84 -2.04 112.91 109.30 1nsa h THR 245 Ca 0.12 -2.72 -0.03 0.00 -0.55 0.00 0.00 66.41 63.22 1nsa h THR 245 Cb -0.05 2.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 1nsa h THR 245 CO -0.03 0.56 -0.07 0.74 -0.25 0.00 0.00 175.52 176.47 1nsa h THR 246 N 0.01 1.12 0.00 6.82 2.02 -1.31 -3.43 112.91 118.15 1nsa h THR 246 Ca -0.28 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1nsa h THR 246 Cb 2.00 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 1nsa h THR 246 CO 0.09 0.16 0.00 -0.38 0.37 0.00 0.00 175.52 175.76 1nsa n ILE 247 N -4.36 0.00 -3.59 3.11 5.41 -0.05 -5.07 119.36 114.81 1nsa n ILE 247 Ca -0.01 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.64 1nsa n ILE 247 Cb 0.20 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.08 1nsa n ILE 247 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1nsa s TYR 248 N 0.20 -0.38 0.20 1.39 5.04 -0.77 -4.92 117.35 118.11 1nsa s TYR 248 Ca 0.00 0.69 -0.32 0.00 -2.44 0.00 0.00 57.07 55.00 1nsa s TYR 248 Cb 0.00 0.44 -0.15 0.00 0.35 0.00 0.00 41.96 42.60 1nsa s TYR 248 CO 0.00 -0.32 1.25 -2.30 -1.34 0.00 0.00 175.55 172.84 1nsa n PRO 249 N 0.93 1.49 -3.70 4.97 -0.02 -1.18 -4.56 135.00 132.93 1nsa n PRO 249 Ca -0.10 0.53 -0.11 0.00 -2.02 0.00 0.00 63.50 61.79 1nsa n PRO 249 Cb 0.58 -2.09 -0.12 0.00 -0.02 0.00 0.00 33.50 31.85 1nsa n PRO 249 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nsa s ALA 250 N -0.15 -0.82 0.38 3.55 0.00 -0.10 -4.19 121.76 120.43 1nsa s ALA 250 Ca 0.71 1.27 -0.04 0.00 0.00 0.00 0.00 51.96 53.90 1nsa s ALA 250 Cb -0.77 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 1nsa s ALA 250 CO 0.51 -0.30 0.65 0.00 0.00 0.00 0.00 175.76 176.63 1nsa s ALA 251 N 1.49 3.54 0.00 0.00 0.00 -0.61 -2.56 121.76 123.62 1nsa s ALA 251 Ca -0.08 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1nsa s ALA 251 Cb -0.10 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.64 1nsa s ALA 251 CO -0.11 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1nsa n GLY 252 N -1.65 0.65 3.84 0.00 0.00 -0.21 -4.52 105.19 103.29 1nsa n GLY 252 Ca -0.01 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1nsa n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nsa s GLY 253 N -2.21 2.14 0.36 -0.02 0.00 -1.10 -0.98 107.32 105.51 1nsa s GLY 253 Ca 0.00 0.23 0.14 0.00 0.00 0.00 0.00 44.72 45.09 1nsa s GLY 253 CO 0.00 0.51 1.79 1.48 0.00 0.00 0.00 173.10 176.88 1nsa h SER 254 N 1.12 0.00 -0.56 1.64 4.64 -1.89 -2.47 113.55 116.03 1nsa h SER 254 Ca -0.47 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.79 1nsa h SER 254 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 1nsa h SER 254 CO 0.61 0.41 0.14 -2.24 -0.87 0.00 0.00 176.83 174.88 1nsa h ASP 255 N 0.00 0.85 -0.27 4.97 2.03 -1.94 0.17 116.42 122.23 1nsa h ASP 255 Ca -0.00 -0.23 -0.18 0.00 -0.73 0.00 0.00 57.03 55.88 1nsa h ASP 255 Cb 0.76 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 1nsa h ASP 255 CO 0.05 0.86 -0.53 0.44 -1.03 0.00 0.00 179.24 179.04 1nsa h ASP 256 N 0.80 0.94 0.06 4.15 3.32 -1.95 -0.97 116.42 122.77 1nsa h ASP 256 Ca 0.18 -0.54 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 1nsa h ASP 256 Cb 0.34 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1nsa h ASP 256 CO 0.00 1.30 -0.03 -0.25 -1.72 0.00 0.00 179.24 178.54 1nsa h TRP 257 N 0.61 -0.08 -0.62 4.55 7.01 -1.21 -1.75 115.95 124.45 1nsa h TRP 257 Ca 0.01 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.11 1nsa h TRP 257 Cb 1.14 0.03 -0.08 0.00 -2.10 0.00 0.00 29.16 28.15 1nsa h TRP 257 CO 0.08 0.31 0.23 0.00 -2.79 0.00 0.00 178.44 176.26 1nsa h ALA 258 N 0.41 0.80 -0.25 2.65 0.00 -0.60 -0.62 119.26 121.66 1nsa h ALA 258 Ca -0.01 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1nsa h ALA 258 Cb 0.42 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1nsa h ALA 258 CO 0.01 -0.20 -0.02 -0.92 0.00 0.00 0.00 179.25 178.12 1nsa h TYR 259 N 0.40 -0.05 0.00 0.00 3.20 -1.21 0.13 116.97 119.43 1nsa h TYR 259 Ca 0.32 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.21 1nsa h TYR 259 Cb 0.41 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1nsa h TYR 259 CO -0.17 -0.06 0.00 0.09 -1.64 0.00 0.00 178.16 176.37 1nsa n ASN 260 N -5.17 0.31 0.00 -2.11 3.02 -0.66 -0.86 115.26 109.79 1nsa n ASN 260 Ca -0.01 0.59 0.14 0.00 -0.03 0.00 0.00 54.58 55.27 1nsa n ASN 260 Cb 0.14 -0.65 0.62 0.00 -0.61 0.00 0.00 39.78 39.27 1nsa n ASN 260 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nsa n GLN 261 N -1.86 0.01 0.00 3.52 1.13 0.40 -4.86 117.38 115.73 1nsa n GLN 261 Ca 0.02 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1nsa n GLN 261 Cb 0.17 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.02 1nsa n GLN 261 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nsa n GLY 262 N 1.45 1.34 3.38 1.08 0.00 -0.04 -5.06 105.19 107.35 1nsa n GLY 262 Ca 0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 1nsa n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nsa s ILE 263 N -2.00 4.82 0.50 -0.61 1.01 -0.97 -4.85 121.20 119.10 1nsa s ILE 263 Ca 0.00 -1.07 0.32 0.00 0.00 0.00 0.00 60.65 59.90 1nsa s ILE 263 Cb 0.00 -4.52 0.35 0.00 0.01 0.00 0.00 42.46 38.29 1nsa s ILE 263 CO 0.00 -1.17 2.19 0.11 0.00 0.00 0.00 174.94 176.06 1nsa h LYS 264 N 9.12 0.00 -4.37 2.79 1.57 -1.85 -3.35 116.57 120.48 1nsa h LYS 264 Ca -0.24 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.86 1nsa h LYS 264 Cb 1.08 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.03 1nsa h LYS 264 CO 1.09 0.05 -0.58 0.71 -0.57 0.00 0.00 179.45 180.15 1nsa s TYR 265 N -4.31 3.59 -0.17 -1.35 2.02 -1.25 -4.97 117.35 110.91 1nsa s TYR 265 Ca -0.04 -2.65 0.00 0.00 -0.37 0.00 0.00 57.07 54.02 1nsa s TYR 265 Cb 0.14 -3.12 0.03 0.00 -0.40 0.00 0.00 41.96 38.60 1nsa s TYR 265 CO 0.54 -0.94 -0.12 0.45 -1.57 0.00 0.00 175.55 173.91 1nsa s SER 266 N 1.34 2.96 0.09 2.29 0.15 -1.26 -0.29 113.70 118.97 1nsa s SER 266 Ca 0.10 -0.65 0.06 0.00 0.70 0.00 0.00 55.95 56.17 1nsa s SER 266 Cb -0.22 -1.16 -0.03 0.00 -1.71 0.00 0.00 66.02 62.90 1nsa s SER 266 CO -0.05 -0.11 -0.17 -0.36 1.20 0.00 0.00 173.24 173.76 1nsa s PHE 267 N 1.47 1.45 -0.09 3.44 0.08 -0.41 -4.28 117.98 119.64 1nsa s PHE 267 Ca 0.02 -0.45 -0.00 0.00 0.12 0.00 0.00 56.93 56.62 1nsa s PHE 267 Cb -0.14 -0.80 -0.03 0.00 -0.57 0.00 0.00 43.02 41.48 1nsa s PHE 267 CO -0.09 0.12 -0.07 0.99 -0.10 0.00 0.00 175.22 176.07 1nsa s THR 268 N -1.26 3.68 -0.10 0.64 2.01 0.07 -1.81 115.64 118.87 1nsa s THR 268 Ca 0.02 -0.47 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 1nsa s THR 268 Cb -0.10 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 1nsa s THR 268 CO 0.03 0.57 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.12 1nsa s PHE 269 N -0.48 2.98 -0.39 4.92 0.40 -0.53 -0.06 117.98 124.83 1nsa s PHE 269 Ca 0.07 -0.11 -0.06 0.00 -0.60 0.00 0.00 56.93 56.23 1nsa s PHE 269 Cb -0.12 -1.81 0.07 0.00 0.51 0.00 0.00 43.02 41.67 1nsa s PHE 269 CO 0.02 0.18 0.18 -1.21 0.70 0.00 0.00 175.22 175.10 1nsa s GLU 270 N -0.34 2.45 0.00 0.44 0.41 -0.18 0.28 118.70 121.75 1nsa s GLU 270 Ca 0.05 -1.46 0.00 0.00 -0.41 0.00 0.00 54.97 53.15 1nsa s GLU 270 Cb -0.12 -3.60 0.00 0.00 -1.78 0.00 0.00 34.13 28.63 1nsa s GLU 270 CO 0.02 -0.88 0.00 1.28 -0.49 0.00 0.00 175.26 175.19 1nsa n LEU 271 N 4.79 0.00 -4.67 1.80 4.77 0.24 -1.76 117.00 122.16 1nsa n LEU 271 Ca -0.09 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.59 1nsa n LEU 271 Cb 0.43 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.68 1nsa n LEU 271 CO 0.35 -0.12 0.65 -0.13 -1.33 0.00 0.00 177.39 176.80 1nsa s ARG 272 N -0.10 0.90 0.00 3.23 0.52 -1.26 -0.88 118.95 121.37 1nsa s ARG 272 Ca 0.00 1.08 0.00 0.00 -0.52 0.00 0.00 55.73 56.29 1nsa s ARG 272 Cb 0.00 -1.75 0.00 0.00 0.52 0.00 0.00 34.95 33.72 1nsa s ARG 272 CO 0.00 -2.56 0.00 -0.40 0.02 0.00 0.00 175.30 172.36 1nsa n ASP 273 N -4.13 0.00 -0.06 0.23 5.68 -1.26 -4.50 116.55 112.50 1nsa n ASP 273 Ca 0.08 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.44 1nsa n ASP 273 Cb 0.54 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.62 1nsa n ASP 273 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1nsa n LYS 274 N 0.00 1.72 0.00 0.11 5.02 -1.26 0.30 118.16 124.04 1nsa n LYS 274 Ca 0.00 -2.32 0.00 0.00 -2.02 0.00 0.00 58.31 53.97 1nsa n LYS 274 Cb 0.00 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1nsa n LYS 274 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nsa n GLY 275 N -1.20 -0.35 0.34 0.72 0.00 -1.26 -4.88 105.19 98.56 1nsa n GLY 275 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 1nsa n GLY 275 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nsa h ARG 276 N 0.00 1.19 0.00 1.61 2.43 -1.91 -3.31 114.38 114.38 1nsa h ARG 276 Ca 0.00 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1nsa h ARG 276 Cb 0.00 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 1nsa h ARG 276 CO 0.00 0.95 -0.94 1.19 -1.51 0.00 0.00 179.97 179.66 1nsa n PHE 277 N -4.28 0.00 0.00 2.20 3.72 -1.26 -4.80 117.46 113.04 1nsa n PHE 277 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1nsa n PHE 277 Cb 0.18 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1nsa n PHE 277 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nsa n GLY 278 N 2.47 3.82 0.21 1.37 0.00 -1.25 -1.62 105.19 110.19 1nsa n GLY 278 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1nsa n GLY 278 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1nsa h PHE 279 N 0.00 0.00 -1.14 1.61 0.04 -1.92 -3.35 116.94 112.18 1nsa h PHE 279 Ca 0.00 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.23 1nsa h PHE 279 Cb 0.00 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 37.95 1nsa h PHE 279 CO 0.00 0.29 0.60 0.28 -0.60 0.00 0.00 178.31 178.88 1nsa n VAL 280 N -3.58 3.31 -2.18 -0.55 0.31 -0.64 -4.39 118.33 110.62 1nsa n VAL 280 Ca -0.01 -3.00 -0.42 0.00 -0.01 0.00 0.00 64.34 60.90 1nsa n VAL 280 Cb 0.43 -1.42 -0.03 0.00 -0.91 0.00 0.00 33.84 31.91 1nsa n VAL 280 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1nsa s LEU 281 N -2.71 4.38 0.47 7.52 2.96 -1.26 -4.86 118.68 125.19 1nsa s LEU 281 Ca 0.53 2.36 -0.14 0.00 -0.22 0.00 0.00 54.13 56.66 1nsa s LEU 281 Cb 0.38 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 43.41 1nsa s LEU 281 CO -0.20 -0.62 0.90 -2.16 -1.32 0.00 0.00 176.35 172.96 1nsa s PRO 282 N 0.66 3.87 0.59 0.98 0.04 -1.26 -4.92 135.00 134.96 1nsa s PRO 282 Ca 0.62 0.75 0.30 0.00 0.04 0.00 0.00 61.00 62.71 1nsa s PRO 282 Cb -0.37 -2.24 1.82 0.00 0.04 0.00 0.00 34.50 33.76 1nsa s PRO 282 CO 0.33 -0.18 2.24 0.93 0.04 0.00 0.00 177.00 180.35 1nsa h GLU 283 N 1.02 0.00 0.00 4.56 5.08 -0.38 -1.23 114.58 123.63 1nsa h GLU 283 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1nsa h GLU 283 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1nsa h GLU 283 CO 0.62 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 179.29 1nsa h SER 284 N 0.00 0.00 -0.45 1.42 4.64 -1.81 -1.16 113.55 116.19 1nsa h SER 284 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1nsa h SER 284 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1nsa h SER 284 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1nsa n GLN 285 N -2.46 2.50 0.08 4.77 6.02 -0.46 -4.56 117.38 123.27 1nsa n GLN 285 Ca -0.01 -2.23 -0.13 0.00 -0.01 0.00 0.00 57.00 54.62 1nsa n GLN 285 Cb 0.07 -1.43 -0.07 0.00 1.02 0.00 0.00 30.24 29.83 1nsa n GLN 285 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1nsa h ILE 286 N 3.48 0.89 0.10 5.09 2.04 -1.31 -2.71 117.51 125.08 1nsa h ILE 286 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1nsa h ILE 286 Cb 0.86 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1nsa h ILE 286 CO 0.00 0.00 -0.05 -0.61 0.00 0.00 0.00 178.15 177.49 1nsa h GLN 287 N -0.13 -0.13 -0.71 2.37 4.15 -1.80 -0.63 115.11 118.23 1nsa h GLN 287 Ca -0.01 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.56 1nsa h GLN 287 Cb 0.11 0.03 -0.09 0.00 0.21 0.00 0.00 27.48 27.74 1nsa h GLN 287 CO 0.00 0.31 0.24 0.00 -1.93 0.00 0.00 178.83 177.45 1nsa h ALA 288 N 0.20 0.95 -0.81 3.38 0.00 -1.86 0.98 119.26 122.10 1nsa h ALA 288 Ca -0.01 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1nsa h ALA 288 Cb 0.49 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1nsa h ALA 288 CO 0.02 -0.25 0.50 1.15 0.00 0.00 0.00 179.25 180.67 1nsa h THR 289 N 0.37 1.06 0.07 0.00 2.02 -1.28 -2.17 112.91 112.98 1nsa h THR 289 Ca 0.39 -0.32 -0.24 0.00 0.77 0.00 0.00 66.41 67.00 1nsa h THR 289 Cb 0.59 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1nsa h THR 289 CO -0.42 0.17 -1.09 0.00 0.37 0.00 0.00 175.52 174.56 1nsa h GLN 291 N 0.09 -0.19 -0.05 0.00 4.20 -0.64 -2.07 115.11 116.44 1nsa h GLN 291 Ca -0.09 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1nsa h GLN 291 Cb 1.79 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.60 1nsa h GLN 291 CO 0.17 -0.11 -0.12 1.05 -0.67 0.00 0.00 178.83 179.15 1nsa h GLU 292 N -0.22 0.08 -0.05 1.46 4.11 -1.50 -2.64 114.58 115.83 1nsa h GLU 292 Ca -0.02 -0.01 -0.14 0.00 0.07 0.00 0.00 59.36 59.26 1nsa h GLU 292 Cb 0.17 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1nsa h GLU 292 CO 0.03 0.21 -0.60 1.15 0.07 0.00 0.00 179.01 179.87 1nsa h THR 293 N 0.08 1.40 -0.48 -1.06 2.02 -1.31 -2.65 112.91 110.90 1nsa h THR 293 Ca 0.02 -2.00 -0.00 0.00 0.77 0.00 0.00 66.41 65.20 1nsa h THR 293 Cb 0.27 2.03 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 1nsa h THR 293 CO 0.02 0.58 0.29 -0.03 0.37 0.00 0.00 175.52 176.75 1nsa h MET 294 N 0.12 0.64 -0.44 6.66 -1.53 -1.02 0.37 114.93 119.75 1nsa h MET 294 Ca -0.01 -0.05 -0.11 0.00 -3.44 0.00 0.00 59.70 56.10 1nsa h MET 294 Cb 1.09 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 31.99 1nsa h MET 294 CO 0.09 0.45 -0.14 -0.07 0.14 0.00 0.00 176.91 177.38 1nsa h LEU 295 N 0.66 0.88 -0.43 3.39 3.38 -1.34 0.31 115.31 122.16 1nsa h LEU 295 Ca 0.17 -0.38 -0.18 0.00 0.09 0.00 0.00 57.88 57.59 1nsa h LEU 295 Cb -0.03 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1nsa h LEU 295 CO -0.03 1.06 -0.66 0.00 0.09 0.00 0.00 178.44 178.89 1nsa h ALA 296 N 0.85 0.62 -0.37 1.53 0.00 -1.22 -2.57 119.26 118.11 1nsa h ALA 296 Ca 0.11 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1nsa h ALA 296 Cb 0.69 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1nsa h ALA 296 CO 0.05 0.73 0.16 0.28 0.00 0.00 0.00 179.25 180.47 1nsa h VAL 297 N 0.35 1.18 -0.38 0.00 2.07 0.26 -2.15 116.25 117.57 1nsa h VAL 297 Ca -0.02 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 1nsa h VAL 297 Cb 1.23 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1nsa h VAL 297 CO 0.12 0.19 -0.06 0.11 0.02 0.00 0.00 177.57 177.95 1nsa h LYS 298 N 0.45 0.64 0.64 1.57 1.57 -0.41 -2.17 116.57 118.87 1nsa h LYS 298 Ca 0.12 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1nsa h LYS 298 Cb 0.15 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1nsa h LYS 298 CO -0.01 0.70 -0.34 -0.92 -0.57 0.00 0.00 179.45 178.31 1nsa h TYR 299 N 0.60 -0.88 -0.01 -1.35 5.03 -1.29 0.19 116.97 119.25 1nsa h TYR 299 Ca 0.11 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.38 1nsa h TYR 299 Cb 0.47 0.30 -0.00 0.00 1.55 0.00 0.00 36.73 39.05 1nsa h TYR 299 CO 0.02 -0.53 -0.14 0.28 -1.32 0.00 0.00 178.16 176.47 1nsa h VAL 300 N -0.90 1.11 -0.32 1.81 2.07 -1.27 0.11 116.25 118.85 1nsa h VAL 300 Ca -0.08 -0.51 -0.13 0.00 0.82 0.00 0.00 66.70 66.80 1nsa h VAL 300 Cb 0.71 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1nsa h VAL 300 CO 0.12 0.15 -0.31 0.74 0.02 0.00 0.00 177.57 178.29 1nsa h THR 301 N 0.02 1.29 -0.52 2.57 2.02 -1.04 0.29 112.91 117.54 1nsa h THR 301 Ca 0.00 -1.48 -0.10 0.00 0.77 0.00 0.00 66.41 65.60 1nsa h THR 301 Cb 0.26 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1nsa h THR 301 CO 0.02 0.48 -0.08 -1.13 0.37 0.00 0.00 175.52 175.18 1nsa h ASN 302 N 0.55 0.98 0.53 4.18 -0.00 -0.69 0.19 115.58 121.31 1nsa h ASN 302 Ca 0.05 -0.34 -0.02 0.00 -0.00 0.00 0.00 56.30 55.99 1nsa h ASN 302 Cb 0.89 -0.26 -0.02 0.00 -0.00 0.00 0.00 38.32 38.93 1nsa h ASN 302 CO 0.08 1.09 -0.47 0.22 -0.00 0.00 0.00 177.43 178.35 1nsa h TYR 303 N 0.84 -1.28 -0.98 0.67 3.20 -0.45 -2.72 116.97 116.26 1nsa h TYR 303 Ca 0.14 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.07 1nsa h TYR 303 Cb 0.64 0.49 -0.06 0.00 1.54 0.00 0.00 36.73 39.34 1nsa h TYR 303 CO 0.05 -0.65 0.64 1.15 -1.64 0.00 0.00 178.16 177.71 1nsa h THR 304 N -0.99 1.11 -0.87 1.81 2.02 0.06 -2.38 112.91 113.67 1nsa h THR 304 Ca -0.06 -0.40 0.07 0.00 0.77 0.00 0.00 66.41 66.78 1nsa h THR 304 Cb 0.85 -0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.03 1nsa h THR 304 CO -0.03 0.21 0.54 0.25 0.37 0.00 0.00 175.52 176.86 1nsa h LEU 305 N 1.17 0.84 -1.61 2.58 6.46 -0.49 -0.98 115.31 123.26 1nsa h LEU 305 Ca 0.41 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.19 1nsa h LEU 305 Cb 0.13 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.91 1nsa h LEU 305 CO -0.15 0.53 0.00 -1.84 -0.62 0.00 0.00 178.44 176.35 1nsa n GLU 306 N -4.63 2.14 -2.41 1.25 0.28 -0.91 -3.62 120.64 112.75 1nsa n GLU 306 Ca 0.13 -1.05 0.01 0.00 -0.16 0.00 0.00 57.16 56.08 1nsa n GLU 306 Cb 0.19 -1.60 0.04 0.00 1.43 0.00 0.00 31.44 31.50 1nsa n GLU 306 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1nsa n HIS 307 N 0.23 0.92 1.85 -1.84 8.25 -0.38 -5.08 115.22 119.17 1nsa n HIS 307 Ca 0.09 -1.66 0.15 0.00 -0.26 0.00 0.00 57.72 56.04 1nsa n HIS 307 Cb 0.47 -0.21 0.83 0.00 1.12 0.00 0.00 29.99 32.20 1nsa n HIS 307 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26