#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n56 s ILE 2 N 0.00 1.91 -0.08 1.12 1.01 -1.26 -4.39 121.20 119.50 1n56 s ILE 2 Ca 0.00 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.78 1n56 s ILE 2 Cb 0.00 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 1n56 s ILE 2 CO 0.00 0.52 -0.19 -0.69 0.00 0.00 0.00 174.94 174.59 1n56 s VAL 3 N 0.71 2.61 -0.21 2.92 1.01 0.11 -2.01 120.40 125.53 1n56 s VAL 3 Ca -0.11 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1n56 s VAL 3 Cb -0.16 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.22 1n56 s VAL 3 CO 0.01 0.56 -0.15 -0.22 0.00 0.00 0.00 175.10 175.30 1n56 s LEU 4 N -0.06 2.67 -0.07 3.92 0.20 -0.12 -1.59 118.68 123.63 1n56 s LEU 4 Ca -0.05 -0.88 -0.03 0.00 0.69 0.00 0.00 54.13 53.86 1n56 s LEU 4 Cb -0.14 -1.53 -0.04 0.00 -0.43 0.00 0.00 46.19 44.05 1n56 s LEU 4 CO 0.04 -0.07 0.05 0.12 -0.29 0.00 0.00 176.35 176.20 1n56 s PHE 5 N 1.25 3.28 -0.09 5.38 5.36 1.00 0.34 117.98 134.49 1n56 s PHE 5 Ca 0.00 0.27 0.01 0.00 -0.96 0.00 0.00 56.93 56.25 1n56 s PHE 5 Cb -0.16 -1.81 0.02 0.00 -0.34 0.00 0.00 43.02 40.74 1n56 s PHE 5 CO -0.09 0.55 -0.10 0.08 -1.46 0.00 0.00 175.22 174.20 1n56 s VAL 6 N -0.99 1.08 -0.10 3.12 1.01 0.48 -1.12 120.40 123.89 1n56 s VAL 6 Ca 0.16 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1n56 s VAL 6 Cb -0.12 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.23 1n56 s VAL 6 CO 0.05 0.36 -0.11 -0.62 0.00 0.00 0.00 175.10 174.79 1n56 s ASP 7 N 1.25 2.10 0.25 3.32 2.15 -0.93 -1.73 116.67 123.09 1n56 s ASP 7 Ca -0.03 -0.33 -0.30 0.00 0.43 0.00 0.00 52.55 52.32 1n56 s ASP 7 Cb -0.14 -0.90 -0.09 0.00 -0.30 0.00 0.00 42.92 41.49 1n56 s ASP 7 CO -0.03 -0.04 1.18 -0.36 -0.17 0.00 0.00 175.17 175.75 1n56 s PHE 8 N 1.20 3.42 0.13 -5.34 0.08 -0.72 -1.35 117.98 115.39 1n56 s PHE 8 Ca -0.04 1.53 -0.30 0.00 0.12 0.00 0.00 56.93 58.24 1n56 s PHE 8 Cb -0.14 -3.42 -0.07 0.00 -0.57 0.00 0.00 43.02 38.82 1n56 s PHE 8 CO -0.03 -1.08 1.10 -0.51 -0.10 0.00 0.00 175.22 174.61 1n56 s ASP 9 N -0.40 7.24 -0.31 1.36 1.01 -0.99 -3.97 116.67 120.62 1n56 s ASP 9 Ca 0.49 2.01 -0.00 0.00 0.71 0.00 0.00 52.55 55.76 1n56 s ASP 9 Cb -0.34 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.00 1n56 s ASP 9 CO 0.41 -0.28 0.01 0.00 0.21 0.00 0.00 175.17 175.52 1n56 n TYR 10 N 2.94 -0.25 -0.05 4.23 0.18 -1.26 -4.53 117.16 118.41 1n56 n TYR 10 Ca 0.05 0.12 -0.01 0.00 1.88 0.00 0.00 57.90 59.93 1n56 n TYR 10 Cb 0.47 -0.54 -0.01 0.00 -0.38 0.00 0.00 39.34 38.87 1n56 n TYR 10 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1n56 n PHE 11 N -1.69 -0.05 -0.18 -3.48 7.35 -1.25 -0.40 117.46 117.75 1n56 n PHE 11 Ca -0.06 0.15 -0.00 0.00 -0.76 0.00 0.00 57.45 56.78 1n56 n PHE 11 Cb 0.14 -0.41 0.08 0.00 0.35 0.00 0.00 39.48 39.64 1n56 n PHE 11 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1n56 h TYR 12 N 0.00 -0.05 -0.08 -5.13 -1.99 -1.95 0.13 116.97 107.90 1n56 h TYR 12 Ca 0.02 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 1n56 h TYR 12 Cb 0.05 0.11 -0.00 0.00 2.00 0.00 0.00 36.73 38.89 1n56 h TYR 12 CO -0.72 -0.15 0.03 0.00 -0.00 0.00 0.00 178.16 177.32 1n56 h ALA 13 N 1.52 0.10 -0.98 3.88 0.00 -1.69 -1.87 119.26 120.21 1n56 h ALA 13 Ca 0.29 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1n56 h ALA 13 Cb 0.46 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1n56 h ALA 13 CO -0.49 -0.30 0.61 0.37 0.00 0.00 0.00 179.25 179.44 1n56 h GLN 14 N -0.05 1.00 -0.41 0.00 4.15 0.17 0.57 115.11 120.54 1n56 h GLN 14 Ca 0.02 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.33 1n56 h GLN 14 Cb 0.19 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1n56 h GLN 14 CO -0.00 0.66 0.01 0.28 -1.93 0.00 0.00 178.83 177.85 1n56 h VAL 15 N 1.03 1.22 -0.10 2.39 2.07 -0.51 -0.18 116.25 122.17 1n56 h VAL 15 Ca 0.46 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 1n56 h VAL 15 Cb 0.35 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1n56 h VAL 15 CO -0.23 0.31 -0.22 -0.33 0.02 0.00 0.00 177.57 177.12 1n56 h GLU 16 N 0.62 0.18 0.20 1.57 4.39 -0.12 -1.48 114.58 119.94 1n56 h GLU 16 Ca 0.13 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1n56 h GLU 16 Cb 0.38 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1n56 h GLU 16 CO 0.01 0.40 -0.10 0.93 -1.16 0.00 0.00 179.01 179.09 1n56 h GLU 17 N 0.16 -0.26 -0.91 2.33 5.08 0.35 -2.47 114.58 118.86 1n56 h GLU 17 Ca 0.03 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.55 1n56 h GLU 17 Cb 0.49 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.72 1n56 h GLU 17 CO 0.03 0.09 0.59 0.28 -1.00 0.00 0.00 179.01 179.00 1n56 h VAL 18 N -0.64 0.85 -0.00 3.13 2.07 -0.67 0.21 116.25 121.19 1n56 h VAL 18 Ca -0.03 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1n56 h VAL 18 Cb 0.46 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1n56 h VAL 18 CO 0.04 0.14 -0.05 0.18 0.02 0.00 0.00 177.57 177.91 1n56 n LEU 19 N -4.58 0.37 -2.84 2.57 4.32 -0.59 -4.20 117.00 112.05 1n56 n LEU 19 Ca 0.18 -0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 56.05 1n56 n LEU 19 Cb 0.45 -0.13 0.02 0.00 -1.62 0.00 0.00 43.42 42.15 1n56 n LEU 19 CO 0.29 0.06 0.10 -3.20 -1.22 0.00 0.00 177.39 173.42 1n56 n ASN 20 N -0.90 -2.35 -0.18 -1.43 2.85 0.47 -5.02 115.26 108.70 1n56 n ASN 20 Ca 0.18 -3.17 0.28 0.00 -0.11 0.00 0.00 54.58 51.76 1n56 n ASN 20 Cb 0.23 1.36 0.54 0.00 1.24 0.00 0.00 39.78 43.16 1n56 n ASN 20 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1n56 h PRO 21 N 4.06 0.00 0.00 1.20 0.11 -0.99 0.10 132.00 136.48 1n56 h PRO 21 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1n56 h PRO 21 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1n56 h PRO 21 CO 0.34 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.58 1n56 n SER 22 N -3.42 0.14 0.10 -2.05 2.88 -1.26 -1.51 113.62 108.50 1n56 n SER 22 Ca 0.21 0.56 0.12 0.00 -1.33 0.00 0.00 58.87 58.43 1n56 n SER 22 Cb 1.35 -0.58 0.27 0.00 -0.75 0.00 0.00 64.21 64.51 1n56 n SER 22 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1n56 h LEU 23 N 0.00 0.00 -9.26 2.46 3.38 -1.08 -3.46 115.31 107.34 1n56 h LEU 23 Ca 0.00 -0.08 -0.67 0.00 0.09 0.00 0.00 57.88 57.21 1n56 h LEU 23 Cb 0.09 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.87 1n56 h LEU 23 CO 0.00 0.04 0.81 0.29 0.09 0.00 0.00 178.44 179.67 1n56 n LYS 24 N -2.30 1.53 0.00 1.13 4.76 -0.57 -1.92 118.16 120.79 1n56 n LYS 24 Ca 0.04 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 56.04 1n56 n LYS 24 Cb 0.45 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.36 1n56 n LYS 24 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1n56 n GLY 25 N 3.68 2.93 3.86 0.72 0.00 -1.26 -5.05 105.19 110.07 1n56 n GLY 25 Ca 0.22 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1n56 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n56 s LYS 26 N 0.00 3.92 0.26 1.61 1.02 -0.81 -4.97 119.74 120.76 1n56 s LYS 26 Ca 0.00 0.46 -0.30 0.00 0.02 0.00 0.00 55.97 56.15 1n56 s LYS 26 Cb 0.00 -2.65 -0.09 0.00 -0.52 0.00 0.00 37.83 34.57 1n56 s LYS 26 CO 0.00 0.30 1.29 -1.25 -0.92 0.00 0.00 175.35 174.77 1n56 s PRO 27 N -2.66 4.40 -0.06 -1.68 0.04 -1.26 -4.85 135.00 128.94 1n56 s PRO 27 Ca 0.47 2.09 0.05 0.00 0.04 0.00 0.00 61.00 63.65 1n56 s PRO 27 Cb -0.12 -3.15 -0.00 0.00 0.04 0.00 0.00 34.50 31.27 1n56 s PRO 27 CO 0.20 -0.18 -0.21 0.08 0.04 0.00 0.00 177.00 176.93 1n56 s VAL 28 N -0.48 1.75 -0.16 -0.36 1.01 -1.26 -2.11 120.40 118.80 1n56 s VAL 28 Ca 0.53 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1n56 s VAL 28 Cb -0.37 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.53 1n56 s VAL 28 CO 0.44 0.49 -0.10 -0.69 0.00 0.00 0.00 175.10 175.24 1n56 s VAL 29 N 0.08 1.38 -0.21 2.92 1.01 0.81 -1.81 120.40 124.57 1n56 s VAL 29 Ca -0.08 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 1n56 s VAL 29 Cb -0.14 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1n56 s VAL 29 CO 0.04 0.31 0.51 -0.69 0.00 0.00 0.00 175.10 175.28 1n56 s VAL 30 N 1.54 5.10 0.23 2.92 1.01 0.18 -0.98 120.40 130.41 1n56 s VAL 30 Ca 0.03 0.92 0.10 0.00 0.00 0.00 0.00 61.98 63.03 1n56 s VAL 30 Cb -0.14 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1n56 s VAL 30 CO -0.09 0.16 -0.06 0.00 0.00 0.00 0.00 175.10 175.11 1n56 s VAL 32 N -2.11 2.88 -0.44 0.00 1.01 0.02 -0.52 120.40 121.24 1n56 s VAL 32 Ca 0.29 -2.75 -0.29 0.00 0.00 0.00 0.00 61.98 59.23 1n56 s VAL 32 Cb -0.07 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1n56 s VAL 32 CO 0.17 -0.74 1.26 -0.36 0.00 0.00 0.00 175.10 175.43 1n56 s PHE 33 N 0.34 2.64 0.26 5.22 0.08 -1.26 -2.35 117.98 122.91 1n56 s PHE 33 Ca 0.14 0.72 0.16 0.00 0.12 0.00 0.00 56.93 58.07 1n56 s PHE 33 Cb -0.22 -4.34 0.65 0.00 -0.57 0.00 0.00 43.02 38.54 1n56 s PHE 33 CO -0.04 -1.57 1.74 0.66 -0.10 0.00 0.00 175.22 175.91 1n56 h SER 34 N 9.81 0.00 0.00 1.36 4.64 -1.44 -3.48 113.55 124.44 1n56 h SER 34 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1n56 h SER 34 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1n56 h SER 34 CO 1.10 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 178.10 1n56 n GLY 35 N 0.03 0.76 0.11 -0.77 0.00 -1.26 -4.68 105.19 99.38 1n56 n GLY 35 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1n56 n GLY 35 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1n56 h ARG 36 N 3.17 0.00 -1.45 1.61 0.11 -1.86 -3.46 114.38 112.49 1n56 h ARG 36 Ca 0.00 0.00 0.19 0.00 0.10 0.00 0.00 59.98 60.27 1n56 h ARG 36 Cb 0.00 0.00 -0.22 0.00 1.11 0.00 0.00 29.97 30.86 1n56 h ARG 36 CO 0.00 0.00 0.74 -0.59 0.10 0.00 0.00 179.97 180.22 1n56 s PHE 37 N -3.13 -0.19 0.00 4.08 -0.12 -1.26 -4.96 117.98 112.40 1n56 s PHE 37 Ca 0.09 0.26 -0.38 0.00 -0.05 0.00 0.00 56.93 56.84 1n56 s PHE 37 Cb 0.12 0.49 -0.17 0.00 -0.63 0.00 0.00 43.02 42.83 1n56 s PHE 37 CO 0.64 -0.23 1.34 -1.91 -0.05 0.00 0.00 175.22 175.02 1n56 n GLU 38 N 0.32 0.88 -1.33 1.99 2.13 -1.26 -0.35 120.64 123.03 1n56 n GLU 38 Ca -0.04 0.32 -0.11 0.00 0.66 0.00 0.00 57.16 57.99 1n56 n GLU 38 Cb 0.59 -1.93 -0.05 0.00 0.27 0.00 0.00 31.44 30.31 1n56 n GLU 38 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1n56 n ASP 39 N 2.72 -4.50 -4.74 4.31 8.00 -1.26 -4.99 116.55 116.09 1n56 n ASP 39 Ca 0.20 0.28 -0.41 0.00 0.71 0.00 0.00 54.79 55.57 1n56 n ASP 39 Cb 0.15 -2.99 -0.05 0.00 -0.02 0.00 0.00 41.12 38.21 1n56 n ASP 39 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1n56 s SER 40 N -2.80 7.56 0.00 -2.24 1.04 0.53 -3.85 113.70 113.94 1n56 s SER 40 Ca 0.00 1.86 0.00 0.00 0.48 0.00 0.00 55.95 58.29 1n56 s SER 40 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1n56 s SER 40 CO 0.00 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.87 1n56 n GLY 41 N 1.89 0.97 3.34 7.32 0.00 -1.26 -1.02 105.19 116.43 1n56 n GLY 41 Ca 0.00 -1.95 -0.18 0.00 0.00 0.00 0.00 46.02 43.90 1n56 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n56 s ALA 42 N -1.05 1.89 -0.04 4.61 0.00 -0.99 -1.66 121.76 124.52 1n56 s ALA 42 Ca 0.00 -1.76 -0.25 0.00 0.00 0.00 0.00 51.96 49.94 1n56 s ALA 42 Cb 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1n56 s ALA 42 CO 0.00 -0.19 0.78 0.08 0.00 0.00 0.00 175.76 176.43 1n56 s VAL 43 N -3.31 4.98 0.01 0.00 1.01 -0.60 -0.80 120.40 121.69 1n56 s VAL 43 Ca 0.27 1.61 0.01 0.00 0.00 0.00 0.00 61.98 63.88 1n56 s VAL 43 Cb 0.05 -4.12 -0.26 0.00 0.00 0.00 0.00 36.38 32.05 1n56 s VAL 43 CO 0.08 0.24 0.87 0.00 0.00 0.00 0.00 175.10 176.29 1n56 h ALA 44 N 6.69 0.38 -1.15 5.51 0.00 -0.79 0.89 119.26 130.78 1n56 h ALA 44 Ca -0.41 -1.15 0.33 0.00 0.00 0.00 0.00 54.91 53.68 1n56 h ALA 44 Cb 1.20 0.26 -0.18 0.00 0.00 0.00 0.00 17.79 19.08 1n56 h ALA 44 CO 0.75 1.24 0.94 -0.08 0.00 0.00 0.00 179.25 182.10 1n56 s THR 45 N -2.63 0.00 0.04 0.00 -1.32 -1.13 -4.58 115.64 106.02 1n56 s THR 45 Ca -0.07 -0.02 -0.08 0.00 -1.21 0.00 0.00 61.69 60.30 1n56 s THR 45 Cb 0.08 -1.32 -0.00 0.00 -1.51 0.00 0.00 72.50 69.74 1n56 s THR 45 CO 0.84 0.00 0.17 0.00 -2.21 0.00 0.00 174.62 173.42 1n56 s ALA 46 N -2.14 -0.28 0.90 11.08 0.00 -1.26 -0.65 121.76 129.41 1n56 s ALA 46 Ca 0.12 -0.35 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 1n56 s ALA 46 Cb 0.02 0.27 0.13 0.00 0.00 0.00 0.00 23.12 23.54 1n56 s ALA 46 CO -0.04 -0.35 1.14 0.54 0.00 0.00 0.00 175.76 177.06 1n56 s ASN 47 N -2.09 3.65 0.58 0.00 2.20 -0.75 -4.73 114.94 113.80 1n56 s ASN 47 Ca -0.05 0.94 0.32 0.00 -0.94 0.00 0.00 52.86 53.13 1n56 s ASN 47 Cb -0.01 -1.50 1.79 0.00 -2.00 0.00 0.00 41.25 39.53 1n56 s ASN 47 CO -0.04 -2.46 2.20 1.88 -2.94 0.00 0.00 177.10 175.74 1n56 h TYR 48 N -1.44 0.00 0.53 1.54 -1.99 -1.96 -0.83 116.97 112.82 1n56 h TYR 48 Ca -0.50 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.21 1n56 h TYR 48 Cb 1.33 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.05 1n56 h TYR 48 CO 0.30 0.04 -0.36 0.93 -0.00 0.00 0.00 178.16 179.06 1n56 h GLU 49 N 0.00 -0.84 -0.35 4.88 4.39 -1.91 0.12 114.58 120.87 1n56 h GLU 49 Ca -0.00 0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 1n56 h GLU 49 Cb 0.16 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1n56 h GLU 49 CO 0.01 -0.56 0.10 0.00 -1.16 0.00 0.00 179.01 177.40 1n56 h ALA 50 N -0.51 0.46 -0.80 3.43 0.00 -1.76 -2.82 119.26 117.26 1n56 h ALA 50 Ca -0.06 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 54.82 1n56 h ALA 50 Cb 0.72 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1n56 h ALA 50 CO 0.04 0.11 0.53 -0.09 0.00 0.00 0.00 179.25 179.83 1n56 h ARG 51 N 0.41 0.53 -0.05 0.00 2.43 -0.92 0.87 114.38 117.65 1n56 h ARG 51 Ca 0.11 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1n56 h ARG 51 Cb 0.27 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1n56 h ARG 51 CO -0.00 0.35 0.09 -0.22 -1.51 0.00 0.00 179.97 178.68 1n56 h LYS 52 N 0.55 0.00 -0.45 0.20 3.64 -0.49 -1.34 116.57 118.68 1n56 h LYS 52 Ca 0.40 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.70 1n56 h LYS 52 Cb 0.75 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 1n56 h LYS 52 CO -0.15 0.00 0.06 1.19 -2.27 0.00 0.00 179.45 178.28 1n56 n PHE 53 N -3.46 1.54 0.00 1.91 3.72 0.29 -4.94 117.46 116.52 1n56 n PHE 53 Ca -0.02 -1.02 0.00 0.00 -0.05 0.00 0.00 57.45 56.36 1n56 n PHE 53 Cb 0.18 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.25 1n56 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n56 n GLY 54 N -0.30 1.91 3.64 1.37 0.00 -0.50 -4.98 105.19 106.34 1n56 n GLY 54 Ca 0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 1n56 n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n56 s VAL 55 N -2.34 4.46 0.19 1.61 1.01 -1.15 -4.98 120.40 119.19 1n56 s VAL 55 Ca 0.00 1.69 -0.16 0.00 0.00 0.00 0.00 61.98 63.51 1n56 s VAL 55 Cb 0.00 -4.34 0.02 0.00 0.00 0.00 0.00 36.38 32.06 1n56 s VAL 55 CO 0.00 -0.43 0.48 -1.59 0.00 0.00 0.00 175.10 173.56 1n56 s LYS 56 N 3.67 1.33 0.09 2.72 -2.85 -1.26 -2.65 119.74 120.80 1n56 s LYS 56 Ca 0.47 -0.91 -0.36 0.00 -1.00 0.00 0.00 55.97 54.17 1n56 s LYS 56 Cb -0.14 0.49 -0.17 0.00 -2.06 0.00 0.00 37.83 35.95 1n56 s LYS 56 CO 0.15 -0.55 1.14 0.00 0.10 0.00 0.00 175.35 176.19 1n56 n ALA 57 N -0.32 -1.91 0.00 0.59 0.00 -1.26 -2.78 120.51 114.83 1n56 n ALA 57 Ca -0.10 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1n56 n ALA 57 Cb 0.63 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1n56 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n56 n GLY 58 N 2.02 2.83 3.79 0.00 0.00 0.31 -4.97 105.19 109.18 1n56 n GLY 58 Ca 0.18 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 1n56 n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1n56 s ILE 59 N -1.38 3.65 0.65 -0.61 -4.36 -1.12 -4.59 121.20 113.44 1n56 s ILE 59 Ca 0.00 0.92 -0.18 0.00 -0.26 0.00 0.00 60.65 61.14 1n56 s ILE 59 Cb 0.00 -3.38 -0.02 0.00 1.25 0.00 0.00 42.46 40.32 1n56 s ILE 59 CO 0.00 -0.33 1.21 -2.65 0.24 0.00 0.00 174.94 173.41 1n56 n PRO 60 N -1.49 1.03 0.23 0.37 -0.02 -1.26 -1.55 135.00 132.31 1n56 n PRO 60 Ca 0.10 0.41 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 1n56 n PRO 60 Cb 0.52 -2.44 0.55 0.00 -0.02 0.00 0.00 33.50 32.11 1n56 n PRO 60 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1n56 h ILE 61 N 0.46 0.94 -0.09 4.25 2.04 -1.52 -2.81 117.51 120.79 1n56 h ILE 61 Ca -0.50 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 64.59 1n56 h ILE 61 Cb 1.35 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1n56 h ILE 61 CO 0.52 0.20 0.06 0.58 0.00 0.00 0.00 178.15 179.51 1n56 h VAL 62 N 0.00 1.04 -0.18 1.67 2.07 -1.82 -2.05 116.25 116.97 1n56 h VAL 62 Ca -0.00 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1n56 h VAL 62 Cb 0.42 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1n56 h VAL 62 CO 0.03 0.03 -0.02 -0.33 0.02 0.00 0.00 177.57 177.30 1n56 h GLU 63 N 0.11 0.33 -0.95 1.57 5.08 -1.87 -2.49 114.58 116.37 1n56 h GLU 63 Ca 0.03 -0.12 0.21 0.00 -1.00 0.00 0.00 59.36 58.48 1n56 h GLU 63 Cb 0.00 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.15 1n56 h GLU 63 CO -0.01 0.58 0.61 0.00 -1.00 0.00 0.00 179.01 179.19 1n56 h ALA 64 N 0.75 2.07 0.00 3.43 0.00 -1.44 0.43 119.26 124.50 1n56 h ALA 64 Ca 0.05 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1n56 h ALA 64 Cb 0.44 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1n56 h ALA 64 CO 0.01 -0.39 -0.51 0.87 0.00 0.00 0.00 179.25 179.24 1n56 h LYS 65 N 0.51 0.00 -0.05 0.00 1.57 -0.94 0.74 116.57 118.40 1n56 h LYS 65 Ca 0.51 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 59.11 1n56 h LYS 65 Cb 1.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1n56 h LYS 65 CO -0.24 0.51 -0.75 0.87 -0.57 0.00 0.00 179.45 179.27 1n56 h LYS 66 N 0.00 0.32 0.07 3.15 1.57 0.18 -1.15 116.57 120.71 1n56 h LYS 66 Ca -0.01 -0.28 -0.16 0.00 -1.87 0.00 0.00 60.65 58.34 1n56 h LYS 66 Cb 0.93 0.06 0.02 0.00 0.08 0.00 0.00 32.23 33.32 1n56 h LYS 66 CO 0.07 0.93 -0.66 0.82 -0.57 0.00 0.00 179.45 180.03 1n56 h ILE 67 N 0.22 1.48 -2.40 1.86 2.04 -0.98 -3.40 117.51 116.33 1n56 h ILE 67 Ca -0.03 -2.29 -0.59 0.00 1.00 0.00 0.00 64.86 62.95 1n56 h ILE 67 Cb 1.32 2.91 -0.40 0.00 -0.74 0.00 0.00 36.82 39.91 1n56 h ILE 67 CO 0.12 0.65 -0.87 0.18 0.00 0.00 0.00 178.15 178.24 1n56 n LEU 68 N -4.20 1.05 0.22 1.44 4.77 0.23 -4.96 117.00 115.55 1n56 n LEU 68 Ca -0.12 -4.79 0.16 0.00 -0.03 0.00 0.00 56.01 51.24 1n56 n LEU 68 Cb 0.73 0.12 0.83 0.00 -2.33 0.00 0.00 43.42 42.77 1n56 n LEU 68 CO 0.47 1.92 1.14 -0.65 -1.33 0.00 0.00 177.39 178.94 1n56 h PRO 69 N 4.94 0.00 -0.41 3.23 0.11 -1.40 -2.56 132.00 135.91 1n56 h PRO 69 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1n56 h PRO 69 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1n56 h PRO 69 CO 0.54 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.42 1n56 n ASN 70 N -3.86 3.28 -4.73 -2.05 3.02 -1.26 -4.98 115.26 104.68 1n56 n ASN 70 Ca 0.01 -1.94 -0.30 0.00 -0.03 0.00 0.00 54.58 52.32 1n56 n ASN 70 Cb 0.28 -0.27 0.13 0.00 -0.61 0.00 0.00 39.78 39.31 1n56 n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n56 s ALA 71 N -1.21 1.70 -0.16 5.41 0.00 -0.97 -4.97 121.76 121.57 1n56 s ALA 71 Ca 0.34 0.00 -0.22 0.00 0.00 0.00 0.00 51.96 52.09 1n56 s ALA 71 Cb 0.19 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 1n56 s ALA 71 CO 0.26 -2.22 0.65 0.08 0.00 0.00 0.00 175.76 174.53 1n56 s VAL 72 N -2.93 5.02 -0.24 0.00 1.01 -0.90 -4.96 120.40 117.41 1n56 s VAL 72 Ca 0.63 1.26 -0.06 0.00 0.00 0.00 0.00 61.98 63.81 1n56 s VAL 72 Cb -0.18 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1n56 s VAL 72 CO 0.57 0.15 0.02 -0.31 0.00 0.00 0.00 175.10 175.53 1n56 s TYR 73 N 1.62 3.03 -0.01 5.22 2.02 -1.26 -0.14 117.35 127.84 1n56 s TYR 73 Ca 0.31 -0.62 0.07 0.00 -0.37 0.00 0.00 57.07 56.46 1n56 s TYR 73 Cb -0.16 -2.18 -0.02 0.00 -0.40 0.00 0.00 41.96 39.20 1n56 s TYR 73 CO 0.12 -0.43 -0.23 -0.51 -1.57 0.00 0.00 175.55 172.93 1n56 s LEU 74 N 1.54 2.06 0.25 -1.29 1.43 -0.15 -5.00 118.68 117.52 1n56 s LEU 74 Ca 0.06 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 1n56 s LEU 74 Cb -0.15 -1.18 -0.09 0.00 0.03 0.00 0.00 46.19 44.81 1n56 s LEU 74 CO 0.01 0.27 1.17 -2.16 0.23 0.00 0.00 176.35 175.87 1n56 s PRO 75 N -0.64 4.54 0.26 1.29 0.04 -1.26 -0.17 135.00 139.06 1n56 s PRO 75 Ca 0.09 1.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 1n56 s PRO 75 Cb -0.09 -3.19 -0.11 0.00 0.04 0.00 0.00 34.50 31.14 1n56 s PRO 75 CO -0.00 0.03 1.60 1.41 0.04 0.00 0.00 177.00 180.08 1n56 s MET 76 N -0.99 4.14 -0.64 4.56 1.75 0.32 -4.78 119.30 123.66 1n56 s MET 76 Ca 0.49 2.54 0.06 0.00 -1.25 0.00 0.00 55.69 57.52 1n56 s MET 76 Cb -0.33 -3.05 0.22 0.00 2.84 0.00 0.00 34.83 34.50 1n56 s MET 76 CO 0.41 -0.63 0.63 0.54 -0.65 0.00 0.00 175.02 175.32 1n56 n ARG 77 N 2.65 2.09 -0.15 4.11 1.74 -1.26 -4.96 116.66 120.87 1n56 n ARG 77 Ca 0.10 -4.47 -0.03 0.00 -0.77 0.00 0.00 57.85 52.68 1n56 n ARG 77 Cb 0.37 -2.19 0.03 0.00 -1.02 0.00 0.00 32.46 29.66 1n56 n ARG 77 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1n56 h LYS 78 N 4.66 -0.01 -0.55 5.56 1.63 -1.99 -2.29 116.57 123.57 1n56 h LYS 78 Ca 0.18 0.00 0.11 0.00 -0.85 0.00 0.00 60.65 60.09 1n56 h LYS 78 Cb 0.72 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 32.25 1n56 h LYS 78 CO 0.75 -0.01 -0.06 0.93 -3.45 0.00 0.00 179.45 177.61 1n56 h GLU 79 N -0.01 0.06 0.01 1.90 3.07 -1.98 0.45 114.58 118.07 1n56 h GLU 79 Ca 0.23 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.10 1n56 h GLU 79 Cb 0.37 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1n56 h GLU 79 CO -0.50 0.04 -0.08 0.28 -1.40 0.00 0.00 179.01 177.35 1n56 h VAL 80 N 0.06 0.80 -0.90 3.13 2.07 -1.87 -1.54 116.25 118.01 1n56 h VAL 80 Ca 0.28 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.78 1n56 h VAL 80 Cb 0.43 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1n56 h VAL 80 CO -0.52 0.00 0.51 1.88 0.02 0.00 0.00 177.57 179.47 1n56 h TYR 81 N -0.14 1.21 -0.77 1.57 0.05 -0.69 -2.13 116.97 116.07 1n56 h TYR 81 Ca 0.03 -0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.80 1n56 h TYR 81 Cb 0.17 -0.39 -0.04 0.00 1.01 0.00 0.00 36.73 37.48 1n56 h TYR 81 CO -0.14 0.82 0.51 0.37 -1.05 0.00 0.00 178.16 178.67 1n56 h GLN 82 N 1.25 1.01 -0.33 4.88 5.75 0.36 -0.16 115.11 127.87 1n56 h GLN 82 Ca 0.32 -0.06 -0.16 0.00 -0.15 0.00 0.00 58.65 58.60 1n56 h GLN 82 Cb -0.01 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.31 1n56 h GLN 82 CO -0.06 0.67 -0.44 1.96 -2.65 0.00 0.00 178.83 178.32 1n56 h GLN 83 N 1.04 0.84 -0.34 1.69 4.20 -0.88 -0.91 115.11 120.75 1n56 h GLN 83 Ca 0.28 -0.47 -0.06 0.00 0.06 0.00 0.00 58.65 58.47 1n56 h GLN 83 Cb -0.11 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1n56 h GLN 83 CO -0.06 1.10 -0.04 0.28 -0.67 0.00 0.00 178.83 179.44 1n56 h VAL 84 N 0.68 1.21 -0.31 -0.54 2.07 -1.11 -2.48 116.25 115.78 1n56 h VAL 84 Ca 0.04 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 1n56 h VAL 84 Cb 1.02 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1n56 h VAL 84 CO 0.10 0.30 -0.06 -1.28 0.02 0.00 0.00 177.57 176.65 1n56 h SER 85 N 0.51 0.58 -0.96 0.57 0.87 -0.70 -2.30 113.55 112.11 1n56 h SER 85 Ca 0.10 -0.35 0.01 0.00 -1.23 0.00 0.00 61.79 60.32 1n56 h SER 85 Cb 0.39 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 1n56 h SER 85 CO 0.02 0.80 0.62 0.28 -0.53 0.00 0.00 176.83 178.02 1n56 h SER 86 N 0.35 1.12 -0.65 6.23 0.02 -0.91 0.32 113.55 120.03 1n56 h SER 86 Ca 0.08 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 1n56 h SER 86 Cb 0.53 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1n56 h SER 86 CO 0.03 0.83 0.15 0.03 -1.14 0.00 0.00 176.83 176.73 1n56 h ARG 87 N 1.31 1.04 -0.42 3.45 3.08 -1.31 -1.39 114.38 120.15 1n56 h ARG 87 Ca 0.35 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 1n56 h ARG 87 Cb -0.13 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 1n56 h ARG 87 CO -0.07 0.94 -0.15 0.82 -1.07 0.00 0.00 179.97 180.43 1n56 h ILE 88 N 0.97 1.26 -0.56 2.04 2.04 -0.78 -2.55 117.51 119.93 1n56 h ILE 88 Ca 0.20 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.84 1n56 h ILE 88 Cb 0.37 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1n56 h ILE 88 CO 0.00 0.42 0.37 0.24 0.00 0.00 0.00 178.15 179.18 1n56 h MET 89 N 0.69 0.73 -0.10 2.37 2.86 -0.48 -1.65 114.93 119.36 1n56 h MET 89 Ca 0.11 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1n56 h MET 89 Cb 0.64 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1n56 h MET 89 CO 0.05 0.48 0.08 -0.91 1.06 0.00 0.00 176.91 177.66 1n56 h ASN 90 N 0.75 0.00 0.62 1.22 2.35 -0.87 0.25 115.58 119.90 1n56 h ASN 90 Ca 0.21 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.85 1n56 h ASN 90 Cb -0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1n56 h ASN 90 CO -0.05 0.00 -0.50 -0.07 -1.65 0.00 0.00 177.43 175.16 1n56 h LEU 91 N 0.00 0.00 -0.53 1.61 3.38 -0.96 -3.08 115.31 115.73 1n56 h LEU 91 Ca 0.05 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1n56 h LEU 91 Cb 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1n56 h LEU 91 CO -0.00 0.50 -0.73 -0.07 0.09 0.00 0.00 178.44 178.23 1n56 h LEU 92 N 0.00 0.01 -2.03 1.67 3.38 -0.19 -3.06 115.31 115.09 1n56 h LEU 92 Ca -0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1n56 h LEU 92 Cb 0.95 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1n56 h LEU 92 CO 0.07 0.74 -0.09 0.03 0.09 0.00 0.00 178.44 179.28 1n56 h ARG 93 N 0.01 0.00 0.00 1.13 3.08 -1.34 -1.16 114.38 116.10 1n56 h ARG 93 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1n56 h ARG 93 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1n56 h ARG 93 CO 0.10 0.09 0.00 0.39 -1.07 0.00 0.00 179.97 179.48 1n56 n GLU 94 N -3.66 0.22 0.00 0.04 -0.58 -1.16 -2.01 120.64 113.50 1n56 n GLU 94 Ca -0.02 0.12 0.01 0.00 -0.42 0.00 0.00 57.16 56.86 1n56 n GLU 94 Cb 0.21 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.56 1n56 n GLU 94 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1n56 n TYR 95 N -1.19 0.00 -3.43 -0.32 4.01 -0.44 -5.04 117.16 110.74 1n56 n TYR 95 Ca 0.06 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.83 1n56 n TYR 95 Cb 0.07 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.05 1n56 n TYR 95 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1n56 s SER 96 N -1.22 -0.04 0.30 7.72 0.15 -0.85 -4.95 113.70 114.81 1n56 s SER 96 Ca 0.01 0.06 0.05 0.00 0.70 0.00 0.00 55.95 56.78 1n56 s SER 96 Cb 0.02 1.03 0.46 0.00 -1.71 0.00 0.00 66.02 65.83 1n56 s SER 96 CO 0.11 -0.01 1.72 -0.33 1.20 0.00 0.00 173.24 175.93 1n56 h GLU 97 N 5.98 0.31 -5.95 5.44 3.07 -1.90 -3.36 114.58 118.16 1n56 h GLU 97 Ca -0.20 -0.13 -0.61 0.00 -0.50 0.00 0.00 59.36 57.92 1n56 h GLU 97 Cb 1.14 -0.01 -0.11 0.00 -0.84 0.00 0.00 28.75 28.93 1n56 h GLU 97 CO 0.16 0.62 1.33 0.15 -1.40 0.00 0.00 179.01 179.87 1n56 s LYS 98 N -4.28 3.54 -0.02 2.33 1.02 -1.26 -4.94 119.74 116.12 1n56 s LYS 98 Ca -0.05 -1.12 0.02 0.00 0.02 0.00 0.00 55.97 54.83 1n56 s LYS 98 Cb 0.14 -5.14 0.01 0.00 -0.52 0.00 0.00 37.83 32.31 1n56 s LYS 98 CO 0.77 -2.13 -0.06 -1.50 -0.92 0.00 0.00 175.35 171.51 1n56 s ILE 99 N 4.68 0.58 -0.26 2.17 2.07 -1.26 -1.30 121.20 127.88 1n56 s ILE 99 Ca 0.42 -0.25 0.01 0.00 -1.41 0.00 0.00 60.65 59.43 1n56 s ILE 99 Cb -0.02 -0.53 0.05 0.00 0.13 0.00 0.00 42.46 42.09 1n56 s ILE 99 CO -0.07 0.19 -0.09 -0.70 -1.91 0.00 0.00 174.94 172.37 1n56 s GLU 100 N 0.25 2.40 -0.55 3.50 2.12 0.71 -4.30 118.70 122.84 1n56 s GLU 100 Ca -0.03 -1.26 -0.24 0.00 0.36 0.00 0.00 54.97 53.80 1n56 s GLU 100 Cb -0.08 -2.94 0.04 0.00 0.26 0.00 0.00 34.13 31.41 1n56 s GLU 100 CO 0.00 -0.54 0.93 0.42 -0.54 0.00 0.00 175.26 175.53 1n56 s ILE 101 N 1.17 4.40 0.10 -3.70 1.01 -1.26 -0.57 121.20 122.35 1n56 s ILE 101 Ca -0.06 0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.86 1n56 s ILE 101 Cb -0.19 -4.53 -0.25 0.00 0.01 0.00 0.00 42.46 37.50 1n56 s ILE 101 CO -0.05 -1.10 1.21 0.00 0.00 0.00 0.00 174.94 175.01 1n56 h ALA 102 N 9.30 0.22 -2.28 9.38 0.00 -1.33 -3.43 119.26 131.12 1n56 h ALA 102 Ca -0.26 -0.89 0.03 0.00 0.00 0.00 0.00 54.91 53.79 1n56 h ALA 102 Cb 1.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1n56 h ALA 102 CO 1.08 1.09 0.20 -1.13 0.00 0.00 0.00 179.25 180.49 1n56 n SER 103 N -3.46 -0.97 0.05 0.00 3.41 -1.15 -4.95 113.62 106.55 1n56 n SER 103 Ca -0.05 -1.61 0.04 0.00 -0.26 0.00 0.00 58.87 56.99 1n56 n SER 103 Cb 0.98 1.61 0.19 0.00 -0.26 0.00 0.00 64.21 66.73 1n56 n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n56 n ILE 104 N -0.29 1.62 -2.02 -1.33 3.06 -1.26 -2.67 119.36 116.46 1n56 n ILE 104 Ca -0.03 0.58 0.00 0.00 -2.50 0.00 0.00 62.75 60.80 1n56 n ILE 104 Cb 0.28 -1.58 0.00 0.00 0.54 0.00 0.00 39.64 38.88 1n56 n ILE 104 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 1n56 n ASP 105 N -1.73 0.03 -3.91 9.51 5.75 -1.26 -4.78 116.55 120.15 1n56 n ASP 105 Ca -0.00 -1.81 -0.14 0.00 -0.01 0.00 0.00 54.79 52.82 1n56 n ASP 105 Cb 0.03 -0.16 -0.14 0.00 -1.03 0.00 0.00 41.12 39.82 1n56 n ASP 105 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1n56 s GLU 106 N 0.00 0.24 -0.14 0.11 2.02 -1.09 -1.76 118.70 118.08 1n56 s GLU 106 Ca 0.02 -0.09 -0.18 0.00 0.02 0.00 0.00 54.97 54.73 1n56 s GLU 106 Cb 0.02 -0.24 0.05 0.00 0.10 0.00 0.00 34.13 34.05 1n56 s GLU 106 CO -0.01 0.05 0.48 0.00 0.02 0.00 0.00 175.26 175.80 1n56 s ALA 107 N -0.00 -1.20 -0.09 5.21 0.00 -0.70 -0.78 121.76 124.20 1n56 s ALA 107 Ca 0.00 1.18 -0.00 0.00 0.00 0.00 0.00 51.96 53.14 1n56 s ALA 107 Cb -0.02 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 1n56 s ALA 107 CO -0.00 -0.25 -0.06 0.71 0.00 0.00 0.00 175.76 176.16 1n56 s TYR 108 N -0.20 2.97 -0.11 0.00 2.02 0.26 -0.39 117.35 121.90 1n56 s TYR 108 Ca -0.04 -0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.64 1n56 s TYR 108 Cb -0.03 -1.77 0.01 0.00 -0.40 0.00 0.00 41.96 39.76 1n56 s TYR 108 CO 0.02 0.25 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.55 1n56 s LEU 109 N -0.54 1.95 -0.56 -1.29 1.02 0.15 -0.21 118.68 119.20 1n56 s LEU 109 Ca 0.08 -0.51 -0.23 0.00 0.02 0.00 0.00 54.13 53.50 1n56 s LEU 109 Cb -0.12 -1.27 0.05 0.00 0.02 0.00 0.00 46.19 44.87 1n56 s LEU 109 CO 0.02 0.08 0.88 -0.62 0.02 0.00 0.00 176.35 176.73 1n56 s ASP 110 N 0.69 6.29 -0.36 2.29 -1.08 -0.42 -0.94 116.67 123.14 1n56 s ASP 110 Ca -0.12 -0.58 0.07 0.00 -0.52 0.00 0.00 52.55 51.40 1n56 s ASP 110 Cb -0.16 -2.40 0.61 0.00 -1.46 0.00 0.00 42.92 39.51 1n56 s ASP 110 CO 0.02 -1.19 1.70 2.30 0.52 0.00 0.00 175.17 178.53 1n56 n ILE 111 N 6.02 2.87 -0.17 4.11 -5.35 -0.85 -4.64 119.36 121.34 1n56 n ILE 111 Ca -0.01 -2.19 0.07 0.00 -0.27 0.00 0.00 62.75 60.35 1n56 n ILE 111 Cb 0.47 -0.38 0.37 0.00 -1.74 0.00 0.00 39.64 38.35 1n56 n ILE 111 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1n56 h SER 112 N 1.30 0.63 -0.97 7.28 0.02 -1.87 -1.75 113.55 118.20 1n56 h SER 112 Ca 0.39 0.01 -0.48 0.00 -0.84 0.00 0.00 61.79 60.86 1n56 h SER 112 Cb 2.25 -0.13 -0.29 0.00 0.14 0.00 0.00 62.40 64.38 1n56 h SER 112 CO 0.73 0.40 0.61 0.47 -1.14 0.00 0.00 176.83 177.90 1n56 n ASP 113 N -4.48 3.88 0.00 3.07 8.00 -1.26 -4.27 116.55 121.49 1n56 n ASP 113 Ca 0.11 -3.56 0.00 0.00 0.71 0.00 0.00 54.79 52.04 1n56 n ASP 113 Cb 0.25 -0.83 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 1n56 n ASP 113 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1n56 n LYS 114 N -1.02 2.43 -4.21 -1.24 4.76 -0.67 -5.09 118.16 113.12 1n56 n LYS 114 Ca 0.58 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.89 1n56 n LYS 114 Cb 1.64 -0.81 -0.10 0.00 -1.84 0.00 0.00 35.03 33.92 1n56 n LYS 114 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1n56 s VAL 115 N -1.53 0.40 -0.56 -0.18 -7.23 -1.12 -5.05 120.40 105.13 1n56 s VAL 115 Ca 0.00 -1.95 0.05 0.00 -1.81 0.00 0.00 61.98 58.27 1n56 s VAL 115 Cb 0.00 -2.15 0.03 0.00 0.56 0.00 0.00 36.38 34.82 1n56 s VAL 115 CO 0.00 -0.41 0.59 0.54 -0.31 0.00 0.00 175.10 175.51 1n56 n ARG 116 N -0.20 0.52 -3.77 4.82 1.74 -1.26 -4.79 116.66 113.72 1n56 n ARG 116 Ca -0.05 -0.68 -0.06 0.00 -0.77 0.00 0.00 57.85 56.29 1n56 n ARG 116 Cb 0.64 -1.04 -0.02 0.00 -1.02 0.00 0.00 32.46 31.02 1n56 n ARG 116 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1n56 s ASP 117 N -0.55 -0.25 0.00 0.55 1.47 -1.26 -5.03 116.67 111.60 1n56 s ASP 117 Ca 0.05 -0.45 0.11 0.00 1.18 0.00 0.00 52.55 53.44 1n56 s ASP 117 Cb 0.04 0.60 0.51 0.00 -0.34 0.00 0.00 42.92 43.73 1n56 s ASP 117 CO 0.08 -1.09 1.34 -1.22 0.68 0.00 0.00 175.17 174.95 1n56 n TYR 118 N -0.45 0.00 0.05 2.11 4.01 -1.26 -2.22 117.16 119.39 1n56 n TYR 118 Ca -0.06 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.48 1n56 n TYR 118 Cb 0.60 -0.44 -0.15 0.00 -0.31 0.00 0.00 39.34 39.05 1n56 n TYR 118 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1n56 h ARG 119 N 0.00 0.29 -0.31 -0.72 2.43 -1.99 -2.55 114.38 111.54 1n56 h ARG 119 Ca 0.00 -0.50 -0.11 0.00 -0.81 0.00 0.00 59.98 58.56 1n56 h ARG 119 Cb 0.17 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1n56 h ARG 119 CO 0.00 1.24 -0.27 0.93 -1.51 0.00 0.00 179.97 180.36 1n56 h GLU 120 N -0.39 0.63 0.35 0.20 5.08 -1.90 -2.52 114.58 116.04 1n56 h GLU 120 Ca -0.14 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 1n56 h GLU 120 Cb 1.63 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.86 1n56 h GLU 120 CO 0.15 0.84 -0.17 0.00 -1.00 0.00 0.00 179.01 178.82 1n56 h ALA 121 N 1.16 -0.48 -0.94 3.43 0.00 -1.52 -0.05 119.26 120.85 1n56 h ALA 121 Ca 0.07 -0.10 0.20 0.00 0.00 0.00 0.00 54.91 55.08 1n56 h ALA 121 Cb 0.75 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.62 1n56 h ALA 121 CO 0.06 -0.77 0.52 -0.92 0.00 0.00 0.00 179.25 178.14 1n56 h TYR 122 N -0.48 0.89 -0.16 0.00 3.20 -1.27 0.47 116.97 119.62 1n56 h TYR 122 Ca -0.05 0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.68 1n56 h TYR 122 Cb 0.37 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 1n56 h TYR 122 CO -0.06 0.12 -0.63 -0.91 -1.64 0.00 0.00 178.16 175.04 1n56 h ASN 123 N 0.61 0.65 0.52 -2.11 2.35 -1.05 -1.96 115.58 114.59 1n56 h ASN 123 Ca 0.56 -0.38 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 1n56 h ASN 123 Cb 0.95 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 1n56 h ASN 123 CO -0.43 1.12 -0.24 0.25 -1.65 0.00 0.00 177.43 176.48 1n56 h LEU 124 N 0.42 0.00 -0.33 1.61 5.85 0.11 -0.41 115.31 122.56 1n56 h LEU 124 Ca -0.01 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 1n56 h LEU 124 Cb 1.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1n56 h LEU 124 CO 0.12 0.24 -0.21 1.23 -0.34 0.00 0.00 178.44 179.48 1n56 h GLY 125 N 1.28 0.78 0.94 3.75 0.00 0.33 -2.32 103.07 107.82 1n56 h GLY 125 Ca -0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 1n56 h GLY 125 CO 0.03 0.66 0.15 1.41 0.00 0.00 0.00 176.54 178.79 1n56 h LEU 126 N 0.48 0.53 -0.45 3.11 3.38 -0.56 -1.38 115.31 120.42 1n56 h LEU 126 Ca 0.07 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 57.95 1n56 h LEU 126 Cb 0.76 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 1n56 h LEU 126 CO 0.06 0.56 0.01 -0.33 0.09 0.00 0.00 178.44 178.83 1n56 h GLU 127 N 0.47 0.12 -0.48 1.13 5.08 -1.04 -0.74 114.58 119.12 1n56 h GLU 127 Ca 0.13 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1n56 h GLU 127 Cb 0.20 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1n56 h GLU 127 CO -0.01 0.08 0.30 0.82 -1.00 0.00 0.00 179.01 179.20 1n56 h ILE 128 N 0.12 1.15 -0.84 3.13 2.04 -1.06 0.11 117.51 122.16 1n56 h ILE 128 Ca 0.23 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1n56 h ILE 128 Cb 0.33 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1n56 h ILE 128 CO -0.37 0.15 0.44 0.11 0.00 0.00 0.00 178.15 178.48 1n56 h LYS 129 N 0.65 1.18 -0.16 2.37 1.57 -0.69 -2.17 116.57 119.31 1n56 h LYS 129 Ca 0.17 -0.15 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 1n56 h LYS 129 Cb -0.02 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 1n56 h LYS 129 CO -0.03 0.88 -0.59 -0.91 -0.57 0.00 0.00 179.45 178.22 1n56 h ASN 130 N 1.17 0.59 0.01 0.86 2.35 -0.78 -1.97 115.58 117.81 1n56 h ASN 130 Ca 0.29 -0.33 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1n56 h ASN 130 Cb 0.05 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1n56 h ASN 130 CO -0.04 1.04 -0.00 0.50 -1.65 0.00 0.00 177.43 177.28 1n56 h LYS 131 N 0.39 -0.01 -0.23 0.81 1.63 -0.48 0.15 116.57 118.83 1n56 h LYS 131 Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1n56 h LYS 131 Cb 1.14 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 1n56 h LYS 131 CO 0.11 0.09 0.05 0.82 -3.45 0.00 0.00 179.45 177.07 1n56 h ILE 132 N -0.11 1.21 -0.39 2.00 2.04 -1.43 0.39 117.51 121.22 1n56 h ILE 132 Ca -0.00 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1n56 h ILE 132 Cb 0.11 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1n56 h ILE 132 CO 0.00 0.22 0.21 0.25 0.00 0.00 0.00 178.15 178.83 1n56 h LEU 133 N 0.19 0.46 0.52 1.44 5.85 -1.34 0.41 115.31 122.85 1n56 h LEU 133 Ca 0.07 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1n56 h LEU 133 Cb 0.29 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.21 1n56 h LEU 133 CO 0.00 0.38 -0.25 -0.08 -0.34 0.00 0.00 178.44 178.15 1n56 h GLU 134 N 0.53 -0.67 -0.40 1.25 4.81 -0.39 0.12 114.58 119.83 1n56 h GLU 134 Ca 0.14 0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.26 1n56 h GLU 134 Cb 0.02 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1n56 h GLU 134 CO -0.02 -0.45 -0.35 0.87 -0.73 0.00 0.00 179.01 178.33 1n56 h LYS 135 N -1.14 0.93 -0.00 1.92 1.79 -0.11 -3.37 116.57 116.58 1n56 h LYS 135 Ca -0.07 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 57.93 1n56 h LYS 135 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1n56 h LYS 135 CO 0.12 1.12 -0.00 0.39 -1.08 0.00 0.00 179.45 179.99 1n56 n GLU 136 N -4.07 1.66 -3.72 3.15 -0.58 0.14 -5.02 120.64 112.20 1n56 n GLU 136 Ca -0.02 -0.35 -0.26 0.00 -0.42 0.00 0.00 57.16 56.12 1n56 n GLU 136 Cb 0.52 -0.84 0.06 0.00 -0.57 0.00 0.00 31.44 30.61 1n56 n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1n56 n LYS 137 N -0.32 -6.76 -5.17 3.49 4.76 0.41 -4.95 118.16 109.62 1n56 n LYS 137 Ca 0.00 0.73 -0.31 0.00 -2.87 0.00 0.00 58.31 55.86 1n56 n LYS 137 Cb 0.01 -5.69 -0.17 0.00 -1.84 0.00 0.00 35.03 27.34 1n56 n LYS 137 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1n56 s ILE 138 N -3.34 1.95 0.02 -0.18 -1.09 -1.24 -4.91 121.20 112.42 1n56 s ILE 138 Ca 0.54 -0.98 -0.12 0.00 -2.23 0.00 0.00 60.65 57.86 1n56 s ILE 138 Cb -0.25 -1.68 -0.06 0.00 -1.58 0.00 0.00 42.46 38.89 1n56 s ILE 138 CO 0.77 0.54 0.39 0.42 -1.23 0.00 0.00 174.94 175.83 1n56 s THR 139 N 0.17 5.09 0.12 2.92 -4.23 -1.26 -3.32 115.64 115.13 1n56 s THR 139 Ca -0.13 0.65 0.01 0.00 -1.18 0.00 0.00 61.69 61.04 1n56 s THR 139 Cb -0.16 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1n56 s THR 139 CO 0.06 0.47 -0.01 0.68 -0.54 0.00 0.00 174.62 175.29 1n56 s VAL 140 N -1.20 0.46 -0.15 2.29 -7.23 -1.26 -2.34 120.40 110.97 1n56 s VAL 140 Ca 0.27 -1.92 -0.02 0.00 -1.81 0.00 0.00 61.98 58.49 1n56 s VAL 140 Cb -0.15 -1.88 -0.02 0.00 0.56 0.00 0.00 36.38 34.89 1n56 s VAL 140 CO 0.14 -0.67 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.29 1n56 s THR 141 N -3.79 3.47 -0.12 5.32 2.01 -0.46 -3.93 115.64 118.14 1n56 s THR 141 Ca 0.18 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.62 1n56 s THR 141 Cb 0.07 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 1n56 s THR 141 CO -0.01 0.50 0.07 -0.69 -0.69 0.00 0.00 174.62 173.79 1n56 s VAL 142 N 0.47 4.86 -0.06 3.82 1.01 -0.61 -2.19 120.40 127.70 1n56 s VAL 142 Ca -0.06 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1n56 s VAL 142 Cb -0.15 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1n56 s VAL 142 CO 0.04 0.58 -0.16 -0.83 0.00 0.00 0.00 175.10 174.72 1n56 s GLY 143 N -0.63 0.92 -0.04 4.51 0.00 -0.27 -1.63 107.32 110.18 1n56 s GLY 143 Ca 0.11 -0.61 0.03 0.00 0.00 0.00 0.00 44.72 44.25 1n56 s GLY 143 CO 0.02 -0.15 -0.11 -0.42 0.00 0.00 0.00 173.10 172.44 1n56 s ILE 144 N 0.35 1.00 0.00 0.90 1.01 -0.02 -0.00 121.20 124.43 1n56 s ILE 144 Ca -0.11 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1n56 s ILE 144 Cb -0.14 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.44 1n56 s ILE 144 CO 0.04 0.31 0.00 -0.24 0.00 0.00 0.00 174.94 175.04 1n56 n SER 145 N 3.35 0.00 0.02 3.58 2.88 -0.62 -0.54 113.62 122.28 1n56 n SER 145 Ca -0.19 -0.38 0.12 0.00 -1.33 0.00 0.00 58.87 57.09 1n56 n SER 145 Cb 0.53 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.27 1n56 n SER 145 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1n56 n LYS 146 N 0.00 0.08 -3.99 -1.46 2.85 -1.26 0.06 118.16 114.45 1n56 n LYS 146 Ca 0.00 0.03 -0.10 0.00 -1.05 0.00 0.00 58.31 57.18 1n56 n LYS 146 Cb 0.00 -1.55 -0.04 0.00 -0.65 0.00 0.00 35.03 32.79 1n56 n LYS 146 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1n56 s ASN 147 N -3.35 0.18 0.17 -5.58 2.20 -1.26 -4.52 114.94 102.77 1n56 s ASN 147 Ca 0.10 -1.09 -0.14 0.00 -0.94 0.00 0.00 52.86 50.79 1n56 s ASN 147 Cb 0.17 0.66 0.05 0.00 -2.00 0.00 0.00 41.25 40.12 1n56 s ASN 147 CO 0.68 -1.28 1.80 0.11 -2.94 0.00 0.00 177.10 175.48 1n56 h LYS 148 N 2.16 0.69 -0.42 3.55 1.57 -1.93 -1.66 116.57 120.53 1n56 h LYS 148 Ca -0.27 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1n56 h LYS 148 Cb 1.25 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1n56 h LYS 148 CO 0.36 0.49 0.22 0.28 -0.57 0.00 0.00 179.45 180.24 1n56 h VAL 149 N 0.68 1.16 0.00 0.50 2.07 -1.97 -1.30 116.25 117.39 1n56 h VAL 149 Ca 0.18 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1n56 h VAL 149 Cb -0.02 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1n56 h VAL 149 CO -0.04 0.17 -0.24 -0.26 0.02 0.00 0.00 177.57 177.22 1n56 h PHE 150 N 0.54 0.00 -0.44 1.57 0.04 -1.97 -1.45 116.94 115.23 1n56 h PHE 150 Ca 0.15 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.80 1n56 h PHE 150 Cb 0.07 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1n56 h PHE 150 CO -0.02 0.24 -0.18 0.00 -0.60 0.00 0.00 178.31 177.74 1n56 h ALA 151 N 1.76 0.61 -0.41 2.45 0.00 -1.03 -0.23 119.26 122.42 1n56 h ALA 151 Ca -0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1n56 h ALA 151 Cb 1.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1n56 h ALA 151 CO 0.03 0.57 0.08 -0.22 0.00 0.00 0.00 179.25 179.71 1n56 h LYS 152 N 0.73 0.66 -0.54 0.00 3.64 -0.96 -2.44 116.57 117.66 1n56 h LYS 152 Ca 0.10 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1n56 h LYS 152 Cb 0.75 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1n56 h LYS 152 CO 0.06 0.70 0.19 0.82 -2.27 0.00 0.00 179.45 178.95 1n56 h ILE 153 N 0.52 1.20 -0.55 2.00 2.04 -1.11 -0.43 117.51 121.18 1n56 h ILE 153 Ca 0.13 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.37 1n56 h ILE 153 Cb 0.35 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1n56 h ILE 153 CO 0.01 0.25 0.30 0.00 0.00 0.00 0.00 178.15 178.71 1n56 h ALA 154 N 1.45 0.71 -0.40 1.87 0.00 -0.69 -1.60 119.26 120.59 1n56 h ALA 154 Ca 0.18 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1n56 h ALA 154 Cb 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1n56 h ALA 154 CO -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 179.25 179.24 1n56 h ALA 155 N 1.28 0.53 -0.79 0.00 0.00 -0.90 -2.14 119.26 117.24 1n56 h ALA 155 Ca 0.23 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1n56 h ALA 155 Cb 0.11 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1n56 h ALA 155 CO -0.14 0.28 0.51 -0.44 0.00 0.00 0.00 179.25 179.46 1n56 h ASP 156 N 0.52 0.64 0.31 0.00 3.32 -0.50 -0.66 116.42 120.04 1n56 h ASP 156 Ca 0.12 0.02 -0.22 0.00 0.02 0.00 0.00 57.03 56.96 1n56 h ASP 156 Cb 0.42 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1n56 h ASP 156 CO 0.01 0.38 -0.91 0.24 -1.72 0.00 0.00 179.24 177.24 1n56 h MET 157 N 0.71 0.43 0.00 3.56 2.86 -0.98 -3.33 114.93 118.17 1n56 h MET 157 Ca 0.36 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1n56 h MET 157 Cb 0.46 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1n56 h MET 157 CO -0.14 1.10 -0.73 0.00 1.06 0.00 0.00 176.91 178.21 1n56 h ALA 158 N 0.75 0.62 -3.04 6.32 0.00 -0.84 -3.48 119.26 119.59 1n56 h ALA 158 Ca -0.07 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.28 1n56 h ALA 158 Cb 1.54 0.00 0.15 0.00 0.00 0.00 0.00 17.79 19.48 1n56 h ALA 158 CO 0.16 0.00 0.51 -1.59 0.00 0.00 0.00 179.25 178.33 1n56 s LYS 159 N -3.30 2.66 0.52 0.00 -2.85 -0.31 -3.79 119.74 112.67 1n56 s LYS 159 Ca 0.02 2.03 0.04 0.00 -1.00 0.00 0.00 55.97 57.06 1n56 s LYS 159 Cb 0.09 -1.88 0.03 0.00 -2.06 0.00 0.00 37.83 34.02 1n56 s LYS 159 CO 0.75 -1.51 0.72 -1.25 0.10 0.00 0.00 175.35 174.17 1n56 s PRO 160 N -3.35 2.57 -1.46 1.78 0.04 -1.26 -4.92 135.00 128.41 1n56 s PRO 160 Ca 0.81 -0.99 -0.17 0.00 0.04 0.00 0.00 61.00 60.70 1n56 s PRO 160 Cb -0.36 -2.57 0.16 0.00 0.04 0.00 0.00 34.50 31.76 1n56 s PRO 160 CO 0.39 -0.62 0.54 -1.71 0.04 0.00 0.00 177.00 175.63 1n56 n ASN 161 N -2.21 -2.36 -2.07 6.66 2.85 -1.26 -4.91 115.26 111.96 1n56 n ASN 161 Ca 0.09 -0.79 -0.01 0.00 -0.11 0.00 0.00 54.58 53.76 1n56 n ASN 161 Cb 0.60 -2.01 -0.00 0.00 1.24 0.00 0.00 39.78 39.60 1n56 n ASN 161 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1n56 n GLY 162 N -1.07 3.68 3.64 8.20 0.00 -1.25 -4.94 105.19 113.46 1n56 n GLY 162 Ca 0.07 -2.20 -0.05 0.00 0.00 0.00 0.00 46.02 43.85 1n56 n GLY 162 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1n56 s ILE 163 N -0.61 0.00 -0.05 -0.61 2.07 -1.25 -1.58 121.20 119.17 1n56 s ILE 163 Ca 0.00 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.15 1n56 s ILE 163 Cb -0.00 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.61 1n56 s ILE 163 CO 0.00 0.00 0.22 -0.75 -1.91 0.00 0.00 174.94 172.50 1n56 s LYS 164 N 1.34 0.41 -0.01 3.50 2.20 -0.64 -4.97 119.74 121.57 1n56 s LYS 164 Ca -0.08 0.01 0.03 0.00 -0.36 0.00 0.00 55.97 55.57 1n56 s LYS 164 Cb -0.04 0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.43 1n56 s LYS 164 CO -0.16 -0.08 -0.08 0.08 -0.36 0.00 0.00 175.35 174.75 1n56 s VAL 165 N -0.59 3.59 -0.48 4.02 1.01 -1.26 -0.84 120.40 125.84 1n56 s VAL 165 Ca -0.07 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1n56 s VAL 165 Cb -0.04 -2.54 0.13 0.00 0.00 0.00 0.00 36.38 33.93 1n56 s VAL 165 CO 0.01 0.43 0.25 -0.63 0.00 0.00 0.00 175.10 175.17 1n56 s ILE 166 N -0.95 2.04 1.21 2.22 1.01 0.30 -4.95 121.20 122.09 1n56 s ILE 166 Ca 0.16 -2.97 -0.16 0.00 0.00 0.00 0.00 60.65 57.69 1n56 s ILE 166 Cb -0.11 -2.42 0.30 0.00 0.01 0.00 0.00 42.46 40.23 1n56 s ILE 166 CO 0.06 -0.84 1.02 1.51 0.00 0.00 0.00 174.94 176.69 1n56 s ASP 167 N 0.01 0.64 0.37 3.58 1.47 -1.26 -4.41 116.67 117.07 1n56 s ASP 167 Ca 0.17 1.21 0.05 0.00 1.18 0.00 0.00 52.55 55.16 1n56 s ASP 167 Cb -0.25 -1.85 0.74 0.00 -0.34 0.00 0.00 42.92 41.22 1n56 s ASP 167 CO 0.00 -4.36 2.00 0.44 0.68 0.00 0.00 175.17 173.93 1n56 h ASP 168 N -2.74 0.63 -0.59 2.11 3.32 -2.00 -2.02 116.42 115.14 1n56 h ASP 168 Ca -0.56 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.40 1n56 h ASP 168 Cb 1.34 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 1n56 h ASP 168 CO 0.46 0.44 0.05 -0.08 -1.72 0.00 0.00 179.24 178.39 1n56 h GLU 169 N 0.74 1.00 0.00 3.56 4.81 -2.01 -2.65 114.58 120.03 1n56 h GLU 169 Ca 0.24 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 1n56 h GLU 169 Cb 0.06 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1n56 h GLU 169 CO -0.06 0.96 -0.47 1.49 -0.73 0.00 0.00 179.01 180.20 1n56 h GLU 170 N 0.89 0.00 0.13 1.92 4.81 -1.78 -2.27 114.58 118.28 1n56 h GLU 170 Ca 0.17 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1n56 h GLU 170 Cb 0.48 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1n56 h GLU 170 CO 0.02 0.47 -0.08 0.28 -0.73 0.00 0.00 179.01 178.97 1n56 h VAL 171 N 0.00 0.84 -0.66 0.32 2.07 -1.04 0.32 116.25 118.11 1n56 h VAL 171 Ca -0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1n56 h VAL 171 Cb 0.85 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1n56 h VAL 171 CO 0.06 0.00 0.44 0.11 0.02 0.00 0.00 177.57 178.20 1n56 h LYS 172 N -0.20 0.87 0.23 1.57 1.57 -1.38 0.10 116.57 119.33 1n56 h LYS 172 Ca -0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1n56 h LYS 172 Cb 0.16 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1n56 h LYS 172 CO 0.02 0.58 -0.11 -0.09 -0.57 0.00 0.00 179.45 179.28 1n56 h ARG 173 N 0.90 -0.29 -0.49 3.15 2.43 -0.70 -2.85 114.38 116.52 1n56 h ARG 173 Ca 0.24 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1n56 h ARG 173 Cb -0.10 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1n56 h ARG 173 CO -0.05 -0.18 0.19 -0.07 -1.51 0.00 0.00 179.97 178.34 1n56 h LEU 174 N -0.32 0.65 -2.06 3.80 3.38 0.31 -0.35 115.31 120.72 1n56 h LEU 174 Ca -0.03 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1n56 h LEU 174 Cb 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1n56 h LEU 174 CO 0.05 0.59 0.35 0.40 0.09 0.00 0.00 178.44 179.92 1n56 h ILE 175 N 0.70 0.20 0.00 1.22 2.04 -0.76 0.31 117.51 121.23 1n56 h ILE 175 Ca 0.17 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.76 1n56 h ILE 175 Cb 0.16 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1n56 h ILE 175 CO -0.01 0.00 -1.95 0.54 0.00 0.00 0.00 178.15 176.72 1n56 n ARG 176 N -3.33 0.39 -0.08 2.37 1.74 -0.79 -0.57 116.66 116.39 1n56 n ARG 176 Ca 0.02 0.13 -0.16 0.00 -0.77 0.00 0.00 57.85 57.07 1n56 n ARG 176 Cb 0.45 -1.23 -0.13 0.00 -1.02 0.00 0.00 32.46 30.54 1n56 n ARG 176 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1n56 h GLU 177 N -0.31 0.00 -6.15 5.56 5.08 -0.80 -3.44 114.58 114.51 1n56 h GLU 177 Ca -0.40 -0.01 -0.72 0.00 -1.00 0.00 0.00 59.36 57.23 1n56 h GLU 177 Cb 1.48 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.79 1n56 h GLU 177 CO -0.16 1.00 0.24 -0.11 -1.00 0.00 0.00 179.01 178.98 1n56 n LEU 178 N -4.57 0.85 -4.66 1.33 7.94 0.07 -4.85 117.00 113.12 1n56 n LEU 178 Ca -0.15 1.14 -0.42 0.00 -1.11 0.00 0.00 56.01 55.47 1n56 n LEU 178 Cb 0.53 -1.07 -0.03 0.00 0.53 0.00 0.00 43.42 43.38 1n56 n LEU 178 CO 0.31 -1.49 1.46 -0.62 -1.11 0.00 0.00 177.39 175.95 1n56 s ASP 179 N 0.20 6.56 0.23 1.96 -1.08 -1.26 -4.39 116.67 118.88 1n56 s ASP 179 Ca 0.86 2.47 0.14 0.00 -0.52 0.00 0.00 52.55 55.50 1n56 s ASP 179 Cb -1.08 -2.54 0.79 0.00 -1.46 0.00 0.00 42.92 38.63 1n56 s ASP 179 CO 0.52 -0.98 1.42 0.00 0.52 0.00 0.00 175.17 176.65 1n56 n ILE 180 N 5.39 1.23 0.59 4.11 3.06 -0.52 -0.81 119.36 132.41 1n56 n ILE 180 Ca 0.18 0.67 0.13 0.00 -2.50 0.00 0.00 62.75 61.23 1n56 n ILE 180 Cb 0.42 -1.67 0.36 0.00 0.54 0.00 0.00 39.64 39.29 1n56 n ILE 180 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1n56 h ALA 181 N 1.87 0.96 -0.42 1.51 0.00 -1.88 -3.10 119.26 118.20 1n56 h ALA 181 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n56 h ALA 181 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1n56 h ALA 181 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1n56 n ASP 182 N -2.31 2.83 -4.71 0.00 8.00 0.01 -4.80 116.55 115.58 1n56 n ASP 182 Ca 0.05 -2.17 -0.39 0.00 0.71 0.00 0.00 54.79 52.99 1n56 n ASP 182 Cb 0.44 -0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 41.09 1n56 n ASP 182 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1n56 s VAL 183 N -1.60 5.12 0.03 2.53 1.01 -1.17 -4.97 120.40 121.34 1n56 s VAL 183 Ca 0.31 1.12 -0.36 0.00 0.00 0.00 0.00 61.98 63.05 1n56 s VAL 183 Cb 0.18 -3.90 -0.15 0.00 0.00 0.00 0.00 36.38 32.51 1n56 s VAL 183 CO 0.17 0.26 1.52 -2.65 0.00 0.00 0.00 175.10 174.40 1n56 n PRO 184 N 4.00 1.50 0.00 2.72 -0.02 -1.26 -1.39 135.00 140.55 1n56 n PRO 184 Ca -0.04 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1n56 n PRO 184 Cb 0.51 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1n56 n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n56 n GLY 185 N 3.22 0.74 3.41 -1.23 0.00 -1.26 -5.04 105.19 105.04 1n56 n GLY 185 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1n56 n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n56 s ILE 186 N -2.14 4.98 0.00 -0.61 -1.09 -0.49 -5.03 121.20 116.83 1n56 s ILE 186 Ca 0.00 -0.81 0.00 0.00 -2.23 0.00 0.00 60.65 57.61 1n56 s ILE 186 Cb 0.00 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1n56 s ILE 186 CO 0.00 -0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.00 1n56 n GLY 187 N 5.10 1.06 0.20 6.18 0.00 -1.26 -4.79 105.19 111.69 1n56 n GLY 187 Ca -0.11 -1.98 -0.14 0.00 0.00 0.00 0.00 46.02 43.78 1n56 n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1n56 h ASN 188 N 0.00 -0.37 -0.81 1.61 -0.26 -1.97 0.38 115.58 114.17 1n56 h ASN 188 Ca 0.00 -0.07 0.10 0.00 -0.56 0.00 0.00 56.30 55.77 1n56 h ASN 188 Cb 0.00 0.10 -0.08 0.00 -1.06 0.00 0.00 38.32 37.28 1n56 h ASN 188 CO 0.00 -0.16 0.45 0.40 -1.06 0.00 0.00 177.43 177.06 1n56 h ILE 189 N -0.57 0.88 0.02 2.81 2.04 -1.99 0.72 117.51 121.42 1n56 h ILE 189 Ca -0.04 -0.25 -0.27 0.00 1.00 0.00 0.00 64.86 65.29 1n56 h ILE 189 Cb 0.42 0.07 0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1n56 h ILE 189 CO 0.07 0.13 -1.07 0.74 0.00 0.00 0.00 178.15 178.03 1n56 h THR 190 N 0.74 1.29 -0.10 -0.27 2.02 -1.91 -2.54 112.91 112.14 1n56 h THR 190 Ca 0.40 -2.31 -0.00 0.00 0.77 0.00 0.00 66.41 65.27 1n56 h THR 190 Cb 0.40 2.44 -0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1n56 h THR 190 CO -0.26 0.71 0.06 0.00 0.37 0.00 0.00 175.52 176.39 1n56 h ALA 191 N 0.43 1.92 0.16 6.16 0.00 0.40 -1.82 119.26 126.51 1n56 h ALA 191 Ca -0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1n56 h ALA 191 Cb 1.72 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1n56 h ALA 191 CO 0.21 0.07 -0.08 1.49 0.00 0.00 0.00 179.25 180.94 1n56 h GLU 192 N 0.13 -0.21 -0.69 0.00 4.57 -0.77 -1.89 114.58 115.72 1n56 h GLU 192 Ca 0.04 0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.38 1n56 h GLU 192 Cb -0.01 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.59 1n56 h GLU 192 CO -0.01 0.21 0.47 0.87 -1.18 0.00 0.00 179.01 179.37 1n56 h LYS 193 N -0.74 0.31 -0.11 1.92 1.57 -1.05 -0.62 116.57 117.85 1n56 h LYS 193 Ca -0.02 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.55 1n56 h LYS 193 Cb 0.51 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.76 1n56 h LYS 193 CO 0.04 0.20 -0.66 -0.07 -0.57 0.00 0.00 179.45 178.39 1n56 h LEU 194 N 0.32 0.78 -1.11 2.94 3.38 -1.27 -3.11 115.31 117.25 1n56 h LEU 194 Ca 0.34 -0.65 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1n56 h LEU 194 Cb 0.87 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1n56 h LEU 194 CO -0.09 1.31 0.49 0.50 0.09 0.00 0.00 178.44 180.73 1n56 h LYS 195 N 0.31 1.10 -0.31 1.13 3.64 -0.41 0.57 116.57 122.60 1n56 h LYS 195 Ca -0.05 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1n56 h LYS 195 Cb 1.31 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1n56 h LYS 195 CO 0.14 0.77 0.00 1.63 -2.27 0.00 0.00 179.45 179.71 1n56 n LYS 196 N -4.38 0.41 -0.07 1.90 5.02 -0.35 -0.73 118.16 119.97 1n56 n LYS 196 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1n56 n LYS 196 Cb 0.07 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1n56 n LYS 196 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1n56 n LEU 197 N 0.09 0.00 0.00 -0.35 4.77 0.14 -4.99 117.00 116.67 1n56 n LEU 197 Ca 0.00 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1n56 n LEU 197 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1n56 n LEU 197 CO 0.00 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1n56 n GLY 198 N 0.00 0.75 3.65 -0.72 0.00 0.09 -4.94 105.19 104.02 1n56 n GLY 198 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1n56 n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n56 s ILE 199 N -2.37 4.36 0.00 -0.61 1.01 -0.91 -4.78 121.20 117.91 1n56 s ILE 199 Ca 0.00 1.61 0.00 0.00 0.00 0.00 0.00 60.65 62.26 1n56 s ILE 199 Cb 0.00 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1n56 s ILE 199 CO 0.00 -0.28 0.07 0.59 0.00 0.00 0.00 174.94 175.31 1n56 n ASN 200 N 6.85 0.00 -3.89 3.58 3.02 -1.26 -3.69 115.26 119.87 1n56 n ASN 200 Ca 0.13 -1.00 -0.11 0.00 -0.03 0.00 0.00 54.58 53.57 1n56 n ASN 200 Cb 0.46 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.52 1n56 n ASN 200 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1n56 s LYS 201 N -0.00 0.34 0.22 3.52 -0.14 -1.26 -1.44 119.74 120.99 1n56 s LYS 201 Ca 0.00 -0.30 -0.09 0.00 -1.36 0.00 0.00 55.97 54.22 1n56 s LYS 201 Cb 0.00 0.14 0.35 0.00 -1.68 0.00 0.00 37.83 36.64 1n56 s LYS 201 CO 0.00 -0.07 1.69 -0.07 -0.76 0.00 0.00 175.35 176.14 1n56 h LEU 202 N 4.83 -0.07 -1.08 3.17 3.38 -1.74 -1.02 115.31 122.78 1n56 h LEU 202 Ca -0.29 0.13 0.22 0.00 0.09 0.00 0.00 57.88 58.03 1n56 h LEU 202 Cb 1.20 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 42.04 1n56 h LEU 202 CO 0.42 -0.04 0.61 1.62 0.09 0.00 0.00 178.44 181.14 1n56 h VAL 203 N 0.22 0.61 0.00 1.22 3.04 -1.16 0.15 116.25 120.33 1n56 h VAL 203 Ca 0.35 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.82 1n56 h VAL 203 Cb 0.56 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.77 1n56 h VAL 203 CO -0.47 0.11 0.04 0.47 -1.01 0.00 0.00 177.57 176.71 1n56 n ASP 204 N -4.78 0.00 0.17 3.17 8.00 -0.38 -0.39 116.55 122.33 1n56 n ASP 204 Ca 0.25 0.43 0.10 0.00 0.71 0.00 0.00 54.79 56.28 1n56 n ASP 204 Cb 0.69 -0.43 0.09 0.00 -0.02 0.00 0.00 41.12 41.46 1n56 n ASP 204 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1n56 h THR 205 N 0.00 0.12 0.00 -3.53 1.35 -0.82 -3.27 112.91 106.75 1n56 h THR 205 Ca 0.00 -1.18 -0.02 0.00 -0.55 0.00 0.00 66.41 64.66 1n56 h THR 205 Cb 0.09 1.90 -0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1n56 h THR 205 CO 0.00 0.07 -0.19 -0.07 -0.25 0.00 0.00 175.52 175.07 1n56 h LEU 206 N 0.00 0.00 0.00 3.87 3.38 -0.87 -3.32 115.31 118.36 1n56 h LEU 206 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1n56 h LEU 206 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1n56 h LEU 206 CO 0.01 0.10 -1.55 -1.54 0.09 0.00 0.00 178.44 175.54 1n56 n SER 207 N -3.08 0.38 -4.83 -0.43 3.41 -1.24 -4.95 113.62 102.88 1n56 n SER 207 Ca 0.03 0.14 -0.33 0.00 -0.26 0.00 0.00 58.87 58.44 1n56 n SER 207 Cb 0.57 1.31 -0.06 0.00 -0.26 0.00 0.00 64.21 65.77 1n56 n SER 207 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1n56 s ILE 208 N -3.45 4.52 0.11 -1.33 2.07 -1.23 -4.99 121.20 116.90 1n56 s ILE 208 Ca -0.05 1.26 -0.31 0.00 -1.41 0.00 0.00 60.65 60.14 1n56 s ILE 208 Cb 0.12 -3.66 -0.10 0.00 0.13 0.00 0.00 42.46 38.95 1n56 s ILE 208 CO 0.86 -0.18 1.85 -0.70 -1.91 0.00 0.00 174.94 174.86 1n56 s GLU 209 N -2.89 4.14 0.04 3.50 2.12 -1.26 -4.92 118.70 119.42 1n56 s GLU 209 Ca 0.56 2.59 -0.12 0.00 0.36 0.00 0.00 54.97 58.36 1n56 s GLU 209 Cb -0.11 -3.68 -0.05 0.00 0.26 0.00 0.00 34.13 30.56 1n56 s GLU 209 CO 0.16 -0.86 1.19 0.35 -0.54 0.00 0.00 175.26 175.57 1n56 h PHE 210 N 8.89 -0.55 0.00 5.30 3.57 -1.94 -1.64 116.94 130.56 1n56 h PHE 210 Ca -0.46 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1n56 h PHE 210 Cb 1.22 0.24 0.00 0.00 2.79 0.00 0.00 35.95 40.20 1n56 h PHE 210 CO 0.82 -0.20 0.47 -0.44 -2.23 0.00 0.00 178.31 176.72 1n56 h ASP 211 N -0.23 0.00 0.03 0.41 3.32 -1.97 0.52 116.42 118.49 1n56 h ASP 211 Ca 0.01 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1n56 h ASP 211 Cb 0.25 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.81 1n56 h ASP 211 CO -0.13 0.00 -0.25 0.50 -1.72 0.00 0.00 179.24 177.64 1n56 h LYS 212 N 0.00 0.12 -0.30 3.56 3.64 -1.70 -1.97 116.57 119.92 1n56 h LYS 212 Ca 0.00 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 1n56 h LYS 212 Cb 0.93 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1n56 h LYS 212 CO 0.00 1.00 0.02 1.25 -2.27 0.00 0.00 179.45 179.45 1n56 h LEU 213 N -0.69 0.50 -0.47 5.20 5.85 0.37 -2.69 115.31 123.39 1n56 h LEU 213 Ca -0.04 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.40 1n56 h LEU 213 Cb 1.11 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1n56 h LEU 213 CO 0.05 0.67 0.30 0.50 -0.34 0.00 0.00 178.44 179.62 1n56 h LYS 214 N 0.32 0.58 0.00 1.25 3.64 -0.45 0.18 116.57 122.10 1n56 h LYS 214 Ca 0.09 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1n56 h LYS 214 Cb 0.40 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1n56 h LYS 214 CO 0.01 0.39 0.00 0.78 -2.27 0.00 0.00 179.45 178.36 1n56 h GLY 215 N 0.60 0.00 0.11 5.01 0.00 -1.30 0.22 103.07 107.72 1n56 h GLY 215 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.16 1n56 h GLY 215 CO -0.06 0.00 -1.95 -0.13 0.00 0.00 0.00 176.54 174.40 1n56 n MET 216 N -2.64 0.62 -0.16 4.80 0.00 -0.39 -4.65 117.12 114.72 1n56 n MET 216 Ca -0.00 0.37 0.06 0.00 -0.00 0.00 0.00 57.70 58.13 1n56 n MET 216 Cb 0.18 -1.63 0.13 0.00 0.00 0.00 0.00 33.22 31.90 1n56 n MET 216 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 1n56 n ILE 217 N -4.05 1.55 0.00 1.12 -5.35 0.49 -5.03 119.36 108.09 1n56 n ILE 217 Ca -0.41 -1.58 0.00 0.00 -0.27 0.00 0.00 62.75 60.49 1n56 n ILE 217 Cb 0.85 0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.86 1n56 n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1n56 n GLY 218 N -0.58 -2.19 0.21 3.28 0.00 0.78 -4.28 105.19 102.41 1n56 n GLY 218 Ca 0.12 -1.39 -0.08 0.00 0.00 0.00 0.00 46.02 44.67 1n56 n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n56 h GLU 219 N 0.00 0.68 -0.14 1.61 4.81 -1.92 -2.32 114.58 117.30 1n56 h GLU 219 Ca 0.00 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1n56 h GLU 219 Cb 0.00 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1n56 h GLU 219 CO 0.00 0.51 0.07 0.00 -0.73 0.00 0.00 179.01 178.86 1n56 h ALA 220 N 1.13 0.17 -0.22 2.92 0.00 -1.95 -0.79 119.26 120.52 1n56 h ALA 220 Ca 0.17 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1n56 h ALA 220 Cb 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1n56 h ALA 220 CO -0.03 -0.28 -0.33 0.87 0.00 0.00 0.00 179.25 179.47 1n56 h LYS 221 N 0.11 0.45 0.36 0.00 1.57 -1.74 -0.86 116.57 116.47 1n56 h LYS 221 Ca 0.05 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1n56 h LYS 221 Cb 0.08 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1n56 h LYS 221 CO -0.01 0.73 -0.17 0.00 -0.57 0.00 0.00 179.45 179.43 1n56 h ALA 222 N 1.26 -0.48 -0.97 3.86 0.00 -1.16 0.15 119.26 121.92 1n56 h ALA 222 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1n56 h ALA 222 Cb 0.77 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1n56 h ALA 222 CO 0.06 -0.77 0.60 0.87 0.00 0.00 0.00 179.25 180.02 1n56 h LYS 223 N -0.48 1.30 0.95 0.00 1.57 -1.07 -0.61 116.57 118.22 1n56 h LYS 223 Ca -0.05 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1n56 h LYS 223 Cb 0.37 -0.28 0.01 0.00 0.08 0.00 0.00 32.23 32.41 1n56 h LYS 223 CO 0.08 0.89 -0.46 -0.92 -0.57 0.00 0.00 179.45 178.47 1n56 h TYR 224 N 1.32 -1.18 -0.42 -1.35 3.20 -0.83 -0.78 116.97 116.93 1n56 h TYR 224 Ca 0.35 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.25 1n56 h TYR 224 Cb -0.09 0.39 -0.05 0.00 1.54 0.00 0.00 36.73 38.52 1n56 h TYR 224 CO 0.00 -0.74 0.11 -0.07 -1.64 0.00 0.00 178.16 175.83 1n56 h LEU 225 N -1.29 0.07 0.26 2.82 3.38 -0.57 -1.80 115.31 118.18 1n56 h LEU 225 Ca -0.13 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1n56 h LEU 225 Cb 0.98 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1n56 h LEU 225 CO 0.21 0.07 -0.23 0.40 0.09 0.00 0.00 178.44 178.99 1n56 h ILE 226 N 0.25 0.52 -0.62 1.22 2.04 -1.08 0.44 117.51 120.28 1n56 h ILE 226 Ca 0.20 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.21 1n56 h ILE 226 Cb 0.22 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1n56 h ILE 226 CO -0.24 0.00 0.43 0.77 0.00 0.00 0.00 178.15 179.11 1n56 h SER 227 N -0.50 0.18 -0.00 1.72 4.64 -0.93 0.56 113.55 119.22 1n56 h SER 227 Ca -0.01 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1n56 h SER 227 Cb 0.45 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1n56 h SER 227 CO -0.03 0.10 -0.59 -0.07 -0.87 0.00 0.00 176.83 175.36 1n56 h LEU 228 N 0.20 0.68 -0.33 5.97 3.38 -0.50 0.27 115.31 124.98 1n56 h LEU 228 Ca 0.30 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1n56 h LEU 228 Cb 0.91 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1n56 h LEU 228 CO -0.05 1.12 -0.07 0.00 0.09 0.00 0.00 178.44 179.53 1n56 h ALA 229 N 0.89 0.45 0.00 1.53 0.00 0.21 -2.50 119.26 119.85 1n56 h ALA 229 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1n56 h ALA 229 Cb 1.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1n56 h ALA 229 CO 0.11 0.28 0.00 0.54 0.00 0.00 0.00 179.25 180.18 1n56 n ARG 230 N -4.45 0.71 -3.32 0.00 1.74 0.66 -4.84 116.66 107.16 1n56 n ARG 230 Ca -0.02 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.82 1n56 n ARG 230 Cb 0.32 -1.41 0.03 0.00 -1.02 0.00 0.00 32.46 30.38 1n56 n ARG 230 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1n56 n ASP 231 N -0.91 -5.44 -0.38 0.55 2.03 -0.94 -4.87 116.55 106.59 1n56 n ASP 231 Ca 0.14 -0.42 0.04 0.00 0.52 0.00 0.00 54.79 55.07 1n56 n ASP 231 Cb 0.06 -4.38 0.11 0.00 -0.72 0.00 0.00 41.12 36.20 1n56 n ASP 231 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1n56 n GLU 232 N -4.22 2.74 -1.86 -0.67 1.02 0.91 -5.01 120.64 113.54 1n56 n GLU 232 Ca -0.05 -2.02 -0.43 0.00 -0.02 0.00 0.00 57.16 54.64 1n56 n GLU 232 Cb 0.58 -1.28 -0.03 0.00 -0.02 0.00 0.00 31.44 30.70 1n56 n GLU 232 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1n56 s TYR 233 N -1.46 1.59 -0.22 -0.32 5.04 -0.88 -4.91 117.35 116.20 1n56 s TYR 233 Ca 0.18 0.58 0.00 0.00 -2.44 0.00 0.00 57.07 55.39 1n56 s TYR 233 Cb 0.12 -4.06 0.06 0.00 0.35 0.00 0.00 41.96 38.43 1n56 s TYR 233 CO 0.08 -3.38 -0.04 0.54 -1.34 0.00 0.00 175.55 171.41 1n56 s ASN 234 N 6.75 3.58 -0.17 4.32 4.22 -1.26 -4.93 114.94 127.45 1n56 s ASN 234 Ca 0.87 -1.06 -0.04 0.00 -2.14 0.00 0.00 52.86 50.49 1n56 s ASN 234 Cb -0.26 -1.06 0.08 0.00 1.28 0.00 0.00 41.25 41.28 1n56 s ASN 234 CO 0.34 -0.24 0.17 -1.61 -2.04 0.00 0.00 177.10 173.73 1n56 s GLU 235 N 1.49 0.13 0.83 3.55 0.41 -1.26 -5.15 118.70 118.70 1n56 s GLU 235 Ca -0.04 0.19 -0.11 0.00 -0.41 0.00 0.00 54.97 54.60 1n56 s GLU 235 Cb -0.18 -1.21 0.09 0.00 -1.78 0.00 0.00 34.13 31.05 1n56 s GLU 235 CO -0.07 -0.60 1.12 -1.25 -0.49 0.00 0.00 175.26 173.98 1n56 s PRO 236 N 2.27 1.71 -0.32 0.39 0.04 -1.26 -4.71 135.00 133.12 1n56 s PRO 236 Ca 0.05 1.37 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 1n56 s PRO 236 Cb -0.15 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.58 1n56 s PRO 236 CO -0.10 -2.08 1.09 0.42 0.04 0.00 0.00 177.00 176.36 1n56 s ILE 237 N -2.74 4.49 0.11 0.56 1.09 -1.26 -5.00 121.20 118.45 1n56 s ILE 237 Ca 0.64 1.72 0.09 0.00 -1.10 0.00 0.00 60.65 62.00 1n56 s ILE 237 Cb -0.20 -4.40 -0.04 0.00 -1.06 0.00 0.00 42.46 36.76 1n56 s ILE 237 CO 0.56 -0.48 -0.23 0.00 -0.10 0.00 0.00 174.94 174.69 1n56 s ARG 238 N 3.68 1.21 0.02 2.79 1.70 -1.26 -4.79 118.95 122.30 1n56 s ARG 238 Ca 0.46 -1.23 -0.30 0.00 -0.47 0.00 0.00 55.73 54.19 1n56 s ARG 238 Cb -0.12 -1.55 -0.07 0.00 -0.57 0.00 0.00 34.95 32.64 1n56 s ARG 238 CO 0.16 0.36 1.55 0.99 -1.08 0.00 0.00 175.30 177.28 1n56 s THR 239 N -1.14 3.42 0.14 4.99 2.01 -1.26 -4.41 115.64 119.39 1n56 s THR 239 Ca 0.09 0.78 -0.20 0.00 0.31 0.00 0.00 61.69 62.67 1n56 s THR 239 Cb -0.10 -3.50 -0.07 0.00 0.01 0.00 0.00 72.50 68.83 1n56 s THR 239 CO 0.05 -0.02 0.65 -0.60 -0.69 0.00 0.00 174.62 174.01 1n56 s ARG 240 N 2.80 4.27 -0.14 4.92 3.52 -1.26 -5.05 118.95 128.02 1n56 s ARG 240 Ca 0.69 0.83 0.01 0.00 -0.13 0.00 0.00 55.73 57.14 1n56 s ARG 240 Cb -0.35 -3.12 -0.00 0.00 -1.56 0.00 0.00 34.95 29.92 1n56 s ARG 240 CO 0.29 0.55 -0.17 0.08 -0.81 0.00 0.00 175.30 175.24 1n56 s VAL 241 N -1.26 2.61 0.07 7.11 1.01 -1.26 -4.98 120.40 123.69 1n56 s VAL 241 Ca 0.35 -0.80 -0.31 0.00 0.00 0.00 0.00 61.98 61.22 1n56 s VAL 241 Cb -0.19 -2.08 -0.09 0.00 0.00 0.00 0.00 36.38 34.02 1n56 s VAL 241 CO 0.21 0.53 1.71 -0.60 0.00 0.00 0.00 175.10 176.95 1n56 s ARG 242 N 0.61 4.18 0.00 2.72 3.52 -1.26 -4.89 118.95 123.83 1n56 s ARG 242 Ca -0.09 2.39 0.15 0.00 -0.13 0.00 0.00 55.73 58.05 1n56 s ARG 242 Cb -0.16 -3.66 0.05 0.00 -1.56 0.00 0.00 34.95 29.62 1n56 s ARG 242 CO 0.03 -0.78 0.88 1.63 -0.81 0.00 0.00 175.30 176.26 1n56 n LYS 243 N 5.85 1.53 -3.52 5.12 5.02 -1.26 -5.00 118.16 125.90 1n56 n LYS 243 Ca 0.17 -1.04 -0.15 0.00 -2.02 0.00 0.00 58.31 55.27 1n56 n LYS 243 Cb 0.40 -1.26 -0.05 0.00 -0.02 0.00 0.00 35.03 34.10 1n56 n LYS 243 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1n56 s SER 244 N -1.59 -0.56 -0.04 4.39 1.04 -1.26 -3.83 113.70 111.84 1n56 s SER 244 Ca 0.15 0.49 -0.02 0.00 0.48 0.00 0.00 55.95 57.05 1n56 s SER 244 Cb 0.12 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.75 1n56 s SER 244 CO 0.30 -0.60 0.10 -0.63 0.98 0.00 0.00 173.24 173.39 1n56 s ILE 245 N -1.67 -0.03 0.08 -1.02 1.01 0.01 -4.96 121.20 114.61 1n56 s ILE 245 Ca -0.06 0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 1n56 s ILE 245 Cb -0.00 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.32 1n56 s ILE 245 CO 0.03 0.05 0.28 0.61 0.00 0.00 0.00 174.94 175.92 1n56 n GLY 246 N 3.77 1.33 3.61 6.18 0.00 -1.26 0.37 105.19 119.19 1n56 n GLY 246 Ca -0.22 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 1n56 n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n56 s ARG 247 N -2.02 0.85 -0.04 1.61 6.06 -0.43 -4.86 118.95 120.13 1n56 s ARG 247 Ca 0.06 0.91 0.01 0.00 -2.50 0.00 0.00 55.73 54.21 1n56 s ARG 247 Cb -0.01 0.42 0.02 0.00 0.06 0.00 0.00 34.95 35.44 1n56 s ARG 247 CO 0.02 -0.12 -0.02 0.42 -2.50 0.00 0.00 175.30 173.10 1n56 s ILE 248 N 0.21 0.36 0.28 4.11 1.01 -1.26 -0.85 121.20 125.06 1n56 s ILE 248 Ca -0.01 -0.03 0.11 0.00 0.00 0.00 0.00 60.65 60.72 1n56 s ILE 248 Cb -0.04 -0.41 -0.05 0.00 0.01 0.00 0.00 42.46 41.96 1n56 s ILE 248 CO 0.02 0.18 -0.18 0.68 0.00 0.00 0.00 174.94 175.64 1n56 s VAL 249 N 0.91 2.41 -0.14 2.92 -7.23 -0.57 -4.94 120.40 113.75 1n56 s VAL 249 Ca -0.11 -2.37 -0.18 0.00 -1.81 0.00 0.00 61.98 57.51 1n56 s VAL 249 Cb -0.14 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 1n56 s VAL 249 CO -0.01 -0.39 0.46 -0.89 -0.31 0.00 0.00 175.10 173.97 1n56 s THR 250 N -2.55 5.19 0.39 5.32 2.01 -1.26 -1.66 115.64 123.08 1n56 s THR 250 Ca 0.30 0.90 -0.22 0.00 0.31 0.00 0.00 61.69 62.98 1n56 s THR 250 Cb -0.04 -3.80 -0.10 0.00 0.01 0.00 0.00 72.50 68.57 1n56 s THR 250 CO 0.15 0.30 0.93 -0.04 -0.69 0.00 0.00 174.62 175.27 1n56 s MET 251 N 0.81 4.30 0.53 4.92 -1.94 -0.42 -4.89 119.30 122.60 1n56 s MET 251 Ca 0.24 1.13 0.31 0.00 -1.71 0.00 0.00 55.69 55.67 1n56 s MET 251 Cb -0.15 -2.37 1.46 0.00 2.01 0.00 0.00 34.83 35.79 1n56 s MET 251 CO 0.09 0.07 1.87 -0.22 -0.01 0.00 0.00 175.02 176.82 1n56 h LYS 252 N 2.28 0.03 -1.96 2.03 1.63 -1.89 -3.42 116.57 115.29 1n56 h LYS 252 Ca -0.48 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.29 1n56 h LYS 252 Cb 1.18 -0.01 -0.22 0.00 -0.60 0.00 0.00 32.23 32.59 1n56 h LYS 252 CO 0.62 0.02 0.17 -0.98 -3.45 0.00 0.00 179.45 175.83 1n56 s ARG 253 N -5.01 0.81 0.87 1.90 1.04 -1.26 -4.70 118.95 112.59 1n56 s ARG 253 Ca -0.05 0.93 -0.14 0.00 -1.04 0.00 0.00 55.73 55.43 1n56 s ARG 253 Cb 0.22 0.39 -0.01 0.00 -2.04 0.00 0.00 34.95 33.51 1n56 s ARG 253 CO 0.78 -0.10 0.31 0.09 -0.04 0.00 0.00 175.30 176.34 1n56 n ASN 254 N 2.58 -2.21 -3.76 -2.89 3.02 -1.26 -4.95 115.26 105.79 1n56 n ASN 254 Ca -0.14 0.41 0.04 0.00 -0.03 0.00 0.00 54.58 54.86 1n56 n ASN 254 Cb 0.55 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 1n56 n ASN 254 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1n56 s SER 255 N -1.70 -0.01 0.00 6.41 0.15 -0.56 -4.94 113.70 113.06 1n56 s SER 255 Ca 0.58 -0.05 0.08 0.00 0.70 0.00 0.00 55.95 57.26 1n56 s SER 255 Cb -0.26 0.05 0.13 0.00 -1.71 0.00 0.00 66.02 64.23 1n56 s SER 255 CO 0.66 -0.09 0.96 -2.11 1.20 0.00 0.00 173.24 173.86 1n56 n ARG 256 N -0.72 0.00 -3.35 5.44 1.85 -1.26 -0.47 116.66 118.15 1n56 n ARG 256 Ca -0.02 -1.13 -0.43 0.00 -1.00 0.00 0.00 57.85 55.27 1n56 n ARG 256 Cb 0.61 0.13 -0.08 0.00 -1.05 0.00 0.00 32.46 32.06 1n56 n ARG 256 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1n56 s ASN 257 N -1.13 6.17 0.01 2.89 3.84 -1.26 -5.01 114.94 120.46 1n56 s ASN 257 Ca 0.10 -0.94 -0.03 0.00 0.21 0.00 0.00 52.86 52.21 1n56 s ASN 257 Cb 0.12 -2.21 -0.01 0.00 -0.55 0.00 0.00 41.25 38.60 1n56 s ASN 257 CO -0.05 -0.61 0.97 -0.11 -2.79 0.00 0.00 177.10 174.50 1n56 n LEU 258 N 5.47 -0.09 -0.37 3.21 7.94 -1.26 -0.68 117.00 131.23 1n56 n LEU 258 Ca -0.09 0.99 0.34 0.00 -1.11 0.00 0.00 56.01 56.13 1n56 n LEU 258 Cb 0.46 -0.44 0.69 0.00 0.53 0.00 0.00 43.42 44.66 1n56 n LEU 258 CO 0.46 -0.54 1.30 -0.33 -1.11 0.00 0.00 177.39 177.18 1n56 h GLU 259 N 0.00 0.10 0.00 1.96 4.39 -2.00 0.61 114.58 119.65 1n56 h GLU 259 Ca 0.01 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 1n56 h GLU 259 Cb 0.03 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1n56 h GLU 259 CO -0.08 0.07 -0.56 1.49 -1.16 0.00 0.00 179.01 178.77 1n56 h GLU 260 N 0.11 0.00 0.02 2.33 4.81 -1.32 -3.28 114.58 117.24 1n56 h GLU 260 Ca 0.63 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.55 1n56 h GLU 260 Cb 2.24 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.57 1n56 h GLU 260 CO -0.12 0.56 -1.80 -0.89 -0.73 0.00 0.00 179.01 176.03 1n56 n ILE 261 N -3.48 1.62 -0.33 2.32 5.41 0.19 -4.47 119.36 120.62 1n56 n ILE 261 Ca 0.00 -0.78 -0.07 0.00 1.00 0.00 0.00 62.75 62.91 1n56 n ILE 261 Cb 0.66 -1.11 -0.03 0.00 -0.71 0.00 0.00 39.64 38.45 1n56 n ILE 261 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1n56 h LYS 262 N 0.01 -0.08 -0.95 0.38 1.57 -0.94 -1.20 116.57 115.37 1n56 h LYS 262 Ca -0.32 0.01 0.24 0.00 -1.87 0.00 0.00 60.65 58.70 1n56 h LYS 262 Cb 2.03 0.02 -0.13 0.00 0.08 0.00 0.00 32.23 34.23 1n56 h LYS 262 CO 0.08 -0.05 0.48 -1.35 -0.57 0.00 0.00 179.45 178.04 1n56 h PRO 263 N -0.08 0.45 -0.25 3.15 0.11 -1.78 0.13 132.00 133.73 1n56 h PRO 263 Ca 0.23 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.16 1n56 h PRO 263 Cb 0.53 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.54 1n56 h PRO 263 CO -0.87 0.30 -0.47 1.88 -0.21 0.00 0.00 178.00 178.62 1n56 h TYR 264 N 0.46 0.95 -0.12 0.65 0.05 -1.52 -2.09 116.97 115.36 1n56 h TYR 264 Ca 0.61 -0.34 0.03 0.00 0.05 0.00 0.00 58.73 59.08 1n56 h TYR 264 Cb 1.18 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.71 1n56 h TYR 264 CO -0.08 1.14 -0.06 1.25 -1.05 0.00 0.00 178.16 179.36 1n56 h LEU 265 N 0.49 -0.20 -0.70 3.88 5.85 -0.09 -1.22 115.31 123.32 1n56 h LEU 265 Ca 0.01 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1n56 h LEU 265 Cb 1.08 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 1n56 h LEU 265 CO 0.11 -0.08 0.28 -0.26 -0.34 0.00 0.00 178.44 178.14 1n56 h PHE 266 N -0.05 1.06 -0.42 1.25 0.04 -0.85 -1.02 116.94 116.95 1n56 h PHE 266 Ca 0.07 -0.08 0.03 0.00 2.80 0.00 0.00 57.97 60.79 1n56 h PHE 266 Cb 0.15 -0.32 -0.04 0.00 2.20 0.00 0.00 35.95 37.95 1n56 h PHE 266 CO -0.19 0.82 0.21 -0.09 -0.60 0.00 0.00 178.31 178.46 1n56 h ARG 267 N 0.99 0.41 -0.94 1.51 2.43 -1.08 0.32 114.38 118.01 1n56 h ARG 267 Ca 0.23 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1n56 h ARG 267 Cb 0.21 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 1n56 h ARG 267 CO -0.02 0.27 0.62 0.00 -1.51 0.00 0.00 179.97 179.34 1n56 h ALA 268 N 1.22 1.35 0.10 2.80 0.00 -0.78 -0.98 119.26 122.97 1n56 h ALA 268 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1n56 h ALA 268 Cb 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1n56 h ALA 268 CO -0.13 0.58 -0.05 0.82 0.00 0.00 0.00 179.25 180.48 1n56 h ILE 269 N 1.25 1.02 -0.29 0.00 2.04 0.20 -1.10 117.51 120.63 1n56 h ILE 269 Ca 0.36 -0.46 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1n56 h ILE 269 Cb -0.09 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 1n56 h ILE 269 CO -0.09 0.11 -0.11 -0.33 0.00 0.00 0.00 178.15 177.73 1n56 h GLU 270 N -0.35 -0.05 0.00 2.37 4.39 0.10 -0.32 114.58 120.72 1n56 h GLU 270 Ca -0.01 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1n56 h GLU 270 Cb 0.29 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1n56 h GLU 270 CO 0.02 -0.04 -0.20 0.93 -1.16 0.00 0.00 179.01 178.57 1n56 h GLU 271 N -0.06 0.00 -0.13 2.33 5.08 -1.13 -1.79 114.58 118.88 1n56 h GLU 271 Ca 0.15 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 1n56 h GLU 271 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1n56 h GLU 271 CO -0.33 0.20 -0.39 0.77 -1.00 0.00 0.00 179.01 178.26 1n56 h SER 272 N 0.00 0.57 -0.92 1.42 0.02 -0.10 -2.39 113.55 112.16 1n56 h SER 272 Ca -0.00 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1n56 h SER 272 Cb 0.36 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 1n56 h SER 272 CO 0.03 1.07 0.59 1.88 -1.14 0.00 0.00 176.83 179.25 1n56 h TYR 273 N 0.11 1.17 -0.52 3.45 0.05 -0.73 0.33 116.97 120.83 1n56 h TYR 273 Ca -0.01 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.80 1n56 h TYR 273 Cb 1.01 -0.39 -0.03 0.00 1.01 0.00 0.00 36.73 38.33 1n56 h TYR 273 CO 0.11 0.75 0.32 -0.92 -1.05 0.00 0.00 178.16 177.37 1n56 h TYR 274 N 1.25 0.60 0.00 4.88 3.20 -1.31 -2.10 116.97 123.49 1n56 h TYR 274 Ca 0.33 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.15 1n56 h TYR 274 Cb -0.11 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 1n56 h TYR 274 CO -0.00 0.36 -0.34 0.87 -1.64 0.00 0.00 178.16 177.41 1n56 h LYS 275 N 0.65 0.00 -0.83 1.82 1.57 -0.72 -2.91 116.57 116.15 1n56 h LYS 275 Ca 0.20 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1n56 h LYS 275 Cb -0.02 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1n56 h LYS 275 CO -0.07 0.34 0.55 -0.07 -0.57 0.00 0.00 179.45 179.62 1n56 h LEU 276 N 0.00 0.92 -2.73 2.94 3.38 0.32 -3.48 115.31 116.67 1n56 h LEU 276 Ca -0.00 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 1n56 h LEU 276 Cb 0.75 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.29 1n56 h LEU 276 CO 0.04 0.65 -0.90 -0.67 0.09 0.00 0.00 178.44 177.66 1n56 n ASP 277 N -4.43 -4.50 0.00 -0.43 2.03 -1.10 -1.99 116.55 106.13 1n56 n ASP 277 Ca 0.10 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1n56 n ASP 277 Cb 0.06 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.23 1n56 n ASP 277 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1n56 n LYS 278 N 0.25 0.00 -3.25 -0.67 4.76 -1.26 -5.00 118.16 112.99 1n56 n LYS 278 Ca -0.05 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.01 1n56 n LYS 278 Cb 0.49 -1.67 -0.06 0.00 -1.84 0.00 0.00 35.03 31.95 1n56 n LYS 278 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1n56 s ARG 279 N 0.00 4.26 -0.23 1.97 0.52 -0.84 -5.05 118.95 119.56 1n56 s ARG 279 Ca 0.00 0.70 -0.04 0.00 -0.52 0.00 0.00 55.73 55.87 1n56 s ARG 279 Cb 0.00 -3.31 -0.00 0.00 0.52 0.00 0.00 34.95 32.16 1n56 s ARG 279 CO 0.00 0.46 -0.03 0.42 0.02 0.00 0.00 175.30 176.18 1n56 s ILE 280 N -0.50 3.41 0.10 1.52 -1.09 -1.26 -4.89 121.20 118.49 1n56 s ILE 280 Ca 0.30 -0.58 -0.11 0.00 -2.23 0.00 0.00 60.65 58.02 1n56 s ILE 280 Cb -0.18 -2.61 -0.06 0.00 -1.58 0.00 0.00 42.46 38.03 1n56 s ILE 280 CO 0.17 0.35 0.44 -2.16 -1.23 0.00 0.00 174.94 172.51 1n56 s PRO 281 N 1.47 3.82 0.00 2.79 0.04 -1.26 -0.81 135.00 141.04 1n56 s PRO 281 Ca 0.05 0.27 0.16 0.00 0.04 0.00 0.00 61.00 61.51 1n56 s PRO 281 Cb -0.15 -2.98 -0.02 0.00 0.04 0.00 0.00 34.50 31.40 1n56 s PRO 281 CO -0.03 0.54 0.85 1.63 0.04 0.00 0.00 177.00 180.03 1n56 n LYS 282 N 0.88 1.68 -4.88 4.56 5.02 -0.62 -0.13 118.16 124.66 1n56 n LYS 282 Ca -0.07 -0.76 -0.26 0.00 -2.02 0.00 0.00 58.31 55.21 1n56 n LYS 282 Cb 0.52 -1.28 -0.16 0.00 -0.02 0.00 0.00 35.03 34.10 1n56 n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n56 s ALA 283 N -1.95 1.54 -0.02 7.82 0.00 -0.73 0.90 121.76 129.33 1n56 s ALA 283 Ca 0.13 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.33 1n56 s ALA 283 Cb 0.13 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1n56 s ALA 283 CO 0.43 0.35 -0.06 -1.50 0.00 0.00 0.00 175.76 174.98 1n56 s ILE 284 N -0.32 0.50 -0.07 0.00 2.07 -0.75 -1.09 121.20 121.54 1n56 s ILE 284 Ca 0.05 -0.21 0.02 0.00 -1.41 0.00 0.00 60.65 59.09 1n56 s ILE 284 Cb -0.08 -0.46 0.01 0.00 0.13 0.00 0.00 42.46 42.06 1n56 s ILE 284 CO -0.00 0.17 -0.12 -1.00 -1.91 0.00 0.00 174.94 172.07 1n56 s HIS 285 N 0.21 1.48 -0.16 3.50 3.76 0.21 -1.17 115.29 123.12 1n56 s HIS 285 Ca -0.02 -0.55 -0.17 0.00 -0.15 0.00 0.00 55.06 54.17 1n56 s HIS 285 Cb -0.07 -1.08 -0.04 0.00 1.11 0.00 0.00 32.58 32.50 1n56 s HIS 285 CO -0.00 -0.29 0.43 0.08 -0.85 0.00 0.00 174.74 174.11 1n56 s VAL 286 N 0.68 5.20 -0.10 -0.90 1.01 0.73 -0.66 120.40 126.36 1n56 s VAL 286 Ca -0.14 0.81 0.03 0.00 0.00 0.00 0.00 61.98 62.67 1n56 s VAL 286 Cb -0.16 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1n56 s VAL 286 CO 0.04 0.30 -0.19 -0.69 0.00 0.00 0.00 175.10 174.55 1n56 s VAL 287 N 0.92 2.49 0.00 2.92 1.01 -0.52 -1.68 120.40 125.55 1n56 s VAL 287 Ca 0.22 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.39 1n56 s VAL 287 Cb -0.15 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1n56 s VAL 287 CO 0.08 0.55 -0.20 0.00 0.00 0.00 0.00 175.10 175.53 1n56 s ALA 288 N 0.23 1.66 -0.26 5.51 0.00 0.94 -0.38 121.76 129.47 1n56 s ALA 288 Ca -0.13 -0.91 -0.06 0.00 0.00 0.00 0.00 51.96 50.87 1n56 s ALA 288 Cb -0.16 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 1n56 s ALA 288 CO 0.07 0.39 0.03 0.08 0.00 0.00 0.00 175.76 176.33 1n56 s VAL 289 N -0.57 3.77 0.95 0.00 1.01 0.20 -0.51 120.40 125.24 1n56 s VAL 289 Ca 0.07 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 1n56 s VAL 289 Cb -0.08 -2.83 0.16 0.00 0.00 0.00 0.00 36.38 33.63 1n56 s VAL 289 CO 0.00 0.26 1.14 0.42 0.00 0.00 0.00 175.10 176.91 1n56 s THR 290 N 1.51 1.98 -0.10 3.92 -4.23 -0.07 0.16 115.64 118.81 1n56 s THR 290 Ca 0.04 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 60.82 1n56 s THR 290 Cb -0.16 -2.70 0.28 0.00 1.34 0.00 0.00 72.50 71.26 1n56 s THR 290 CO 0.00 0.00 1.82 1.05 -0.54 0.00 0.00 174.62 176.96 1n56 h GLU 291 N -1.64 0.00 -0.53 3.99 4.11 -1.30 0.61 114.58 119.81 1n56 h GLU 291 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1n56 h GLU 291 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1n56 h GLU 291 CO 0.59 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.27 1n56 n ASP 292 N -2.46 3.07 -0.04 3.06 5.75 -1.26 -4.92 116.55 119.74 1n56 n ASP 292 Ca -0.01 -1.98 -0.01 0.00 -0.01 0.00 0.00 54.79 52.79 1n56 n ASP 292 Cb 0.11 -0.35 -0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1n56 n ASP 292 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1n56 n LEU 293 N 1.19 0.09 -4.83 -2.12 4.77 0.21 -5.03 117.00 111.27 1n56 n LEU 293 Ca 0.19 0.01 -0.32 0.00 -0.03 0.00 0.00 56.01 55.87 1n56 n LEU 293 Cb 0.50 -0.81 0.01 0.00 -2.33 0.00 0.00 43.42 40.78 1n56 n LEU 293 CO 0.14 -0.15 0.71 -0.62 -1.33 0.00 0.00 177.39 176.13 1n56 s ASP 294 N -2.15 5.94 -0.24 -1.43 3.68 -1.26 -4.75 116.67 116.46 1n56 s ASP 294 Ca 0.00 1.64 -0.02 0.00 2.13 0.00 0.00 52.55 56.29 1n56 s ASP 294 Cb 0.00 -2.51 0.02 0.00 -1.45 0.00 0.00 42.92 38.98 1n56 s ASP 294 CO 0.00 -1.06 -0.06 -0.63 0.13 0.00 0.00 175.17 173.55 1n56 s ILE 295 N -2.79 2.99 -0.02 4.11 1.01 -1.26 -0.89 121.20 124.35 1n56 s ILE 295 Ca 0.59 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 60.43 1n56 s ILE 295 Cb -0.13 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 1n56 s ILE 295 CO 0.44 0.27 -0.21 -0.69 0.00 0.00 0.00 174.94 174.75 1n56 s VAL 296 N 1.37 2.52 0.04 2.92 1.01 0.33 -4.98 120.40 123.61 1n56 s VAL 296 Ca 0.02 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 1n56 s VAL 296 Cb -0.16 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.30 1n56 s VAL 296 CO -0.04 0.55 0.32 -0.94 0.00 0.00 0.00 175.10 174.99 1n56 s SER 297 N -0.76 -0.15 -0.01 3.32 1.04 -1.26 -0.04 113.70 115.82 1n56 s SER 297 Ca 0.11 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1n56 s SER 297 Cb -0.10 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.41 1n56 s SER 297 CO 0.00 -0.63 0.01 -0.13 0.98 0.00 0.00 173.24 173.48 1n56 s ARG 298 N -2.56 0.04 0.30 4.02 1.81 -0.67 -4.97 118.95 116.91 1n56 s ARG 298 Ca -0.05 0.10 0.03 0.00 -1.72 0.00 0.00 55.73 54.09 1n56 s ARG 298 Cb -0.01 -0.21 -0.04 0.00 -0.45 0.00 0.00 34.95 34.25 1n56 s ARG 298 CO -0.03 -0.10 0.15 0.20 -0.68 0.00 0.00 175.30 174.83 1n56 s GLY 299 N 0.67 2.00 -0.04 -3.53 0.00 -1.26 -0.20 107.32 104.97 1n56 s GLY 299 Ca -0.06 -1.76 -0.11 0.00 0.00 0.00 0.00 44.72 42.79 1n56 s GLY 299 CO -0.02 -1.59 0.25 -1.60 0.00 0.00 0.00 173.10 170.14 1n56 s ARG 300 N -3.86 0.49 -0.11 2.90 3.52 -0.31 -4.98 118.95 116.60 1n56 s ARG 300 Ca 0.36 -0.04 0.02 0.00 -0.13 0.00 0.00 55.73 55.94 1n56 s ARG 300 Cb 0.05 0.22 -0.01 0.00 -1.56 0.00 0.00 34.95 33.66 1n56 s ARG 300 CO 0.17 -0.11 -0.19 0.99 -0.81 0.00 0.00 175.30 175.35 1n56 s THR 301 N -0.81 2.57 0.15 4.11 2.01 -1.26 -1.81 115.64 120.60 1n56 s THR 301 Ca -0.09 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.10 1n56 s THR 301 Cb -0.05 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1n56 s THR 301 CO 0.02 0.55 0.19 -0.36 -0.69 0.00 0.00 174.62 174.33 1n56 s PHE 302 N 0.24 3.29 -2.00 4.92 0.40 0.26 -4.97 117.98 120.12 1n56 s PHE 302 Ca -0.12 0.05 0.14 0.00 -0.60 0.00 0.00 56.93 56.40 1n56 s PHE 302 Cb -0.16 -1.59 0.83 0.00 0.51 0.00 0.00 43.02 42.62 1n56 s PHE 302 CO 0.07 0.52 1.48 -0.35 0.70 0.00 0.00 175.22 177.64 1n56 n PRO 303 N -0.35 0.93 -4.18 0.24 -0.04 -1.26 -4.79 135.00 125.55 1n56 n PRO 303 Ca -0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.24 1n56 n PRO 303 Cb 0.54 -1.23 -0.08 0.00 -0.04 0.00 0.00 33.50 32.69 1n56 n PRO 303 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1n56 s HIS 304 N -2.00 1.24 0.46 0.54 -3.43 -1.26 -5.14 115.29 105.70 1n56 s HIS 304 Ca 0.21 -1.38 -0.22 0.00 -0.80 0.00 0.00 55.06 52.87 1n56 s HIS 304 Cb 0.10 -0.42 -0.08 0.00 -1.43 0.00 0.00 32.58 30.75 1n56 s HIS 304 CO 0.16 -0.86 1.12 0.20 -2.00 0.00 0.00 174.74 173.36 1n56 s GLY 305 N -3.23 2.72 -0.24 -1.38 0.00 -1.26 -4.35 107.32 99.58 1n56 s GLY 305 Ca 0.36 0.84 -0.15 0.00 0.00 0.00 0.00 44.72 45.76 1n56 s GLY 305 CO 0.18 1.26 0.39 -0.42 0.00 0.00 0.00 173.10 174.52 1n56 s ILE 306 N -1.64 5.18 0.62 0.90 1.01 0.82 -4.95 121.20 123.14 1n56 s ILE 306 Ca 0.64 0.65 -0.08 0.00 0.00 0.00 0.00 60.65 61.85 1n56 s ILE 306 Cb -0.25 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1n56 s ILE 306 CO 0.31 0.20 0.98 -0.94 0.00 0.00 0.00 174.94 175.48 1n56 s SER 307 N 1.34 5.68 0.29 3.58 1.04 -1.26 -4.70 113.70 119.67 1n56 s SER 307 Ca 0.17 0.97 -0.02 0.00 0.48 0.00 0.00 55.95 57.55 1n56 s SER 307 Cb -0.15 -1.93 0.42 0.00 0.10 0.00 0.00 66.02 64.45 1n56 s SER 307 CO 0.09 -1.09 1.95 0.50 0.98 0.00 0.00 173.24 175.67 1n56 h LYS 308 N -0.33 1.13 -0.64 4.02 3.64 -1.98 0.21 116.57 122.63 1n56 h LYS 308 Ca -0.45 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 58.78 1n56 h LYS 308 Cb 1.24 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 1n56 h LYS 308 CO 0.62 0.75 0.08 0.93 -2.27 0.00 0.00 179.45 179.55 1n56 h GLU 309 N 1.16 1.08 -0.39 1.90 3.07 -1.99 0.18 114.58 119.59 1n56 h GLU 309 Ca 0.33 -0.30 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1n56 h GLU 309 Cb -0.08 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.69 1n56 h GLU 309 CO -0.08 1.01 0.13 1.15 -1.40 0.00 0.00 179.01 179.81 1n56 h THR 310 N 0.99 1.21 -0.61 1.13 2.02 -1.70 -0.83 112.91 115.13 1n56 h THR 310 Ca 0.19 -0.68 0.07 0.00 0.77 0.00 0.00 66.41 66.76 1n56 h THR 310 Cb 0.47 0.93 -0.06 0.00 -1.74 0.00 0.00 68.15 67.75 1n56 h THR 310 CO 0.02 0.24 0.28 0.00 0.37 0.00 0.00 175.52 176.43 1n56 h ALA 311 N 0.97 0.80 0.10 6.16 0.00 -0.04 0.29 119.26 127.53 1n56 h ALA 311 Ca 0.13 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1n56 h ALA 311 Cb 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1n56 h ALA 311 CO -0.01 -0.10 -0.12 1.88 0.00 0.00 0.00 179.25 180.90 1n56 h TYR 312 N 0.51 -0.31 -0.03 0.00 0.05 -0.17 -0.27 116.97 116.75 1n56 h TYR 312 Ca 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.06 1n56 h TYR 312 Cb 0.28 0.12 -0.00 0.00 1.01 0.00 0.00 36.73 38.14 1n56 h TYR 312 CO -0.12 -0.19 -0.03 0.66 -1.05 0.00 0.00 178.16 177.43 1n56 h SER 313 N -0.26 0.07 0.08 3.88 4.64 -0.63 -3.18 113.55 118.16 1n56 h SER 313 Ca 0.01 -0.49 -0.03 0.00 -0.47 0.00 0.00 61.79 60.81 1n56 h SER 313 Cb 0.26 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1n56 h SER 313 CO -0.05 0.55 -0.11 -0.08 -0.87 0.00 0.00 176.83 176.27 1n56 h GLU 314 N -0.40 0.08 -0.02 4.77 4.57 -0.46 -2.14 114.58 120.98 1n56 h GLU 314 Ca 0.00 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 1n56 h GLU 314 Cb 0.53 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1n56 h GLU 314 CO 0.01 0.20 -0.34 0.66 -1.18 0.00 0.00 179.01 178.35 1n56 h SER 315 N 0.08 0.03 -0.20 1.04 4.64 -1.03 -1.81 113.55 116.31 1n56 h SER 315 Ca 0.02 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.17 1n56 h SER 315 Cb 0.25 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1n56 h SER 315 CO 0.02 0.37 -0.50 0.58 -0.87 0.00 0.00 176.83 176.43 1n56 h VAL 316 N 0.03 1.32 -0.72 0.95 2.07 -1.37 -1.30 116.25 117.23 1n56 h VAL 316 Ca 0.00 -1.73 -0.03 0.00 0.82 0.00 0.00 66.70 65.76 1n56 h VAL 316 Cb 0.62 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 1n56 h VAL 316 CO 0.05 0.54 0.31 0.11 0.02 0.00 0.00 177.57 178.59 1n56 h LYS 317 N 0.38 1.04 -0.06 1.57 1.57 -1.35 -0.74 116.57 118.99 1n56 h LYS 317 Ca -0.01 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.47 1n56 h LYS 317 Cb 1.11 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1n56 h LYS 317 CO 0.11 0.83 -0.59 -0.07 -0.57 0.00 0.00 179.45 179.16 1n56 h LEU 318 N 1.03 0.20 -0.60 2.94 3.38 -1.25 -2.07 115.31 118.94 1n56 h LEU 318 Ca 0.24 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 1n56 h LEU 318 Cb 0.16 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1n56 h LEU 318 CO -0.03 0.74 -0.09 0.25 0.09 0.00 0.00 178.44 179.41 1n56 h LEU 319 N 0.14 1.01 -0.61 1.67 5.85 -0.56 -2.15 115.31 120.66 1n56 h LEU 319 Ca -0.00 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.34 1n56 h LEU 319 Cb 1.07 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1n56 h LEU 319 CO 0.09 1.11 0.16 1.56 -0.34 0.00 0.00 178.44 181.02 1n56 h GLN 320 N 0.91 0.96 -0.29 1.25 4.20 -0.95 -0.24 115.11 120.95 1n56 h GLN 320 Ca 0.15 -0.22 0.05 0.00 0.06 0.00 0.00 58.65 58.69 1n56 h GLN 320 Cb 0.65 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1n56 h GLN 320 CO 0.04 0.87 0.20 -0.22 -0.67 0.00 0.00 178.83 179.06 1n56 h LYS 321 N 0.88 0.15 0.05 1.46 3.64 -0.99 0.19 116.57 121.94 1n56 h LYS 321 Ca 0.19 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.32 1n56 h LYS 321 Cb 0.33 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1n56 h LYS 321 CO -0.00 0.10 -0.98 0.82 -2.27 0.00 0.00 179.45 177.12 1n56 h ILE 322 N 0.16 1.33 0.00 2.00 2.04 -0.70 -2.13 117.51 120.21 1n56 h ILE 322 Ca 0.13 -2.29 -0.04 0.00 1.00 0.00 0.00 64.86 63.66 1n56 h ILE 322 Cb 0.32 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1n56 h ILE 322 CO -0.02 0.69 -0.20 -0.07 0.00 0.00 0.00 178.15 178.55 1n56 h LEU 323 N 0.18 0.00 0.00 1.44 4.07 0.39 -1.72 115.31 119.67 1n56 h LEU 323 Ca -0.14 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.82 1n56 h LEU 323 Cb 1.67 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.41 1n56 h LEU 323 CO 0.19 0.20 -0.00 -0.33 -1.08 0.00 0.00 178.44 177.42 1n56 h GLU 324 N 0.00 -0.00 0.00 1.13 5.08 -0.68 -3.36 114.58 116.75 1n56 h GLU 324 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n56 h GLU 324 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1n56 h GLU 324 CO 0.03 0.92 0.00 0.39 -1.00 0.00 0.00 179.01 179.35 1n56 n GLU 325 N -4.63 0.58 -3.95 2.33 1.02 -0.81 -4.74 120.64 110.44 1n56 n GLU 325 Ca -0.09 0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 56.88 1n56 n GLU 325 Cb 0.44 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.20 1n56 n GLU 325 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1n56 s ASP 326 N -2.37 0.55 0.10 1.62 -1.08 -0.65 -5.03 116.67 109.81 1n56 s ASP 326 Ca 0.33 -0.04 0.26 0.00 -0.52 0.00 0.00 52.55 52.57 1n56 s ASP 326 Cb 0.19 -0.26 0.65 0.00 -1.46 0.00 0.00 42.92 42.04 1n56 s ASP 326 CO 0.40 -0.10 1.56 -1.84 0.52 0.00 0.00 175.17 175.71 1n56 n GLU 327 N 4.19 0.18 -2.03 4.34 0.28 -1.26 -4.63 120.64 121.71 1n56 n GLU 327 Ca -0.25 0.09 -0.32 0.00 -0.16 0.00 0.00 57.16 56.51 1n56 n GLU 327 Cb 0.50 -1.65 0.01 0.00 1.43 0.00 0.00 31.44 31.73 1n56 n GLU 327 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1n56 s ARG 328 N -3.09 3.34 0.59 3.44 0.52 -1.26 -5.05 118.95 117.44 1n56 s ARG 328 Ca 0.10 1.16 -0.12 0.00 -0.52 0.00 0.00 55.73 56.35 1n56 s ARG 328 Cb 0.15 -2.04 -0.05 0.00 0.52 0.00 0.00 34.95 33.53 1n56 s ARG 328 CO 0.65 -0.79 1.01 0.15 0.02 0.00 0.00 175.30 176.34 1n56 s LYS 329 N -4.17 3.65 -0.10 3.54 1.02 -1.26 -4.94 119.74 117.49 1n56 s LYS 329 Ca 0.63 0.75 -0.03 0.00 0.02 0.00 0.00 55.97 57.33 1n56 s LYS 329 Cb -0.15 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 1n56 s LYS 329 CO 0.38 -0.50 0.04 0.42 -0.92 0.00 0.00 175.35 174.78 1n56 s ILE 330 N -3.06 4.68 -0.09 2.17 1.01 0.38 -0.87 121.20 125.41 1n56 s ILE 330 Ca 0.55 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 61.13 1n56 s ILE 330 Cb -0.11 -2.99 -0.08 0.00 0.01 0.00 0.00 42.46 39.29 1n56 s ILE 330 CO 0.50 0.61 -0.03 -1.14 0.00 0.00 0.00 174.94 174.87 1n56 n ARG 331 N 2.12 1.43 -4.25 2.79 0.63 0.12 -1.49 116.66 118.01 1n56 n ARG 331 Ca -0.19 0.03 -0.19 0.00 -0.92 0.00 0.00 57.85 56.57 1n56 n ARG 331 Cb 0.54 -1.19 -0.16 0.00 0.45 0.00 0.00 32.46 32.10 1n56 n ARG 331 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1n56 s ARG 332 N -2.19 0.82 0.01 -0.14 0.52 -0.87 -1.30 118.95 115.79 1n56 s ARG 332 Ca -0.09 -0.19 0.04 0.00 -0.52 0.00 0.00 55.73 54.97 1n56 s ARG 332 Cb 0.03 -0.79 -0.01 0.00 0.52 0.00 0.00 34.95 34.70 1n56 s ARG 332 CO 0.26 0.02 -0.12 -1.50 0.02 0.00 0.00 175.30 173.98 1n56 s ILE 333 N 0.48 0.98 0.00 1.52 1.10 -0.66 0.58 121.20 125.20 1n56 s ILE 333 Ca -0.07 -0.66 0.00 0.00 -0.51 0.00 0.00 60.65 59.41 1n56 s ILE 333 Cb -0.10 -0.85 0.00 0.00 0.15 0.00 0.00 42.46 41.66 1n56 s ILE 333 CO 0.00 0.18 0.00 0.61 -2.11 0.00 0.00 174.94 173.62 1n56 n GLY 334 N 2.50 2.07 3.32 1.50 0.00 0.49 -1.51 105.19 113.57 1n56 n GLY 334 Ca -0.15 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 1n56 n GLY 334 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n56 s VAL 335 N -2.75 0.08 -0.08 1.61 0.11 -0.03 -1.44 120.40 117.90 1n56 s VAL 335 Ca 0.00 -0.95 -0.05 0.00 -2.93 0.00 0.00 61.98 58.05 1n56 s VAL 335 Cb 0.00 -1.42 0.03 0.00 -1.53 0.00 0.00 36.38 33.46 1n56 s VAL 335 CO 0.00 -0.38 0.20 -0.60 -3.33 0.00 0.00 175.10 170.99 1n56 s ARG 336 N -3.87 0.18 -0.10 1.54 3.52 0.16 -1.31 118.95 119.07 1n56 s ARG 336 Ca 0.07 0.38 -0.00 0.00 -0.13 0.00 0.00 55.73 56.05 1n56 s ARG 336 Cb 0.03 -0.05 -0.02 0.00 -1.56 0.00 0.00 34.95 33.34 1n56 s ARG 336 CO -0.08 -0.11 -0.09 -0.06 -0.81 0.00 0.00 175.30 174.16 1n56 s PHE 337 N 0.78 2.90 0.21 5.12 0.08 0.16 -0.62 117.98 126.61 1n56 s PHE 337 Ca -0.06 -0.25 0.03 0.00 0.12 0.00 0.00 56.93 56.77 1n56 s PHE 337 Cb -0.07 -1.80 -0.01 0.00 -0.57 0.00 0.00 43.02 40.57 1n56 s PHE 337 CO -0.04 0.08 0.21 -1.13 -0.10 0.00 0.00 175.22 174.24 1n56 n SER 338 N 2.91 -0.56 -3.32 1.36 3.41 -0.25 -0.81 113.62 116.36 1n56 n SER 338 Ca -0.18 -2.30 -0.12 0.00 -0.26 0.00 0.00 58.87 56.01 1n56 n SER 338 Cb 0.53 1.20 0.02 0.00 -0.26 0.00 0.00 64.21 65.70 1n56 n SER 338 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1n56 n LYS 339 N -0.38 -1.52 -2.48 4.33 5.02 -1.25 -1.77 118.16 120.11 1n56 n LYS 339 Ca 0.03 1.07 -0.35 0.00 -2.02 0.00 0.00 58.31 57.05 1n56 n LYS 339 Cb 0.37 -4.97 -0.03 0.00 -0.02 0.00 0.00 35.03 30.38 1n56 n LYS 339 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1n56 s PHE 340 N -3.16 2.99 -2.00 2.13 0.08 -1.26 -1.59 117.98 115.17 1n56 s PHE 340 Ca 0.18 1.58 0.23 0.00 0.12 0.00 0.00 56.93 59.05 1n56 s PHE 340 Cb -0.04 -3.14 1.38 0.00 -0.57 0.00 0.00 43.02 40.65 1n56 s PHE 340 CO 0.79 -0.96 1.75 -0.89 -0.10 0.00 0.00 175.22 175.82