#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n72 s SER 9 N 0.00 6.29 0.37 6.43 1.04 -1.26 -4.95 113.70 121.62 3n72 s SER 9 Ca 0.00 0.69 0.08 0.00 0.48 0.00 0.00 55.95 57.20 3n72 s SER 9 Cb 0.00 -2.14 0.81 0.00 0.10 0.00 0.00 66.02 64.80 3n72 s SER 9 CO 0.00 -0.42 1.94 1.23 0.98 0.00 0.00 173.24 176.98 3n72 h GLY 10 N 0.58 0.93 0.90 7.32 0.00 -2.06 0.02 103.07 110.76 3n72 h GLY 10 Ca -0.48 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 3n72 h GLY 10 CO 0.62 0.17 -0.01 -0.09 0.00 0.00 0.00 176.54 177.23 3n72 h ARG 11 N 0.67 -0.02 -0.83 4.80 2.43 -2.00 -1.86 114.38 117.58 3n72 h ARG 11 Ca 0.33 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.48 3n72 h ARG 11 Cb 0.41 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 3n72 h ARG 11 CO -0.12 0.09 0.43 0.93 -1.51 0.00 0.00 179.97 179.79 3n72 h GLU 12 N -0.13 1.17 -0.57 0.20 5.08 -1.82 -1.32 114.58 117.19 3n72 h GLU 12 Ca -0.00 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3n72 h GLU 12 Cb 0.12 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 3n72 h GLU 12 CO 0.00 0.87 0.35 -0.91 -1.00 0.00 0.00 179.01 178.33 3n72 h ASN 13 N 1.16 0.67 0.06 1.42 -0.26 -0.76 0.21 115.58 118.06 3n72 h ASN 13 Ca 0.29 -0.03 -0.16 0.00 -0.56 0.00 0.00 56.30 55.83 3n72 h ASN 13 Cb 0.06 -0.17 0.02 0.00 -1.06 0.00 0.00 38.32 37.17 3n72 h ASN 13 CO -0.04 0.51 -0.68 0.25 -1.06 0.00 0.00 177.43 176.41 3n72 h LEU 14 N 0.78 0.50 -0.11 1.61 5.85 -1.02 -3.40 115.31 119.52 3n72 h LEU 14 Ca 0.21 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 58.09 3n72 h LEU 14 Cb -0.05 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.83 3n72 h LEU 14 CO -0.04 1.28 -0.62 -1.22 -0.34 0.00 0.00 178.44 177.50 3n72 n TYR 15 N -4.19 0.00 -1.70 1.25 4.01 -0.53 -4.98 117.16 111.02 3n72 n TYR 15 Ca -0.12 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.20 3n72 n TYR 15 Cb 0.73 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.73 3n72 n TYR 15 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3n72 n PHE 16 N -1.18 2.70 1.43 -0.72 7.35 0.05 -4.87 117.46 122.21 3n72 n PHE 16 Ca 0.03 -0.07 0.14 0.00 -0.76 0.00 0.00 57.45 56.78 3n72 n PHE 16 Cb 0.23 -2.71 0.48 0.00 0.35 0.00 0.00 39.48 37.83 3n72 n PHE 16 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3n72 n GLN 17 N 4.89 1.47 0.00 -4.13 1.13 -1.26 -5.02 117.38 114.45 3n72 n GLN 17 Ca 0.17 -0.86 0.00 0.00 -1.94 0.00 0.00 57.00 54.37 3n72 n GLN 17 Cb 0.36 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.23 3n72 n GLN 17 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3n72 n GLY 18 N 1.22 2.19 3.44 1.08 0.00 -1.26 -4.91 105.19 106.94 3n72 n GLY 18 Ca 0.17 -2.00 -0.44 0.00 0.00 0.00 0.00 46.02 43.75 3n72 n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n72 s GLU 19 N -2.46 3.12 -0.03 1.61 2.12 -1.26 -4.53 118.70 117.27 3n72 s GLU 19 Ca 0.00 -0.93 -0.29 0.00 0.36 0.00 0.00 54.97 54.11 3n72 s GLU 19 Cb 0.00 -4.13 -0.03 0.00 0.26 0.00 0.00 34.13 30.24 3n72 s GLU 19 CO 0.00 -1.31 0.96 0.50 -0.54 0.00 0.00 175.26 174.88 3n72 s ARG 20 N 2.75 4.52 -0.09 4.30 3.52 -0.40 -4.88 118.95 128.67 3n72 s ARG 20 Ca 0.16 1.37 -0.13 0.00 -0.13 0.00 0.00 55.73 57.00 3n72 s ARG 20 Cb -0.20 -3.48 -0.05 0.00 -1.56 0.00 0.00 34.95 29.67 3n72 s ARG 20 CO 0.11 -0.10 0.32 1.21 -0.81 0.00 0.00 175.30 176.03 3n72 s ASN 21 N 1.02 6.59 -0.25 -2.12 3.84 -1.26 -0.79 114.94 121.96 3n72 s ASN 21 Ca 0.50 0.69 0.12 0.00 0.21 0.00 0.00 52.86 54.38 3n72 s ASN 21 Cb -0.20 -2.19 0.46 0.00 -0.55 0.00 0.00 41.25 38.77 3n72 s ASN 21 CO 0.25 0.24 1.18 -1.22 -2.79 0.00 0.00 177.10 174.76 3n72 n TYR 22 N 2.61 1.82 -0.02 0.43 4.01 0.33 -4.85 117.16 121.48 3n72 n TYR 22 Ca -0.14 -1.98 -0.10 0.00 -0.16 0.00 0.00 57.90 55.52 3n72 n TYR 22 Cb 0.53 -0.29 -0.04 0.00 -0.31 0.00 0.00 39.34 39.22 3n72 n TYR 22 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3n72 h ASN 23 N 1.98 0.13 -0.25 7.72 4.21 -1.95 0.27 115.58 127.70 3n72 h ASN 23 Ca 0.17 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.67 3n72 h ASN 23 Cb 1.41 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 38.58 3n72 h ASN 23 CO 0.48 0.10 0.11 0.50 -1.29 0.00 0.00 177.43 177.32 3n72 h LYS 24 N 0.17 0.36 -0.41 0.81 3.64 -1.95 -1.67 116.57 117.52 3n72 h LYS 24 Ca 0.06 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3n72 h LYS 24 Cb 0.00 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3n72 h LYS 24 CO -0.03 0.38 0.25 2.35 -2.27 0.00 0.00 179.45 180.13 3n72 h TRP 25 N 0.26 0.53 -0.34 1.91 7.01 -1.88 -1.51 115.95 121.93 3n72 h TRP 25 Ca 0.08 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.02 3n72 h TRP 25 Cb 0.15 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 3n72 h TRP 25 CO -0.02 0.36 -0.04 0.00 -2.79 0.00 0.00 178.44 175.96 3n72 h ALA 26 N 1.12 0.46 -0.23 2.65 0.00 -0.69 -0.48 119.26 122.10 3n72 h ALA 26 Ca 0.15 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3n72 h ALA 26 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3n72 h ALA 26 CO -0.03 0.26 0.13 0.93 0.00 0.00 0.00 179.25 180.54 3n72 h GLU 27 N 0.42 0.27 -0.55 0.00 5.08 -1.22 -2.06 114.58 116.51 3n72 h GLU 27 Ca 0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3n72 h GLU 27 Cb 0.51 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3n72 h GLU 27 CO 0.02 0.18 0.35 0.77 -1.00 0.00 0.00 179.01 179.33 3n72 h SER 28 N 0.28 0.64 -0.12 1.42 0.02 -1.12 -1.50 113.55 113.17 3n72 h SER 28 Ca 0.09 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3n72 h SER 28 Cb -0.01 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3n72 h SER 28 CO -0.04 0.49 0.02 0.22 -1.14 0.00 0.00 176.83 176.38 3n72 h TYR 29 N 0.74 0.04 -0.11 3.45 3.20 -0.97 0.13 116.97 123.45 3n72 h TYR 29 Ca 0.20 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 3n72 h TYR 29 Cb -0.05 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3n72 h TYR 29 CO -0.03 0.01 0.06 0.82 -1.64 0.00 0.00 178.16 177.38 3n72 h ILE 30 N 0.08 1.10 -0.31 1.81 2.04 -1.35 -1.48 117.51 119.40 3n72 h ILE 30 Ca 0.05 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3n72 h ILE 30 Cb 0.05 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3n72 h ILE 30 CO -0.07 0.09 0.17 0.11 0.00 0.00 0.00 178.15 178.45 3n72 h LYS 31 N 0.08 0.42 -0.25 2.37 1.57 -1.18 -1.59 116.57 117.99 3n72 h LYS 31 Ca 0.04 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3n72 h LYS 31 Cb 0.09 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3n72 h LYS 31 CO -0.01 0.35 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.28 3n72 h TYR 32 N 0.38 0.51 -0.26 -1.35 3.20 -0.69 -0.96 116.97 117.79 3n72 h TYR 32 Ca 0.11 -0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 3n72 h TYR 32 Cb 0.04 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3n72 h TYR 32 CO -0.03 0.64 -0.14 -0.91 -1.64 0.00 0.00 178.16 176.08 3n72 h ASN 33 N 0.23 0.58 0.02 -2.11 2.35 -1.24 -2.64 115.58 112.77 3n72 h ASN 33 Ca 0.07 -0.42 -0.13 0.00 -0.55 0.00 0.00 56.30 55.27 3n72 h ASN 33 Cb 0.45 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3n72 h ASN 33 CO 0.02 0.87 -0.42 -0.07 -1.65 0.00 0.00 177.43 176.17 3n72 h LEU 34 N 0.29 0.53 -0.40 1.61 3.38 -1.32 -2.62 115.31 116.78 3n72 h LEU 34 Ca 0.06 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3n72 h LEU 34 Cb 0.65 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3n72 h LEU 34 CO 0.04 0.89 0.00 -1.54 0.09 0.00 0.00 178.44 177.92 3n72 n SER 35 N -4.02 0.46 -0.52 -0.43 3.41 -0.37 -2.41 113.62 109.75 3n72 n SER 35 Ca -0.02 0.60 0.05 0.00 -0.26 0.00 0.00 58.87 59.25 3n72 n SER 35 Cb 0.52 -0.71 0.09 0.00 -0.26 0.00 0.00 64.21 63.85 3n72 n SER 35 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3n72 n ASN 36 N -2.00 2.34 -4.70 4.04 4.13 -1.00 -4.83 115.26 113.25 3n72 n ASN 36 Ca 0.03 -1.69 -0.40 0.00 1.68 0.00 0.00 54.58 54.20 3n72 n ASN 36 Cb 0.24 -0.10 -0.05 0.00 -1.54 0.00 0.00 39.78 38.33 3n72 n ASN 36 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3n72 s LEU 37 N -0.95 4.25 0.09 3.41 2.96 -1.01 -5.06 118.68 122.38 3n72 s LEU 37 Ca 0.17 1.09 0.06 0.00 -0.22 0.00 0.00 54.13 55.23 3n72 s LEU 37 Cb 0.10 -3.04 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 3n72 s LEU 37 CO 0.14 -0.19 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.29 3n72 s LYS 38 N 1.25 0.96 -0.27 1.98 1.02 -1.26 -4.03 119.74 119.38 3n72 s LYS 38 Ca 0.35 -1.09 0.03 0.00 0.02 0.00 0.00 55.97 55.28 3n72 s LYS 38 Cb -0.17 -1.00 0.06 0.00 -0.52 0.00 0.00 37.83 36.21 3n72 s LYS 38 CO 0.15 0.22 -0.09 0.42 -0.92 0.00 0.00 175.35 175.13 3n72 s ILE 39 N -1.47 2.20 -0.09 2.17 1.01 -0.16 -4.95 121.20 119.90 3n72 s ILE 39 Ca 0.03 -1.73 0.01 0.00 0.00 0.00 0.00 60.65 58.97 3n72 s ILE 39 Cb -0.09 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 40.06 3n72 s ILE 39 CO 0.03 -0.10 -0.11 -1.61 0.00 0.00 0.00 174.94 173.15 3n72 s GLU 40 N 1.08 1.71 -0.17 2.79 0.41 -1.26 -0.24 118.70 123.03 3n72 s GLU 40 Ca -0.06 -0.37 -0.00 0.00 -0.41 0.00 0.00 54.97 54.12 3n72 s GLU 40 Cb -0.20 -1.55 0.04 0.00 -1.78 0.00 0.00 34.13 30.64 3n72 s GLU 40 CO -0.05 -0.10 -0.06 0.95 -0.49 0.00 0.00 175.26 175.50 3n72 s THR 45 N 1.12 1.17 -0.18 3.63 -4.23 -1.26 -5.26 115.64 110.63 3n72 s THR 45 Ca -0.06 -0.68 -0.06 0.00 -1.18 0.00 0.00 61.69 59.71 3n72 s THR 45 Cb -0.14 -1.34 -0.03 0.00 1.34 0.00 0.00 72.50 72.32 3n72 s THR 45 CO -0.02 0.13 0.03 -0.63 -0.54 0.00 0.00 174.62 173.59 3n72 s ILE 46 N 1.60 4.43 0.33 2.99 1.01 0.67 -2.03 121.20 130.20 3n72 s ILE 46 Ca 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 60.65 60.57 3n72 s ILE 46 Cb -0.15 -2.99 -0.06 0.00 0.01 0.00 0.00 42.46 39.26 3n72 s ILE 46 CO -0.08 0.46 -0.05 -0.31 0.00 0.00 0.00 174.94 174.96 3n72 s TYR 47 N 0.53 2.21 -0.03 3.97 2.02 0.15 -0.99 117.35 125.21 3n72 s TYR 47 Ca 0.01 -0.65 0.04 0.00 -0.37 0.00 0.00 57.07 56.10 3n72 s TYR 47 Cb -0.13 -1.34 -0.01 0.00 -0.40 0.00 0.00 41.96 40.08 3n72 s TYR 47 CO 0.02 0.39 -0.15 -0.06 -1.57 0.00 0.00 175.55 174.18 3n72 s PHE 48 N -2.85 1.42 0.27 2.71 0.08 -1.26 -0.28 117.98 118.07 3n72 s PHE 48 Ca 0.32 -0.34 -0.09 0.00 0.12 0.00 0.00 56.93 56.95 3n72 s PHE 48 Cb 0.05 -0.94 -0.01 0.00 -0.57 0.00 0.00 43.02 41.55 3n72 s PHE 48 CO 0.15 -0.09 0.43 0.34 -0.10 0.00 0.00 175.22 175.96 3n72 s ASP 49 N -0.12 0.18 -0.94 1.36 2.15 -0.13 -4.58 116.67 114.60 3n72 s ASP 49 Ca 0.01 -1.14 -0.01 0.00 0.43 0.00 0.00 52.55 51.85 3n72 s ASP 49 Cb -0.08 0.58 -0.01 0.00 -0.30 0.00 0.00 42.92 43.11 3n72 s ASP 49 CO 0.01 -1.15 0.79 0.59 -0.17 0.00 0.00 175.17 175.23 3n72 n ASN 50 N -0.64 -2.52 -4.71 -0.34 5.03 -1.26 -0.01 115.26 110.81 3n72 n ASN 50 Ca -0.01 -0.50 -0.41 0.00 0.87 0.00 0.00 54.58 54.53 3n72 n ASN 50 Cb 0.62 -4.19 -0.04 0.00 -1.02 0.00 0.00 39.78 35.15 3n72 n ASN 50 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3n72 s LEU 51 N -5.39 4.33 -0.12 3.41 1.02 -1.26 -4.05 118.68 116.62 3n72 s LEU 51 Ca 0.05 1.48 0.01 0.00 0.02 0.00 0.00 54.13 55.69 3n72 s LEU 51 Cb -0.01 -3.41 0.02 0.00 0.02 0.00 0.00 46.19 42.81 3n72 s LEU 51 CO 0.58 -0.24 -0.14 -1.10 0.02 0.00 0.00 176.35 175.47 3n72 s GLN 52 N 1.11 2.16 -0.15 1.70 -0.21 0.13 -5.01 119.66 119.39 3n72 s GLN 52 Ca 0.47 -0.53 -0.00 0.00 0.02 0.00 0.00 55.36 55.31 3n72 s GLN 52 Cb -0.20 -1.90 0.03 0.00 1.00 0.00 0.00 33.01 31.95 3n72 s GLN 52 CO 0.23 -0.12 -0.08 0.08 -2.12 0.00 0.00 175.29 173.29 3n72 s VAL 53 N 1.15 1.22 -0.17 1.09 1.01 -1.26 -0.51 120.40 122.92 3n72 s VAL 53 Ca -0.03 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3n72 s VAL 53 Cb -0.14 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 35.00 3n72 s VAL 53 CO -0.04 0.27 -0.08 -0.55 0.00 0.00 0.00 175.10 174.70 3n72 s SER 54 N 1.61 2.99 0.00 3.32 0.15 -0.35 -4.96 113.70 116.46 3n72 s SER 54 Ca 0.03 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.96 3n72 s SER 54 Cb -0.14 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 3n72 s SER 54 CO -0.08 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.81 3n72 n GLY 55 N 4.80 -0.52 3.21 9.45 0.00 -1.26 -0.38 105.19 120.49 3n72 n GLY 55 Ca -0.13 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 3n72 n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3n72 s ASN 56 N -4.00 -0.16 -0.04 1.61 0.01 -0.53 -4.99 114.94 106.84 3n72 s ASN 56 Ca 0.00 0.07 -0.03 0.00 -0.71 0.00 0.00 52.86 52.19 3n72 s ASN 56 Cb 0.00 0.32 0.01 0.00 0.41 0.00 0.00 41.25 41.99 3n72 s ASN 56 CO 0.00 -0.40 0.10 0.00 -1.51 0.00 0.00 177.10 175.29 3n72 s ALA 57 N -1.21 -0.24 0.14 0.60 0.00 -1.26 -1.43 121.76 118.37 3n72 s ALA 57 Ca -0.13 0.31 -0.09 0.00 0.00 0.00 0.00 51.96 52.05 3n72 s ALA 57 Cb -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 3n72 s ALA 57 CO 0.03 -0.06 0.26 0.00 0.00 0.00 0.00 175.76 176.00 3n72 s VAL 59 N -3.94 -0.03 0.18 0.00 1.01 0.03 -1.92 120.40 115.73 3n72 s VAL 59 Ca 0.14 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.30 3n72 s VAL 59 Cb 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 36.32 3n72 s VAL 59 CO -0.03 0.05 -0.14 -0.44 0.00 0.00 0.00 175.10 174.54 3n72 s SER 60 N 0.57 2.34 -0.26 3.32 0.01 0.55 -1.28 113.70 118.96 3n72 s SER 60 Ca -0.05 -0.98 -0.08 0.00 1.31 0.00 0.00 55.95 56.15 3n72 s SER 60 Cb -0.07 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 3n72 s SER 60 CO -0.02 -0.19 0.10 -0.63 0.41 0.00 0.00 173.24 172.91 3n72 s ILE 61 N -2.85 4.53 -0.06 1.44 -1.09 -1.26 -0.81 121.20 121.10 3n72 s ILE 61 Ca 0.19 -0.11 -0.10 0.00 -2.23 0.00 0.00 60.65 58.39 3n72 s ILE 61 Cb -0.01 -3.14 0.02 0.00 -1.58 0.00 0.00 42.46 37.75 3n72 s ILE 61 CO 0.05 0.31 0.26 -0.60 -1.23 0.00 0.00 174.94 173.73 3n72 s ARG 62 N 1.65 0.44 -1.83 2.79 3.52 -0.84 -4.76 118.95 119.91 3n72 s ARG 62 Ca 0.06 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 3n72 s ARG 62 Cb -0.15 0.20 0.00 0.00 -1.56 0.00 0.00 34.95 33.44 3n72 s ARG 62 CO 0.05 -0.09 0.00 1.63 -0.81 0.00 0.00 175.30 176.08 3n72 n LYS 63 N 2.24 -1.44 -1.12 5.12 5.02 -1.26 -1.43 118.16 125.29 3n72 n LYS 63 Ca -0.17 1.04 -0.02 0.00 -2.02 0.00 0.00 58.31 57.14 3n72 n LYS 63 Cb 0.57 -5.50 -0.01 0.00 -0.02 0.00 0.00 35.03 30.07 3n72 n LYS 63 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3n72 n GLY 64 N -0.83 0.54 3.24 0.72 0.00 -1.26 -5.04 105.19 102.56 3n72 n GLY 64 Ca -0.21 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 3n72 n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n72 s LYS 65 N -2.30 0.93 0.02 1.61 -2.85 -0.51 -5.13 119.74 111.51 3n72 s LYS 65 Ca 0.00 -0.95 -0.30 0.00 -1.00 0.00 0.00 55.97 53.71 3n72 s LYS 65 Cb 0.00 0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 36.09 3n72 s LYS 65 CO 0.00 -0.31 1.15 -0.65 0.10 0.00 0.00 175.35 175.63 3n72 s GLN 66 N -3.87 4.45 -0.09 1.78 -0.21 -1.26 -1.99 119.66 118.46 3n72 s GLN 66 Ca 0.06 1.67 0.04 0.00 0.02 0.00 0.00 55.36 57.15 3n72 s GLN 66 Cb 0.04 -3.41 -0.01 0.00 1.00 0.00 0.00 33.01 30.63 3n72 s GLN 66 CO -0.10 -0.24 -0.22 0.42 -2.12 0.00 0.00 175.29 173.03 3n72 s ILE 67 N 1.26 2.24 0.16 1.08 -1.09 0.01 -4.98 121.20 119.89 3n72 s ILE 67 Ca 0.56 -0.97 0.07 0.00 -2.23 0.00 0.00 60.65 58.09 3n72 s ILE 67 Cb -0.26 -1.86 -0.04 0.00 -1.58 0.00 0.00 42.46 38.72 3n72 s ILE 67 CO 0.27 0.56 -0.16 0.54 -1.23 0.00 0.00 174.94 174.92 3n72 s ASN 68 N 0.19 2.42 0.00 3.58 2.20 -1.26 -0.33 114.94 121.75 3n72 s ASN 68 Ca -0.13 -0.87 -0.11 0.00 -0.94 0.00 0.00 52.86 50.80 3n72 s ASN 68 Cb -0.16 -0.12 0.01 0.00 -2.00 0.00 0.00 41.25 38.98 3n72 s ASN 68 CO 0.07 -0.10 0.23 -0.94 -2.94 0.00 0.00 177.10 173.43 3n72 s SER 69 N -2.70 -0.08 0.01 3.54 1.04 -0.81 -5.01 113.70 109.69 3n72 s SER 69 Ca 0.15 -0.10 -0.24 0.00 0.48 0.00 0.00 55.95 56.23 3n72 s SER 69 Cb -0.04 0.27 0.05 0.00 0.10 0.00 0.00 66.02 66.40 3n72 s SER 69 CO 0.05 -0.45 0.55 0.72 0.98 0.00 0.00 173.24 175.09 3n72 s PHE 70 N -1.60 -0.47 -0.21 5.02 -0.12 -1.26 -0.83 117.98 118.50 3n72 s PHE 70 Ca -0.12 0.67 -0.06 0.00 -0.05 0.00 0.00 56.93 57.36 3n72 s PHE 70 Cb -0.05 0.33 0.10 0.00 -0.63 0.00 0.00 43.02 42.77 3n72 s PHE 70 CO 0.02 -0.60 0.41 -1.21 -0.05 0.00 0.00 175.22 173.79 3n72 s GLU 71 N -1.88 0.33 0.00 1.99 8.01 -0.51 -1.30 118.70 125.34 3n72 s GLU 71 Ca -0.08 0.95 0.01 0.00 0.01 0.00 0.00 54.97 55.86 3n72 s GLU 71 Cb -0.01 0.20 -0.00 0.00 -4.31 0.00 0.00 34.13 30.01 3n72 s GLU 71 CO 0.03 -0.32 -0.03 0.71 0.01 0.00 0.00 175.26 175.65 3n72 s TYR 72 N 2.60 0.31 -0.15 1.61 2.02 -0.51 -1.46 117.35 121.78 3n72 s TYR 72 Ca 0.01 -0.09 -0.07 0.00 -0.37 0.00 0.00 57.07 56.55 3n72 s TYR 72 Cb -0.13 -0.20 -0.04 0.00 -0.40 0.00 0.00 41.96 41.19 3n72 s TYR 72 CO -0.13 -0.01 0.09 0.42 -1.57 0.00 0.00 175.55 174.34 3n72 s ILE 73 N -0.18 5.08 -0.13 2.71 1.01 0.49 -1.43 121.20 128.74 3n72 s ILE 73 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.72 3n72 s ILE 73 Cb -0.02 -3.24 0.02 0.00 0.01 0.00 0.00 42.46 39.22 3n72 s ILE 73 CO -0.00 0.54 -0.17 -0.63 0.00 0.00 0.00 174.94 174.68 3n72 s ILE 74 N -0.34 1.69 -0.03 2.92 1.01 -0.23 -1.21 121.20 125.02 3n72 s ILE 74 Ca 0.10 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 60.06 3n72 s ILE 74 Cb -0.12 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 3n72 s ILE 74 CO 0.01 0.48 -0.20 -0.54 0.00 0.00 0.00 174.94 174.70 3n72 s LYS 75 N 1.10 1.73 0.33 2.79 1.02 0.33 0.20 119.74 127.25 3n72 s LYS 75 Ca -0.03 -0.70 -0.13 0.00 0.02 0.00 0.00 55.97 55.13 3n72 s LYS 75 Cb -0.14 -1.60 0.03 0.00 -0.52 0.00 0.00 37.83 35.59 3n72 s LYS 75 CO -0.05 0.37 0.65 -0.59 -0.92 0.00 0.00 175.35 174.81 3n72 s PHE 76 N -0.30 0.32 0.18 3.18 -0.12 -0.15 0.18 117.98 121.27 3n72 s PHE 76 Ca 0.04 -0.80 0.10 0.00 -0.05 0.00 0.00 56.93 56.21 3n72 s PHE 76 Cb -0.09 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 3n72 s PHE 76 CO 0.00 -1.31 -0.15 -1.21 -0.05 0.00 0.00 175.22 172.51 3n72 s GLU 77 N -3.07 1.87 -0.03 1.99 2.02 0.98 0.83 118.70 123.30 3n72 s GLU 77 Ca 0.19 -1.34 0.02 0.00 0.02 0.00 0.00 54.97 53.86 3n72 s GLU 77 Cb -0.03 -2.06 -0.03 0.00 0.10 0.00 0.00 34.13 32.10 3n72 s GLU 77 CO 0.12 0.43 -0.06 1.67 0.02 0.00 0.00 175.26 177.44 3n72 s TRP 78 N -1.65 2.92 0.02 1.61 1.48 0.03 -0.95 118.94 122.40 3n72 s TRP 78 Ca 0.23 -0.01 0.04 0.00 -1.06 0.00 0.00 56.10 55.31 3n72 s TRP 78 Cb -0.09 -1.65 -0.02 0.00 -1.16 0.00 0.00 33.47 30.55 3n72 s TRP 78 CO 0.13 0.36 -0.13 -0.51 -4.06 0.00 0.00 176.95 172.74 3n72 s LEU 79 N -1.18 2.11 -0.12 -4.66 1.43 0.62 -1.75 118.68 115.12 3n72 s LEU 79 Ca 0.15 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.87 3n72 s LEU 79 Cb -0.11 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.48 3n72 s LEU 79 CO 0.05 0.07 -0.05 -0.72 0.23 0.00 0.00 176.35 175.93 3n72 s TYR 80 N -0.63 2.99 0.05 0.29 -0.85 -1.26 0.33 117.35 118.26 3n72 s TYR 80 Ca 0.03 -0.21 -0.10 0.00 -0.52 0.00 0.00 57.07 56.27 3n72 s TYR 80 Cb -0.07 -1.86 0.00 0.00 0.38 0.00 0.00 41.96 40.42 3n72 s TYR 80 CO 0.00 0.09 0.20 -1.12 -1.52 0.00 0.00 175.55 173.21 3n72 s SER 81 N -0.07 0.04 0.00 -0.18 0.01 -0.86 -4.71 113.70 107.94 3n72 s SER 81 Ca 0.01 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.85 3n72 s SER 81 Cb -0.13 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.40 3n72 s SER 81 CO 0.03 -0.60 0.00 0.00 0.41 0.00 0.00 173.24 173.07 3n72 n TYR 89 N 0.50 0.00 -2.20 2.43 -0.00 -1.26 -4.59 117.16 112.04 3n72 n TYR 89 Ca -0.18 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.30 3n72 n TYR 89 Cb 0.60 -0.28 -0.03 0.00 -0.00 0.00 0.00 39.34 39.63 3n72 n TYR 89 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.86 176.98 3n72 s PHE 90 N -0.35 2.89 -0.19 2.98 2.19 -1.26 -4.52 117.98 119.71 3n72 s PHE 90 Ca 0.00 0.81 0.08 0.00 0.33 0.00 0.00 56.93 58.16 3n72 s PHE 90 Cb 0.00 -3.68 -0.17 0.00 -1.31 0.00 0.00 43.02 37.86 3n72 s PHE 90 CO 0.00 -2.50 -0.06 0.41 1.83 0.00 0.00 175.22 174.90 3n72 n GLY 91 N 3.64 -0.57 0.00 13.12 0.00 -0.72 -4.88 105.19 115.78 3n72 n GLY 91 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3n72 n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n72 n GLY 92 N 2.22 0.33 3.29 -0.02 0.00 -0.82 -4.70 105.19 105.49 3n72 n GLY 92 Ca -0.32 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.08 3n72 n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3n72 s SER 93 N -4.00 2.39 -0.01 1.61 1.04 -0.74 -0.79 113.70 113.21 3n72 s SER 93 Ca 0.00 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.66 3n72 s SER 93 Cb 0.00 -0.12 -0.00 0.00 0.10 0.00 0.00 66.02 66.00 3n72 s SER 93 CO 0.00 -0.05 -0.07 -0.69 0.98 0.00 0.00 173.24 173.40 3n72 s VAL 94 N -1.85 0.61 -0.04 5.02 1.01 0.24 -0.31 120.40 125.08 3n72 s VAL 94 Ca 0.11 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3n72 s VAL 94 Cb -0.07 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.79 3n72 s VAL 94 CO 0.05 0.18 -0.13 -0.70 0.00 0.00 0.00 175.10 174.50 3n72 s GLU 95 N -0.08 1.39 -0.42 2.72 2.12 0.41 -0.98 118.70 123.85 3n72 s GLU 95 Ca 0.02 -0.46 -0.06 0.00 0.36 0.00 0.00 54.97 54.83 3n72 s GLU 95 Cb -0.04 -1.24 0.10 0.00 0.26 0.00 0.00 34.13 33.22 3n72 s GLU 95 CO -0.00 0.18 0.25 0.42 -0.54 0.00 0.00 175.26 175.56 3n72 s ILE 96 N 0.13 3.76 0.21 -3.70 1.01 0.13 -0.18 121.20 122.55 3n72 s ILE 96 Ca -0.04 -1.78 0.14 0.00 0.00 0.00 0.00 60.65 58.97 3n72 s ILE 96 Cb -0.10 -3.45 0.03 0.00 0.01 0.00 0.00 42.46 38.94 3n72 s ILE 96 CO 0.01 -0.64 1.63 1.55 0.00 0.00 0.00 174.94 177.50 3n72 h PRO 97 N 8.25 0.00 -1.95 2.79 0.13 -1.82 -0.60 132.00 138.80 3n72 h PRO 97 Ca -0.18 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.49 3n72 h PRO 97 Cb 1.06 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.88 3n72 h PRO 97 CO 0.75 0.54 -0.84 -3.47 -0.23 0.00 0.00 178.00 174.75 3n72 n ASP 98 N -3.65 -1.34 -4.39 1.44 2.03 -1.25 -4.40 116.55 104.99 3n72 n ASP 98 Ca -0.01 -2.54 -0.44 0.00 0.52 0.00 0.00 54.79 52.32 3n72 n ASP 98 Cb 0.60 0.12 -0.04 0.00 -0.72 0.00 0.00 41.12 41.08 3n72 n ASP 98 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3n72 s PHE 99 N 0.27 2.91 0.37 -0.67 5.36 -0.52 -4.82 117.98 120.88 3n72 s PHE 99 Ca 0.32 -0.86 0.05 0.00 -0.96 0.00 0.00 56.93 55.48 3n72 s PHE 99 Cb 0.03 -4.09 -0.03 0.00 -0.34 0.00 0.00 43.02 38.60 3n72 s PHE 99 CO -0.16 -1.39 0.19 -1.54 -1.46 0.00 0.00 175.22 170.87 3n72 s SER 100 N 3.65 2.19 0.25 6.13 1.04 -1.26 -1.43 113.70 124.27 3n72 s SER 100 Ca 0.14 -1.70 -0.10 0.00 0.48 0.00 0.00 55.95 54.77 3n72 s SER 100 Cb -0.22 0.53 0.37 0.00 0.10 0.00 0.00 66.02 66.80 3n72 s SER 100 CO 0.07 -0.99 1.48 0.41 0.98 0.00 0.00 173.24 175.19 3n72 n THR 101 N -0.76 -0.43 -0.04 2.02 -1.04 -0.42 -0.21 114.28 113.40 3n72 n THR 101 Ca 0.00 2.19 0.11 0.00 -2.04 0.00 0.00 64.05 64.31 3n72 n THR 101 Cb 0.64 -2.99 0.29 0.00 -1.82 0.00 0.00 70.33 66.45 3n72 n THR 101 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3n72 n PHE 102 N -5.50 0.80 0.22 -1.42 3.72 -1.26 -4.47 117.46 109.55 3n72 n PHE 102 Ca 0.14 -0.40 0.05 0.00 -0.05 0.00 0.00 57.45 57.19 3n72 n PHE 102 Cb 0.45 0.00 0.49 0.00 -0.94 0.00 0.00 39.48 39.48 3n72 n PHE 102 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3n72 h SER 103 N 4.14 0.00 0.14 4.37 0.02 -0.95 -2.94 113.55 118.33 3n72 h SER 103 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3n72 h SER 103 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3n72 h SER 103 CO 0.00 0.20 -0.16 0.18 -1.14 0.00 0.00 176.83 175.90 3n72 n LEU 104 N -4.30 1.24 -0.03 5.07 4.77 -1.26 -1.37 117.00 121.12 3n72 n LEU 104 Ca -0.02 -0.36 -0.10 0.00 -0.03 0.00 0.00 56.01 55.49 3n72 n LEU 104 Cb 0.26 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3n72 n LEU 104 CO 0.37 0.22 0.93 -0.33 -1.33 0.00 0.00 177.39 177.25 3n72 h GLU 105 N 1.69 0.21 -0.00 3.23 4.39 -1.83 -3.34 114.58 118.92 3n72 h GLU 105 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3n72 h GLU 105 Cb 0.51 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3n72 h GLU 105 CO 0.00 0.14 -0.01 0.39 -1.16 0.00 0.00 179.01 178.38 3n72 n GLU 106 N -4.98 0.17 -3.93 2.33 1.02 -1.25 -5.01 120.64 108.99 3n72 n GLU 106 Ca -0.04 -0.50 -0.28 0.00 -0.02 0.00 0.00 57.16 56.32 3n72 n GLU 106 Cb 0.03 -0.96 0.01 0.00 -0.02 0.00 0.00 31.44 30.49 3n72 n GLU 106 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3n72 n ASN 107 N -0.07 -2.41 -1.36 1.62 3.02 -0.47 -4.88 115.26 110.71 3n72 n ASN 107 Ca 0.01 -0.89 -0.10 0.00 -0.03 0.00 0.00 54.58 53.57 3n72 n ASN 107 Cb 0.03 -3.51 0.11 0.00 -0.61 0.00 0.00 39.78 35.80 3n72 n ASN 107 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3n72 n ASP 108 N -2.90 3.37 -4.89 6.41 5.75 -1.21 -5.00 116.55 118.08 3n72 n ASP 108 Ca -0.13 -3.80 -0.29 0.00 -0.01 0.00 0.00 54.79 50.56 3n72 n ASP 108 Cb 0.60 -0.43 -0.02 0.00 -1.03 0.00 0.00 41.12 40.25 3n72 n ASP 108 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 3n72 s TYR 109 N -3.41 3.52 0.33 2.11 -0.85 -1.26 -5.07 117.35 112.71 3n72 s TYR 109 Ca 0.45 0.88 -0.22 0.00 -0.52 0.00 0.00 57.07 57.65 3n72 s TYR 109 Cb 0.39 -2.33 -0.10 0.00 0.38 0.00 0.00 41.96 40.30 3n72 s TYR 109 CO -0.01 -0.16 0.87 0.00 -1.52 0.00 0.00 175.55 174.73 3n72 s ALA 110 N -2.53 3.23 -0.10 9.51 0.00 -1.26 -5.07 121.76 125.54 3n72 s ALA 110 Ca 0.48 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.82 3n72 s ALA 110 Cb -0.10 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 19.99 3n72 s ALA 110 CO 0.38 0.22 -0.13 0.42 0.00 0.00 0.00 175.76 176.65 3n72 s ILE 111 N -1.78 1.33 -0.34 0.00 1.01 -1.26 -4.18 121.20 115.99 3n72 s ILE 111 Ca 0.52 -0.54 -0.12 0.00 0.00 0.00 0.00 60.65 60.51 3n72 s ILE 111 Cb -0.15 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 3n72 s ILE 111 CO 0.20 0.41 0.23 0.20 0.00 0.00 0.00 174.94 175.97 3n72 s ASN 112 N 1.06 5.93 -0.16 3.58 0.01 0.74 -4.98 114.94 121.13 3n72 s ASN 112 Ca -0.06 -0.53 -0.03 0.00 -0.71 0.00 0.00 52.86 51.52 3n72 s ASN 112 Cb -0.15 -2.10 -0.02 0.00 0.41 0.00 0.00 41.25 39.39 3n72 s ASN 112 CO -0.02 -0.26 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.64 3n72 s ILE 113 N 1.68 3.78 0.18 0.60 1.01 -1.26 -0.45 121.20 126.75 3n72 s ILE 113 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.31 3n72 s ILE 113 Cb -0.18 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.64 3n72 s ILE 113 CO 0.09 0.49 0.02 -0.62 0.00 0.00 0.00 174.94 174.92 3n72 n GLU 114 N 3.64 1.52 0.00 2.79 -0.58 0.57 -5.01 120.64 123.57 3n72 n GLU 114 Ca -0.17 -1.27 0.00 0.00 -0.42 0.00 0.00 57.16 55.30 3n72 n GLU 114 Cb 0.52 0.31 0.00 0.00 -0.57 0.00 0.00 31.44 31.70 3n72 n GLU 114 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3n72 n ASP 117 N -1.24 0.00 -0.22 1.62 10.43 -1.26 -1.79 116.55 124.08 3n72 n ASP 117 Ca -0.06 0.00 0.14 0.00 2.57 0.00 0.00 54.79 57.43 3n72 n ASP 117 Cb 0.22 0.00 0.50 0.00 1.84 0.00 0.00 41.12 43.68 3n72 n ASP 117 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 3n72 n GLU 118 N 0.00 0.89 -2.03 -1.24 4.07 -1.26 -4.52 120.64 116.55 3n72 n GLU 118 Ca 0.00 -0.44 -0.30 0.00 -0.06 0.00 0.00 57.16 56.35 3n72 n GLU 118 Cb 0.00 -1.49 0.01 0.00 -0.06 0.00 0.00 31.44 29.90 3n72 n GLU 118 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3n72 s SER 119 N -2.41 6.23 0.35 4.31 0.01 -1.26 -4.97 113.70 115.96 3n72 s SER 119 Ca 0.28 1.32 0.12 0.00 1.31 0.00 0.00 55.95 58.98 3n72 s SER 119 Cb 0.20 -2.42 0.64 0.00 0.21 0.00 0.00 66.02 64.65 3n72 s SER 119 CO 0.48 -0.81 1.78 -0.08 0.41 0.00 0.00 173.24 175.01 3n72 h GLU 120 N -0.21 0.00 0.53 12.44 4.57 -1.99 -2.44 114.58 127.48 3n72 h GLU 120 Ca -0.45 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.71 3n72 h GLU 120 Cb 1.19 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 3n72 h GLU 120 CO 0.62 0.43 -0.34 -0.91 -1.18 0.00 0.00 179.01 177.63 3n72 h ASN 121 N 0.00 -0.85 -0.08 1.04 4.21 -1.97 -2.26 115.58 115.68 3n72 h ASN 121 Ca -0.00 0.05 -0.05 0.00 1.21 0.00 0.00 56.30 57.51 3n72 h ASN 121 Cb 0.75 0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 38.19 3n72 h ASN 121 CO 0.06 -0.52 -0.07 -0.07 -1.29 0.00 0.00 177.43 175.53 3n72 h LEU 122 N -0.82 0.32 -0.19 1.61 3.38 -1.85 -2.96 115.31 114.80 3n72 h LEU 122 Ca -0.06 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3n72 h LEU 122 Cb 0.68 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3n72 h LEU 122 CO 0.06 0.43 0.05 -0.09 0.09 0.00 0.00 178.44 178.97 3n72 h ARG 123 N 0.33 0.31 -0.18 1.13 2.43 -1.35 -1.63 114.38 115.42 3n72 h ARG 123 Ca 0.07 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3n72 h ARG 123 Cb 0.34 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3n72 h ARG 123 CO 0.02 0.44 -0.01 0.35 -1.51 0.00 0.00 179.97 179.26 3n72 h PHE 124 N 0.12 0.35 -0.68 2.20 3.57 -1.25 -0.91 116.94 120.33 3n72 h PHE 124 Ca 0.06 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3n72 h PHE 124 Cb 0.27 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 3n72 h PHE 124 CO 0.01 0.53 0.40 0.82 -2.23 0.00 0.00 178.31 177.84 3n72 h ILE 125 N 0.06 1.02 -0.37 1.41 2.04 -1.60 0.58 117.51 120.65 3n72 h ILE 125 Ca 0.05 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.67 3n72 h ILE 125 Cb 0.40 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3n72 h ILE 125 CO 0.01 0.14 0.21 0.22 0.00 0.00 0.00 178.15 178.73 3n72 h TYR 126 N 0.75 0.39 -0.14 1.37 3.20 -1.11 0.61 116.97 122.04 3n72 h TYR 126 Ca 0.29 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.99 3n72 h TYR 126 Cb 0.13 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 3n72 h TYR 126 CO -0.06 0.22 -0.68 -0.44 -1.64 0.00 0.00 178.16 175.56 3n72 h ASP 127 N 0.42 0.66 0.76 -2.11 3.32 -0.65 -0.38 116.42 118.45 3n72 h ASP 127 Ca 0.15 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3n72 h ASP 127 Cb 0.02 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3n72 h ASP 127 CO -0.08 1.15 -0.94 -1.54 -1.72 0.00 0.00 179.24 176.11 3n72 n SER 128 N -3.91 0.70 0.05 6.45 3.41 0.20 -4.68 113.62 115.85 3n72 n SER 128 Ca -0.05 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3n72 n SER 128 Cb 0.68 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 3n72 n SER 128 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3n72 n ILE 129 N -2.30 0.15 -0.31 -1.33 5.41 0.15 -4.88 119.36 116.25 3n72 n ILE 129 Ca 0.01 0.05 -0.04 0.00 1.00 0.00 0.00 62.75 63.77 3n72 n ILE 129 Cb 0.49 -0.52 0.08 0.00 -0.71 0.00 0.00 39.64 38.98 3n72 n ILE 129 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3n72 h LEU 130 N 0.00 1.04 -0.76 1.39 3.38 -1.24 -0.27 115.31 118.84 3n72 h LEU 130 Ca 0.00 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 57.98 3n72 h LEU 130 Cb 0.00 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.42 3n72 h LEU 130 CO 0.00 0.82 0.42 0.50 0.09 0.00 0.00 178.44 180.27 3n72 h LYS 131 N 1.17 0.70 0.00 1.13 3.64 -1.33 -2.05 116.57 119.83 3n72 h LYS 131 Ca 0.30 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3n72 h LYS 131 Cb -0.01 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 3n72 h LYS 131 CO -0.05 0.46 -0.22 1.63 -2.27 0.00 0.00 179.45 179.00 3n72 n LYS 132 N -4.78 0.12 -0.21 1.90 4.01 -1.08 -4.51 118.16 113.61 3n72 n LYS 132 Ca 0.12 0.05 -0.05 0.00 -0.51 0.00 0.00 58.31 57.92 3n72 n LYS 132 Cb 0.26 -0.57 0.12 0.00 -0.51 0.00 0.00 35.03 34.33 3n72 n LYS 132 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 3n72 h GLU 133 N -0.22 1.01 0.21 1.97 4.81 -1.35 -0.58 114.58 120.42 3n72 h GLU 133 Ca 0.00 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 3n72 h GLU 133 Cb 0.22 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 3n72 h GLU 133 CO 0.00 0.87 -0.13 0.78 -0.73 0.00 0.00 179.01 179.80 3n72 h GLY 134 N 1.06 -0.33 1.46 1.92 0.00 -0.95 -0.78 103.07 105.45 3n72 h GLY 134 Ca 0.21 0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.58 3n72 h GLY 134 CO -0.01 -0.13 -0.24 0.50 0.00 0.00 0.00 176.54 176.66 3n72 h LYS 135 N -0.32 0.62 -0.45 4.80 1.57 -1.18 -0.97 116.57 120.64 3n72 h LYS 135 Ca -0.02 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3n72 h LYS 135 Cb 0.27 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3n72 h LYS 135 CO 0.02 0.81 0.27 0.93 -0.57 0.00 0.00 179.45 180.92 3n72 h GLU 136 N 0.55 0.61 -0.41 3.15 5.08 -0.98 -1.35 114.58 121.23 3n72 h GLU 136 Ca 0.08 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3n72 h GLU 136 Cb 0.71 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3n72 h GLU 136 CO 0.05 0.45 0.03 0.87 -1.00 0.00 0.00 179.01 179.41 3n72 h LYS 137 N 0.60 0.71 -0.17 2.33 1.79 -0.82 0.20 116.57 121.22 3n72 h LYS 137 Ca 0.16 -0.21 0.02 0.00 -2.18 0.00 0.00 60.65 58.44 3n72 h LYS 137 Cb -0.01 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 3n72 h LYS 137 CO -0.03 0.78 0.05 0.82 -1.08 0.00 0.00 179.45 179.98 3n72 h ILE 138 N 0.55 0.95 -0.66 1.86 2.04 -1.11 -0.19 117.51 120.96 3n72 h ILE 138 Ca 0.12 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 3n72 h ILE 138 Cb 0.44 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3n72 h ILE 138 CO 0.02 0.02 0.25 0.11 0.00 0.00 0.00 178.15 178.55 3n72 h LYS 139 N 0.12 0.99 -0.80 2.37 1.57 -1.09 -2.56 116.57 117.17 3n72 h LYS 139 Ca 0.07 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3n72 h LYS 139 Cb 0.05 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 3n72 h LYS 139 CO -0.08 0.84 0.52 1.49 -0.57 0.00 0.00 179.45 181.64 3n72 h GLU 140 N 0.93 0.99 0.00 3.15 4.57 -0.30 -0.32 114.58 123.60 3n72 h GLU 140 Ca 0.22 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 3n72 h GLU 140 Cb 0.23 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3n72 h GLU 140 CO -0.01 0.66 0.00 0.00 -1.18 0.00 0.00 179.01 178.47 3n72 n LEU 142 N -2.69 1.77 0.29 0.00 4.77 -0.99 -4.75 117.00 115.40 3n72 n LEU 142 Ca 0.02 -0.77 0.16 0.00 -0.03 0.00 0.00 56.01 55.39 3n72 n LEU 142 Cb 0.34 0.00 0.88 0.00 -2.33 0.00 0.00 43.42 42.31 3n72 n LEU 142 CO 0.27 0.33 1.06 0.07 -1.33 0.00 0.00 177.39 177.79 3n72 h LYS 143 N 2.03 0.00 -0.63 3.23 2.10 -0.82 -1.83 116.57 120.65 3n72 h LYS 143 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3n72 h LYS 143 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 3n72 h LYS 143 CO 0.00 0.05 0.00 0.09 -2.00 0.00 0.00 179.45 177.59 3n72 n ASN 144 N -3.49 3.65 -0.08 7.07 4.13 -1.26 -4.56 115.26 120.72 3n72 n ASN 144 Ca -0.02 -2.16 -0.06 0.00 1.68 0.00 0.00 54.58 54.02 3n72 n ASN 144 Cb 0.18 -0.46 -0.00 0.00 -1.54 0.00 0.00 39.78 37.95 3n72 n ASN 144 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 3n72 h PHE 145 N 3.57 -0.14 -0.33 3.10 3.57 -1.68 0.33 116.94 125.36 3n72 h PHE 145 Ca 0.00 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.37 3n72 h PHE 145 Cb 1.01 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 3n72 h PHE 145 CO 0.52 -0.12 -0.42 0.37 -2.23 0.00 0.00 178.31 176.43 3n72 h GLN 146 N 0.01 0.86 -0.63 1.11 4.15 -1.84 0.98 115.11 119.75 3n72 h GLN 146 Ca 0.15 -0.49 -0.02 0.00 0.77 0.00 0.00 58.65 59.06 3n72 h GLN 146 Cb 0.22 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 3n72 h GLN 146 CO -0.31 1.13 0.31 0.93 -1.93 0.00 0.00 178.83 178.96 3n72 h GLU 147 N 0.65 0.91 -0.06 1.69 5.08 -1.81 -1.60 114.58 119.44 3n72 h GLU 147 Ca 0.04 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 3n72 h GLU 147 Cb 1.01 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3n72 h GLU 147 CO 0.10 0.73 -0.46 -0.44 -1.00 0.00 0.00 179.01 177.94 3n72 h ASP 148 N 0.87 0.15 -0.16 1.42 3.32 -0.10 -0.92 116.42 121.00 3n72 h ASP 148 Ca 0.22 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3n72 h ASP 148 Cb 0.11 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3n72 h ASP 148 CO -0.03 0.59 0.07 0.25 -1.72 0.00 0.00 179.24 178.40 3n72 h LEU 149 N 0.12 0.22 -0.88 1.55 5.85 -0.55 -0.16 115.31 121.45 3n72 h LEU 149 Ca 0.01 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 3n72 h LEU 149 Cb 0.85 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 3n72 h LEU 149 CO 0.07 0.32 0.14 -0.07 -0.34 0.00 0.00 178.44 178.56 3n72 h LEU 150 N 0.11 0.91 -0.47 2.25 3.38 -1.01 -0.12 115.31 120.36 3n72 h LEU 150 Ca 0.05 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 3n72 h LEU 150 Cb 0.17 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3n72 h LEU 150 CO -0.00 0.89 0.02 0.50 0.09 0.00 0.00 178.44 179.93 3n72 h LYS 151 N 0.92 0.82 -0.40 1.13 3.64 -1.09 -1.59 116.57 120.00 3n72 h LYS 151 Ca 0.20 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3n72 h LYS 151 Cb 0.34 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3n72 h LYS 151 CO 0.00 0.86 0.24 1.25 -2.27 0.00 0.00 179.45 179.53 3n72 h HIS 152 N 0.68 0.54 -0.70 1.91 2.76 -0.61 -0.69 115.15 119.03 3n72 h HIS 152 Ca 0.14 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.25 3n72 h HIS 152 Cb 0.48 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 3n72 h HIS 152 CO 0.04 0.39 0.23 0.22 -1.30 0.00 0.00 177.93 177.51 3n72 h ASP 153 N 0.53 1.02 -0.64 3.26 3.58 -0.87 0.15 116.42 123.44 3n72 h ASP 153 Ca 0.14 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 3n72 h ASP 153 Cb 0.02 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.77 3n72 h ASP 153 CO -0.03 0.95 0.35 0.50 -2.88 0.00 0.00 179.24 178.14 3n72 h LYS 154 N 1.03 0.90 0.00 0.28 3.64 -1.03 -0.76 116.57 120.63 3n72 h LYS 154 Ca 0.23 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 3n72 h LYS 154 Cb 0.29 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3n72 h LYS 154 CO -0.01 0.68 -0.45 -0.91 -2.27 0.00 0.00 179.45 176.49 3n72 h ASN 155 N 0.88 0.00 -0.53 4.20 2.35 -0.71 0.16 115.58 121.93 3n72 h ASN 155 Ca 0.23 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 3n72 h ASN 155 Cb 0.04 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3n72 h ASN 155 CO -0.04 0.45 0.10 -0.33 -1.65 0.00 0.00 177.43 175.97 3n72 h GLU 156 N 0.00 0.92 -0.36 0.81 4.39 -0.18 -0.62 114.58 119.53 3n72 h GLU 156 Ca -0.00 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.38 3n72 h GLU 156 Cb 1.12 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 3n72 h GLU 156 CO 0.06 0.85 -0.15 0.77 -1.16 0.00 0.00 179.01 179.38 3n72 h SER 157 N 0.87 0.76 -0.24 1.42 0.02 -0.53 -3.26 113.55 112.59 3n72 h SER 157 Ca 0.18 -0.39 0.02 0.00 -0.84 0.00 0.00 61.79 60.76 3n72 h SER 157 Cb 0.37 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3n72 h SER 157 CO 0.01 0.98 0.16 0.78 -1.14 0.00 0.00 176.83 177.62 3n72 h ASN 158 N 0.53 0.19 -1.08 3.07 2.35 -0.23 -1.96 115.58 118.45 3n72 h ASN 158 Ca 0.08 -0.00 0.29 0.00 -0.55 0.00 0.00 56.30 56.12 3n72 h ASN 158 Cb 0.68 -0.05 -0.09 0.00 0.05 0.00 0.00 38.32 38.92 3n72 h ASN 158 CO 0.05 0.13 0.71 0.50 -1.65 0.00 0.00 177.43 177.17 3n72 h LYS 159 N 0.22 0.29 -0.00 0.81 3.64 -1.17 -0.80 116.57 119.56 3n72 h LYS 159 Ca 0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3n72 h LYS 159 Cb 0.11 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3n72 h LYS 159 CO -0.02 0.19 -0.15 0.39 -2.27 0.00 0.00 179.45 177.59 3n72 n GLU 160 N -4.56 0.55 0.00 1.90 1.02 -0.73 -4.31 120.64 114.51 3n72 n GLU 160 Ca 0.26 -0.20 0.13 0.00 -0.02 0.00 0.00 57.16 57.32 3n72 n GLU 160 Cb 0.98 -1.50 0.33 0.00 -0.02 0.00 0.00 31.44 31.23 3n72 n GLU 160 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3n72 n LEU 161 N -1.04 0.77 -2.73 -4.62 4.77 -0.31 -4.12 117.00 109.73 3n72 n LEU 161 Ca 0.12 -0.14 -0.05 0.00 -0.03 0.00 0.00 56.01 55.92 3n72 n LEU 161 Cb 0.30 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3n72 n LEU 161 CO 0.25 0.16 -0.02 0.29 -1.33 0.00 0.00 177.39 176.74 3n72 n LYS 162 N -1.04 1.74 0.00 3.23 5.02 -1.26 -5.17 118.16 120.68 3n72 n LYS 162 Ca 0.09 -3.51 0.00 0.00 -2.02 0.00 0.00 58.31 52.87 3n72 n LYS 162 Cb 0.34 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 3n72 n LYS 162 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32