#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n72 h LEU 14 N 0.00 1.05 -0.52 3.41 3.38 -1.96 -0.12 115.31 120.56 3n72 h LEU 14 Ca 0.00 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3n72 h LEU 14 Cb 0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3n72 h LEU 14 CO 0.00 0.80 0.33 0.22 0.09 0.00 0.00 178.44 179.88 3n72 h TYR 15 N 1.21 0.61 0.00 1.13 3.20 -1.94 0.32 116.97 121.50 3n72 h TYR 15 Ca 0.32 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 3n72 h TYR 15 Cb -0.06 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 3n72 h TYR 15 CO -0.00 0.36 -0.29 0.74 -1.64 0.00 0.00 178.16 177.34 3n72 h PHE 16 N 0.65 0.00 -0.08 -3.82 0.04 -1.75 -1.39 116.94 110.59 3n72 h PHE 16 Ca 0.20 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.97 3n72 h PHE 16 Cb -0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.13 3n72 h PHE 16 CO -0.05 0.29 0.00 1.04 -0.60 0.00 0.00 178.31 178.98 3n72 n GLN 17 N -4.02 1.29 -0.11 1.51 6.02 -0.10 -4.91 117.38 117.06 3n72 n GLN 17 Ca -0.02 -0.44 0.00 0.00 -0.01 0.00 0.00 57.00 56.54 3n72 n GLN 17 Cb 0.35 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.34 3n72 n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3n72 n GLY 18 N 0.86 0.69 3.76 1.08 0.00 -0.52 -4.73 105.19 106.34 3n72 n GLY 18 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.89 4.41 0.02 1.61 2.12 0.03 -4.48 118.70 121.52 3n72 s GLU 19 Ca 0.00 2.10 0.06 0.00 0.36 0.00 0.00 54.97 57.49 3n72 s GLU 19 Cb 0.00 -3.13 -0.02 0.00 0.26 0.00 0.00 34.13 31.24 3n72 s GLU 19 CO 0.00 -0.14 -0.19 1.03 -0.54 0.00 0.00 175.26 175.42 3n72 s ARG 20 N -1.23 1.36 -0.21 4.30 1.81 -0.10 -4.30 118.95 120.58 3n72 s ARG 20 Ca 0.51 -0.80 -0.15 0.00 -1.72 0.00 0.00 55.73 53.57 3n72 s ARG 20 Cb -0.38 -1.39 -0.04 0.00 -0.45 0.00 0.00 34.95 32.69 3n72 s ARG 20 CO 0.46 0.36 0.38 1.21 -0.68 0.00 0.00 175.30 177.04 3n72 s ASN 21 N -0.87 6.39 -0.23 0.23 3.84 -1.26 -2.02 114.94 121.02 3n72 s ASN 21 Ca 0.06 0.45 0.11 0.00 0.21 0.00 0.00 52.86 53.69 3n72 s ASN 21 Cb -0.08 -2.22 0.43 0.00 -0.55 0.00 0.00 41.25 38.84 3n72 s ASN 21 CO 0.01 -0.08 1.21 -1.22 -2.79 0.00 0.00 177.10 174.22 3n72 n TYR 22 N 4.58 0.85 -0.24 0.43 4.01 0.23 -4.81 117.16 122.21 3n72 n TYR 22 Ca -0.09 -1.69 -0.07 0.00 -0.16 0.00 0.00 57.90 55.89 3n72 n TYR 22 Cb 0.51 -0.27 0.04 0.00 -0.31 0.00 0.00 39.34 39.31 3n72 n TYR 22 CO 0.00 0.00 0.00 -0.97 -0.46 0.00 0.00 176.86 175.43 3n72 h ASN 23 N 1.39 0.93 -0.11 7.72 -1.24 -1.94 0.90 115.58 123.22 3n72 h ASN 23 Ca 0.10 -0.17 0.00 0.00 0.71 0.00 0.00 56.30 56.94 3n72 h ASN 23 Cb 1.20 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 40.01 3n72 h ASN 23 CO 0.24 0.84 0.07 0.50 -1.29 0.00 0.00 177.43 177.79 3n72 h LYS 24 N 0.96 0.14 -0.51 6.67 3.64 -1.95 -0.77 116.57 124.74 3n72 h LYS 24 Ca 0.23 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.65 3n72 h LYS 24 Cb 0.20 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 3n72 h LYS 24 CO -0.02 0.09 0.23 2.35 -2.27 0.00 0.00 179.45 179.83 3n72 h TRP 25 N 0.14 0.41 -0.32 1.91 7.01 -1.88 -1.67 115.95 121.55 3n72 h TRP 25 Ca 0.04 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.01 3n72 h TRP 25 Cb -0.01 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 3n72 h TRP 25 CO -0.07 0.17 0.01 0.00 -2.79 0.00 0.00 178.44 175.76 3n72 h ALA 26 N 1.30 0.43 -0.14 2.65 0.00 -0.56 0.12 119.26 123.06 3n72 h ALA 26 Ca 0.23 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3n72 h ALA 26 Cb 0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3n72 h ALA 26 CO -0.20 0.17 -0.13 0.93 0.00 0.00 0.00 179.25 180.03 3n72 h GLU 27 N 0.36 -0.14 -0.82 0.00 5.08 -1.10 -1.21 114.58 116.74 3n72 h GLU 27 Ca 0.09 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 3n72 h GLU 27 Cb 0.42 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 3n72 h GLU 27 CO 0.01 -0.09 0.51 0.77 -1.00 0.00 0.00 179.01 179.21 3n72 h SER 28 N -0.15 0.79 0.06 1.42 0.02 -0.95 -1.23 113.55 113.52 3n72 h SER 28 Ca 0.09 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3n72 h SER 28 Cb 0.28 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3n72 h SER 28 CO -0.22 0.51 -0.03 0.22 -1.14 0.00 0.00 176.83 176.16 3n72 h TYR 29 N 0.92 -0.08 -0.35 3.45 3.20 -0.49 -0.06 116.97 123.57 3n72 h TYR 29 Ca 0.36 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.22 3n72 h TYR 29 Cb 0.17 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3n72 h TYR 29 CO -0.04 0.18 0.19 0.82 -1.64 0.00 0.00 178.16 177.67 3n72 h ILE 30 N -0.33 1.15 -0.38 1.81 2.04 -1.12 -1.13 117.51 119.54 3n72 h ILE 30 Ca -0.01 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.50 3n72 h ILE 30 Cb 0.29 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3n72 h ILE 30 CO 0.01 0.15 0.18 0.11 0.00 0.00 0.00 178.15 178.60 3n72 h LYS 31 N 0.44 0.36 -0.12 2.37 1.57 -1.19 -2.02 116.57 117.98 3n72 h LYS 31 Ca 0.12 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3n72 h LYS 31 Cb 0.07 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3n72 h LYS 31 CO -0.02 0.24 0.05 -0.92 -0.57 0.00 0.00 179.45 178.23 3n72 h TYR 32 N 0.37 0.17 -0.24 -1.35 3.20 -0.73 0.90 116.97 119.30 3n72 h TYR 32 Ca 0.17 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 3n72 h TYR 32 Cb 0.09 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3n72 h TYR 32 CO -0.11 0.25 0.03 -0.91 -1.64 0.00 0.00 178.16 175.78 3n72 h ASN 33 N 0.04 0.39 0.20 -2.11 2.35 -1.14 -1.83 115.58 113.48 3n72 h ASN 33 Ca 0.04 -0.27 -0.18 0.00 -0.55 0.00 0.00 56.30 55.34 3n72 h ASN 33 Cb 0.15 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 3n72 h ASN 33 CO -0.00 0.56 -0.70 -0.07 -1.65 0.00 0.00 177.43 175.56 3n72 h LEU 34 N 0.20 0.53 -2.25 1.61 3.38 -1.32 -2.37 115.31 115.10 3n72 h LEU 34 Ca 0.07 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3n72 h LEU 34 Cb 0.34 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3n72 h LEU 34 CO 0.01 1.07 -0.03 0.28 0.09 0.00 0.00 178.44 179.86 3n72 h SER 35 N 0.31 0.00 -0.02 -0.43 0.02 -0.70 -2.74 113.55 109.99 3n72 h SER 35 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3n72 h SER 35 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3n72 h SER 35 CO 0.12 0.03 -0.19 0.59 -1.14 0.00 0.00 176.83 176.24 3n72 n ASN 36 N -3.22 2.16 -4.67 3.07 3.02 -0.70 -4.77 115.26 110.15 3n72 n ASN 36 Ca -0.02 -1.58 -0.43 0.00 -0.03 0.00 0.00 54.58 52.53 3n72 n ASN 36 Cb 0.18 0.24 -0.02 0.00 -0.61 0.00 0.00 39.78 39.57 3n72 n ASN 36 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3n72 s LEU 37 N -1.86 4.19 -0.08 3.41 2.96 -0.91 -5.03 118.68 121.35 3n72 s LEU 37 Ca 0.18 1.58 0.03 0.00 -0.22 0.00 0.00 54.13 55.70 3n72 s LEU 37 Cb 0.15 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.30 3n72 s LEU 37 CO 0.34 -0.62 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.03 3n72 s LYS 38 N 2.78 2.38 -0.39 1.98 1.02 -1.26 -4.23 119.74 122.02 3n72 s LYS 38 Ca 0.50 -0.67 -0.13 0.00 0.02 0.00 0.00 55.97 55.69 3n72 s LYS 38 Cb -0.19 -1.87 0.02 0.00 -0.52 0.00 0.00 37.83 35.27 3n72 s LYS 38 CO 0.14 0.13 0.25 0.42 -0.92 0.00 0.00 175.35 175.38 3n72 s ILE 39 N 0.42 4.99 -0.35 2.17 1.01 -0.15 -4.94 121.20 124.35 3n72 s ILE 39 Ca -0.15 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 59.67 3n72 s ILE 39 Cb -0.16 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 3n72 s ILE 39 CO 0.06 -0.24 0.30 -1.61 0.00 0.00 0.00 174.94 173.45 3n72 s GLU 40 N 1.64 3.44 0.48 2.79 0.41 -1.26 -0.51 118.70 125.69 3n72 s GLU 40 Ca 0.04 -0.61 0.04 0.00 -0.41 0.00 0.00 54.97 54.03 3n72 s GLU 40 Cb -0.19 -3.83 0.04 0.00 -1.78 0.00 0.00 34.13 28.37 3n72 s GLU 40 CO 0.09 -0.53 0.31 1.63 -0.49 0.00 0.00 175.26 176.27 3n72 n LYS 41 N 5.24 0.79 -0.02 1.61 4.76 0.20 -5.04 118.16 125.69 3n72 n LYS 41 Ca -0.11 -3.09 -0.10 0.00 -2.87 0.00 0.00 58.31 52.14 3n72 n LYS 41 Cb 0.49 0.42 -0.04 0.00 -1.84 0.00 0.00 35.03 34.06 3n72 n LYS 41 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 3n72 h GLU 42 N 0.00 0.10 -0.00 1.97 4.11 -2.02 -3.32 114.58 115.41 3n72 h GLU 42 Ca -0.32 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.10 3n72 h GLU 42 Cb 1.13 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3n72 h GLU 42 CO 0.51 0.06 -0.00 -0.25 0.07 0.00 0.00 179.01 179.40 3n72 n ASP 43 N -5.08 1.11 -3.95 3.06 9.92 -1.26 -4.82 116.55 115.54 3n72 n ASP 43 Ca -0.04 -1.06 -0.13 0.00 -0.53 0.00 0.00 54.79 53.03 3n72 n ASP 43 Cb 0.07 0.03 -0.13 0.00 -0.64 0.00 0.00 41.12 40.44 3n72 n ASP 43 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3n72 s LEU 44 N -0.20 2.07 -0.16 0.64 1.43 -1.25 -0.13 118.68 121.08 3n72 s LEU 44 Ca 0.02 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 3n72 s LEU 44 Cb 0.01 -0.12 0.00 0.00 0.03 0.00 0.00 46.19 46.11 3n72 s LEU 44 CO 0.02 -0.04 -0.15 -0.89 0.23 0.00 0.00 176.35 175.52 3n72 s THR 45 N -0.42 2.62 -0.03 5.49 2.01 -0.14 -0.63 115.64 124.55 3n72 s THR 45 Ca -0.02 -0.78 -0.19 0.00 0.31 0.00 0.00 61.69 61.00 3n72 s THR 45 Cb -0.03 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 3n72 s THR 45 CO -0.00 0.51 0.55 -0.63 -0.69 0.00 0.00 174.62 174.36 3n72 s ILE 46 N 0.88 4.99 0.28 1.82 -1.09 0.33 -0.78 121.20 127.64 3n72 s ILE 46 Ca -0.04 1.13 0.01 0.00 -2.23 0.00 0.00 60.65 59.52 3n72 s ILE 46 Cb -0.15 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 36.82 3n72 s ILE 46 CO -0.01 0.41 0.28 -0.72 -1.23 0.00 0.00 174.94 173.68 3n72 s TYR 47 N -0.09 1.31 0.08 3.97 -0.85 -0.32 -0.97 117.35 120.48 3n72 s TYR 47 Ca 0.29 -1.42 0.03 0.00 -0.52 0.00 0.00 57.07 55.45 3n72 s TYR 47 Cb -0.17 -0.47 -0.03 0.00 0.38 0.00 0.00 41.96 41.67 3n72 s TYR 47 CO 0.15 -0.86 -0.10 -0.06 -1.52 0.00 0.00 175.55 173.17 3n72 s PHE 48 N -3.65 0.95 0.34 -3.49 0.08 -1.26 -0.17 117.98 110.79 3n72 s PHE 48 Ca 0.37 -0.61 -0.16 0.00 0.12 0.00 0.00 56.93 56.65 3n72 s PHE 48 Cb 0.03 -0.54 0.04 0.00 -0.57 0.00 0.00 43.02 41.98 3n72 s PHE 48 CO 0.20 -0.03 0.72 0.34 -0.10 0.00 0.00 175.22 176.35 3n72 s ASP 49 N -2.14 -0.01 -1.11 1.36 -1.08 -0.72 -4.57 116.67 108.41 3n72 s ASP 49 Ca 0.00 -1.00 -0.12 0.00 -0.52 0.00 0.00 52.55 50.92 3n72 s ASP 49 Cb -0.05 0.78 -0.04 0.00 -1.46 0.00 0.00 42.92 42.16 3n72 s ASP 49 CO -0.00 -1.52 0.85 0.59 0.52 0.00 0.00 175.17 175.61 3n72 n ASN 50 N -1.06 -5.46 -4.60 -0.34 3.02 -1.26 -0.77 115.26 104.78 3n72 n ASN 50 Ca -0.06 -0.85 -0.42 0.00 -0.03 0.00 0.00 54.58 53.23 3n72 n ASN 50 Cb 0.60 -4.34 -0.05 0.00 -0.61 0.00 0.00 39.78 35.37 3n72 n ASN 50 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3n72 s LEU 51 N -5.99 4.11 -0.21 3.41 1.43 -1.26 -3.96 118.68 116.21 3n72 s LEU 51 Ca 0.41 0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 53.91 3n72 s LEU 51 Cb -0.10 -3.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 3n72 s LEU 51 CO 0.80 -0.63 0.24 -1.10 0.23 0.00 0.00 176.35 175.88 3n72 s GLN 52 N 2.95 4.16 -0.19 1.70 -0.21 0.12 -4.98 119.66 123.20 3n72 s GLN 52 Ca 0.31 -0.07 0.01 0.00 0.02 0.00 0.00 55.36 55.62 3n72 s GLN 52 Cb -0.14 -3.49 0.04 0.00 1.00 0.00 0.00 33.01 30.42 3n72 s GLN 52 CO 0.14 0.12 -0.09 0.08 -2.12 0.00 0.00 175.29 173.41 3n72 s VAL 53 N 0.87 1.52 -0.09 1.09 1.01 -1.26 -1.17 120.40 122.36 3n72 s VAL 53 Ca 0.12 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3n72 s VAL 53 Cb -0.13 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.66 3n72 s VAL 53 CO 0.04 0.18 -0.10 -0.55 0.00 0.00 0.00 175.10 174.67 3n72 s SER 54 N 1.46 2.03 0.00 3.32 0.15 -0.48 -4.94 113.70 115.24 3n72 s SER 54 Ca -0.00 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.33 3n72 s SER 54 Cb -0.16 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 3n72 s SER 54 CO -0.08 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.92 3n72 n GLY 55 N 4.43 -0.45 3.26 9.45 0.00 -1.26 -0.89 105.19 119.74 3n72 n GLY 55 Ca -0.17 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 3n72 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n72 s ASN 56 N -4.00 -0.09 -0.18 1.61 2.20 -0.34 -4.99 114.94 109.15 3n72 s ASN 56 Ca 0.00 -0.37 -0.09 0.00 -0.94 0.00 0.00 52.86 51.46 3n72 s ASN 56 Cb 0.00 0.39 0.06 0.00 -2.00 0.00 0.00 41.25 39.71 3n72 s ASN 56 CO 0.00 -0.73 0.42 0.00 -2.94 0.00 0.00 177.10 173.85 3n72 s ALA 57 N -3.36 -1.08 0.03 3.54 0.00 -1.26 -1.75 121.76 117.88 3n72 s ALA 57 Ca 0.01 1.55 -0.00 0.00 0.00 0.00 0.00 51.96 53.52 3n72 s ALA 57 Cb 0.02 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 3n72 s ALA 57 CO -0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 175.76 175.32 3n72 s VAL 59 N -2.11 0.01 0.34 0.00 1.01 -0.86 -1.65 120.40 117.14 3n72 s VAL 59 Ca -0.10 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.87 3n72 s VAL 59 Cb -0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 36.38 36.15 3n72 s VAL 59 CO -0.03 -0.03 0.06 -0.94 0.00 0.00 0.00 175.10 174.16 3n72 s SER 60 N -0.06 2.48 -0.16 3.32 1.04 -0.54 -0.93 113.70 118.85 3n72 s SER 60 Ca -0.01 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.01 3n72 s SER 60 Cb -0.01 -0.02 -0.00 0.00 0.10 0.00 0.00 66.02 66.09 3n72 s SER 60 CO 0.00 -0.64 -0.15 -0.63 0.98 0.00 0.00 173.24 172.80 3n72 s ILE 61 N -3.27 2.68 -0.18 -1.02 -1.09 -1.26 -1.16 121.20 115.90 3n72 s ILE 61 Ca 0.35 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 3n72 s ILE 61 Cb 0.08 -2.14 0.04 0.00 -1.58 0.00 0.00 42.46 38.86 3n72 s ILE 61 CO 0.15 0.51 -0.09 -0.60 -1.23 0.00 0.00 174.94 173.68 3n72 s ARG 62 N 0.88 1.90 -1.47 2.79 3.52 0.13 -4.82 118.95 121.88 3n72 s ARG 62 Ca -0.04 -0.72 -0.05 0.00 -0.13 0.00 0.00 55.73 54.79 3n72 s ARG 62 Cb -0.15 -2.27 0.04 0.00 -1.56 0.00 0.00 34.95 31.01 3n72 s ARG 62 CO -0.01 -0.41 0.55 1.63 -0.81 0.00 0.00 175.30 176.26 3n72 n LYS 63 N 4.75 -3.56 -0.86 5.12 4.76 -1.26 -1.01 118.16 126.10 3n72 n LYS 63 Ca -0.14 0.43 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 3n72 n LYS 63 Cb 0.47 -4.76 0.00 0.00 -1.84 0.00 0.00 35.03 28.90 3n72 n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3n72 n GLY 64 N -1.82 0.83 3.30 0.72 0.00 -1.26 -5.03 105.19 101.93 3n72 n GLY 64 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 3n72 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n72 s LYS 65 N -0.14 2.00 -0.04 1.61 -0.14 -0.18 -5.10 119.74 117.74 3n72 s LYS 65 Ca 0.00 -0.92 -0.30 0.00 -1.36 0.00 0.00 55.97 53.39 3n72 s LYS 65 Cb 0.00 -1.96 -0.03 0.00 -1.68 0.00 0.00 37.83 34.16 3n72 s LYS 65 CO 0.00 0.53 1.07 -0.65 -0.76 0.00 0.00 175.35 175.55 3n72 s GLN 66 N -0.67 4.45 -0.20 1.68 -0.21 -1.26 -0.69 119.66 122.75 3n72 s GLN 66 Ca 0.10 1.52 -0.03 0.00 0.02 0.00 0.00 55.36 56.98 3n72 s GLN 66 Cb -0.10 -3.49 -0.01 0.00 1.00 0.00 0.00 33.01 30.42 3n72 s GLN 66 CO -0.01 -0.26 -0.08 0.42 -2.12 0.00 0.00 175.29 173.25 3n72 s ILE 67 N 1.62 3.14 0.17 1.08 -1.09 -0.31 -4.97 121.20 120.85 3n72 s ILE 67 Ca 0.53 -0.58 0.10 0.00 -2.23 0.00 0.00 60.65 58.47 3n72 s ILE 67 Cb -0.22 -2.40 -0.04 0.00 -1.58 0.00 0.00 42.46 38.21 3n72 s ILE 67 CO 0.24 0.46 -0.19 0.54 -1.23 0.00 0.00 174.94 174.75 3n72 s ASN 68 N 1.24 3.75 -0.06 3.58 2.20 -1.26 -1.47 114.94 122.91 3n72 s ASN 68 Ca 0.03 -0.72 -0.02 0.00 -0.94 0.00 0.00 52.86 51.20 3n72 s ASN 68 Cb -0.14 -0.44 0.04 0.00 -2.00 0.00 0.00 41.25 38.71 3n72 s ASN 68 CO -0.03 0.13 0.11 -0.55 -2.94 0.00 0.00 177.10 173.82 3n72 s SER 69 N -2.58 0.74 0.04 3.54 0.15 -0.66 -5.00 113.70 109.93 3n72 s SER 69 Ca 0.21 0.21 -0.01 0.00 0.70 0.00 0.00 55.95 57.06 3n72 s SER 69 Cb -0.09 0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.27 3n72 s SER 69 CO 0.11 -0.23 -0.03 0.72 1.20 0.00 0.00 173.24 175.01 3n72 s PHE 70 N 2.01 0.45 -0.25 3.44 -0.12 -1.26 -0.77 117.98 121.47 3n72 s PHE 70 Ca 0.01 -0.88 -0.15 0.00 -0.05 0.00 0.00 56.93 55.87 3n72 s PHE 70 Cb -0.12 -0.33 0.07 0.00 -0.63 0.00 0.00 43.02 42.01 3n72 s PHE 70 CO -0.04 -0.30 0.63 -2.00 -0.05 0.00 0.00 175.22 173.45 3n72 s GLU 71 N -3.07 0.65 0.01 1.99 2.12 -0.71 -1.23 118.70 118.45 3n72 s GLU 71 Ca -0.01 1.10 0.01 0.00 0.36 0.00 0.00 54.97 56.44 3n72 s GLU 71 Cb 0.02 0.13 -0.01 0.00 0.26 0.00 0.00 34.13 34.52 3n72 s GLU 71 CO -0.07 -0.15 -0.05 0.71 -0.54 0.00 0.00 175.26 175.17 3n72 s TYR 72 N 1.46 0.45 -0.18 5.30 1.51 0.11 -1.20 117.35 124.80 3n72 s TYR 72 Ca -0.09 -0.21 -0.09 0.00 -1.01 0.00 0.00 57.07 55.67 3n72 s TYR 72 Cb -0.06 -0.28 -0.05 0.00 -0.11 0.00 0.00 41.96 41.47 3n72 s TYR 72 CO -0.16 -0.04 0.11 -1.50 -1.11 0.00 0.00 175.55 172.85 3n72 s ILE 73 N -0.51 5.25 -0.21 2.71 2.07 -0.07 -0.50 121.20 129.94 3n72 s ILE 73 Ca -0.02 0.13 0.02 0.00 -1.41 0.00 0.00 60.65 59.36 3n72 s ILE 73 Cb -0.04 -3.37 0.04 0.00 0.13 0.00 0.00 42.46 39.22 3n72 s ILE 73 CO -0.00 0.48 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.73 3n72 s ILE 74 N 0.11 1.96 -0.11 2.00 1.01 -0.28 -1.38 121.20 124.50 3n72 s ILE 74 Ca 0.08 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.58 3n72 s ILE 74 Cb -0.11 -1.94 0.02 0.00 0.01 0.00 0.00 42.46 40.44 3n72 s ILE 74 CO -0.00 0.26 -0.13 -0.75 0.00 0.00 0.00 174.94 174.32 3n72 s LYS 75 N 1.27 1.98 0.19 2.79 2.20 -0.32 -0.23 119.74 127.62 3n72 s LYS 75 Ca -0.01 -0.46 -0.03 0.00 -0.36 0.00 0.00 55.97 55.11 3n72 s LYS 75 Cb -0.16 -1.79 0.01 0.00 -1.51 0.00 0.00 37.83 34.38 3n72 s LYS 75 CO -0.09 -0.14 0.31 1.97 -0.36 0.00 0.00 175.35 177.03 3n72 n PHE 76 N 4.47 -1.19 -4.37 4.03 1.16 -0.11 0.12 117.46 121.57 3n72 n PHE 76 Ca -0.17 -1.18 -0.26 0.00 -1.87 0.00 0.00 57.45 53.97 3n72 n PHE 76 Cb 0.51 0.35 -0.12 0.00 -1.61 0.00 0.00 39.48 38.61 3n72 n PHE 76 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 3n72 s GLU 77 N -2.32 1.36 0.11 3.97 2.02 0.05 -0.79 118.70 123.10 3n72 s GLU 77 Ca 0.13 -1.38 0.08 0.00 0.02 0.00 0.00 54.97 53.82 3n72 s GLU 77 Cb -0.01 -1.69 -0.04 0.00 0.10 0.00 0.00 34.13 32.49 3n72 s GLU 77 CO 0.10 0.38 -0.14 1.67 0.02 0.00 0.00 175.26 177.29 3n72 s TRP 78 N -1.44 2.64 0.19 1.61 1.48 -0.18 -1.75 118.94 121.49 3n72 s TRP 78 Ca 0.15 -0.21 -0.01 0.00 -1.06 0.00 0.00 56.10 54.97 3n72 s TRP 78 Cb -0.09 -1.39 -0.04 0.00 -1.16 0.00 0.00 33.47 30.80 3n72 s TRP 78 CO 0.07 0.41 0.12 -0.51 -4.06 0.00 0.00 176.95 172.98 3n72 s LEU 79 N -2.20 1.25 0.02 -4.66 1.02 0.76 -1.25 118.68 113.63 3n72 s LEU 79 Ca 0.20 -1.34 -0.07 0.00 0.02 0.00 0.00 54.13 52.93 3n72 s LEU 79 Cb -0.11 0.39 -0.00 0.00 0.02 0.00 0.00 46.19 46.50 3n72 s LEU 79 CO 0.12 -0.83 0.14 -0.72 0.02 0.00 0.00 176.35 175.09 3n72 s TYR 80 N -4.14 0.08 -0.12 0.29 1.13 -0.33 -1.17 117.35 113.09 3n72 s TYR 80 Ca 0.36 -0.25 0.02 0.00 -1.41 0.00 0.00 57.07 55.78 3n72 s TYR 80 Cb 0.07 -0.07 -0.00 0.00 -1.10 0.00 0.00 41.96 40.86 3n72 s TYR 80 CO 0.10 -0.34 -0.19 0.45 -2.51 0.00 0.00 175.55 173.06 3n72 s SER 81 N -1.73 3.48 -0.92 -0.18 0.15 0.04 -0.16 113.70 114.38 3n72 s SER 81 Ca -0.10 -0.48 -0.24 0.00 0.70 0.00 0.00 55.95 55.83 3n72 s SER 81 Cb -0.04 -1.50 0.05 0.00 -1.71 0.00 0.00 66.02 62.81 3n72 s SER 81 CO -0.01 0.14 1.38 -0.54 1.20 0.00 0.00 173.24 175.40 3n72 s LYS 82 N 0.50 3.46 0.19 5.44 1.02 -0.49 -0.96 119.74 128.89 3n72 s LYS 82 Ca -0.12 -0.86 -0.13 0.00 0.02 0.00 0.00 55.97 54.87 3n72 s LYS 82 Cb -0.17 -4.95 0.19 0.00 -0.52 0.00 0.00 37.83 32.38 3n72 s LYS 82 CO 0.05 -2.17 1.70 -0.22 -0.92 0.00 0.00 175.35 173.79 3n72 h LYS 83 N 9.83 0.18 0.00 1.68 3.11 -0.83 0.73 116.57 131.27 3n72 h LYS 83 Ca 0.04 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 3n72 h LYS 83 Cb 1.02 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.21 3n72 h LYS 83 CO 1.37 0.12 0.00 1.63 -2.81 0.00 0.00 179.45 179.76 3n72 n LYS 84 N -5.16 0.15 0.00 1.90 4.01 -1.26 -3.91 118.16 113.89 3n72 n LYS 84 Ca 0.06 0.26 0.03 0.00 -0.51 0.00 0.00 58.31 58.15 3n72 n LYS 84 Cb 0.26 -1.72 0.00 0.00 -0.51 0.00 0.00 35.03 33.05 3n72 n LYS 84 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3n72 n GLU 85 N -1.99 2.19 -3.34 1.97 1.02 0.16 -5.04 120.64 115.60 3n72 n GLU 85 Ca 0.04 -0.50 -0.18 0.00 -0.02 0.00 0.00 57.16 56.50 3n72 n GLU 85 Cb 0.30 -0.97 0.07 0.00 -0.02 0.00 0.00 31.44 30.82 3n72 n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n72 n GLY 86 N 0.71 -0.29 2.93 0.62 0.00 -0.67 -5.02 105.19 103.47 3n72 n GLY 86 Ca 0.03 0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 3n72 n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n72 s LYS 87 N -5.72 1.17 -0.05 1.61 1.02 -1.25 -5.03 119.74 111.50 3n72 s LYS 87 Ca 0.29 -0.21 -0.01 0.00 0.02 0.00 0.00 55.97 56.06 3n72 s LYS 87 Cb -0.13 -1.11 -0.04 0.00 -0.52 0.00 0.00 37.83 36.03 3n72 s LYS 87 CO 0.62 -0.08 0.03 -0.51 -0.92 0.00 0.00 175.35 174.49 3n72 s ASP 88 N 0.99 5.41 0.06 2.83 1.01 -1.26 -1.39 116.67 124.31 3n72 s ASP 88 Ca -0.09 0.14 0.04 0.00 0.71 0.00 0.00 52.55 53.34 3n72 s ASP 88 Cb -0.14 -1.53 -0.03 0.00 1.01 0.00 0.00 42.92 42.23 3n72 s ASP 88 CO 0.00 0.33 -0.11 -0.31 0.21 0.00 0.00 175.17 175.29 3n72 s TYR 89 N -1.01 0.98 0.15 4.23 2.02 0.78 -4.99 117.35 119.50 3n72 s TYR 89 Ca 0.17 -0.48 -0.30 0.00 -0.37 0.00 0.00 57.07 56.09 3n72 s TYR 89 Cb -0.12 -0.56 -0.07 0.00 -0.40 0.00 0.00 41.96 40.81 3n72 s TYR 89 CO 0.07 -0.00 1.06 0.12 -1.57 0.00 0.00 175.55 175.22 3n72 s PHE 90 N -1.32 3.66 -0.17 2.71 5.36 -1.26 -1.19 117.98 125.78 3n72 s PHE 90 Ca -0.05 1.65 -0.09 0.00 -0.96 0.00 0.00 56.93 57.48 3n72 s PHE 90 Cb -0.10 -3.21 -0.07 0.00 -0.34 0.00 0.00 43.02 39.30 3n72 s PHE 90 CO 0.01 -0.36 -0.22 0.41 -1.46 0.00 0.00 175.22 173.60 3n72 n GLY 91 N 2.19 -0.29 0.00 13.12 0.00 -0.38 -4.89 105.19 114.94 3n72 n GLY 91 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.93 -0.53 3.55 -0.02 0.00 -0.96 -0.59 105.19 108.57 3n72 n GLY 92 Ca -0.33 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.66 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 4.11 -0.03 1.61 1.04 -0.95 -1.01 113.70 114.47 3n72 s SER 93 Ca 0.00 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 55.78 3n72 s SER 93 Cb 0.00 -0.63 0.01 0.00 0.10 0.00 0.00 66.02 65.50 3n72 s SER 93 CO 0.00 0.09 -0.07 -0.69 0.98 0.00 0.00 173.24 173.55 3n72 s VAL 94 N -1.85 0.66 -0.07 5.02 1.01 0.03 -0.70 120.40 124.49 3n72 s VAL 94 Ca 0.26 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3n72 s VAL 94 Cb -0.08 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.70 3n72 s VAL 94 CO 0.15 0.23 -0.08 -0.70 0.00 0.00 0.00 175.10 174.69 3n72 s GLU 95 N 0.48 1.37 -0.39 2.72 2.12 0.42 -0.93 118.70 124.48 3n72 s GLU 95 Ca -0.07 -0.26 -0.02 0.00 0.36 0.00 0.00 54.97 54.98 3n72 s GLU 95 Cb -0.11 -1.29 0.10 0.00 0.26 0.00 0.00 34.13 33.10 3n72 s GLU 95 CO 0.01 -0.10 0.18 0.42 -0.54 0.00 0.00 175.26 175.22 3n72 s ILE 96 N 1.08 3.18 -0.64 -3.70 1.01 0.68 -0.65 121.20 122.16 3n72 s ILE 96 Ca -0.07 -2.03 0.26 0.00 0.00 0.00 0.00 60.65 58.80 3n72 s ILE 96 Cb -0.14 -3.17 0.30 0.00 0.01 0.00 0.00 42.46 39.46 3n72 s ILE 96 CO -0.01 -0.64 1.75 1.55 0.00 0.00 0.00 174.94 177.59 3n72 h PRO 97 N 8.01 0.00 -1.54 2.79 0.13 -1.84 -0.72 132.00 138.82 3n72 h PRO 97 Ca -0.13 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.55 3n72 h PRO 97 Cb 1.05 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.86 3n72 h PRO 97 CO 0.67 0.00 -0.89 -3.47 -0.23 0.00 0.00 178.00 174.08 3n72 n ASP 98 N -2.44 -0.96 -4.44 1.44 2.03 -1.24 -4.31 116.55 106.64 3n72 n ASP 98 Ca 0.05 -2.78 -0.44 0.00 0.52 0.00 0.00 54.79 52.14 3n72 n ASP 98 Cb 0.43 0.13 -0.08 0.00 -0.72 0.00 0.00 41.12 40.89 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 -0.35 3.16 0.20 -0.67 5.36 0.34 -4.75 117.98 121.28 3n72 s PHE 99 Ca 0.34 -0.62 -0.05 0.00 -0.96 0.00 0.00 56.93 55.64 3n72 s PHE 99 Cb 0.14 -3.16 -0.03 0.00 -0.34 0.00 0.00 43.02 39.63 3n72 s PHE 99 CO -0.15 -0.83 0.23 -1.54 -1.46 0.00 0.00 175.22 171.47 3n72 s SER 100 N 2.33 0.09 0.26 6.13 1.04 -1.26 0.09 113.70 122.38 3n72 s SER 100 Ca 0.10 -1.19 -0.04 0.00 0.48 0.00 0.00 55.95 55.30 3n72 s SER 100 Cb -0.20 0.43 0.52 0.00 0.10 0.00 0.00 66.02 66.86 3n72 s SER 100 CO 0.11 -0.91 1.66 0.74 0.98 0.00 0.00 173.24 175.82 3n72 h THR 101 N 2.54 0.42 -0.10 2.02 2.02 -1.56 -0.27 112.91 117.98 3n72 h THR 101 Ca -0.33 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 3n72 h THR 101 Cb 1.24 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 3n72 h THR 101 CO 0.49 0.04 -0.11 -0.26 0.37 0.00 0.00 175.52 176.04 3n72 h PHE 102 N 0.21 0.31 0.00 3.16 0.04 -1.96 -3.08 116.94 115.62 3n72 h PHE 102 Ca 0.45 -0.10 -0.07 0.00 2.80 0.00 0.00 57.97 61.05 3n72 h PHE 102 Cb 0.81 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 3n72 h PHE 102 CO -0.30 0.69 -0.32 0.66 -0.60 0.00 0.00 178.31 178.44 3n72 h SER 103 N -0.15 0.00 0.25 2.17 4.64 -1.79 -3.00 113.55 115.66 3n72 h SER 103 Ca 0.01 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.17 3n72 h SER 103 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 3n72 h SER 103 CO 0.03 0.32 -0.65 0.25 -0.87 0.00 0.00 176.83 175.91 3n72 h LEU 104 N 0.00 0.43 -0.22 5.97 5.85 -1.10 -1.90 115.31 124.34 3n72 h LEU 104 Ca -0.00 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3n72 h LEU 104 Cb 1.09 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3n72 h LEU 104 CO 0.04 0.97 0.14 -0.33 -0.34 0.00 0.00 178.44 178.92 3n72 h GLU 105 N 0.27 0.30 -0.03 1.25 3.07 -1.43 -0.55 114.58 117.46 3n72 h GLU 105 Ca -0.01 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3n72 h GLU 105 Cb 1.20 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3n72 h GLU 105 CO 0.11 0.22 0.00 -0.85 -1.40 0.00 0.00 179.01 177.09 3n72 n GLU 106 N -4.92 1.47 -2.39 2.33 -0.00 -1.24 -4.94 120.64 110.95 3n72 n GLU 106 Ca -0.03 -0.68 -0.06 0.00 -0.00 0.00 0.00 57.16 56.39 3n72 n GLU 106 Cb 0.04 -1.46 -0.00 0.00 -0.00 0.00 0.00 31.44 30.01 3n72 n GLU 106 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3n72 n ASN 107 N -0.16 -2.44 -1.14 -1.84 4.05 -0.22 -4.84 115.26 108.67 3n72 n ASN 107 Ca 0.20 0.33 0.08 0.00 0.45 0.00 0.00 54.58 55.64 3n72 n ASN 107 Cb 0.27 -2.17 0.29 0.00 1.23 0.00 0.00 39.78 39.40 3n72 n ASN 107 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 3n72 n ASP 108 N -1.53 4.24 -4.78 1.20 3.85 -0.96 -5.01 116.55 113.55 3n72 n ASP 108 Ca -0.07 -2.79 -0.35 0.00 -0.71 0.00 0.00 54.79 50.87 3n72 n ASP 108 Cb 0.54 -0.53 -0.01 0.00 -1.35 0.00 0.00 41.12 39.77 3n72 n ASP 108 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3n72 s TYR 109 N -2.45 2.76 0.34 2.11 -0.85 -1.25 -5.01 117.35 113.01 3n72 s TYR 109 Ca 0.43 1.55 -0.27 0.00 -0.52 0.00 0.00 57.07 58.26 3n72 s TYR 109 Cb 0.33 -3.22 -0.09 0.00 0.38 0.00 0.00 41.96 39.35 3n72 s TYR 109 CO 0.13 -1.38 1.17 0.00 -1.52 0.00 0.00 175.55 173.95 3n72 s ALA 110 N -1.87 3.32 -0.21 9.51 0.00 -1.26 -5.05 121.76 126.20 3n72 s ALA 110 Ca 0.71 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.66 3n72 s ALA 110 Cb -0.22 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.58 3n72 s ALA 110 CO 0.26 -0.40 -0.06 0.42 0.00 0.00 0.00 175.76 175.98 3n72 s ILE 111 N -1.28 1.37 -0.29 0.00 1.01 -1.26 -4.15 121.20 116.60 3n72 s ILE 111 Ca 0.51 -0.98 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 3n72 s ILE 111 Cb -0.33 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 3n72 s ILE 111 CO 0.42 0.01 0.16 0.20 0.00 0.00 0.00 174.94 175.72 3n72 s ASN 112 N 1.49 5.69 -0.13 3.58 0.01 0.18 -4.95 114.94 120.80 3n72 s ASN 112 Ca -0.03 -0.25 -0.00 0.00 -0.71 0.00 0.00 52.86 51.87 3n72 s ASN 112 Cb -0.17 -2.04 -0.01 0.00 0.41 0.00 0.00 41.25 39.43 3n72 s ASN 112 CO -0.07 -0.11 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.64 3n72 s ILE 113 N 1.68 2.97 0.20 0.60 1.01 -1.26 -0.43 121.20 125.96 3n72 s ILE 113 Ca 0.06 -0.69 0.11 0.00 0.00 0.00 0.00 60.65 60.13 3n72 s ILE 113 Cb -0.16 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 3n72 s ILE 113 CO 0.08 0.52 -0.18 -1.61 0.00 0.00 0.00 174.94 173.75 3n72 s GLU 114 N 0.44 1.73 -0.10 2.79 0.41 0.12 -5.01 118.70 119.09 3n72 s GLU 114 Ca -0.10 -1.48 -0.06 0.00 -0.41 0.00 0.00 54.97 52.92 3n72 s GLU 114 Cb -0.16 -1.94 -0.04 0.00 -1.78 0.00 0.00 34.13 30.21 3n72 s GLU 114 CO 0.05 0.40 0.13 1.03 -0.49 0.00 0.00 175.26 176.37 3n72 s ARG 115 N -2.87 3.37 0.46 1.61 0.52 -1.26 -2.23 118.95 118.55 3n72 s ARG 115 Ca 0.24 -0.20 0.18 0.00 -0.52 0.00 0.00 55.73 55.43 3n72 s ARG 115 Cb -0.08 -3.12 1.08 0.00 0.52 0.00 0.00 34.95 33.35 3n72 s ARG 115 CO 0.12 0.75 1.98 0.00 0.02 0.00 0.00 175.30 178.18 3n72 h THR 116 N 3.84 0.99 -3.90 0.02 1.03 -1.20 -3.46 112.91 110.23 3n72 h THR 116 Ca -0.54 -0.72 -0.18 0.00 -0.01 0.00 0.00 66.41 64.96 3n72 h THR 116 Cb 1.22 1.40 -0.08 0.00 -1.07 0.00 0.00 68.15 69.62 3n72 h THR 116 CO 0.59 0.19 -0.15 1.51 -0.01 0.00 0.00 175.52 177.66 3n72 s ASP 117 N -6.74 0.49 -0.05 0.00 1.47 -1.26 -5.06 116.67 105.52 3n72 s ASP 117 Ca -0.03 -1.28 0.11 0.00 1.18 0.00 0.00 52.55 52.53 3n72 s ASP 117 Cb 0.15 0.64 0.42 0.00 -0.34 0.00 0.00 42.92 43.79 3n72 s ASP 117 CO 0.67 -1.27 1.28 -0.62 0.68 0.00 0.00 175.17 175.91 3n72 n GLU 118 N -0.49 2.47 -1.73 2.11 1.02 -1.26 -4.89 120.64 117.87 3n72 n GLU 118 Ca -0.01 -1.65 -0.36 0.00 -0.02 0.00 0.00 57.16 55.12 3n72 n GLU 118 Cb 0.62 -1.56 0.07 0.00 -0.02 0.00 0.00 31.44 30.54 3n72 n GLU 118 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3n72 s SER 119 N -0.79 4.62 0.25 1.62 1.04 -1.26 -4.89 113.70 114.29 3n72 s SER 119 Ca 0.30 2.53 -0.06 0.00 0.48 0.00 0.00 55.95 59.20 3n72 s SER 119 Cb 0.18 -2.61 0.27 0.00 0.10 0.00 0.00 66.02 63.96 3n72 s SER 119 CO 0.16 -1.99 1.93 -0.33 0.98 0.00 0.00 173.24 173.99 3n72 h GLU 120 N 0.45 1.32 -0.50 4.02 4.39 -2.00 -2.44 114.58 119.82 3n72 h GLU 120 Ca -0.50 -0.08 0.05 0.00 0.34 0.00 0.00 59.36 59.17 3n72 h GLU 120 Cb 1.32 -0.30 -0.05 0.00 -0.10 0.00 0.00 28.75 29.63 3n72 h GLU 120 CO 0.53 0.87 0.23 -0.91 -1.16 0.00 0.00 179.01 178.57 3n72 h ASN 121 N 1.36 0.31 0.14 1.42 2.35 -2.00 -1.90 115.58 117.26 3n72 h ASN 121 Ca 0.37 0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 56.02 3n72 h ASN 121 Cb -0.14 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3n72 h ASN 121 CO -0.08 0.21 -0.50 -0.07 -1.65 0.00 0.00 177.43 175.34 3n72 h LEU 122 N 0.45 0.44 -0.57 1.61 3.38 -1.89 -2.31 115.31 116.43 3n72 h LEU 122 Ca 0.23 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3n72 h LEU 122 Cb 0.17 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3n72 h LEU 122 CO -0.18 0.87 0.38 -0.09 0.09 0.00 0.00 178.44 179.50 3n72 h ARG 123 N 0.32 0.74 -0.28 1.13 1.12 -1.25 0.89 114.38 117.06 3n72 h ARG 123 Ca 0.01 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 58.83 3n72 h ARG 123 Cb 0.99 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.77 3n72 h ARG 123 CO 0.09 0.49 0.13 0.35 -3.11 0.00 0.00 179.97 177.92 3n72 h PHE 124 N 0.77 0.40 -0.11 2.20 3.57 -1.20 -0.33 116.94 122.24 3n72 h PHE 124 Ca 0.21 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 3n72 h PHE 124 Cb -0.08 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 3n72 h PHE 124 CO -0.04 0.37 0.06 0.82 -2.23 0.00 0.00 178.31 177.30 3n72 h ILE 125 N 0.32 1.08 0.23 1.41 2.04 -1.17 0.65 117.51 122.07 3n72 h ILE 125 Ca 0.10 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3n72 h ILE 125 Cb 0.12 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3n72 h ILE 125 CO -0.01 0.07 -0.22 0.22 0.00 0.00 0.00 178.15 178.21 3n72 h TYR 126 N 0.09 -0.59 -0.56 1.37 3.20 -0.71 -1.32 116.97 118.45 3n72 h TYR 126 Ca 0.04 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 3n72 h TYR 126 Cb 0.06 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3n72 h TYR 126 CO -0.05 -0.33 0.14 -0.44 -1.64 0.00 0.00 178.16 175.84 3n72 h ASP 127 N -0.48 0.84 1.01 -2.11 3.32 -0.98 -0.99 116.42 117.03 3n72 h ASP 127 Ca -0.00 -0.23 -0.21 0.00 0.02 0.00 0.00 57.03 56.61 3n72 h ASP 127 Cb 0.45 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 3n72 h ASP 127 CO -0.05 0.85 -1.01 0.77 -1.72 0.00 0.00 179.24 178.08 3n72 h SER 128 N 0.79 0.00 0.00 6.45 4.64 -0.82 -3.42 113.55 121.19 3n72 h SER 128 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3n72 h SER 128 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3n72 h SER 128 CO 0.00 0.95 -0.78 -0.38 -0.87 0.00 0.00 176.83 175.75 3n72 n ILE 129 N -3.31 0.00 -0.00 0.95 5.41 -0.52 -4.89 119.36 116.99 3n72 n ILE 129 Ca -0.01 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.57 3n72 n ILE 129 Cb 0.93 -1.22 -0.11 0.00 -0.71 0.00 0.00 39.64 38.53 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 0.44 -2.10 1.39 3.38 -1.06 0.11 115.31 117.47 3n72 h LEU 130 Ca 0.00 -0.77 -0.02 0.00 0.09 0.00 0.00 57.88 57.18 3n72 h LEU 130 Cb 0.78 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3n72 h LEU 130 CO 0.00 1.16 -0.08 0.07 0.09 0.00 0.00 178.44 179.68 3n72 h LYS 131 N -0.23 0.00 0.00 1.13 2.10 -1.47 -2.50 116.57 115.60 3n72 h LYS 131 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 3n72 h LYS 131 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3n72 h LYS 131 CO 0.10 0.08 -0.00 1.17 -2.00 0.00 0.00 179.45 178.80 3n72 n LYS 132 N -3.71 0.00 -0.21 0.07 4.81 -1.25 -4.69 118.16 113.18 3n72 n LYS 132 Ca -0.02 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.36 3n72 n LYS 132 Cb 0.19 -0.08 0.04 0.00 0.02 0.00 0.00 35.03 35.20 3n72 n LYS 132 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3n72 h GLU 133 N -0.00 0.82 -0.39 1.64 4.81 -1.64 -1.13 114.58 118.68 3n72 h GLU 133 Ca 0.00 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3n72 h GLU 133 Cb 0.00 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.16 3n72 h GLU 133 CO 0.00 0.57 0.13 0.78 -0.73 0.00 0.00 179.01 179.75 3n72 h GLY 134 N 0.82 0.50 0.98 1.92 0.00 -0.66 0.87 103.07 107.50 3n72 h GLY 134 Ca 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3n72 h GLY 134 CO -0.04 0.02 0.25 0.50 0.00 0.00 0.00 176.54 177.26 3n72 h LYS 135 N 0.28 0.79 -0.59 4.80 1.57 -1.26 -1.08 116.57 121.09 3n72 h LYS 135 Ca 0.18 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3n72 h LYS 135 Cb 0.17 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 3n72 h LYS 135 CO -0.20 0.67 0.34 0.93 -0.57 0.00 0.00 179.45 180.62 3n72 h GLU 136 N 0.73 0.65 -0.18 3.15 5.08 -0.54 -1.70 114.58 121.77 3n72 h GLU 136 Ca 0.18 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.35 3n72 h GLU 136 Cb 0.15 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3n72 h GLU 136 CO -0.02 0.43 -0.54 0.87 -1.00 0.00 0.00 179.01 178.75 3n72 h LYS 137 N 0.67 0.52 -0.37 2.33 1.79 -0.58 -1.43 116.57 119.50 3n72 h LYS 137 Ca 0.24 -0.32 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3n72 h LYS 137 Cb 0.07 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 3n72 h LYS 137 CO -0.12 0.93 0.23 0.82 -1.08 0.00 0.00 179.45 180.22 3n72 h ILE 138 N 0.40 1.12 -0.77 1.86 2.04 -0.97 -0.73 117.51 120.45 3n72 h ILE 138 Ca 0.01 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 3n72 h ILE 138 Cb 1.07 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3n72 h ILE 138 CO 0.10 0.11 0.34 0.11 0.00 0.00 0.00 178.15 178.82 3n72 h LYS 139 N 0.49 1.14 -0.73 2.37 1.57 -1.07 -2.01 116.57 118.32 3n72 h LYS 139 Ca 0.13 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3n72 h LYS 139 Cb -0.01 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 3n72 h LYS 139 CO -0.03 0.90 0.38 1.49 -0.57 0.00 0.00 179.45 181.62 3n72 h GLU 140 N 1.11 1.04 0.00 3.15 4.81 -1.05 -0.85 114.58 122.79 3n72 h GLU 140 Ca 0.26 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3n72 h GLU 140 Cb 0.16 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 3n72 h GLU 140 CO -0.03 0.80 -0.08 0.00 -0.73 0.00 0.00 179.01 178.97 3n72 n LEU 142 N -3.20 1.31 0.28 0.00 4.77 -0.80 -4.66 117.00 114.70 3n72 n LEU 142 Ca 0.01 -0.51 0.16 0.00 -0.03 0.00 0.00 56.01 55.63 3n72 n LEU 142 Cb 0.36 -0.04 0.82 0.00 -2.33 0.00 0.00 43.42 42.23 3n72 n LEU 142 CO 0.30 0.28 1.03 0.07 -1.33 0.00 0.00 177.39 177.73 3n72 h LYS 143 N 0.99 0.00 -0.45 3.23 2.10 -1.04 -1.76 116.57 119.64 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 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 3n72 h LYS 143 CO 0.00 0.07 0.00 0.09 -2.00 0.00 0.00 179.45 177.61 3n72 n ASN 144 N -3.45 2.35 -0.12 7.07 3.02 -1.26 -4.53 115.26 118.34 3n72 n ASN 144 Ca -0.02 -2.07 -0.04 0.00 -0.03 0.00 0.00 54.58 52.42 3n72 n ASN 144 Cb 0.21 -0.31 0.03 0.00 -0.61 0.00 0.00 39.78 39.10 3n72 n ASN 144 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3n72 h PHE 145 N 2.34 0.01 -0.20 3.10 3.57 -1.66 0.10 116.94 124.20 3n72 h PHE 145 Ca 0.00 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 3n72 h PHE 145 Cb 0.64 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 3n72 h PHE 145 CO 0.31 -0.06 -0.08 0.37 -2.23 0.00 0.00 178.31 176.63 3n72 h GLN 146 N 0.13 0.40 -0.64 1.11 4.15 -1.85 0.12 115.11 118.54 3n72 h GLN 146 Ca 0.20 -0.17 0.04 0.00 0.77 0.00 0.00 58.65 59.49 3n72 h GLN 146 Cb 0.27 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.90 3n72 h GLN 146 CO -0.31 0.68 0.38 0.93 -1.93 0.00 0.00 178.83 178.57 3n72 h GLU 147 N 0.11 0.70 -0.27 1.69 4.39 -1.78 -0.99 114.58 118.43 3n72 h GLU 147 Ca 0.05 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 3n72 h GLU 147 Cb 0.55 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3n72 h GLU 147 CO 0.03 0.46 -0.27 -0.44 -1.16 0.00 0.00 179.01 177.63 3n72 h ASP 148 N 0.72 0.53 -0.57 1.42 3.32 -0.60 -1.41 116.42 119.83 3n72 h ASP 148 Ca 0.27 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 57.16 3n72 h ASP 148 Cb 0.09 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 3n72 h ASP 148 CO -0.13 0.79 0.34 0.25 -1.72 0.00 0.00 179.24 178.76 3n72 h LEU 149 N 0.46 0.54 -0.87 1.55 5.85 -0.40 -0.22 115.31 122.21 3n72 h LEU 149 Ca 0.06 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 3n72 h LEU 149 Cb 0.71 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3n72 h LEU 149 CO 0.05 0.37 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.43 3n72 h LEU 150 N 0.66 0.78 -0.56 2.25 3.38 -0.79 -0.10 115.31 120.93 3n72 h LEU 150 Ca 0.24 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3n72 h LEU 150 Cb 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3n72 h LEU 150 CO -0.12 0.87 -0.04 0.11 0.09 0.00 0.00 178.44 179.35 3n72 h LYS 151 N 0.75 1.02 -0.58 1.13 1.57 -1.00 -1.74 116.57 117.73 3n72 h LYS 151 Ca 0.14 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.60 3n72 h LYS 151 Cb 0.49 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 3n72 h LYS 151 CO 0.02 1.03 0.36 1.25 -0.57 0.00 0.00 179.45 181.55 3n72 h HIS 152 N 0.91 0.67 -0.34 -1.35 2.76 -0.66 -2.44 115.15 114.71 3n72 h HIS 152 Ca 0.15 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.38 3n72 h HIS 152 Cb 0.60 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 29.30 3n72 h HIS 152 CO 0.04 0.39 0.12 0.22 -1.30 0.00 0.00 177.93 177.41 3n72 h ASP 153 N 0.71 0.14 -0.79 3.26 3.58 -0.80 -1.69 116.42 120.85 3n72 h ASP 153 Ca 0.23 0.03 0.15 0.00 0.42 0.00 0.00 57.03 57.86 3n72 h ASP 153 Cb -0.00 0.02 -0.10 0.00 1.72 0.00 0.00 39.33 40.97 3n72 h ASP 153 CO -0.09 0.12 0.34 0.50 -2.88 0.00 0.00 179.24 177.23 3n72 h LYS 154 N 0.27 0.46 -0.71 0.28 3.64 -1.09 -1.55 116.57 117.87 3n72 h LYS 154 Ca 0.15 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3n72 h LYS 154 Cb 0.12 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 3n72 h LYS 154 CO -0.15 0.31 0.47 -0.91 -2.27 0.00 0.00 179.45 176.90 3n72 h ASN 155 N 0.48 0.72 -0.20 4.20 2.35 -0.84 -1.44 115.58 120.84 3n72 h ASN 155 Ca 0.44 -0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 56.00 3n72 h ASN 155 Cb 0.67 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 3n72 h ASN 155 CO -0.40 0.49 -0.55 -0.08 -1.65 0.00 0.00 177.43 175.24 3n72 h GLU 156 N 0.83 0.79 -0.50 0.81 4.57 -0.67 -0.92 114.58 119.49 3n72 h GLU 156 Ca 0.29 -0.50 0.03 0.00 -1.18 0.00 0.00 59.36 58.00 3n72 h GLU 156 Cb 0.11 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.72 3n72 h GLU 156 CO -0.09 1.13 0.27 0.77 -1.18 0.00 0.00 179.01 179.92 3n72 h SER 157 N 0.61 0.42 -0.45 1.04 0.02 -0.74 -1.61 113.55 112.84 3n72 h SER 157 Ca 0.01 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 3n72 h SER 157 Cb 1.14 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 3n72 h SER 157 CO 0.12 0.29 0.23 0.78 -1.14 0.00 0.00 176.83 177.11 3n72 h ASN 158 N 0.54 0.33 -0.91 3.07 2.35 -0.97 -1.80 115.58 118.19 3n72 h ASN 158 Ca 0.21 0.02 0.06 0.00 -0.55 0.00 0.00 56.30 56.04 3n72 h ASN 158 Cb 0.08 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 3n72 h ASN 158 CO -0.12 0.23 0.58 0.50 -1.65 0.00 0.00 177.43 176.97 3n72 h LYS 159 N 0.45 1.04 0.00 0.81 3.64 -0.75 0.20 116.57 121.97 3n72 h LYS 159 Ca 0.20 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.36 3n72 h LYS 159 Cb 0.10 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3n72 h LYS 159 CO -0.14 0.69 -0.86 0.93 -2.27 0.00 0.00 179.45 177.80 3n72 h GLU 160 N 1.07 0.00 0.00 1.90 5.08 -1.07 -3.39 114.58 118.17 3n72 h GLU 160 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3n72 h GLU 160 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3n72 h GLU 160 CO -0.16 0.60 -0.04 1.28 -1.00 0.00 0.00 179.01 179.69 3n72 n LEU 161 N -3.19 0.00 0.00 1.33 4.77 -0.70 -4.89 117.00 114.32 3n72 n LEU 161 Ca -0.02 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 3n72 n LEU 161 Cb 0.83 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 3n72 n LEU 161 CO 0.43 0.00 -0.42 0.29 -1.33 0.00 0.00 177.39 176.36 3n72 n LYS 162 N -0.59 3.29 -2.73 3.23 5.02 0.64 -5.03 118.16 121.99 3n72 n LYS 162 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3n72 n LYS 162 Cb 0.00 -0.92 -0.03 0.00 -0.02 0.00 0.00 35.03 34.07 3n72 n LYS 162 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3n72 s ILE 163 N -1.83 4.80 -2.97 -0.18 -1.09 -0.78 -5.04 121.20 114.12 3n72 s ILE 163 Ca 0.00 1.96 0.24 0.00 -2.23 0.00 0.00 60.65 60.62 3n72 s ILE 163 Cb 0.00 -4.28 0.21 0.00 -1.58 0.00 0.00 42.46 36.82 3n72 s ILE 163 CO 0.00 0.01 1.29 2.29 -1.23 0.00 0.00 174.94 177.30