#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n12 s PRO 13 N 0.00 3.05 0.85 5.55 0.04 -1.26 -5.02 135.00 138.20 1n12 s PRO 13 Ca 0.00 2.06 -0.09 0.00 0.04 0.00 0.00 61.00 63.00 1n12 s PRO 13 Cb 0.00 -2.11 0.19 0.00 0.04 0.00 0.00 34.50 32.61 1n12 s PRO 13 CO 0.00 -1.21 1.16 0.00 0.04 0.00 0.00 177.00 176.99 1n12 n ALA 14 N -1.27 -0.77 -2.39 8.56 0.00 -1.26 -4.65 120.51 118.73 1n12 n ALA 14 Ca 0.12 -1.78 -0.28 0.00 0.00 0.00 0.00 53.44 51.50 1n12 n ALA 14 Cb 0.47 0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 1n12 n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n12 s THR 16 N -2.40 4.78 -0.06 0.00 2.01 -0.04 -4.66 115.64 115.26 1n12 s THR 16 Ca 0.46 -0.48 -0.18 0.00 0.31 0.00 0.00 61.69 61.80 1n12 s THR 16 Cb -0.10 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 1n12 s THR 16 CO 0.36 -0.03 0.49 -0.69 -0.69 0.00 0.00 174.62 174.06 1n12 s VAL 17 N 1.63 5.07 0.03 3.82 1.01 -1.26 -1.16 120.40 129.54 1n12 s VAL 17 Ca 0.04 1.01 -0.26 0.00 0.00 0.00 0.00 61.98 62.77 1n12 s VAL 17 Cb -0.18 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 1n12 s VAL 17 CO 0.07 0.41 0.81 -0.44 0.00 0.00 0.00 175.10 175.95 1n12 s SER 18 N 0.04 7.23 0.48 3.32 0.01 -0.12 -5.02 113.70 119.64 1n12 s SER 18 Ca 0.27 1.47 -0.23 0.00 1.31 0.00 0.00 55.95 58.77 1n12 s SER 18 Cb -0.16 -2.49 -0.07 0.00 0.21 0.00 0.00 66.02 63.51 1n12 s SER 18 CO 0.13 -0.06 1.27 0.20 0.41 0.00 0.00 173.24 175.19 1n12 s ASN 19 N 0.26 5.84 0.27 2.44 0.01 -1.26 -4.52 114.94 117.98 1n12 s ASN 19 Ca 0.41 2.55 -0.10 0.00 -0.71 0.00 0.00 52.86 55.01 1n12 s ASN 19 Cb -0.20 -2.62 -0.00 0.00 0.41 0.00 0.00 41.25 38.83 1n12 s ASN 19 CO 0.24 -1.16 0.45 0.28 -1.51 0.00 0.00 177.10 175.39 1n12 s THR 20 N -1.40 0.00 -0.01 1.60 -1.32 -1.26 -4.99 115.64 108.25 1n12 s THR 20 Ca 0.66 -1.50 0.02 0.00 -1.21 0.00 0.00 61.69 59.66 1n12 s THR 20 Cb -0.35 -2.35 -0.00 0.00 -1.51 0.00 0.00 72.50 68.29 1n12 s THR 20 CO 0.42 0.00 -0.07 -0.89 -2.21 0.00 0.00 174.62 171.88 1n12 s THR 21 N -3.78 0.56 -0.32 5.08 2.01 -1.26 -5.11 115.64 112.82 1n12 s THR 21 Ca 0.26 -0.27 -0.09 0.00 0.31 0.00 0.00 61.69 61.90 1n12 s THR 21 Cb 0.00 -0.49 0.01 0.00 0.01 0.00 0.00 72.50 72.03 1n12 s THR 21 CO 0.12 0.17 0.13 -0.69 -0.69 0.00 0.00 174.62 173.66 1n12 s VAL 22 N 0.02 4.28 -0.26 3.82 1.01 -1.26 -5.06 120.40 122.96 1n12 s VAL 22 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1n12 s VAL 22 Cb -0.05 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 33.09 1n12 s VAL 22 CO -0.00 -0.01 -0.01 -0.62 0.00 0.00 0.00 175.10 174.46 1n12 s ASP 23 N 1.54 4.57 0.00 3.32 3.68 -1.26 -4.95 116.67 123.57 1n12 s ASP 23 Ca 0.03 -0.72 0.25 0.00 2.13 0.00 0.00 52.55 54.24 1n12 s ASP 23 Cb -0.18 -1.75 0.57 0.00 -1.45 0.00 0.00 42.92 40.11 1n12 s ASP 23 CO 0.05 -0.13 1.45 0.79 0.13 0.00 0.00 175.17 177.46 1n12 n TRP 24 N 4.76 0.00 -2.92 -5.34 8.01 -1.26 -5.03 117.44 115.66 1n12 n TRP 24 Ca -0.16 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.03 1n12 n TRP 24 Cb 0.48 -0.23 0.00 0.00 -2.01 0.00 0.00 31.31 29.55 1n12 n TRP 24 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 1n12 n GLN 25 N -1.34 0.00 -2.74 -0.99 6.02 -1.26 -4.54 117.38 112.53 1n12 n GLN 25 Ca 0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.64 1n12 n GLN 25 Cb 0.34 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.56 1n12 n GLN 25 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1n12 s ASP 26 N -4.00 7.43 -0.07 1.08 1.01 -1.26 -5.04 116.67 115.82 1n12 s ASP 26 Ca 0.00 1.72 0.00 0.00 0.71 0.00 0.00 52.55 54.98 1n12 s ASP 26 Cb 0.00 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.38 1n12 s ASP 26 CO 0.00 -0.13 -0.04 -0.69 0.21 0.00 0.00 175.17 174.51 1n12 s VAL 27 N 0.37 0.62 -0.20 -1.27 1.01 -1.26 -5.11 120.40 114.55 1n12 s VAL 27 Ca 0.48 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1n12 s VAL 27 Cb -0.22 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 1n12 s VAL 27 CO 0.29 0.27 1.23 -1.61 0.00 0.00 0.00 175.10 175.28 1n12 s GLU 28 N 1.37 4.18 0.23 2.72 2.02 -1.26 -4.92 118.70 123.03 1n12 s GLU 28 Ca -0.03 1.52 -0.07 0.00 0.02 0.00 0.00 54.97 56.41 1n12 s GLU 28 Cb -0.13 -3.76 0.39 0.00 0.10 0.00 0.00 34.13 30.72 1n12 s GLU 28 CO -0.03 -0.77 1.69 0.82 0.02 0.00 0.00 175.26 176.99 1n12 h ILE 29 N 5.58 0.57 0.00 -1.63 2.04 -1.99 0.10 117.51 122.18 1n12 h ILE 29 Ca -0.25 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1n12 h ILE 29 Cb 1.09 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1n12 h ILE 29 CO 0.98 0.05 0.00 1.56 0.00 0.00 0.00 178.15 180.75 1n12 h GLN 30 N 0.27 0.00 -0.09 2.37 1.08 -2.04 -1.33 115.11 115.37 1n12 h GLN 30 Ca 0.37 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 1n12 h GLN 30 Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1n12 h GLN 30 CO -0.46 0.00 0.00 0.25 -0.95 0.00 0.00 178.83 177.67 1n12 n THR 31 N -2.35 0.09 -2.65 -0.54 -2.24 0.02 -4.95 114.28 101.66 1n12 n THR 31 Ca -0.02 -0.43 -0.38 0.00 -2.27 0.00 0.00 64.05 60.95 1n12 n THR 31 Cb 0.04 0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 69.18 1n12 n THR 31 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1n12 s LEU 32 N -1.88 4.39 -0.14 3.22 1.43 -0.51 -4.93 118.68 120.26 1n12 s LEU 32 Ca 0.33 2.00 -0.04 0.00 -1.03 0.00 0.00 54.13 55.39 1n12 s LEU 32 Cb 0.20 -3.90 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1n12 s LEU 32 CO 0.31 -0.15 0.01 -0.55 0.23 0.00 0.00 176.35 176.20 1n12 s SER 33 N -1.37 5.26 0.23 2.29 0.15 -1.26 -5.01 113.70 113.99 1n12 s SER 33 Ca 0.49 0.05 -0.06 0.00 0.70 0.00 0.00 55.95 57.13 1n12 s SER 33 Cb -0.24 -1.74 0.34 0.00 -1.71 0.00 0.00 66.02 62.68 1n12 s SER 33 CO 0.30 0.25 1.80 -0.61 1.20 0.00 0.00 173.24 176.18 1n12 h GLN 34 N 6.10 0.69 0.00 5.44 4.15 -1.90 -0.74 115.11 128.85 1n12 h GLN 34 Ca -0.40 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1n12 h GLN 34 Cb 1.18 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.72 1n12 h GLN 34 CO 0.62 0.45 0.00 -1.71 -1.93 0.00 0.00 178.83 176.26 1n12 n ASN 35 N -4.79 0.12 0.00 -0.69 5.15 -1.26 -2.54 115.26 111.24 1n12 n ASN 35 Ca 0.12 0.52 0.00 0.00 -0.60 0.00 0.00 54.58 54.61 1n12 n ASN 35 Cb 0.25 -0.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.96 1n12 n ASN 35 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n12 n GLY 36 N 0.98 2.96 0.00 8.20 0.00 -0.28 -4.85 105.19 112.20 1n12 n GLY 36 Ca 0.06 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1n12 n GLY 36 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1n12 n ASN 37 N 0.00 0.00 -3.76 1.61 6.94 -0.04 -4.84 115.26 115.17 1n12 n ASN 37 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 54.58 54.30 1n12 n ASN 37 Cb 0.00 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.47 1n12 n ASN 37 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1n12 n HIS 38 N 0.00 -2.45 -1.69 -2.53 8.25 -1.26 -0.81 115.22 114.72 1n12 n HIS 38 Ca 0.00 0.94 -0.44 0.00 -0.26 0.00 0.00 57.72 57.96 1n12 n HIS 38 Cb 0.00 -4.45 -0.03 0.00 1.12 0.00 0.00 29.99 26.63 1n12 n HIS 38 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1n12 n GLU 39 N -4.72 2.36 -4.24 -0.41 2.13 -1.26 -4.41 120.64 110.08 1n12 n GLU 39 Ca -0.03 0.85 -0.19 0.00 0.66 0.00 0.00 57.16 58.45 1n12 n GLU 39 Cb 0.56 -2.62 -0.16 0.00 0.27 0.00 0.00 31.44 29.50 1n12 n GLU 39 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1n12 s LYS 40 N 0.56 0.77 0.08 5.31 1.02 0.58 -4.98 119.74 123.08 1n12 s LYS 40 Ca 0.74 -0.19 -0.11 0.00 0.02 0.00 0.00 55.97 56.43 1n12 s LYS 40 Cb -0.61 -0.75 -0.06 0.00 -0.52 0.00 0.00 37.83 35.90 1n12 s LYS 40 CO 0.40 0.04 0.42 -2.00 -0.92 0.00 0.00 175.35 173.28 1n12 s GLU 41 N 0.40 3.79 0.08 1.68 2.12 -1.26 -0.59 118.70 124.93 1n12 s GLU 41 Ca -0.05 0.23 -0.09 0.00 0.36 0.00 0.00 54.97 55.42 1n12 s GLU 41 Cb -0.09 -3.01 -0.00 0.00 0.26 0.00 0.00 34.13 31.29 1n12 s GLU 41 CO 0.00 0.56 0.19 -0.59 -0.54 0.00 0.00 175.26 174.88 1n12 s PHE 42 N -1.38 0.14 0.15 5.30 -0.12 0.09 -4.97 117.98 117.18 1n12 s PHE 42 Ca 0.33 -0.54 0.09 0.00 -0.05 0.00 0.00 56.93 56.77 1n12 s PHE 42 Cb -0.14 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.15 1n12 s PHE 42 CO 0.18 -0.52 -0.17 0.95 -0.05 0.00 0.00 175.22 175.61 1n12 s THR 43 N -3.64 2.84 -0.06 -4.49 -4.23 -1.26 -0.94 115.64 103.86 1n12 s THR 43 Ca 0.03 -1.63 0.03 0.00 -1.18 0.00 0.00 61.69 58.94 1n12 s THR 43 Cb 0.04 -2.34 0.01 0.00 1.34 0.00 0.00 72.50 71.55 1n12 s THR 43 CO -0.10 0.01 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.16 1n12 s VAL 44 N -1.37 1.25 0.41 2.29 1.01 -0.47 -4.96 120.40 118.57 1n12 s VAL 44 Ca 0.20 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1n12 s VAL 44 Cb -0.10 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 1n12 s VAL 44 CO 0.11 0.38 0.42 0.20 0.00 0.00 0.00 175.10 176.21 1n12 s ASN 45 N 0.51 5.19 -0.06 3.32 0.01 -1.26 -1.22 114.94 121.43 1n12 s ASN 45 Ca -0.13 -0.67 -0.02 0.00 -0.71 0.00 0.00 52.86 51.33 1n12 s ASN 45 Cb -0.15 -0.60 0.03 0.00 0.41 0.00 0.00 41.25 40.94 1n12 s ASN 45 CO 0.04 -0.67 0.03 -0.60 -1.51 0.00 0.00 177.10 174.39 1n12 s ARG 47 N -4.17 0.28 -0.54 -0.60 3.52 -0.31 -0.94 118.95 116.19 1n12 s ARG 47 Ca 0.49 0.21 0.04 0.00 -0.13 0.00 0.00 55.73 56.34 1n12 s ARG 47 Cb -0.05 -0.83 0.13 0.00 -1.56 0.00 0.00 34.95 32.65 1n12 s ARG 47 CO 0.29 -0.34 0.29 0.00 -0.81 0.00 0.00 175.30 174.73 1n12 h PRO 49 N 6.38 0.56 -4.55 0.00 0.11 -1.84 -3.27 132.00 129.39 1n12 h PRO 49 Ca -0.05 -0.03 -0.71 0.00 0.11 0.00 0.00 66.00 65.31 1n12 h PRO 49 Cb 0.88 -0.13 -0.25 0.00 0.11 0.00 0.00 31.00 31.61 1n12 h PRO 49 CO 0.68 0.37 -0.50 -0.47 -0.21 0.00 0.00 178.00 177.87 1n12 s TYR 50 N -5.67 3.26 -0.21 0.65 5.04 -1.26 -4.94 117.35 114.22 1n12 s TYR 50 Ca -0.10 -1.07 0.15 0.00 -2.44 0.00 0.00 57.07 53.62 1n12 s TYR 50 Cb 0.25 -2.54 0.46 0.00 0.35 0.00 0.00 41.96 40.47 1n12 s TYR 50 CO 0.80 -0.69 1.17 0.27 -1.34 0.00 0.00 175.55 175.76 1n12 n ASN 51 N 4.99 2.59 -4.84 4.32 6.94 -1.23 -4.44 115.26 123.60 1n12 n ASN 51 Ca -0.12 -3.06 -0.36 0.00 -0.02 0.00 0.00 54.58 51.03 1n12 n ASN 51 Cb 0.45 -0.41 -0.06 0.00 -2.36 0.00 0.00 39.78 37.40 1n12 n ASN 51 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1n12 s LEU 52 N -2.90 4.36 0.00 -4.53 1.43 -1.26 -4.87 118.68 110.92 1n12 s LEU 52 Ca 0.39 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.58 1n12 s LEU 52 Cb 0.37 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 43.39 1n12 s LEU 52 CO -0.05 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.27 1n12 n GLY 53 N 0.94 0.32 0.00 -3.19 0.00 -1.26 -4.29 105.19 97.71 1n12 n GLY 53 Ca -0.06 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1n12 n GLY 53 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n12 n THR 54 N 0.00 0.00 -3.58 2.61 -2.24 -1.26 -4.91 114.28 104.90 1n12 n THR 54 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1n12 n THR 54 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1n12 n THR 54 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1n12 s LYS 56 N 3.53 0.22 -0.03 -0.78 -0.14 -0.45 0.42 119.74 122.51 1n12 s LYS 56 Ca 0.00 0.41 0.07 0.00 -1.36 0.00 0.00 55.97 55.09 1n12 s LYS 56 Cb 0.00 0.09 -0.02 0.00 -1.68 0.00 0.00 37.83 36.22 1n12 s LYS 56 CO 0.00 -0.05 -0.24 0.08 -0.76 0.00 0.00 175.35 174.38 1n12 s VAL 57 N 1.41 2.25 -0.09 3.17 1.01 0.68 -2.28 120.40 126.54 1n12 s VAL 57 Ca -0.07 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 60.89 1n12 s VAL 57 Cb -0.03 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.57 1n12 s VAL 57 CO -0.13 0.58 -0.10 -0.89 0.00 0.00 0.00 175.10 174.55 1n12 s THR 58 N -0.60 1.13 -0.14 3.92 2.01 -0.41 -0.92 115.64 120.63 1n12 s THR 58 Ca 0.09 -0.41 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 1n12 s THR 58 Cb -0.10 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.31 1n12 s THR 58 CO -0.00 0.37 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.54 1n12 s ILE 59 N 1.21 3.06 0.13 1.82 1.01 -1.26 -1.45 121.20 125.71 1n12 s ILE 59 Ca -0.04 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.02 1n12 s ILE 59 Cb -0.14 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1n12 s ILE 59 CO -0.03 0.52 -0.14 0.42 0.00 0.00 0.00 174.94 175.71 1n12 s THR 60 N 0.48 1.34 0.04 2.92 -4.23 -0.25 -0.66 115.64 115.27 1n12 s THR 60 Ca -0.09 -1.78 -0.03 0.00 -1.18 0.00 0.00 61.69 58.60 1n12 s THR 60 Cb -0.16 -1.60 -0.02 0.00 1.34 0.00 0.00 72.50 72.07 1n12 s THR 60 CO 0.04 -0.46 0.05 0.00 -0.54 0.00 0.00 174.62 173.71 1n12 s ALA 61 N -2.32 0.11 0.02 3.99 0.00 -1.26 -0.33 121.76 121.97 1n12 s ALA 61 Ca 0.11 -0.73 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 1n12 s ALA 61 Cb -0.04 0.25 -0.32 0.00 0.00 0.00 0.00 23.12 23.01 1n12 s ALA 61 CO 0.03 -0.31 0.94 1.79 0.00 0.00 0.00 175.76 178.21 1n12 h THR 62 N 3.67 1.24 -3.48 0.00 1.35 -1.99 -3.43 112.91 110.27 1n12 h THR 62 Ca -0.33 -2.77 -0.67 0.00 -0.55 0.00 0.00 66.41 62.09 1n12 h THR 62 Cb 1.18 2.91 -0.30 0.00 -1.73 0.00 0.00 68.15 70.21 1n12 h THR 62 CO 0.53 0.84 -0.73 0.20 -0.25 0.00 0.00 175.52 176.11 1n12 s ASN 63 N -7.31 4.37 0.21 5.36 -0.87 -1.26 -5.09 114.94 110.35 1n12 s ASN 63 Ca -0.09 -0.74 0.02 0.00 -1.57 0.00 0.00 52.86 50.48 1n12 s ASN 63 Cb 0.06 -1.70 -0.05 0.00 -0.02 0.00 0.00 41.25 39.54 1n12 s ASN 63 CO 0.90 -0.11 0.03 0.42 -2.57 0.00 0.00 177.10 175.77 1n12 s THR 64 N 1.38 0.72 -0.30 1.60 -4.23 -1.26 -0.91 115.64 112.64 1n12 s THR 64 Ca 0.02 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.43 1n12 s THR 64 Cb -0.16 -2.31 0.15 0.00 1.34 0.00 0.00 72.50 71.52 1n12 s THR 64 CO -0.04 -0.32 0.72 -0.47 -0.54 0.00 0.00 174.62 173.97 1n12 s TYR 65 N -3.63 -1.24 -1.48 3.99 5.04 0.23 -4.72 117.35 115.54 1n12 s TYR 65 Ca 0.29 1.99 -0.12 0.00 -2.44 0.00 0.00 57.07 56.79 1n12 s TYR 65 Cb 0.06 0.69 0.06 0.00 0.35 0.00 0.00 41.96 43.12 1n12 s TYR 65 CO 0.08 -0.63 0.98 -1.71 -1.34 0.00 0.00 175.55 172.93 1n12 n ASN 66 N 5.36 -5.31 -1.65 4.32 5.15 -1.26 -0.86 115.26 121.01 1n12 n ASN 66 Ca -0.10 -0.65 -0.16 0.00 -0.60 0.00 0.00 54.58 53.07 1n12 n ASN 66 Cb 0.50 -4.23 -0.03 0.00 -0.53 0.00 0.00 39.78 35.49 1n12 n ASN 66 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1n12 n ASN 67 N -2.82 -4.93 -4.38 1.20 3.02 -1.26 -5.00 115.26 101.09 1n12 n ASN 67 Ca 0.02 0.14 -0.25 0.00 -0.03 0.00 0.00 54.58 54.46 1n12 n ASN 67 Cb 0.54 -3.97 -0.12 0.00 -0.61 0.00 0.00 39.78 35.62 1n12 n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n12 s ALA 68 N -2.75 2.30 -0.05 5.41 0.00 -0.04 -4.61 121.76 122.01 1n12 s ALA 68 Ca 0.00 -1.56 -0.29 0.00 0.00 0.00 0.00 51.96 50.11 1n12 s ALA 68 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1n12 s ALA 68 CO 0.00 0.35 0.97 0.42 0.00 0.00 0.00 175.76 177.51 1n12 s ILE 69 N -1.78 4.84 -0.35 0.00 1.01 -0.02 -0.60 121.20 124.30 1n12 s ILE 69 Ca 0.18 2.01 -0.19 0.00 0.00 0.00 0.00 60.65 62.65 1n12 s ILE 69 Cb -0.07 -4.30 -0.00 0.00 0.01 0.00 0.00 42.46 38.10 1n12 s ILE 69 CO 0.08 0.10 0.58 -0.22 0.00 0.00 0.00 174.94 175.47 1n12 s LEU 70 N 1.45 4.28 -0.19 2.97 2.96 -0.09 -1.20 118.68 128.86 1n12 s LEU 70 Ca 0.49 0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 54.21 1n12 s LEU 70 Cb -0.20 -2.69 -0.00 0.00 0.50 0.00 0.00 46.19 43.80 1n12 s LEU 70 CO 0.23 -0.52 1.15 -0.69 -1.32 0.00 0.00 176.35 175.19 1n12 s VAL 71 N 2.54 4.49 0.72 1.68 1.01 -0.04 -4.74 120.40 126.06 1n12 s VAL 71 Ca 0.22 1.79 -0.14 0.00 0.00 0.00 0.00 61.98 63.86 1n12 s VAL 71 Cb -0.15 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.11 1n12 s VAL 71 CO 0.14 -0.15 1.13 -1.10 0.00 0.00 0.00 175.10 175.12 1n12 s GLN 72 N 3.26 2.39 -1.79 2.72 -1.52 -1.26 -3.76 119.66 119.70 1n12 s GLN 72 Ca 0.49 1.44 0.00 0.00 -1.95 0.00 0.00 55.36 55.34 1n12 s GLN 72 Cb -0.18 -1.90 0.00 0.00 -0.22 0.00 0.00 33.01 30.71 1n12 s GLN 72 CO 0.11 -1.58 0.00 0.09 -0.25 0.00 0.00 175.29 173.66 1n12 n ASN 73 N -2.87 -5.59 -0.56 5.90 3.02 -1.26 -4.70 115.26 109.20 1n12 n ASN 73 Ca 0.11 0.11 0.06 0.00 -0.03 0.00 0.00 54.58 54.83 1n12 n ASN 73 Cb 0.52 -4.72 0.11 0.00 -0.61 0.00 0.00 39.78 35.08 1n12 n ASN 73 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1n12 n THR 74 N -3.58 0.63 -3.57 3.41 -2.24 -1.25 -4.80 114.28 102.87 1n12 n THR 74 Ca -0.23 -0.81 -0.11 0.00 -2.27 0.00 0.00 64.05 60.62 1n12 n THR 74 Cb 0.67 0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 69.62 1n12 n THR 74 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1n12 s SER 75 N -0.97 -0.40 0.00 3.42 0.15 -1.26 -0.44 113.70 114.19 1n12 s SER 75 Ca 0.19 0.45 0.24 0.00 0.70 0.00 0.00 55.95 57.53 1n12 s SER 75 Cb 0.11 0.35 0.43 0.00 -1.71 0.00 0.00 66.02 65.19 1n12 s SER 75 CO 0.15 -0.37 1.40 0.59 1.20 0.00 0.00 173.24 176.21 1n12 n ASN 76 N 0.80 2.96 0.00 5.45 3.02 -1.26 -4.99 115.26 121.24 1n12 n ASN 76 Ca -0.11 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.51 1n12 n ASN 76 Cb 0.58 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 1n12 n ASN 76 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1n12 n THR 77 N 1.22 0.00 0.00 3.41 -1.04 -1.26 -5.20 114.28 111.41 1n12 n THR 77 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1n12 n THR 77 Cb 0.56 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 1n12 n THR 77 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1n12 n ASP 80 N 0.00 -0.08 0.00 8.00 8.00 -1.26 -5.11 116.55 126.10 1n12 n ASP 80 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1n12 n ASP 80 Cb 0.00 0.76 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 1n12 n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n12 n GLY 81 N -0.61 0.66 3.77 0.44 0.00 -1.04 -4.57 105.19 103.86 1n12 n GLY 81 Ca 0.00 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 1n12 n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n12 s LEU 82 N 0.00 4.14 0.02 0.99 2.96 -1.26 -0.26 118.68 125.28 1n12 s LEU 82 Ca 0.00 2.25 0.07 0.00 -0.22 0.00 0.00 54.13 56.23 1n12 s LEU 82 Cb 0.00 -4.11 -0.02 0.00 0.50 0.00 0.00 46.19 42.56 1n12 s LEU 82 CO 0.00 -0.67 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.40 1n12 s LEU 83 N -2.63 2.12 -0.21 -0.68 1.43 0.51 -0.86 118.68 118.35 1n12 s LEU 83 Ca 0.58 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1n12 s LEU 83 Cb -0.28 -0.94 0.03 0.00 0.03 0.00 0.00 46.19 45.03 1n12 s LEU 83 CO 0.35 0.17 -0.15 -0.69 0.23 0.00 0.00 176.35 176.27 1n12 s VAL 84 N -0.68 2.28 -0.14 -1.59 1.01 -0.34 -0.18 120.40 120.77 1n12 s VAL 84 Ca 0.07 -1.13 -0.07 0.00 0.00 0.00 0.00 61.98 60.85 1n12 s VAL 84 Cb -0.08 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1n12 s VAL 84 CO 0.01 0.32 0.13 -0.31 0.00 0.00 0.00 175.10 175.25 1n12 s TYR 85 N 1.25 3.54 0.03 5.22 1.51 -0.05 -0.84 117.35 128.01 1n12 s TYR 85 Ca 0.00 0.47 0.05 0.00 -1.01 0.00 0.00 57.07 56.59 1n12 s TYR 85 Cb -0.16 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 1n12 s TYR 85 CO -0.09 0.63 -0.13 -0.51 -1.11 0.00 0.00 175.55 174.35 1n12 s LEU 86 N -0.74 2.87 0.04 -1.29 1.43 -1.26 -1.14 118.68 118.59 1n12 s LEU 86 Ca 0.13 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1n12 s LEU 86 Cb -0.12 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 1n12 s LEU 86 CO 0.03 0.26 -0.06 -0.31 0.23 0.00 0.00 176.35 176.49 1n12 s TYR 87 N -0.98 0.56 0.88 0.29 1.51 0.36 -0.43 117.35 119.55 1n12 s TYR 87 Ca 0.16 -0.53 -0.12 0.00 -1.01 0.00 0.00 57.07 55.57 1n12 s TYR 87 Cb -0.11 -0.34 0.12 0.00 -0.11 0.00 0.00 41.96 41.52 1n12 s TYR 87 CO 0.07 -0.12 1.15 1.21 -1.11 0.00 0.00 175.55 176.75 1n12 s ASN 88 N -1.60 3.81 0.07 2.29 3.84 0.49 -1.21 114.94 122.63 1n12 s ASN 88 Ca -0.11 0.89 0.07 0.00 0.21 0.00 0.00 52.86 53.92 1n12 s ASN 88 Cb -0.09 -1.42 -0.04 0.00 -0.55 0.00 0.00 41.25 39.15 1n12 s ASN 88 CO -0.00 -2.35 -0.15 -0.55 -2.79 0.00 0.00 177.10 171.25 1n12 s SER 89 N -4.22 4.03 -0.39 -4.21 0.15 -1.25 -0.14 113.70 107.65 1n12 s SER 89 Ca 0.63 -0.42 0.02 0.00 0.70 0.00 0.00 55.95 56.88 1n12 s SER 89 Cb -0.13 -0.69 0.12 0.00 -1.71 0.00 0.00 66.02 63.61 1n12 s SER 89 CO 0.52 0.22 0.16 0.21 1.20 0.00 0.00 173.24 175.56 1n12 s ASN 90 N -1.77 4.05 -1.57 5.45 3.84 0.14 -3.07 114.94 122.01 1n12 s ASN 90 Ca 0.17 -2.30 -0.14 0.00 0.21 0.00 0.00 52.86 50.81 1n12 s ASN 90 Cb -0.11 -1.17 0.10 0.00 -0.55 0.00 0.00 41.25 39.52 1n12 s ASN 90 CO 0.08 -0.33 0.89 0.00 -2.79 0.00 0.00 177.10 174.96 1n12 n ALA 91 N 4.01 -1.35 0.00 1.71 0.00 -1.26 -0.75 120.51 122.88 1n12 n ALA 91 Ca 0.04 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1n12 n ALA 91 Cb 0.38 -3.96 0.00 0.00 0.00 0.00 0.00 19.45 15.86 1n12 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n12 n GLY 92 N -1.62 1.81 3.89 0.00 0.00 -1.26 -5.04 105.19 102.97 1n12 n GLY 92 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1n12 n GLY 92 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n12 s ASN 93 N -2.39 6.48 0.30 1.61 -0.87 0.07 -5.04 114.94 115.09 1n12 s ASN 93 Ca 0.00 0.53 -0.30 0.00 -1.57 0.00 0.00 52.86 51.52 1n12 s ASN 93 Cb 0.00 -2.08 -0.12 0.00 -0.02 0.00 0.00 41.25 39.03 1n12 s ASN 93 CO 0.00 0.26 1.53 0.00 -2.57 0.00 0.00 177.10 176.32 1n12 n ILE 94 N 1.11 1.18 -0.77 0.60 3.06 -1.26 0.24 119.36 123.52 1n12 n ILE 94 Ca -0.11 -0.30 0.00 0.00 -2.50 0.00 0.00 62.75 59.84 1n12 n ILE 94 Cb 0.53 -1.86 0.00 0.00 0.54 0.00 0.00 39.64 38.85 1n12 n ILE 94 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1n12 n GLY 95 N 1.88 4.31 3.74 4.50 0.00 0.80 -4.65 105.19 115.77 1n12 n GLY 95 Ca 0.08 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 1n12 n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n12 s THR 96 N 3.38 2.60 0.58 2.61 2.01 -1.26 -4.49 115.64 121.07 1n12 s THR 96 Ca 0.00 0.49 -0.20 0.00 0.31 0.00 0.00 61.69 62.29 1n12 s THR 96 Cb 0.00 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1n12 s THR 96 CO 0.00 0.07 1.26 0.00 -0.69 0.00 0.00 174.62 175.27 1n12 n ALA 97 N 2.50 1.18 -2.69 7.40 0.00 -1.26 -0.38 120.51 127.25 1n12 n ALA 97 Ca 0.08 0.07 -0.37 0.00 0.00 0.00 0.00 53.44 53.22 1n12 n ALA 97 Cb 0.40 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.48 1n12 n ALA 97 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1n12 s ILE 98 N -1.35 5.26 -0.21 0.00 1.01 0.43 -4.75 121.20 121.59 1n12 s ILE 98 Ca 0.75 0.62 -0.19 0.00 0.00 0.00 0.00 60.65 61.83 1n12 s ILE 98 Cb -0.41 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1n12 s ILE 98 CO 0.46 0.45 0.56 -0.89 0.00 0.00 0.00 174.94 175.52 1n12 s THR 99 N -0.01 5.07 0.09 2.92 2.01 -1.26 -4.77 115.64 119.69 1n12 s THR 99 Ca 0.19 1.02 -0.31 0.00 0.31 0.00 0.00 61.69 62.90 1n12 s THR 99 Cb -0.14 -3.87 -0.08 0.00 0.01 0.00 0.00 72.50 68.42 1n12 s THR 99 CO 0.07 0.14 1.52 -0.76 -0.69 0.00 0.00 174.62 174.89 1n12 s LEU 100 N 1.85 4.36 0.00 4.42 1.43 -1.26 -2.86 118.68 126.62 1n12 s LEU 100 Ca 0.25 2.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 1n12 s LEU 100 Cb -0.16 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1n12 s LEU 100 CO 0.10 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.51 1n12 n GLY 101 N 3.74 0.49 3.30 -3.19 0.00 0.16 -4.98 105.19 104.72 1n12 n GLY 101 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1n12 n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n12 s THR 102 N -2.20 2.01 0.67 2.61 -4.23 -1.13 -4.95 115.64 108.42 1n12 s THR 102 Ca 0.00 -1.09 -0.16 0.00 -1.18 0.00 0.00 61.69 59.26 1n12 s THR 102 Cb 0.00 -1.67 0.01 0.00 1.34 0.00 0.00 72.50 72.18 1n12 s THR 102 CO 0.00 0.56 1.16 -2.16 -0.54 0.00 0.00 174.62 173.64 1n12 s PRO 103 N -0.61 2.58 0.05 3.99 0.04 -1.26 -4.58 135.00 135.22 1n12 s PRO 103 Ca 0.10 1.60 -0.16 0.00 0.04 0.00 0.00 61.00 62.57 1n12 s PRO 103 Cb -0.10 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.57 1n12 s PRO 103 CO -0.01 -1.46 0.38 -0.59 0.04 0.00 0.00 177.00 175.36 1n12 s PHE 104 N -2.08 -0.21 -0.31 0.56 -0.12 -0.10 -4.89 117.98 110.84 1n12 s PHE 104 Ca 0.71 0.10 -0.12 0.00 -0.05 0.00 0.00 56.93 57.57 1n12 s PHE 104 Cb -0.25 0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.29 1n12 s PHE 104 CO 0.41 -0.57 0.24 0.99 -0.05 0.00 0.00 175.22 176.25 1n12 s THR 105 N -2.66 5.27 0.21 -4.49 2.01 -1.26 -0.23 115.64 114.49 1n12 s THR 105 Ca -0.04 0.07 -0.32 0.00 0.31 0.00 0.00 61.69 61.70 1n12 s THR 105 Cb -0.00 -3.64 -0.13 0.00 0.01 0.00 0.00 72.50 68.73 1n12 s THR 105 CO -0.04 0.12 1.52 -2.65 -0.69 0.00 0.00 174.62 172.88 1n12 n PRO 106 N 5.14 2.22 0.12 4.92 -0.02 -1.26 -4.89 135.00 141.22 1n12 n PRO 106 Ca -0.12 0.79 0.13 0.00 -2.02 0.00 0.00 63.50 62.28 1n12 n PRO 106 Cb 0.51 -2.52 0.33 0.00 -0.02 0.00 0.00 33.50 31.80 1n12 n PRO 106 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1n12 h GLY 107 N 5.16 0.00 -7.23 -1.23 0.00 -1.84 -3.42 103.07 94.51 1n12 h GLY 107 Ca -0.45 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.36 1n12 h GLY 107 CO 0.83 0.00 -0.77 1.25 0.00 0.00 0.00 176.54 177.85 1n12 s LYS 108 N -3.13 0.82 -0.05 4.80 2.20 -1.25 -4.21 119.74 118.92 1n12 s LYS 108 Ca 0.09 -0.39 0.01 0.00 -0.36 0.00 0.00 55.97 55.32 1n12 s LYS 108 Cb 0.11 -1.96 0.02 0.00 -1.51 0.00 0.00 37.83 34.49 1n12 s LYS 108 CO 0.63 -0.56 -0.06 0.42 -0.36 0.00 0.00 175.35 175.42 1n12 s ILE 109 N 1.81 0.67 0.27 5.43 1.01 -1.26 -2.01 121.20 127.12 1n12 s ILE 109 Ca -0.00 -0.19 0.11 0.00 0.00 0.00 0.00 60.65 60.57 1n12 s ILE 109 Cb -0.16 -0.67 -0.05 0.00 0.01 0.00 0.00 42.46 41.59 1n12 s ILE 109 CO -0.07 0.26 -0.15 0.42 0.00 0.00 0.00 174.94 175.39 1n12 s THR 110 N 0.93 2.73 0.00 2.92 -4.23 0.79 -4.95 115.64 113.82 1n12 s THR 110 Ca -0.11 -2.27 0.00 0.00 -1.18 0.00 0.00 61.69 58.14 1n12 s THR 110 Cb -0.14 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.26 1n12 s THR 110 CO 0.00 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 1n12 n GLY 111 N -0.66 2.17 0.11 3.99 0.00 -1.26 -1.28 105.19 108.26 1n12 n GLY 111 Ca -0.06 -1.18 0.07 0.00 0.00 0.00 0.00 46.02 44.85 1n12 n GLY 111 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1n12 h ASN 112 N 0.00 0.00 0.00 1.61 2.35 -1.97 -3.46 115.58 114.11 1n12 h ASN 112 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1n12 h ASN 112 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1n12 h ASN 112 CO 0.00 0.22 0.00 0.59 -1.65 0.00 0.00 177.43 176.59 1n12 n ASN 113 N -2.78 0.00 0.09 5.81 3.02 -1.26 -5.00 115.26 115.14 1n12 n ASN 113 Ca -0.03 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1n12 n ASN 113 Cb 0.66 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.79 1n12 n ASN 113 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n12 h ALA 114 N -1.07 0.63 -1.75 5.41 0.00 -1.92 -3.44 119.26 117.13 1n12 h ALA 114 Ca 0.00 -0.68 -0.60 0.00 0.00 0.00 0.00 54.91 53.63 1n12 h ALA 114 Cb 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.73 1n12 h ALA 114 CO 0.00 0.84 0.67 -0.51 0.00 0.00 0.00 179.25 180.25 1n12 s ASP 115 N -6.26 6.36 0.14 0.00 1.01 -1.26 -0.63 116.67 116.03 1n12 s ASP 115 Ca 0.01 -0.27 0.04 0.00 0.71 0.00 0.00 52.55 53.05 1n12 s ASP 115 Cb 0.08 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 1n12 s ASP 115 CO 0.78 -1.30 0.13 -0.54 0.21 0.00 0.00 175.17 174.45 1n12 s LYS 116 N 4.21 2.93 -0.04 8.23 -0.14 -1.26 -4.39 119.74 129.27 1n12 s LYS 116 Ca 0.33 -0.81 -0.00 0.00 -1.36 0.00 0.00 55.97 54.13 1n12 s LYS 116 Cb -0.11 -2.69 0.03 0.00 -1.68 0.00 0.00 37.83 33.38 1n12 s LYS 116 CO 0.20 0.51 -0.00 0.99 -0.76 0.00 0.00 175.35 176.29 1n12 s THR 117 N -1.65 0.25 0.14 2.17 2.01 -0.41 -4.45 115.64 113.70 1n12 s THR 117 Ca 0.31 0.09 0.09 0.00 0.31 0.00 0.00 61.69 62.49 1n12 s THR 117 Cb -0.11 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 1n12 s THR 117 CO 0.23 0.18 -0.14 0.27 -0.69 0.00 0.00 174.62 174.48 1n12 s ILE 118 N 1.29 3.02 -0.09 1.82 -4.36 -0.35 -0.15 121.20 122.38 1n12 s ILE 118 Ca -0.06 -1.57 0.01 0.00 -0.26 0.00 0.00 60.65 58.78 1n12 s ILE 118 Cb -0.13 -2.44 -0.02 0.00 1.25 0.00 0.00 42.46 41.12 1n12 s ILE 118 CO -0.02 0.01 -0.11 -0.44 0.24 0.00 0.00 174.94 174.62 1n12 s SER 119 N -2.45 4.29 0.27 4.36 0.01 -0.85 -1.37 113.70 117.95 1n12 s SER 119 Ca 0.21 -0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.32 1n12 s SER 119 Cb -0.10 -1.23 -0.04 0.00 0.21 0.00 0.00 66.02 64.86 1n12 s SER 119 CO 0.13 0.29 0.14 -0.76 0.41 0.00 0.00 173.24 173.44 1n12 s LEU 120 N -0.36 1.55 0.06 2.44 1.43 -0.12 -3.95 118.68 119.74 1n12 s LEU 120 Ca 0.04 -1.47 0.06 0.00 -1.03 0.00 0.00 54.13 51.73 1n12 s LEU 120 Cb -0.12 0.20 -0.03 0.00 0.03 0.00 0.00 46.19 46.27 1n12 s LEU 120 CO 0.02 -0.83 -0.16 -1.00 0.23 0.00 0.00 176.35 174.61 1n12 s HIS 121 N -3.77 1.37 0.04 0.29 3.76 -0.35 -0.73 115.29 115.90 1n12 s HIS 121 Ca 0.37 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.91 1n12 s HIS 121 Cb 0.06 -0.79 -0.02 0.00 1.11 0.00 0.00 32.58 32.94 1n12 s HIS 121 CO 0.15 0.08 -0.09 0.00 -0.85 0.00 0.00 174.74 174.03 1n12 s ALA 122 N -1.04 0.69 0.06 -1.40 0.00 0.25 -0.48 121.76 119.83 1n12 s ALA 122 Ca 0.02 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1n12 s ALA 122 Cb -0.09 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1n12 s ALA 122 CO 0.02 0.03 -0.09 0.15 0.00 0.00 0.00 175.76 175.88 1n12 s LYS 123 N -1.47 0.62 -0.16 0.00 1.02 -0.29 -0.31 119.74 119.14 1n12 s LYS 123 Ca -0.07 -0.87 -0.06 0.00 0.02 0.00 0.00 55.97 54.99 1n12 s LYS 123 Cb -0.09 -0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 36.82 1n12 s LYS 123 CO 0.01 0.06 0.04 -0.51 -0.92 0.00 0.00 175.35 174.03 1n12 s LEU 124 N -1.82 3.73 0.00 3.17 1.43 0.01 -0.87 118.68 124.33 1n12 s LEU 124 Ca -0.06 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1n12 s LEU 124 Cb -0.08 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.22 1n12 s LEU 124 CO 0.00 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1n12 n GLY 125 N 3.19 4.62 3.39 -3.19 0.00 0.74 -0.86 105.19 113.09 1n12 n GLY 125 Ca -0.17 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 1n12 n GLY 125 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1n12 s TYR 126 N -1.52 -0.44 -0.07 1.61 -0.85 -1.05 -0.36 117.35 114.66 1n12 s TYR 126 Ca 0.00 0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.87 1n12 s TYR 126 Cb 0.00 0.42 -0.03 0.00 0.38 0.00 0.00 41.96 42.73 1n12 s TYR 126 CO 0.00 -0.74 -0.06 0.21 -1.52 0.00 0.00 175.55 173.44 1n12 s LYS 127 N -3.25 2.80 2.53 -3.49 2.20 0.64 -4.75 119.74 116.42 1n12 s LYS 127 Ca -0.01 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 1n12 s LYS 127 Cb -0.00 -2.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 1n12 s LYS 127 CO -0.08 0.66 0.00 0.41 -0.36 0.00 0.00 175.35 175.98 1n12 n GLY 128 N 2.25 -0.39 0.00 5.54 0.00 -1.26 -2.49 105.19 108.84 1n12 n GLY 128 Ca -0.18 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1n12 n GLY 128 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n12 n ASN 129 N 0.83 0.00 0.00 1.61 3.02 -1.26 -5.04 115.26 114.42 1n12 n ASN 129 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1n12 n ASN 129 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1n12 n ASN 129 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n12 n GLN 131 N 0.00 0.00 0.00 3.52 1.13 -1.26 -3.91 117.38 116.87 1n12 n GLN 131 Ca 0.00 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.18 1n12 n GLN 131 Cb 0.00 -0.13 0.11 0.00 0.11 0.00 0.00 30.24 30.33 1n12 n GLN 131 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1n12 n ASN 132 N 0.00 1.74 -4.74 1.08 4.13 -1.26 -4.95 115.26 111.27 1n12 n ASN 132 Ca 0.00 -1.34 -0.42 0.00 1.68 0.00 0.00 54.58 54.50 1n12 n ASN 132 Cb 0.00 0.38 -0.03 0.00 -1.54 0.00 0.00 39.78 38.59 1n12 n ASN 132 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1n12 s LEU 133 N -2.48 4.38 -0.16 3.41 1.43 -1.25 -4.53 118.68 119.48 1n12 s LEU 133 Ca 0.20 2.59 -0.18 0.00 -1.03 0.00 0.00 54.13 55.71 1n12 s LEU 133 Cb 0.18 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1n12 s LEU 133 CO 0.56 -0.70 0.51 -0.63 0.23 0.00 0.00 176.35 176.31 1n12 s ILE 134 N 0.36 5.14 0.60 -0.59 1.01 0.41 -4.97 121.20 123.17 1n12 s ILE 134 Ca 0.62 0.97 -0.14 0.00 0.00 0.00 0.00 60.65 62.10 1n12 s ILE 134 Cb -0.41 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 1n12 s ILE 134 CO 0.39 0.24 1.04 0.00 0.00 0.00 0.00 174.94 176.61 1n12 s ALA 135 N 1.19 2.82 0.00 9.38 0.00 -1.26 -4.80 121.76 129.09 1n12 s ALA 135 Ca 0.25 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1n12 s ALA 135 Cb -0.15 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1n12 s ALA 135 CO 0.10 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.49 1n12 n GLY 136 N -1.50 0.42 3.76 0.00 0.00 -1.26 -5.06 105.19 101.55 1n12 n GLY 136 Ca 0.08 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.42 1n12 n GLY 136 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1n12 s PRO 137 N -0.38 4.19 0.04 1.61 0.02 -1.26 -5.03 135.00 134.18 1n12 s PRO 137 Ca 0.00 2.46 0.03 0.00 0.02 0.00 0.00 61.00 63.51 1n12 s PRO 137 Cb 0.00 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.46 1n12 s PRO 137 CO 0.00 -0.50 -0.10 -0.59 -0.33 0.00 0.00 177.00 175.49 1n12 s PHE 138 N -0.37 0.83 -0.11 6.54 -0.12 -1.26 -5.00 117.98 118.49 1n12 s PHE 138 Ca 0.58 -0.41 -0.25 0.00 -0.05 0.00 0.00 56.93 56.80 1n12 s PHE 138 Cb -0.45 -0.49 0.06 0.00 -0.63 0.00 0.00 43.02 41.51 1n12 s PHE 138 CO 0.50 -0.03 0.61 0.45 -0.05 0.00 0.00 175.22 176.70 1n12 s SER 139 N -1.34 -0.58 0.06 1.98 0.15 -1.26 -5.11 113.70 107.59 1n12 s SER 139 Ca -0.05 0.80 -0.14 0.00 0.70 0.00 0.00 55.95 57.26 1n12 s SER 139 Cb -0.09 0.75 0.02 0.00 -1.71 0.00 0.00 66.02 65.00 1n12 s SER 139 CO 0.01 -0.45 0.32 0.00 1.20 0.00 0.00 173.24 174.31 1n12 s ALA 140 N -0.70 -0.71 0.01 5.45 0.00 -1.26 -4.43 121.76 120.12 1n12 s ALA 140 Ca -0.08 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 51.91 1n12 s ALA 140 Cb -0.02 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 1n12 s ALA 140 CO 0.06 -0.45 -0.12 0.99 0.00 0.00 0.00 175.76 176.24 1n12 s THR 141 N -2.80 0.91 0.12 0.00 2.01 -1.26 -5.08 115.64 109.55 1n12 s THR 141 Ca -0.03 -0.70 0.08 0.00 0.31 0.00 0.00 61.69 61.34 1n12 s THR 141 Cb -0.00 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1n12 s THR 141 CO -0.05 0.10 -0.18 0.00 -0.69 0.00 0.00 174.62 173.80 1n12 s ALA 142 N -0.56 1.76 -0.11 7.40 0.00 -1.26 -4.61 121.76 124.38 1n12 s ALA 142 Ca 0.02 -1.31 -0.06 0.00 0.00 0.00 0.00 51.96 50.61 1n12 s ALA 142 Cb -0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1n12 s ALA 142 CO 0.00 0.25 0.11 0.99 0.00 0.00 0.00 175.76 177.11 1n12 s THR 143 N -1.65 5.20 -0.07 0.00 2.01 0.55 -4.94 115.64 116.74 1n12 s THR 143 Ca 0.09 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.18 1n12 s THR 143 Cb -0.08 -3.26 0.02 0.00 0.01 0.00 0.00 72.50 69.20 1n12 s THR 143 CO 0.05 0.61 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.29 1n12 s LEU 144 N -1.03 1.29 0.09 4.42 0.20 -1.26 -1.09 118.68 121.30 1n12 s LEU 144 Ca 0.15 -0.22 0.10 0.00 0.69 0.00 0.00 54.13 54.85 1n12 s LEU 144 Cb -0.12 -0.66 -0.03 0.00 -0.43 0.00 0.00 46.19 44.95 1n12 s LEU 144 CO 0.04 -0.06 -0.26 0.68 -0.29 0.00 0.00 176.35 176.46 1n12 s VAL 145 N 1.17 2.11 -0.05 1.68 -7.23 -0.53 -4.87 120.40 112.68 1n12 s VAL 145 Ca -0.06 -1.55 -0.08 0.00 -1.81 0.00 0.00 61.98 58.47 1n12 s VAL 145 Cb -0.14 -1.84 0.02 0.00 0.56 0.00 0.00 36.38 34.97 1n12 s VAL 145 CO -0.02 0.19 0.21 0.00 -0.31 0.00 0.00 175.10 175.17 1n12 s ALA 146 N -0.95 -0.51 -0.12 1.32 0.00 -1.26 -1.29 121.76 118.95 1n12 s ALA 146 Ca 0.12 0.38 -0.29 0.00 0.00 0.00 0.00 51.96 52.16 1n12 s ALA 146 Cb -0.10 -0.18 0.07 0.00 0.00 0.00 0.00 23.12 22.92 1n12 s ALA 146 CO 0.04 -0.15 0.72 -1.54 0.00 0.00 0.00 175.76 174.82 1n12 s SER 147 N -0.47 -0.66 0.03 0.00 1.04 -0.97 -0.36 113.70 112.31 1n12 s SER 147 Ca -0.06 0.88 -0.26 0.00 0.48 0.00 0.00 55.95 57.00 1n12 s SER 147 Cb -0.04 0.76 -0.05 0.00 0.10 0.00 0.00 66.02 66.79 1n12 s SER 147 CO 0.01 -0.50 0.79 -0.31 0.98 0.00 0.00 173.24 174.22 1n12 s TYR 148 N -0.77 3.72 0.00 5.02 1.51 -1.26 -1.34 117.35 124.22 1n12 s TYR 148 Ca -0.07 1.50 0.00 0.00 -1.01 0.00 0.00 57.07 57.48 1n12 s TYR 148 Cb -0.01 -2.87 0.00 0.00 -0.11 0.00 0.00 41.96 38.97 1n12 s TYR 148 CO 0.07 0.22 0.00 0.43 -1.11 0.00 0.00 175.55 175.16