#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ro0 n SER -1 N 0.00 -1.80 -4.73 1.61 7.64 -1.26 -4.95 113.62 110.13 2ro0 n SER -1 Ca 0.00 -0.68 -0.41 0.00 1.01 0.00 0.00 58.87 58.79 2ro0 n SER -1 Cb 0.00 -4.77 -0.05 0.00 -1.01 0.00 0.00 64.21 58.38 2ro0 n SER -1 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2ro0 s HIS 0 N -3.46 3.84 -0.29 1.43 -3.43 -1.26 -4.95 115.29 107.17 2ro0 s HIS 0 Ca 0.01 1.81 -0.29 0.00 -0.80 0.00 0.00 55.06 55.79 2ro0 s HIS 0 Cb -0.00 -3.05 -0.07 0.00 -1.43 0.00 0.00 32.58 28.03 2ro0 s HIS 0 CO 0.76 0.22 2.26 -1.33 -2.00 0.00 0.00 174.74 174.64 2ro0 n MET 1 N 2.51 1.64 -0.56 -0.38 0.00 -1.26 -4.93 117.12 114.15 2ro0 n MET 1 Ca 0.01 0.41 -0.30 0.00 0.00 0.00 0.00 57.70 57.82 2ro0 n MET 1 Cb 0.49 -3.11 0.22 0.00 0.00 0.00 0.00 33.22 30.82 2ro0 n MET 1 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2ro0 n SER 2 N 11.98 -1.87 -4.05 7.83 2.88 -1.26 -5.02 113.62 124.11 2ro0 n SER 2 Ca 0.34 -0.10 -0.28 0.00 -1.33 0.00 0.00 58.87 57.49 2ro0 n SER 2 Cb 0.42 -1.17 -0.17 0.00 -0.75 0.00 0.00 64.21 62.54 2ro0 n SER 2 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2ro0 s HIS 3 N -2.36 1.91 0.32 0.66 2.46 -1.26 -5.13 115.29 111.89 2ro0 s HIS 3 Ca 0.64 -0.87 0.04 0.00 0.47 0.00 0.00 55.06 55.34 2ro0 s HIS 3 Cb -0.21 -1.38 -0.03 0.00 -0.13 0.00 0.00 32.58 30.83 2ro0 s HIS 3 CO 0.65 -0.45 0.17 -0.51 -2.47 0.00 0.00 174.74 172.13 2ro0 s ASP 4 N 0.95 1.73 0.38 9.88 1.01 -1.26 -5.08 116.67 124.27 2ro0 s ASP 4 Ca -0.08 -1.60 0.00 0.00 0.71 0.00 0.00 52.55 51.58 2ro0 s ASP 4 Cb -0.15 0.42 0.00 0.00 1.01 0.00 0.00 42.92 44.20 2ro0 s ASP 4 CO -0.01 -0.91 0.00 0.61 0.21 0.00 0.00 175.17 175.07 2ro0 n GLY 5 N -0.63 -1.73 2.93 0.21 0.00 -1.26 -5.05 105.19 99.66 2ro0 n GLY 5 Ca 0.01 0.42 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 2ro0 n GLY 5 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ro0 n LYS 6 N -3.37 1.99 -2.79 1.61 5.02 -1.26 -5.09 118.16 114.28 2ro0 n LYS 6 Ca 0.00 -4.50 -0.25 0.00 -2.02 0.00 0.00 58.31 51.55 2ro0 n LYS 6 Cb 0.00 -2.31 0.01 0.00 -0.02 0.00 0.00 35.03 32.71 2ro0 n LYS 6 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2ro0 s GLU 7 N -1.48 3.10 0.14 1.97 1.03 -1.26 -5.12 118.70 117.08 2ro0 s GLU 7 Ca 0.26 -0.25 0.04 0.00 0.03 0.00 0.00 54.97 55.04 2ro0 s GLU 7 Cb -0.04 -2.46 -0.04 0.00 -0.80 0.00 0.00 34.13 30.79 2ro0 s GLU 7 CO -0.16 -0.37 -0.08 -1.21 -1.33 0.00 0.00 175.26 172.11 2ro0 s GLU 8 N -4.70 1.02 0.99 -4.83 2.02 -1.26 -5.16 118.70 106.78 2ro0 s GLU 8 Ca 0.49 -1.44 -0.17 0.00 0.02 0.00 0.00 54.97 53.88 2ro0 s GLU 8 Cb -0.10 -0.49 0.25 0.00 0.10 0.00 0.00 34.13 33.88 2ro0 s GLU 8 CO 0.41 0.03 0.88 -0.35 0.02 0.00 0.00 175.26 176.25 2ro0 n PRO 9 N -0.17 -2.74 0.00 0.39 -0.04 -1.26 -5.01 135.00 126.17 2ro0 n PRO 9 Ca -0.10 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 2ro0 n PRO 9 Cb 0.61 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 2ro0 n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ro0 n GLY 10 N -3.36 1.57 3.64 0.55 0.00 -1.26 -5.08 105.19 101.26 2ro0 n GLY 10 Ca 0.12 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 2ro0 n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ro0 s ILE 11 N 0.00 5.34 -0.30 -0.61 1.09 -1.04 -4.98 121.20 120.71 2ro0 s ILE 11 Ca 0.00 0.18 -0.08 0.00 -1.10 0.00 0.00 60.65 59.65 2ro0 s ILE 11 Cb 0.00 -3.51 0.00 0.00 -1.06 0.00 0.00 42.46 37.89 2ro0 s ILE 11 CO 0.00 0.31 0.11 0.00 -0.10 0.00 0.00 174.94 175.27 2ro0 s ALA 12 N 1.28 3.16 0.02 9.38 0.00 -1.26 -1.39 121.76 132.94 2ro0 s ALA 12 Ca 0.07 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.61 2ro0 s ALA 12 Cb -0.14 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.71 2ro0 s ALA 12 CO 0.07 -0.92 -0.04 -1.59 0.00 0.00 0.00 175.76 173.27 2ro0 s LYS 13 N 1.55 0.31 -0.29 0.00 -2.85 -0.51 -4.93 119.74 113.02 2ro0 s LYS 13 Ca 0.03 -0.40 -0.12 0.00 -1.00 0.00 0.00 55.97 54.49 2ro0 s LYS 13 Cb -0.17 -0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 35.42 2ro0 s LYS 13 CO 0.04 0.03 0.21 0.15 0.10 0.00 0.00 175.35 175.88 2ro0 s LYS 14 N -0.82 3.88 0.35 1.78 1.02 -1.26 -0.04 119.74 124.65 2ro0 s LYS 14 Ca -0.06 -0.35 0.08 0.00 0.02 0.00 0.00 55.97 55.66 2ro0 s LYS 14 Cb -0.06 -3.68 -0.05 0.00 -0.52 0.00 0.00 37.83 33.52 2ro0 s LYS 14 CO -0.00 -0.23 0.11 0.96 -0.92 0.00 0.00 175.35 175.27 2ro0 s ILE 15 N 1.78 2.81 -0.06 2.17 -4.36 -1.26 -4.99 121.20 117.28 2ro0 s ILE 15 Ca 0.08 -1.77 0.09 0.00 -0.26 0.00 0.00 60.65 58.79 2ro0 s ILE 15 Cb -0.16 -2.93 0.14 0.00 1.25 0.00 0.00 42.46 40.75 2ro0 s ILE 15 CO 0.11 -0.16 1.06 0.59 0.24 0.00 0.00 174.94 176.78 2ro0 n ASN 16 N -1.11 1.18 -3.82 4.36 3.02 -1.26 -4.83 115.26 112.80 2ro0 n ASN 16 Ca -0.03 -2.49 -0.13 0.00 -0.03 0.00 0.00 54.58 51.90 2ro0 n ASN 16 Cb 0.62 -0.30 -0.15 0.00 -0.61 0.00 0.00 39.78 39.34 2ro0 n ASN 16 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2ro0 s SER 17 N -1.86 0.02 0.28 6.41 0.01 -1.26 -5.02 113.70 112.28 2ro0 s SER 17 Ca 0.15 0.04 0.26 0.00 1.31 0.00 0.00 55.95 57.71 2ro0 s SER 17 Cb 0.13 -0.02 0.80 0.00 0.21 0.00 0.00 66.02 67.14 2ro0 s SER 17 CO 0.01 -0.07 1.75 -0.37 0.41 0.00 0.00 173.24 174.98 2ro0 h VAL 18 N 5.71 0.00 -0.73 3.43 -1.51 -1.98 -3.21 116.25 117.95 2ro0 h VAL 18 Ca -0.35 -0.52 -0.03 0.00 -1.23 0.00 0.00 66.70 64.57 2ro0 h VAL 18 Cb 1.17 1.47 -0.03 0.00 -2.13 0.00 0.00 31.29 31.76 2ro0 h VAL 18 CO 0.49 0.00 0.34 -0.78 -1.23 0.00 0.00 177.57 176.39 2ro0 h ASP 19 N 0.00 0.95 -0.28 4.19 3.58 -2.04 -3.10 116.42 119.72 2ro0 h ASP 19 Ca 0.00 -0.11 -0.50 0.00 0.42 0.00 0.00 57.03 56.84 2ro0 h ASP 19 Cb 0.70 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 41.46 2ro0 h ASP 19 CO 0.00 0.81 1.86 0.47 -2.88 0.00 0.00 179.24 179.50 2ro0 n ASP 20 N -4.32 7.25 -4.18 2.28 9.92 -1.21 -4.86 116.55 121.42 2ro0 n ASP 20 Ca 0.07 -2.69 -0.23 0.00 -0.53 0.00 0.00 54.79 51.41 2ro0 n ASP 20 Cb 0.14 -1.45 -0.14 0.00 -0.64 0.00 0.00 41.12 39.03 2ro0 n ASP 20 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2ro0 s ILE 21 N 0.83 1.35 0.36 0.53 1.01 -1.17 -5.03 121.20 119.08 2ro0 s ILE 21 Ca 0.66 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 60.42 2ro0 s ILE 21 Cb 0.25 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.54 2ro0 s ILE 21 CO -0.06 0.22 0.12 2.30 0.00 0.00 0.00 174.94 177.52 2ro0 n ILE 22 N 2.23 0.00 0.19 2.92 -5.35 -1.26 -5.02 119.36 113.07 2ro0 n ILE 22 Ca -0.16 -2.06 0.06 0.00 -0.27 0.00 0.00 62.75 60.32 2ro0 n ILE 22 Cb 0.54 0.71 0.31 0.00 -1.74 0.00 0.00 39.64 39.46 2ro0 n ILE 22 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2ro0 h ILE 23 N 1.55 0.83 -0.25 7.28 5.03 -1.86 -2.76 117.51 127.34 2ro0 h ILE 23 Ca -0.28 -1.56 0.00 0.00 -0.12 0.00 0.00 64.86 62.90 2ro0 h ILE 23 Cb 1.05 1.98 0.00 0.00 -3.03 0.00 0.00 36.82 36.82 2ro0 h ILE 23 CO 0.45 0.36 0.00 0.29 -0.68 0.00 0.00 178.15 178.57 2ro0 n LYS 24 N -3.47 2.08 -3.14 2.37 4.76 -1.26 -4.27 118.16 115.23 2ro0 n LYS 24 Ca 0.00 -1.62 -0.39 0.00 -2.87 0.00 0.00 58.31 53.43 2ro0 n LYS 24 Cb 0.53 -1.45 -0.06 0.00 -1.84 0.00 0.00 35.03 32.21 2ro0 n LYS 24 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ro0 s GLN 26 N -0.91 2.66 0.05 0.00 -0.21 -0.53 -1.18 119.66 119.54 2ro0 s GLN 26 Ca 0.32 -0.75 0.01 0.00 0.02 0.00 0.00 55.36 54.97 2ro0 s GLN 26 Cb -0.21 -2.05 -0.00 0.00 1.00 0.00 0.00 33.01 31.75 2ro0 s GLN 26 CO 0.22 0.13 0.02 0.00 -2.12 0.00 0.00 175.29 173.54 2ro0 s TRP 28 N -1.88 2.61 0.08 0.00 0.52 -1.26 0.01 118.94 119.02 2ro0 s TRP 28 Ca 0.03 -0.23 0.10 0.00 0.02 0.00 0.00 56.10 56.03 2ro0 s TRP 28 Cb 0.00 -1.59 -0.03 0.00 -1.15 0.00 0.00 33.47 30.69 2ro0 s TRP 28 CO 0.02 0.13 -0.26 0.08 0.02 0.00 0.00 176.95 176.95 2ro0 s VAL 29 N -0.71 2.25 -0.32 4.03 1.01 -0.09 -0.67 120.40 125.91 2ro0 s VAL 29 Ca 0.11 -1.54 -0.25 0.00 0.00 0.00 0.00 61.98 60.29 2ro0 s VAL 29 Cb -0.10 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.35 2ro0 s VAL 29 CO 0.00 0.24 0.88 -1.58 0.00 0.00 0.00 175.10 174.64 2ro0 s GLN 30 N -1.63 3.98 -0.05 2.72 0.74 -1.26 -1.42 119.66 122.74 2ro0 s GLN 30 Ca 0.13 0.72 -0.03 0.00 0.05 0.00 0.00 55.36 56.23 2ro0 s GLN 30 Cb -0.10 -3.74 0.02 0.00 1.10 0.00 0.00 33.01 30.29 2ro0 s GLN 30 CO 0.04 -0.77 0.12 0.21 -0.55 0.00 0.00 175.29 174.34 2ro0 s LYS 31 N 3.19 0.11 -1.30 1.67 2.47 0.91 -4.89 119.74 121.89 2ro0 s LYS 31 Ca 0.37 0.22 -0.01 0.00 -1.56 0.00 0.00 55.97 54.99 2ro0 s LYS 31 Cb -0.13 -0.03 -0.00 0.00 -1.46 0.00 0.00 37.83 36.20 2ro0 s LYS 31 CO 0.14 -0.07 0.67 0.09 0.16 0.00 0.00 175.35 176.34 2ro0 n ASN 32 N 3.46 -1.34 -2.16 1.43 3.02 -1.26 -0.59 115.26 117.82 2ro0 n ASN 32 Ca -0.18 -0.85 -0.13 0.00 -0.03 0.00 0.00 54.58 53.40 2ro0 n ASN 32 Cb 0.56 -3.94 -0.02 0.00 -0.61 0.00 0.00 39.78 35.78 2ro0 n ASN 32 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2ro0 n ASP 33 N -3.04 -3.92 -3.19 6.41 9.92 -1.26 -4.90 116.55 116.57 2ro0 n ASP 33 Ca -0.29 0.22 -0.19 0.00 -0.53 0.00 0.00 54.79 54.00 2ro0 n ASP 33 Cb 0.67 -3.41 -0.08 0.00 -0.64 0.00 0.00 41.12 37.67 2ro0 n ASP 33 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2ro0 n GLU 34 N -2.57 0.41 -4.26 -1.24 -0.58 0.24 -5.16 120.64 107.48 2ro0 n GLU 34 Ca -0.15 -3.27 -0.29 0.00 -0.42 0.00 0.00 57.16 53.03 2ro0 n GLU 34 Cb 0.57 2.69 -0.17 0.00 -0.57 0.00 0.00 31.44 33.97 2ro0 n GLU 34 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2ro0 s GLU 35 N -3.33 2.19 0.27 3.49 -1.05 -1.26 -0.06 118.70 118.95 2ro0 s GLU 35 Ca 0.39 -0.54 0.12 0.00 -0.15 0.00 0.00 54.97 54.79 2ro0 s GLU 35 Cb 0.02 -1.94 -0.05 0.00 -0.44 0.00 0.00 34.13 31.72 2ro0 s GLU 35 CO 0.28 -0.14 -0.18 1.03 0.95 0.00 0.00 175.26 177.20 2ro0 s ARG 36 N 1.22 1.75 -0.45 -4.83 0.52 -0.50 -4.94 118.95 111.72 2ro0 s ARG 36 Ca -0.02 -1.72 -0.25 0.00 -0.52 0.00 0.00 55.73 53.23 2ro0 s ARG 36 Cb -0.14 -1.82 0.03 0.00 0.52 0.00 0.00 34.95 33.54 2ro0 s ARG 36 CO -0.05 0.34 0.90 -1.17 0.02 0.00 0.00 175.30 175.34 2ro0 s LEU 37 N -3.50 4.04 -0.11 2.53 2.96 -1.26 -0.91 118.68 122.44 2ro0 s LEU 37 Ca 0.30 0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 54.32 2ro0 s LEU 37 Cb -0.05 -3.17 -0.03 0.00 0.50 0.00 0.00 46.19 43.45 2ro0 s LEU 37 CO 0.15 -1.02 -0.08 0.00 -1.32 0.00 0.00 176.35 174.09 2ro0 s ALA 38 N 3.67 2.87 -0.20 5.97 0.00 0.10 -3.26 121.76 130.91 2ro0 s ALA 38 Ca 0.36 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 51.34 2ro0 s ALA 38 Cb -0.10 -1.29 -0.05 0.00 0.00 0.00 0.00 23.12 21.68 2ro0 s ALA 38 CO 0.25 0.39 0.13 -2.00 0.00 0.00 0.00 175.76 174.54 2ro0 s GLU 39 N -0.20 4.19 0.40 0.00 2.12 -0.47 -1.09 118.70 123.64 2ro0 s GLU 39 Ca 0.02 -0.21 -0.27 0.00 0.36 0.00 0.00 54.97 54.87 2ro0 s GLU 39 Cb -0.13 -3.42 -0.09 0.00 0.26 0.00 0.00 34.13 30.75 2ro0 s GLU 39 CO 0.03 0.30 1.34 0.42 -0.54 0.00 0.00 175.26 176.81 2ro0 s ILE 40 N 0.35 2.49 -0.04 -3.70 -1.09 -0.33 -1.21 121.20 117.67 2ro0 s ILE 40 Ca 0.08 0.45 0.01 0.00 -2.23 0.00 0.00 60.65 58.97 2ro0 s ILE 40 Cb -0.11 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.46 2ro0 s ILE 40 CO -0.02 0.08 -0.02 0.18 -1.23 0.00 0.00 174.94 173.93 2ro0 n LEU 41 N 0.23 2.04 -3.82 2.97 4.77 0.85 -4.50 117.00 119.53 2ro0 n LEU 41 Ca 0.03 -0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.94 2ro0 n LEU 41 Cb 0.43 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 2ro0 n LEU 41 CO 0.58 0.41 0.60 -0.55 -1.33 0.00 0.00 177.39 177.10 2ro0 s SER 42 N -4.09 -0.16 0.02 -1.43 0.15 -1.22 -4.77 113.70 102.20 2ro0 s SER 42 Ca -0.04 -0.64 0.06 0.00 0.70 0.00 0.00 55.95 56.02 2ro0 s SER 42 Cb 0.01 0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 64.95 2ro0 s SER 42 CO 0.11 -1.22 -0.17 -0.63 1.20 0.00 0.00 173.24 172.53 2ro0 s ILE 43 N -3.25 1.32 -0.31 6.45 1.01 -1.26 -1.36 121.20 123.79 2ro0 s ILE 43 Ca 0.13 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 2ro0 s ILE 43 Cb -0.04 -1.14 0.10 0.00 0.01 0.00 0.00 42.46 41.39 2ro0 s ILE 43 CO 0.06 0.20 0.12 0.21 0.00 0.00 0.00 174.94 175.53 2ro0 s ASN 44 N -0.83 3.82 -1.06 3.58 2.47 0.15 -4.97 114.94 118.10 2ro0 s ASN 44 Ca 0.05 -1.56 -0.03 0.00 0.42 0.00 0.00 52.86 51.75 2ro0 s ASN 44 Cb -0.07 -0.67 0.31 0.00 -1.45 0.00 0.00 41.25 39.37 2ro0 s ASN 44 CO 0.01 -0.42 1.67 0.35 -3.72 0.00 0.00 177.10 174.98 2ro0 n THR 45 N 4.93 5.72 -0.01 -5.21 -2.24 -1.26 -0.12 114.28 116.10 2ro0 n THR 45 Ca -0.03 -5.94 0.01 0.00 -2.27 0.00 0.00 64.05 55.82 2ro0 n THR 45 Cb 0.42 -1.82 0.02 0.00 -2.10 0.00 0.00 70.33 66.84 2ro0 n THR 45 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ro0 n ARG 46 N 0.67 2.51 -4.26 -0.78 5.12 -1.26 -5.01 116.66 113.64 2ro0 n ARG 46 Ca 0.37 -1.44 -0.18 0.00 -1.93 0.00 0.00 57.85 54.67 2ro0 n ARG 46 Cb 0.30 -1.03 -0.08 0.00 -1.16 0.00 0.00 32.46 30.48 2ro0 n ARG 46 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2ro0 s LYS 47 N -0.89 1.64 -0.23 5.56 2.47 -1.26 -5.05 119.74 121.98 2ro0 s LYS 47 Ca 0.02 -1.93 -0.04 0.00 -1.56 0.00 0.00 55.97 52.46 2ro0 s LYS 47 Cb 0.01 0.32 0.08 0.00 -1.46 0.00 0.00 37.83 36.78 2ro0 s LYS 47 CO 0.02 -0.60 0.11 0.00 0.16 0.00 0.00 175.35 175.04 2ro0 s ALA 48 N -3.59 0.50 0.90 3.13 0.00 -1.26 -2.04 121.76 119.40 2ro0 s ALA 48 Ca 0.40 -0.66 -0.12 0.00 0.00 0.00 0.00 51.96 51.59 2ro0 s ALA 48 Cb 0.03 -1.21 0.13 0.00 0.00 0.00 0.00 23.12 22.08 2ro0 s ALA 48 CO 0.24 -1.40 1.09 -1.25 0.00 0.00 0.00 175.76 174.45 2ro0 s PRO 49 N 2.13 1.19 1.12 0.00 0.04 -1.26 -5.16 135.00 133.06 2ro0 s PRO 49 Ca 0.05 0.80 -0.19 0.00 0.04 0.00 0.00 61.00 61.70 2ro0 s PRO 49 Cb -0.16 -1.80 0.28 0.00 0.04 0.00 0.00 34.50 32.85 2ro0 s PRO 49 CO -0.22 -2.28 0.99 -0.35 0.04 0.00 0.00 177.00 175.18 2ro0 n PRO 50 N -3.91 -2.95 -4.36 0.56 -0.04 -0.87 -4.96 135.00 118.48 2ro0 n PRO 50 Ca 0.07 -1.58 -0.21 0.00 -0.04 0.00 0.00 63.50 61.74 2ro0 n PRO 50 Cb 0.55 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 2ro0 n PRO 50 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2ro0 s LYS 51 N -5.25 1.37 0.03 0.54 1.02 0.83 -4.31 119.74 113.97 2ro0 s LYS 51 Ca 0.64 -1.56 0.00 0.00 0.02 0.00 0.00 55.97 55.08 2ro0 s LYS 51 Cb -0.06 -1.31 -0.02 0.00 -0.52 0.00 0.00 37.83 35.91 2ro0 s LYS 51 CO 0.49 0.24 -0.03 -0.06 -0.92 0.00 0.00 175.35 175.07 2ro0 s PHE 52 N -2.56 0.34 -0.33 3.18 0.40 -0.28 -0.67 117.98 118.07 2ro0 s PHE 52 Ca 0.21 -0.61 -0.12 0.00 -0.60 0.00 0.00 56.93 55.81 2ro0 s PHE 52 Cb -0.03 -0.24 -0.03 0.00 0.51 0.00 0.00 43.02 43.23 2ro0 s PHE 52 CO 0.08 -0.21 0.23 -0.47 0.70 0.00 0.00 175.22 175.55 2ro0 s TYR 53 N -1.85 3.23 0.19 0.36 5.04 -0.46 -0.05 117.35 123.80 2ro0 s TYR 53 Ca -0.12 -0.12 0.08 0.00 -2.44 0.00 0.00 57.07 54.48 2ro0 s TYR 53 Cb -0.07 -2.46 -0.04 0.00 0.35 0.00 0.00 41.96 39.74 2ro0 s TYR 53 CO -0.02 -0.31 -0.06 0.14 -1.34 0.00 0.00 175.55 173.96 2ro0 s VAL 54 N 1.74 3.38 -0.07 3.14 -7.23 -0.09 -0.11 120.40 121.17 2ro0 s VAL 54 Ca 0.07 -1.62 -0.03 0.00 -1.81 0.00 0.00 61.98 58.59 2ro0 s VAL 54 Cb -0.17 -2.70 0.04 0.00 0.56 0.00 0.00 36.38 34.10 2ro0 s VAL 54 CO 0.11 -0.15 0.06 -2.28 -0.31 0.00 0.00 175.10 172.53 2ro0 s HIS 55 N -1.80 0.12 -0.37 2.82 2.46 -0.35 -1.23 115.29 116.94 2ro0 s HIS 55 Ca 0.27 0.13 -0.28 0.00 0.47 0.00 0.00 55.06 55.65 2ro0 s HIS 55 Cb -0.09 -0.54 -0.03 0.00 -0.13 0.00 0.00 32.58 31.80 2ro0 s HIS 55 CO 0.17 -0.26 1.97 0.71 -2.47 0.00 0.00 174.74 174.86 2ro0 s TYR 56 N 2.15 1.56 0.52 3.88 2.02 -1.26 -1.37 117.35 124.86 2ro0 s TYR 56 Ca 0.04 0.74 0.19 0.00 -0.37 0.00 0.00 57.07 57.68 2ro0 s TYR 56 Cb -0.13 -4.02 1.36 0.00 -0.40 0.00 0.00 41.96 38.77 2ro0 s TYR 56 CO -0.04 -3.05 2.14 0.28 -1.57 0.00 0.00 175.55 173.31 2ro0 h VAL 57 N 6.99 0.89 0.00 0.71 2.07 -1.92 -0.61 116.25 124.39 2ro0 h VAL 57 Ca -0.33 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 2ro0 h VAL 57 Cb 1.19 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 2ro0 h VAL 57 CO 1.06 0.04 -0.23 -0.55 0.02 0.00 0.00 177.57 177.90 2ro0 h ASN 58 N 0.00 0.00 -4.86 0.57 7.08 -1.88 -3.45 115.58 113.03 2ro0 h ASN 58 Ca -0.00 0.00 -0.34 0.00 -3.08 0.00 0.00 56.30 52.88 2ro0 h ASN 58 Cb 0.08 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.29 2ro0 h ASN 58 CO 0.01 0.23 -0.16 -1.22 -2.08 0.00 0.00 177.43 174.21 2ro0 n TYR 59 N -3.26 -0.93 -1.98 4.14 4.01 -0.24 -5.14 117.16 113.76 2ro0 n TYR 59 Ca 0.01 -1.37 -0.29 0.00 -0.16 0.00 0.00 57.90 56.10 2ro0 n TYR 59 Cb 0.51 -0.26 0.12 0.00 -0.31 0.00 0.00 39.34 39.40 2ro0 n TYR 59 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2ro0 s ASN 60 N -2.89 4.06 0.06 7.72 0.01 -1.26 -4.81 114.94 117.83 2ro0 s ASN 60 Ca 0.18 0.52 0.15 0.00 -0.71 0.00 0.00 52.86 53.00 2ro0 s ASN 60 Cb -0.01 -0.87 0.66 0.00 0.41 0.00 0.00 41.25 41.44 2ro0 s ASN 60 CO 0.11 -2.15 1.49 0.29 -1.51 0.00 0.00 177.10 175.33 2ro0 n LYS 61 N -3.40 0.04 0.00 -0.60 4.01 -1.26 -1.92 118.16 115.02 2ro0 n LYS 61 Ca 0.11 0.31 0.16 0.00 -0.51 0.00 0.00 58.31 58.38 2ro0 n LYS 61 Cb 0.60 -1.59 0.90 0.00 -0.51 0.00 0.00 35.03 34.44 2ro0 n LYS 61 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 2ro0 n ARG 62 N -1.67 1.06 -0.06 1.97 1.85 -1.26 -3.18 116.66 115.37 2ro0 n ARG 62 Ca 0.03 -0.10 -0.01 0.00 -1.00 0.00 0.00 57.85 56.77 2ro0 n ARG 62 Cb 0.17 -1.50 -0.16 0.00 -1.05 0.00 0.00 32.46 29.92 2ro0 n ARG 62 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2ro0 n LEU 63 N -0.89 0.05 -4.44 2.89 7.99 -0.81 -4.99 117.00 116.81 2ro0 n LEU 63 Ca 0.23 0.02 -0.34 0.00 -0.01 0.00 0.00 56.01 55.91 2ro0 n LEU 63 Cb 0.14 0.28 0.10 0.00 -0.11 0.00 0.00 43.42 43.83 2ro0 n LEU 63 CO 0.18 0.28 -0.01 -0.90 -1.51 0.00 0.00 177.39 175.43 2ro0 n ASP 64 N -2.57 -1.66 -2.19 -1.43 5.75 -1.19 -4.78 116.55 108.47 2ro0 n ASP 64 Ca -0.20 0.44 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 2ro0 n ASP 64 Cb 0.91 -1.22 0.01 0.00 -1.03 0.00 0.00 41.12 39.79 2ro0 n ASP 64 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 2ro0 n GLU 65 N -1.30 0.14 -3.66 0.11 0.28 -0.37 -5.00 120.64 110.85 2ro0 n GLU 65 Ca 0.08 -0.44 -0.36 0.00 -0.16 0.00 0.00 57.16 56.28 2ro0 n GLU 65 Cb 0.52 0.66 -0.09 0.00 1.43 0.00 0.00 31.44 33.96 2ro0 n GLU 65 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2ro0 s TRP 66 N -3.10 3.32 0.21 -1.84 0.52 -1.26 -0.91 118.94 115.88 2ro0 s TRP 66 Ca 0.12 0.23 0.10 0.00 0.02 0.00 0.00 56.10 56.58 2ro0 s TRP 66 Cb -0.01 -2.26 -0.05 0.00 -1.15 0.00 0.00 33.47 30.00 2ro0 s TRP 66 CO 0.01 0.08 -0.20 0.96 0.02 0.00 0.00 176.95 177.82 2ro0 s ILE 67 N 1.02 2.13 0.49 2.03 -4.36 0.92 -4.92 121.20 118.51 2ro0 s ILE 67 Ca 0.08 -2.11 0.09 0.00 -0.26 0.00 0.00 60.65 58.44 2ro0 s ILE 67 Cb -0.13 -2.06 0.05 0.00 1.25 0.00 0.00 42.46 41.56 2ro0 s ILE 67 CO 0.04 -0.32 0.67 0.42 0.24 0.00 0.00 174.94 175.99 2ro0 s THR 68 N -2.18 2.57 0.23 8.37 -4.23 -1.26 -1.12 115.64 118.02 2ro0 s THR 68 Ca 0.22 -1.02 -0.06 0.00 -1.18 0.00 0.00 61.69 59.65 2ro0 s THR 68 Cb -0.06 -2.59 0.19 0.00 1.34 0.00 0.00 72.50 71.38 2ro0 s THR 68 CO 0.10 0.00 1.78 0.71 -0.54 0.00 0.00 174.62 176.67 2ro0 h THR 69 N 0.44 0.85 0.00 3.99 1.35 -1.93 0.25 112.91 117.86 2ro0 h THR 69 Ca -0.35 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2ro0 h THR 69 Cb 1.28 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 2ro0 h THR 69 CO 0.43 0.12 0.00 0.44 -0.25 0.00 0.00 175.52 176.26 2ro0 h ASP 70 N 0.64 0.00 -0.63 5.36 5.19 -1.96 -0.26 116.42 124.77 2ro0 h ASP 70 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 2ro0 h ASP 70 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 2ro0 h ASP 70 CO -0.27 0.00 0.00 0.54 -3.12 0.00 0.00 179.24 176.39 2ro0 n ARG 71 N -2.44 3.97 -4.70 3.56 1.74 0.87 -4.92 116.66 114.74 2ro0 n ARG 71 Ca -0.01 -2.90 -0.31 0.00 -0.77 0.00 0.00 57.85 53.86 2ro0 n ARG 71 Cb 0.11 -1.98 -0.13 0.00 -1.02 0.00 0.00 32.46 29.45 2ro0 n ARG 71 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2ro0 s ILE 72 N -2.04 2.93 -0.49 0.55 1.01 -0.11 -4.13 121.20 118.92 2ro0 s ILE 72 Ca 0.52 -1.05 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 2ro0 s ILE 72 Cb 0.35 -2.22 0.08 0.00 0.01 0.00 0.00 42.46 40.68 2ro0 s ILE 72 CO 0.23 0.40 0.43 0.21 0.00 0.00 0.00 174.94 176.20 2ro0 s ASN 73 N -1.28 6.16 -0.17 3.58 3.84 0.15 -4.91 114.94 122.31 2ro0 s ASN 73 Ca 0.14 -1.42 0.10 0.00 0.21 0.00 0.00 52.86 51.89 2ro0 s ASN 73 Cb -0.11 -2.19 0.59 0.00 -0.55 0.00 0.00 41.25 38.99 2ro0 s ASN 73 CO 0.05 -0.70 1.41 0.18 -2.79 0.00 0.00 177.10 175.24 2ro0 n LEU 74 N 5.24 4.45 -0.02 3.21 7.99 -1.26 -3.91 117.00 132.70 2ro0 n LEU 74 Ca -0.13 -2.26 0.09 0.00 -0.01 0.00 0.00 56.01 53.71 2ro0 n LEU 74 Cb 0.43 -0.64 -0.17 0.00 -0.11 0.00 0.00 43.42 42.94 2ro0 n LEU 74 CO 0.49 0.53 -0.78 -0.67 -1.51 0.00 0.00 177.39 175.44 2ro0 n ASP 75 N 0.43 0.12 -4.89 -1.43 -0.08 -1.26 -4.82 116.55 104.62 2ro0 n ASP 75 Ca 0.20 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 53.13 2ro0 n ASP 75 Cb 0.94 1.90 -0.05 0.00 2.34 0.00 0.00 41.12 46.25 2ro0 n ASP 75 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2ro0 s LYS 76 N -3.41 3.45 0.49 -0.67 3.01 -1.25 -5.06 119.74 116.29 2ro0 s LYS 76 Ca -0.08 -0.21 -0.22 0.00 -1.01 0.00 0.00 55.97 54.45 2ro0 s LYS 76 Cb 0.13 -3.14 -0.09 0.00 -1.01 0.00 0.00 37.83 33.72 2ro0 s LYS 76 CO 0.88 0.73 1.00 0.39 0.51 0.00 0.00 175.35 178.86 2ro0 n GLU 77 N 1.47 1.24 -3.86 1.68 1.02 -1.26 -4.83 120.64 116.10 2ro0 n GLU 77 Ca -0.15 0.45 -0.37 0.00 -0.02 0.00 0.00 57.16 57.07 2ro0 n GLU 77 Cb 0.54 -2.11 -0.06 0.00 -0.02 0.00 0.00 31.44 29.79 2ro0 n GLU 77 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ro0 s VAL 78 N -1.37 5.49 -0.19 2.62 1.01 0.94 -4.84 120.40 124.06 2ro0 s VAL 78 Ca 0.67 0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.79 2ro0 s VAL 78 Cb -0.50 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 2ro0 s VAL 78 CO 0.54 0.61 0.10 -0.76 0.00 0.00 0.00 175.10 175.58 2ro0 s LEU 79 N -0.95 4.02 0.18 3.92 1.43 -0.76 -1.42 118.68 125.10 2ro0 s LEU 79 Ca 0.15 0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.49 2ro0 s LEU 79 Cb -0.12 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2ro0 s LEU 79 CO 0.04 0.18 -0.17 -0.31 0.23 0.00 0.00 176.35 176.32 2ro0 s TYR 80 N 0.38 1.76 0.97 0.29 2.02 -0.49 -1.46 117.35 120.83 2ro0 s TYR 80 Ca 0.06 -0.51 -0.12 0.00 -0.37 0.00 0.00 57.07 56.13 2ro0 s TYR 80 Cb -0.12 -0.86 0.17 0.00 -0.40 0.00 0.00 41.96 40.76 2ro0 s TYR 80 CO -0.01 0.34 1.09 -1.25 -1.57 0.00 0.00 175.55 174.15 2ro0 s PRO 81 N -3.09 0.63 -0.28 -1.71 0.04 -1.26 -2.48 135.00 126.84 2ro0 s PRO 81 Ca 0.18 0.60 -0.11 0.00 0.04 0.00 0.00 61.00 61.71 2ro0 s PRO 81 Cb -0.04 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.70 2ro0 s PRO 81 CO 0.07 -2.62 0.19 0.21 0.04 0.00 0.00 177.00 174.89 2ro0 s LYS 82 N -4.95 3.95 0.16 4.56 2.47 -1.26 -4.60 119.74 120.07 2ro0 s LYS 82 Ca 0.65 -0.32 0.07 0.00 -1.56 0.00 0.00 55.97 54.81 2ro0 s LYS 82 Cb -0.18 -3.66 -0.04 0.00 -1.46 0.00 0.00 37.83 32.49 2ro0 s LYS 82 CO 0.57 -0.17 -0.15 -1.17 0.16 0.00 0.00 175.35 174.59 2ro0 s LEU 83 N 1.74 2.46 -0.37 5.43 2.96 -1.26 -4.93 118.68 124.71 2ro0 s LEU 83 Ca 0.07 -0.90 -0.20 0.00 -0.22 0.00 0.00 54.13 52.89 2ro0 s LEU 83 Cb -0.16 -0.65 0.03 0.00 0.50 0.00 0.00 46.19 45.90 2ro0 s LEU 83 CO 0.11 -0.13 0.47 1.17 -1.32 0.00 0.00 176.35 176.65 2ro0 n LYS 84 N 0.16 -2.18 -3.22 1.98 3.00 -1.26 -4.93 118.16 111.71 2ro0 n LYS 84 Ca -0.12 1.85 -0.33 0.00 -0.00 0.00 0.00 58.31 59.71 2ro0 n LYS 84 Cb 0.58 -3.95 -0.04 0.00 0.00 0.00 0.00 35.03 31.62 2ro0 n LYS 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ro0 n ALA 85 N 0.06 4.57 -0.02 3.14 0.00 -1.26 -4.69 120.51 122.31 2ro0 n ALA 85 Ca 0.02 -4.78 -0.03 0.00 0.00 0.00 0.00 53.44 48.65 2ro0 n ALA 85 Cb 0.47 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 2ro0 n ALA 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2ro0 n THR 86 N 0.93 0.26 -3.77 0.00 -1.04 -1.26 -4.96 114.28 104.45 2ro0 n THR 86 Ca 0.29 -0.13 -0.29 0.00 -2.04 0.00 0.00 64.05 61.88 2ro0 n THR 86 Cb 0.38 -0.78 -0.15 0.00 -1.82 0.00 0.00 70.33 67.95 2ro0 n THR 86 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2ro0 s ASP 87 N -3.99 3.77 -0.44 8.00 1.01 -1.26 -4.99 116.67 118.77 2ro0 s ASP 87 Ca -0.04 -1.40 0.04 0.00 0.71 0.00 0.00 52.55 51.85 2ro0 s ASP 87 Cb 0.01 -0.86 0.51 0.00 1.01 0.00 0.00 42.92 43.59 2ro0 s ASP 87 CO 0.13 -0.37 1.68 -1.84 0.21 0.00 0.00 175.17 174.98 2ro0 n GLU 88 N 4.86 2.57 0.00 8.23 0.28 -1.26 -5.19 120.64 130.13 2ro0 n GLU 88 Ca -0.05 -3.41 0.10 0.00 -0.16 0.00 0.00 57.16 53.65 2ro0 n GLU 88 Cb 0.43 -2.14 0.09 0.00 1.43 0.00 0.00 31.44 31.25 2ro0 n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72