#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2sob s THR 2 N 0.00 0.30 -1.02 0.00 -4.23 -1.26 -5.08 115.64 104.35 2sob s THR 2 Ca 0.00 -1.49 -0.23 0.00 -1.18 0.00 0.00 61.69 58.79 2sob s THR 2 Cb 0.00 -1.08 0.03 0.00 1.34 0.00 0.00 72.50 72.80 2sob s THR 2 CO 0.00 -0.77 1.55 -0.94 -0.54 0.00 0.00 174.62 173.92 2sob s SER 3 N -2.36 6.28 -0.12 3.99 1.04 -1.26 -4.90 113.70 116.37 2sob s SER 3 Ca -0.01 -1.38 -0.29 0.00 0.48 0.00 0.00 55.95 54.75 2sob s SER 3 Cb 0.00 -2.57 0.07 0.00 0.10 0.00 0.00 66.02 63.63 2sob s SER 3 CO -0.05 -1.71 0.70 0.28 0.98 0.00 0.00 173.24 173.44 2sob s THR 4 N 5.83 0.00 0.00 2.02 -1.32 -1.26 -5.18 115.64 115.73 2sob s THR 4 Ca 0.51 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.99 2sob s THR 4 Cb -0.01 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 2sob s THR 4 CO -0.07 0.00 0.00 0.29 -2.21 0.00 0.00 174.62 172.63 2sob n LYS 5 N 1.49 0.38 0.00 7.08 4.76 -1.26 -5.02 118.16 125.59 2sob n LYS 5 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 2sob n LYS 5 Cb 0.56 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.75 2sob n LYS 5 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2sob n LYS 6 N -0.91 0.00 -2.65 1.97 0.00 -1.26 -4.83 118.16 110.48 2sob n LYS 6 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 2sob n LYS 6 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2sob n LYS 6 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2sob n LEU 7 N -0.52 -1.06 -4.93 -5.58 -0.00 -1.26 -4.48 117.00 99.18 2sob n LEU 7 Ca 0.00 -1.61 -0.26 0.00 -0.00 0.00 0.00 56.01 54.14 2sob n LEU 7 Cb 0.00 0.95 -0.01 0.00 -0.00 0.00 0.00 43.42 44.36 2sob n LEU 7 CO 0.00 1.14 0.24 -2.28 -0.00 0.00 0.00 177.39 176.49 2sob s HIS 8 N 0.01 3.51 0.32 1.96 2.46 -1.26 -4.64 115.29 117.64 2sob s HIS 8 Ca 0.05 0.52 0.08 0.00 0.47 0.00 0.00 55.06 56.18 2sob s HIS 8 Cb 0.07 -2.04 -0.04 0.00 -0.13 0.00 0.00 32.58 30.45 2sob s HIS 8 CO -0.04 0.04 0.17 0.15 -2.47 0.00 0.00 174.74 172.59 2sob s LYS 9 N -4.24 2.53 -0.28 2.88 3.01 -1.26 -2.91 119.74 119.47 2sob s LYS 9 Ca 0.43 -1.39 -0.16 0.00 -1.01 0.00 0.00 55.97 53.84 2sob s LYS 9 Cb -0.10 -2.31 0.09 0.00 -1.01 0.00 0.00 37.83 34.51 2sob s LYS 9 CO 0.37 0.18 0.73 -1.83 0.51 0.00 0.00 175.35 175.31 2sob s GLU 10 N -3.86 0.65 0.43 1.68 1.03 -1.20 -4.79 118.70 112.63 2sob s GLU 10 Ca 0.37 1.15 -0.23 0.00 0.03 0.00 0.00 54.97 56.29 2sob s GLU 10 Cb -0.05 0.18 -0.11 0.00 -0.80 0.00 0.00 34.13 33.36 2sob s GLU 10 CO 0.24 -0.14 0.78 -2.30 -1.33 0.00 0.00 175.26 172.50 2sob n PRO 11 N 4.31 0.92 0.00 -4.83 -0.02 -1.12 -0.69 135.00 133.58 2sob n PRO 11 Ca -0.19 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2sob n PRO 11 Cb 0.58 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 2sob n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2sob n ALA 12 N -0.77 0.00 -3.65 3.55 0.00 0.13 -4.73 120.51 115.04 2sob n ALA 12 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.50 2sob n ALA 12 Cb 0.40 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.78 2sob n ALA 12 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2sob s THR 13 N 1.36 -0.65 -0.10 0.00 -1.32 -1.26 -4.33 115.64 109.34 2sob s THR 13 Ca 0.00 0.06 -0.29 0.00 -1.21 0.00 0.00 61.69 60.24 2sob s THR 13 Cb 0.00 -0.86 -0.05 0.00 -1.51 0.00 0.00 72.50 70.08 2sob s THR 13 CO 0.00 0.02 1.65 -1.48 -2.21 0.00 0.00 174.62 172.60 2sob s LEU 14 N 2.47 4.19 -0.09 9.08 0.05 -1.26 -4.47 118.68 128.65 2sob s LEU 14 Ca -0.06 2.06 0.04 0.00 0.05 0.00 0.00 54.13 56.22 2sob s LEU 14 Cb -0.11 -3.53 -0.08 0.00 -2.05 0.00 0.00 46.19 40.42 2sob s LEU 14 CO -0.17 -1.03 -0.03 -0.38 -0.55 0.00 0.00 176.35 174.19 2sob n ILE 15 N 5.77 0.56 0.00 1.48 5.41 -1.26 -5.03 119.36 126.29 2sob n ILE 15 Ca 0.18 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.65 2sob n ILE 15 Cb 0.43 -0.82 0.00 0.00 -0.71 0.00 0.00 39.64 38.54 2sob n ILE 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2sob n LYS 16 N -2.55 0.00 -2.00 0.38 3.00 -1.26 -5.10 118.16 110.62 2sob n LYS 16 Ca -0.15 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.78 2sob n LYS 16 Cb 0.72 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.77 2sob n LYS 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2sob s ALA 17 N 0.00 2.91 0.00 3.14 0.00 -1.26 -4.28 121.76 122.26 2sob s ALA 17 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2sob s ALA 17 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2sob s ALA 17 CO 0.00 -1.04 0.00 -0.89 0.00 0.00 0.00 175.76 173.83 2sob n ILE 18 N -0.74 0.00 -3.59 0.00 -0.00 -0.95 -5.02 119.36 109.06 2sob n ILE 18 Ca 0.09 0.16 -0.13 0.00 -0.00 0.00 0.00 62.75 62.87 2sob n ILE 18 Cb 0.46 -1.06 -0.06 0.00 -0.00 0.00 0.00 39.64 38.97 2sob n ILE 18 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2sob s ASP 19 N -1.94 -0.59 1.24 4.38 2.15 -1.25 -5.02 116.67 115.64 2sob s ASP 19 Ca 0.00 0.93 0.00 0.00 0.43 0.00 0.00 52.55 53.91 2sob s ASP 19 Cb 0.00 0.87 0.00 0.00 -0.30 0.00 0.00 42.92 43.49 2sob s ASP 19 CO 0.00 -0.34 0.00 0.61 -0.17 0.00 0.00 175.17 175.27 2sob n GLY 20 N 1.73 1.38 0.05 2.66 0.00 -1.26 -2.13 105.19 107.62 2sob n GLY 20 Ca -0.14 0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2sob n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2sob n ASP 21 N 10.03 1.11 -4.63 1.61 -0.08 -1.26 -4.74 116.55 118.60 2sob n ASP 21 Ca 0.00 -1.75 -0.43 0.00 -1.51 0.00 0.00 54.79 51.10 2sob n ASP 21 Cb 0.00 -0.07 -0.02 0.00 2.34 0.00 0.00 41.12 43.37 2sob n ASP 21 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2sob s THR 22 N -0.74 4.39 -0.01 5.18 2.01 -0.91 -4.01 115.64 121.55 2sob s THR 22 Ca 0.04 1.58 0.01 0.00 0.31 0.00 0.00 61.69 63.63 2sob s THR 22 Cb 0.03 -4.36 0.01 0.00 0.01 0.00 0.00 72.50 68.18 2sob s THR 22 CO 0.00 -0.52 -0.04 0.68 -0.69 0.00 0.00 174.62 174.06 2sob s VAL 23 N 3.89 0.33 -0.31 3.82 -7.23 0.02 -2.23 120.40 118.69 2sob s VAL 23 Ca 0.48 -0.13 -0.06 0.00 -1.81 0.00 0.00 61.98 60.47 2sob s VAL 23 Cb -0.13 -0.32 -0.22 0.00 0.56 0.00 0.00 36.38 36.27 2sob s VAL 23 CO 0.19 0.12 3.31 2.29 -0.31 0.00 0.00 175.10 180.70 2sob n LYS 24 N 3.33 2.20 -2.50 4.82 0.00 -1.25 -0.64 118.16 124.12 2sob n LYS 24 Ca -0.17 -1.17 -0.43 0.00 -0.00 0.00 0.00 58.31 56.54 2sob n LYS 24 Cb 0.56 -2.13 -0.02 0.00 -0.00 0.00 0.00 35.03 33.44 2sob n LYS 24 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2sob s LEU 25 N 0.03 3.78 0.14 -5.58 1.98 -0.32 -4.37 118.68 114.35 2sob s LEU 25 Ca 0.63 0.92 -0.30 0.00 -2.89 0.00 0.00 54.13 52.49 2sob s LEU 25 Cb 0.27 -3.54 -0.07 0.00 0.66 0.00 0.00 46.19 43.51 2sob s LEU 25 CO -0.01 -1.14 0.98 0.00 -1.89 0.00 0.00 176.35 174.29 2sob s MET 26 N 4.27 4.71 -0.03 1.98 0.23 -1.26 -3.86 119.30 125.33 2sob s MET 26 Ca 0.53 1.50 -0.01 0.00 -1.03 0.00 0.00 55.69 56.68 2sob s MET 26 Cb -0.13 -3.35 -0.00 0.00 -1.53 0.00 0.00 34.83 29.82 2sob s MET 26 CO 0.25 0.24 -0.02 0.10 -2.03 0.00 0.00 175.02 173.56 2sob h TYR 27 N 5.28 0.00 0.00 3.16 -0.00 -1.88 -3.37 116.97 120.16 2sob h TYR 27 Ca -0.43 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.20 2sob h TYR 27 Cb 1.21 0.00 -0.09 0.00 -0.00 0.00 0.00 36.73 37.85 2sob h TYR 27 CO 0.64 0.00 0.03 1.17 -0.00 0.00 0.00 178.16 180.00 2sob n LYS 28 N -2.76 0.40 0.00 0.10 3.00 -1.26 -4.55 118.16 113.09 2sob n LYS 28 Ca -0.01 -0.77 0.00 0.00 -0.00 0.00 0.00 58.31 57.53 2sob n LYS 28 Cb 0.04 0.03 0.00 0.00 0.00 0.00 0.00 35.03 35.10 2sob n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2sob n GLY 29 N -0.52 0.00 3.08 3.14 0.00 -1.26 -5.11 105.19 104.51 2sob n GLY 29 Ca -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 2sob n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2sob s GLN 30 N 0.00 0.51 -0.33 1.61 0.74 -1.26 -5.10 119.66 115.83 2sob s GLN 30 Ca 0.00 0.56 -0.28 0.00 0.05 0.00 0.00 55.36 55.69 2sob s GLN 30 Cb 0.00 0.13 -0.03 0.00 1.10 0.00 0.00 33.01 34.21 2sob s GLN 30 CO 0.00 -0.91 1.93 -1.25 -0.55 0.00 0.00 175.29 174.51 2sob s PRO 31 N 2.75 3.18 0.12 1.67 0.04 -1.26 -4.04 135.00 137.46 2sob s PRO 31 Ca 0.13 1.52 0.03 0.00 0.04 0.00 0.00 61.00 62.72 2sob s PRO 31 Cb -0.12 -4.27 -0.04 0.00 0.04 0.00 0.00 34.50 30.10 2sob s PRO 31 CO -0.25 -2.04 -0.08 -1.64 0.04 0.00 0.00 177.00 173.03 2sob s MET 32 N 6.04 0.94 -0.20 4.56 -1.94 -1.25 -4.89 119.30 122.56 2sob s MET 32 Ca 0.85 -1.39 -0.10 0.00 -1.71 0.00 0.00 55.69 53.34 2sob s MET 32 Cb -0.24 -0.40 -0.05 0.00 2.01 0.00 0.00 34.83 36.15 2sob s MET 32 CO 0.33 0.02 0.13 -0.08 -0.01 0.00 0.00 175.02 175.41 2sob s THR 33 N -3.49 5.38 0.34 2.05 -1.32 -1.25 -1.17 115.64 116.19 2sob s THR 33 Ca 0.14 0.18 -0.08 0.00 -1.21 0.00 0.00 61.69 60.72 2sob s THR 33 Cb 0.04 -3.46 0.03 0.00 -1.51 0.00 0.00 72.50 67.60 2sob s THR 33 CO -0.02 0.44 0.59 2.22 -2.21 0.00 0.00 174.62 175.63 2sob n PHE 34 N 3.56 -1.83 -4.25 9.09 -1.74 0.19 -4.23 117.46 118.25 2sob n PHE 34 Ca -0.16 -1.87 -0.14 0.00 -0.56 0.00 0.00 57.45 54.72 2sob n PHE 34 Cb 0.52 0.68 -0.10 0.00 1.52 0.00 0.00 39.48 42.10 2sob n PHE 34 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2sob s ARG 35 N -2.37 1.28 0.00 3.97 3.00 -1.26 -0.80 118.95 122.78 2sob s ARG 35 Ca 0.20 -1.68 0.00 0.00 0.00 0.00 0.00 55.73 54.25 2sob s ARG 35 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 34.95 34.92 2sob s ARG 35 CO 0.14 -0.33 0.89 1.28 0.00 0.00 0.00 175.30 177.28 2sob n LEU 36 N -0.35 0.01 -3.00 2.53 4.77 -1.11 -1.48 117.00 118.38 2sob n LEU 36 Ca 0.00 0.90 -0.26 0.00 -0.03 0.00 0.00 56.01 56.62 2sob n LEU 36 Cb 0.66 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 2sob n LEU 36 CO 0.35 -0.41 0.11 -0.11 -1.33 0.00 0.00 177.39 175.99 2sob n LEU 37 N -1.73 4.06 -4.26 2.23 7.94 -1.26 -4.19 117.00 119.79 2sob n LEU 37 Ca 0.00 -5.60 -0.33 0.00 -1.11 0.00 0.00 56.01 48.97 2sob n LEU 37 Cb 0.00 -0.44 -0.06 0.00 0.53 0.00 0.00 43.42 43.45 2sob n LEU 37 CO 0.00 2.33 -0.26 0.00 -1.11 0.00 0.00 177.39 178.35 2sob n LEU 38 N -0.10 -1.39 -0.55 -1.96 -0.00 -1.26 -4.76 117.00 106.98 2sob n LEU 38 Ca 0.30 -1.15 0.44 0.00 -0.00 0.00 0.00 56.01 55.60 2sob n LEU 38 Cb 0.42 -1.85 0.73 0.00 -0.00 0.00 0.00 43.42 42.72 2sob n LEU 38 CO 0.33 0.34 1.35 0.58 -0.00 0.00 0.00 177.39 179.99 2sob h VAL 39 N -1.54 0.08 -1.09 1.47 2.07 -1.89 0.86 116.25 116.21 2sob h VAL 39 Ca -0.63 -0.01 -0.66 0.00 0.82 0.00 0.00 66.70 66.23 2sob h VAL 39 Cb 1.39 0.04 -0.32 0.00 -1.52 0.00 0.00 31.29 30.88 2sob h VAL 39 CO 0.75 0.01 0.46 -0.67 0.02 0.00 0.00 177.57 178.14 2sob n ASP 40 N -4.36 6.96 -4.02 0.57 2.03 -1.26 -4.79 116.55 111.68 2sob n ASP 40 Ca 0.40 -3.78 -0.33 0.00 0.52 0.00 0.00 54.79 51.59 2sob n ASP 40 Cb 1.68 -0.83 -0.11 0.00 -0.72 0.00 0.00 41.12 41.14 2sob n ASP 40 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2sob s THR 41 N -4.84 3.31 0.10 5.18 2.01 0.29 -5.06 115.64 116.63 2sob s THR 41 Ca 0.60 -3.39 -0.31 0.00 0.31 0.00 0.00 61.69 58.89 2sob s THR 41 Cb 0.47 -3.18 -0.07 0.00 0.01 0.00 0.00 72.50 69.73 2sob s THR 41 CO -0.06 -0.90 1.38 -2.16 -0.69 0.00 0.00 174.62 172.20 2sob s PRO 42 N -0.51 4.32 0.00 4.92 0.04 -1.26 -5.00 135.00 137.51 2sob s PRO 42 Ca 0.19 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2sob s PRO 42 Cb -0.18 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.05 2sob s PRO 42 CO -0.05 -0.45 0.00 -0.85 0.04 0.00 0.00 177.00 175.69 2sob n GLU 43 N 4.16 0.00 -3.03 4.56 0.28 -1.26 -5.07 120.64 120.28 2sob n GLU 43 Ca 0.12 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.67 2sob n GLU 43 Cb 0.43 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.29 2sob n GLU 43 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2sob s THR 44 N -2.36 5.17 0.31 3.84 2.01 -1.26 -4.36 115.64 118.99 2sob s THR 44 Ca 0.00 -2.59 0.00 0.00 0.31 0.00 0.00 61.69 59.41 2sob s THR 44 Cb 0.00 -4.82 0.00 0.00 0.01 0.00 0.00 72.50 67.69 2sob s THR 44 CO 0.00 -1.50 0.00 1.17 -0.69 0.00 0.00 174.62 173.60 2sob n LYS 45 N 5.23 0.00 -3.65 4.92 3.00 -1.26 -5.09 118.16 121.31 2sob n LYS 45 Ca 0.31 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.25 2sob n LYS 45 Cb 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.35 2sob n LYS 45 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2sob s HIS 46 N -2.00 3.17 -0.13 5.64 3.76 -1.26 -5.04 115.29 119.42 2sob s HIS 46 Ca 0.00 -0.23 -0.29 0.00 -0.15 0.00 0.00 55.06 54.39 2sob s HIS 46 Cb 0.00 -2.34 -0.06 0.00 1.11 0.00 0.00 32.58 31.29 2sob s HIS 46 CO 0.00 -0.30 2.03 -1.25 -0.85 0.00 0.00 174.74 174.37 2sob s PRO 47 N 1.68 3.58 -0.18 8.40 0.04 -1.26 -4.89 135.00 142.37 2sob s PRO 47 Ca 0.06 2.16 -0.10 0.00 0.04 0.00 0.00 61.00 63.16 2sob s PRO 47 Cb -0.16 -4.25 0.06 0.00 0.04 0.00 0.00 34.50 30.19 2sob s PRO 47 CO 0.08 -1.59 0.43 0.21 0.04 0.00 0.00 177.00 176.16 2sob s LYS 48 N 5.44 0.41 0.42 4.56 2.20 -1.26 -5.16 119.74 126.35 2sob s LYS 48 Ca 0.92 0.81 -0.13 0.00 -0.36 0.00 0.00 55.97 57.21 2sob s LYS 48 Cb -0.35 -0.02 -0.07 0.00 -1.51 0.00 0.00 37.83 35.88 2sob s LYS 48 CO 0.36 -0.16 0.82 0.15 -0.36 0.00 0.00 175.35 176.16 2sob s LYS 49 N 1.42 3.86 -1.30 4.03 -0.14 -1.26 -4.97 119.74 121.37 2sob s LYS 49 Ca -0.10 0.62 -0.15 0.00 -1.36 0.00 0.00 55.97 54.98 2sob s LYS 49 Cb -0.08 -2.33 0.10 0.00 -1.68 0.00 0.00 37.83 33.83 2sob s LYS 49 CO -0.13 -0.06 1.76 0.41 -0.76 0.00 0.00 175.35 176.56 2sob n GLY 50 N -1.21 3.31 0.00 -3.33 0.00 -1.26 -4.88 105.19 97.82 2sob n GLY 50 Ca 0.04 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2sob n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2sob n VAL 51 N 5.43 0.00 -2.71 1.61 0.31 -1.26 -5.05 118.33 116.66 2sob n VAL 51 Ca 0.46 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.36 2sob n VAL 51 Cb 0.43 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.35 2sob n VAL 51 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2sob s GLU 52 N 1.32 3.90 -0.22 5.55 2.12 -1.26 -4.50 118.70 125.62 2sob s GLU 52 Ca 0.00 -1.97 0.11 0.00 0.36 0.00 0.00 54.97 53.48 2sob s GLU 52 Cb 0.00 -5.32 0.31 0.00 0.26 0.00 0.00 34.13 29.38 2sob s GLU 52 CO 0.00 -2.07 1.33 1.17 -0.54 0.00 0.00 175.26 175.15 2sob n LYS 53 N 7.58 0.97 0.01 4.30 3.00 -1.26 -4.95 118.16 127.80 2sob n LYS 53 Ca 0.40 -1.47 -0.20 0.00 -0.00 0.00 0.00 58.31 57.04 2sob n LYS 53 Cb 0.46 0.19 -0.14 0.00 0.00 0.00 0.00 35.03 35.54 2sob n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2sob n TYR 54 N -0.91 1.27 -3.86 5.64 4.01 -1.26 -4.75 117.16 117.31 2sob n TYR 54 Ca -0.16 0.28 -0.35 0.00 -0.16 0.00 0.00 57.90 57.50 2sob n TYR 54 Cb 0.84 -1.17 -0.13 0.00 -0.31 0.00 0.00 39.34 38.57 2sob n TYR 54 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2sob s GLY 55 N -5.53 1.86 0.00 2.72 0.00 -1.26 -4.44 107.32 100.67 2sob s GLY 55 Ca -0.21 -2.10 0.00 0.00 0.00 0.00 0.00 44.72 42.41 2sob s GLY 55 CO 0.78 0.84 0.00 -1.55 0.00 0.00 0.00 173.10 173.17 2sob n PRO 56 N 4.59 1.30 0.01 2.90 -0.04 -1.26 -4.95 135.00 137.56 2sob n PRO 56 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2sob n PRO 56 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 2sob n PRO 56 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2sob n GLU 57 N 0.00 0.00 -0.03 0.54 2.13 -1.26 -4.21 120.64 117.82 2sob n GLU 57 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 2sob n GLU 57 Cb 0.00 -0.09 0.08 0.00 0.27 0.00 0.00 31.44 31.69 2sob n GLU 57 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2sob h ALA 58 N 0.00 0.79 0.00 4.31 0.00 -2.02 -2.84 119.26 119.50 2sob h ALA 58 Ca 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2sob h ALA 58 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2sob h ALA 58 CO 0.00 0.66 -0.43 0.77 0.00 0.00 0.00 179.25 180.25 2sob h SER 59 N 0.52 0.00 1.29 0.00 0.02 -2.00 -3.24 113.55 110.13 2sob h SER 59 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2sob h SER 59 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 2sob h SER 59 CO 0.08 0.28 0.00 0.00 -1.14 0.00 0.00 176.83 176.06 2sob h ALA 60 N 1.72 1.00 0.00 3.77 0.00 -1.67 -3.11 119.26 120.96 2sob h ALA 60 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2sob h ALA 60 Cb 1.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2sob h ALA 60 CO 0.03 0.00 -0.01 0.27 0.00 0.00 0.00 179.25 179.54 2sob h PHE 61 N 0.00 0.00 0.18 0.00 -0.00 -1.55 -1.63 116.94 113.94 2sob h PHE 61 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.97 57.71 2sob h PHE 61 Cb 0.65 0.00 0.02 0.00 -0.00 0.00 0.00 35.95 36.62 2sob h PHE 61 CO 0.00 0.01 -1.16 1.15 -0.00 0.00 0.00 178.31 178.31 2sob h THR 62 N 0.00 1.35 -0.43 0.88 2.02 -1.78 -2.70 112.91 112.25 2sob h THR 62 Ca -0.00 -2.57 -0.11 0.00 0.77 0.00 0.00 66.41 64.50 2sob h THR 62 Cb 0.04 3.07 -0.02 0.00 -1.74 0.00 0.00 68.15 69.51 2sob h THR 62 CO 0.00 0.75 -0.18 0.07 0.37 0.00 0.00 175.52 176.53 2sob h LYS 63 N -0.17 0.83 0.00 6.66 2.10 -1.56 -2.58 116.57 121.85 2sob h LYS 63 Ca -0.21 -0.32 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 2sob h LYS 63 Cb 1.86 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 33.14 2sob h LYS 63 CO 0.18 0.95 -0.04 1.63 -2.00 0.00 0.00 179.45 180.17 2sob n LYS 64 N -4.13 0.12 -0.32 0.07 4.76 -0.67 -3.79 118.16 114.21 2sob n LYS 64 Ca 0.01 0.10 0.18 0.00 -2.87 0.00 0.00 58.31 55.72 2sob n LYS 64 Cb 0.42 -1.64 0.43 0.00 -1.84 0.00 0.00 35.03 32.40 2sob n LYS 64 CO 0.00 0.00 0.00 1.98 -1.37 0.00 0.00 177.40 178.01 2sob h MET 65 N 0.00 0.53 0.00 1.97 4.05 -1.10 0.23 114.93 120.61 2sob h MET 65 Ca 0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2sob h MET 65 Cb 0.61 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.29 2sob h MET 65 CO 0.00 0.35 -0.62 1.47 0.23 0.00 0.00 176.91 178.34 2sob n LEU 66 N -4.67 0.62 0.08 3.39 -0.00 -1.25 -2.44 117.00 112.73 2sob n LEU 66 Ca 0.23 -0.11 -0.19 0.00 -0.00 0.00 0.00 56.01 55.94 2sob n LEU 66 Cb 0.71 -0.19 -0.15 0.00 -0.00 0.00 0.00 43.42 43.80 2sob n LEU 66 CO 0.24 0.15 -0.34 -0.08 -0.00 0.00 0.00 177.39 177.37 2sob h GLU 67 N 0.00 0.32 0.02 1.47 4.57 -0.77 -3.39 114.58 116.81 2sob h GLU 67 Ca 0.00 -0.55 -0.35 0.00 -1.18 0.00 0.00 59.36 57.28 2sob h GLU 67 Cb 0.51 0.21 -0.06 0.00 -0.16 0.00 0.00 28.75 29.25 2sob h GLU 67 CO 0.00 1.21 -2.12 0.27 -1.18 0.00 0.00 179.01 177.19 2sob n ASN 68 N -3.53 0.96 -4.75 1.04 0.23 -0.41 -4.91 115.26 103.89 2sob n ASN 68 Ca -0.18 0.14 -0.32 0.00 -0.53 0.00 0.00 54.58 53.70 2sob n ASN 68 Cb 1.06 0.12 0.09 0.00 -2.08 0.00 0.00 39.78 38.97 2sob n ASN 68 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2sob s ALA 69 N -2.54 2.17 -0.24 -2.53 0.00 -1.02 -4.99 121.76 112.61 2sob s ALA 69 Ca -0.14 0.42 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 2sob s ALA 69 Cb 0.07 -3.33 -0.14 0.00 0.00 0.00 0.00 23.12 19.73 2sob s ALA 69 CO 0.78 -1.83 -0.23 0.36 0.00 0.00 0.00 175.76 174.84 2sob n LYS 70 N -3.34 0.56 -2.98 0.00 0.00 -1.26 -4.58 118.16 106.56 2sob n LYS 70 Ca 0.10 0.16 -0.40 0.00 -0.00 0.00 0.00 58.31 58.17 2sob n LYS 70 Cb 0.52 -1.44 -0.05 0.00 -0.00 0.00 0.00 35.03 34.07 2sob n LYS 70 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2sob s LYS 71 N -2.46 4.49 -0.33 -1.58 -0.14 -1.26 -4.61 119.74 113.86 2sob s LYS 71 Ca -0.32 1.06 -0.01 0.00 -1.36 0.00 0.00 55.97 55.34 2sob s LYS 71 Cb 0.09 -3.37 0.11 0.00 -1.68 0.00 0.00 37.83 32.99 2sob s LYS 71 CO 0.51 0.27 0.13 0.42 -0.76 0.00 0.00 175.35 175.92 2sob s ILE 72 N -0.02 0.69 -1.21 2.17 1.01 -1.26 -2.20 121.20 120.37 2sob s ILE 72 Ca 0.39 -1.46 -0.19 0.00 0.00 0.00 0.00 60.65 59.38 2sob s ILE 72 Cb -0.20 -1.52 0.07 0.00 0.01 0.00 0.00 42.46 40.82 2sob s ILE 72 CO 0.23 -0.75 1.64 -1.61 0.00 0.00 0.00 174.94 174.45 2sob s GLU 73 N 1.49 3.88 -0.68 2.79 2.02 -1.11 0.22 118.70 127.30 2sob s GLU 73 Ca 0.11 -1.78 -0.26 0.00 0.02 0.00 0.00 54.97 53.06 2sob s GLU 73 Cb -0.19 -5.46 -0.11 0.00 0.10 0.00 0.00 34.13 28.48 2sob s GLU 73 CO -0.22 -2.21 2.40 0.08 0.02 0.00 0.00 175.26 175.33 2sob s VAL 74 N 4.28 3.01 -1.20 2.63 1.01 0.14 -3.43 120.40 126.85 2sob s VAL 74 Ca 0.51 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 62.34 2sob s VAL 74 Cb 0.02 -3.03 0.17 0.00 0.00 0.00 0.00 36.38 33.54 2sob s VAL 74 CO 0.02 -0.03 1.43 -0.70 0.00 0.00 0.00 175.10 175.82 2sob s GLU 75 N 8.65 4.07 -0.02 2.72 2.12 -0.74 -3.27 118.70 132.22 2sob s GLU 75 Ca 0.94 -2.53 0.03 0.00 0.36 0.00 0.00 54.97 53.76 2sob s GLU 75 Cb -0.14 -5.07 0.04 0.00 0.26 0.00 0.00 34.13 29.23 2sob s GLU 75 CO 0.14 -1.78 0.91 1.97 -0.54 0.00 0.00 175.26 175.97 2sob n PHE 76 N 5.74 0.00 -1.04 5.30 -1.74 -1.15 -3.76 117.46 120.82 2sob n PHE 76 Ca 0.36 -0.43 0.13 0.00 -0.56 0.00 0.00 57.45 56.95 2sob n PHE 76 Cb 0.43 -0.05 -0.06 0.00 1.52 0.00 0.00 39.48 41.31 2sob n PHE 76 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 2sob n ASP 77 N -0.50 -5.78 -0.41 5.98 5.68 -1.23 -4.17 116.55 116.12 2sob n ASP 77 Ca 0.02 0.98 -0.10 0.00 -0.50 0.00 0.00 54.79 55.19 2sob n ASP 77 Cb 0.39 -3.52 -0.09 0.00 -1.14 0.00 0.00 41.12 36.76 2sob n ASP 77 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2sob n LYS 78 N -3.72 -0.42 -4.36 0.11 4.76 -1.26 -4.44 118.16 108.83 2sob n LYS 78 Ca -0.06 1.50 -0.21 0.00 -2.87 0.00 0.00 58.31 56.68 2sob n LYS 78 Cb 0.49 -2.21 -0.16 0.00 -1.84 0.00 0.00 35.03 31.31 2sob n LYS 78 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2sob s GLY 79 N -2.59 0.54 0.14 0.72 0.00 -1.26 -5.03 107.32 99.84 2sob s GLY 79 Ca -0.12 -0.28 -0.18 0.00 0.00 0.00 0.00 44.72 44.14 2sob s GLY 79 CO 0.63 0.03 1.73 1.46 0.00 0.00 0.00 173.10 176.95 2sob h GLN 80 N 6.59 0.14 0.00 2.90 7.50 -1.78 -3.47 115.11 126.99 2sob h GLN 80 Ca -0.34 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.80 2sob h GLN 80 Cb 1.17 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.67 2sob h GLN 80 CO 0.48 0.09 0.00 -2.13 -1.50 0.00 0.00 178.83 175.78 2sob n ARG 81 N -5.10 0.00 0.00 1.46 0.63 -1.26 -4.98 116.66 107.41 2sob n ARG 81 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2sob n ARG 81 Cb 0.13 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.04 2sob n ARG 81 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2sob n THR 82 N 0.00 0.00 0.00 5.15 -2.24 -1.26 -5.12 114.28 110.81 2sob n THR 82 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2sob n THR 82 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2sob n THR 82 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2sob n ASP 83 N -0.72 0.00 0.02 3.42 2.03 -1.26 -2.63 116.55 117.40 2sob n ASP 83 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 2sob n ASP 83 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 2sob n ASP 83 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2sob h LYS 84 N 0.00 0.69 0.00 -0.67 3.64 -2.03 -3.17 116.57 115.03 2sob h LYS 84 Ca 0.00 -0.68 -0.06 0.00 -1.27 0.00 0.00 60.65 58.64 2sob h LYS 84 Cb 0.00 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2sob h LYS 84 CO 0.00 1.27 -1.00 1.88 -2.27 0.00 0.00 179.45 179.33 2sob h TYR 85 N 0.36 0.00 -0.63 1.91 0.05 -2.05 -3.48 116.97 113.12 2sob h TYR 85 Ca -0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.68 2sob h TYR 85 Cb 1.55 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.29 2sob h TYR 85 CO 0.11 0.21 0.00 0.41 -1.05 0.00 0.00 178.16 177.84 2sob n GLY 86 N 1.24 0.81 0.00 3.88 0.00 -1.20 -5.10 105.19 104.82 2sob n GLY 86 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2sob n GLY 86 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2sob n ARG 87 N -0.32 3.15 -2.63 1.61 -4.01 -1.08 -4.90 116.66 108.48 2sob n ARG 87 Ca 0.00 0.00 -0.36 0.00 -1.04 0.00 0.00 57.85 56.45 2sob n ARG 87 Cb 0.24 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.66 2sob n ARG 87 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 2sob n VAL 88 N 0.00 4.63 -1.52 8.89 0.31 -1.26 -4.76 118.33 124.62 2sob n VAL 88 Ca 0.00 -5.59 -0.36 0.00 -0.01 0.00 0.00 64.34 58.38 2sob n VAL 88 Cb 0.00 -1.45 -0.11 0.00 -0.91 0.00 0.00 33.84 31.37 2sob n VAL 88 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2sob n LEU 89 N -0.21 0.90 -4.12 7.52 4.77 -1.26 -4.39 117.00 120.21 2sob n LEU 89 Ca 0.42 -0.23 -0.10 0.00 -0.03 0.00 0.00 56.01 56.08 2sob n LEU 89 Cb 0.32 -1.16 -0.10 0.00 -2.33 0.00 0.00 43.42 40.16 2sob n LEU 89 CO 0.45 -1.20 -0.25 0.00 -1.33 0.00 0.00 177.39 175.06 2sob s ALA 90 N 9.64 0.74 -0.05 -1.18 0.00 -0.55 -4.58 121.76 125.78 2sob s ALA 90 Ca 1.20 -1.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 2sob s ALA 90 Cb -0.78 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2sob s ALA 90 CO 0.39 -0.51 0.03 0.71 0.00 0.00 0.00 175.76 176.38 2sob s TYR 91 N -4.04 3.21 -0.21 0.00 1.51 -1.25 -2.73 117.35 113.84 2sob s TYR 91 Ca 0.23 0.20 0.02 0.00 -1.01 0.00 0.00 57.07 56.51 2sob s TYR 91 Cb 0.07 -1.76 0.04 0.00 -0.11 0.00 0.00 41.96 40.19 2sob s TYR 91 CO 0.02 0.51 -0.15 0.42 -1.11 0.00 0.00 175.55 175.24 2sob s ILE 92 N -1.01 2.01 -0.81 2.71 -1.09 -1.26 -1.80 121.20 119.95 2sob s ILE 92 Ca 0.17 -1.20 0.01 0.00 -2.23 0.00 0.00 60.65 57.39 2sob s ILE 92 Cb -0.12 -1.98 0.20 0.00 -1.58 0.00 0.00 42.46 38.99 2sob s ILE 92 CO 0.07 0.26 0.66 -0.31 -1.23 0.00 0.00 174.94 174.38 2sob s TYR 93 N 1.25 3.75 -0.35 3.97 2.02 -1.22 -4.64 117.35 122.12 2sob s TYR 93 Ca -0.01 -3.13 -0.20 0.00 -0.37 0.00 0.00 57.07 53.35 2sob s TYR 93 Cb -0.16 -3.05 0.00 0.00 -0.40 0.00 0.00 41.96 38.35 2sob s TYR 93 CO -0.09 -0.67 0.64 0.00 -1.57 0.00 0.00 175.55 173.85 2sob s ALA 94 N -1.31 3.47 -0.66 3.71 0.00 -1.26 -2.75 121.76 122.96 2sob s ALA 94 Ca 0.26 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2sob s ALA 94 Cb -0.07 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2sob s ALA 94 CO -0.13 -1.31 0.00 -0.25 0.00 0.00 0.00 175.76 174.07 2sob n ASP 95 N 6.02 -2.80 0.03 0.00 9.92 -0.94 -4.54 116.55 124.25 2sob n ASP 95 Ca -0.01 0.31 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 2sob n ASP 95 Cb 0.49 -2.44 0.00 0.00 -0.64 0.00 0.00 41.12 38.52 2sob n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2sob n GLY 96 N -0.68 -0.07 2.10 0.44 0.00 -1.26 -4.98 105.19 100.73 2sob n GLY 96 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 2sob n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2sob n LYS 97 N -2.85 -1.56 0.01 1.61 5.02 -1.26 -4.76 118.16 114.38 2sob n LYS 97 Ca 0.00 0.70 -0.21 0.00 -2.02 0.00 0.00 58.31 56.77 2sob n LYS 97 Cb 0.08 -5.04 -0.14 0.00 -0.02 0.00 0.00 35.03 29.91 2sob n LYS 97 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2sob h MET 98 N 0.00 0.25 0.00 1.97 -0.00 -1.93 -3.21 114.93 112.00 2sob h MET 98 Ca -0.27 -0.42 0.00 0.00 -0.00 0.00 0.00 59.70 59.01 2sob h MET 98 Cb 0.94 0.16 0.00 0.00 -0.00 0.00 0.00 31.60 32.69 2sob h MET 98 CO 0.37 1.20 0.00 0.28 -0.00 0.00 0.00 176.91 178.76 2sob h VAL 99 N -0.28 0.00 -0.05 -0.10 2.07 -1.87 -3.39 116.25 112.63 2sob h VAL 99 Ca -0.31 -0.38 -0.13 0.00 0.82 0.00 0.00 66.70 66.69 2sob h VAL 99 Cb 1.78 1.36 0.03 0.00 -1.52 0.00 0.00 31.29 32.94 2sob h VAL 99 CO 0.06 0.00 0.45 -3.20 0.02 0.00 0.00 177.57 174.90 2sob n ASN 100 N -3.02 0.74 0.22 0.57 5.15 -1.22 -4.62 115.26 113.08 2sob n ASN 100 Ca -0.00 -2.27 0.11 0.00 -0.60 0.00 0.00 54.58 51.82 2sob n ASN 100 Cb 0.25 -1.25 0.29 0.00 -0.53 0.00 0.00 39.78 38.55 2sob n ASN 100 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2sob h GLU 101 N 10.78 0.00 -6.67 1.20 4.81 -1.88 -3.45 114.58 119.36 2sob h GLU 101 Ca 0.06 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.72 2sob h GLU 101 Cb 0.91 0.00 0.09 0.00 0.63 0.00 0.00 28.75 30.38 2sob h GLU 101 CO 1.21 0.12 0.68 0.00 -0.73 0.00 0.00 179.01 180.29 2sob n ALA 102 N -2.14 1.57 0.19 2.92 0.00 -1.26 -5.24 120.51 116.56 2sob n ALA 102 Ca 0.02 0.39 0.02 0.00 0.00 0.00 0.00 53.44 53.87 2sob n ALA 102 Cb 0.51 -2.33 0.09 0.00 0.00 0.00 0.00 19.45 17.72 2sob n ALA 102 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97