#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b60 s GLN 2 N 0.00 3.45 -0.14 0.54 0.74 -1.26 -5.09 119.66 117.90 2b60 s GLN 2 Ca 0.00 -0.21 -0.03 0.00 0.05 0.00 0.00 55.36 55.18 2b60 s GLN 2 Cb 0.00 -3.15 0.05 0.00 1.10 0.00 0.00 33.01 31.01 2b60 s GLN 2 CO 0.00 0.73 0.04 0.42 -0.55 0.00 0.00 175.29 175.93 2b60 s ILE 3 N -1.17 0.33 0.93 -2.34 1.01 -1.26 -5.13 121.20 113.57 2b60 s ILE 3 Ca 0.21 -0.21 -0.13 0.00 0.00 0.00 0.00 60.65 60.52 2b60 s ILE 3 Cb -0.12 -0.74 0.15 0.00 0.01 0.00 0.00 42.46 41.76 2b60 s ILE 3 CO 0.11 -0.05 1.14 0.42 0.00 0.00 0.00 174.94 176.56 2b60 s THR 4 N 1.96 1.98 -0.25 2.92 -4.23 -1.26 -5.00 115.64 111.77 2b60 s THR 4 Ca 0.02 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.65 2b60 s THR 4 Cb -0.15 -2.73 0.50 0.00 1.34 0.00 0.00 72.50 71.45 2b60 s THR 4 CO -0.07 0.00 1.43 0.18 -0.54 0.00 0.00 174.62 175.62 2b60 n LEU 5 N -3.84 3.90 0.25 4.79 4.77 -1.26 -4.54 117.00 121.07 2b60 n LEU 5 Ca 0.07 -3.53 0.14 0.00 -0.03 0.00 0.00 56.01 52.66 2b60 n LEU 5 Cb 0.59 -0.59 0.57 0.00 -2.33 0.00 0.00 43.42 41.66 2b60 n LEU 5 CO 0.56 1.07 0.90 -0.50 -1.33 0.00 0.00 177.39 178.09 2b60 h TRP 6 N 1.14 0.00 -3.19 -1.77 4.06 -2.07 -3.44 115.95 110.69 2b60 h TRP 6 Ca 0.14 0.00 -0.45 0.00 2.06 0.00 0.00 58.89 60.65 2b60 h TRP 6 Cb 1.54 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 29.54 2b60 h TRP 6 CO 0.81 0.11 -0.75 -0.65 -3.56 0.00 0.00 178.44 174.40 2b60 s GLN 7 N -3.68 1.22 0.24 0.49 -0.21 -1.26 -5.10 119.66 111.35 2b60 s GLN 7 Ca 0.01 -1.45 -0.31 0.00 0.02 0.00 0.00 55.36 53.62 2b60 s GLN 7 Cb 0.10 -1.07 -0.12 0.00 1.00 0.00 0.00 33.01 32.92 2b60 s GLN 7 CO 0.59 0.19 1.63 0.54 -2.12 0.00 0.00 175.29 176.12 2b60 n ARG 8 N 0.00 2.63 -2.04 2.91 1.74 -1.26 -4.85 116.66 115.79 2b60 n ARG 8 Ca -0.11 0.94 -0.38 0.00 -0.77 0.00 0.00 57.85 57.52 2b60 n ARG 8 Cb 0.59 -2.74 -0.03 0.00 -1.02 0.00 0.00 32.46 29.26 2b60 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2b60 n PRO 9 N 3.00 2.39 -3.10 5.56 -0.04 -1.26 -4.96 135.00 136.58 2b60 n PRO 9 Ca 0.13 -2.69 -0.38 0.00 -0.04 0.00 0.00 63.50 60.52 2b60 n PRO 9 Cb 0.35 -3.44 -0.06 0.00 -0.04 0.00 0.00 33.50 30.31 2b60 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2b60 s LEU 10 N 5.40 4.45 0.08 1.53 1.43 -1.26 -1.47 118.68 128.84 2b60 s LEU 10 Ca 0.58 1.45 0.04 0.00 -1.03 0.00 0.00 54.13 55.16 2b60 s LEU 10 Cb 0.06 -3.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 2b60 s LEU 10 CO 0.07 0.13 -0.11 0.68 0.23 0.00 0.00 176.35 177.36 2b60 s VAL 11 N -1.34 0.92 -0.15 -1.59 -7.23 -0.07 -4.95 120.40 105.98 2b60 s VAL 11 Ca 0.38 -1.48 -0.17 0.00 -1.81 0.00 0.00 61.98 58.91 2b60 s VAL 11 Cb -0.19 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.53 2b60 s VAL 11 CO 0.22 -0.46 0.42 -0.89 -0.31 0.00 0.00 175.10 174.09 2b60 s THR 12 N -2.01 5.21 0.18 5.32 2.01 -1.26 -1.07 115.64 124.01 2b60 s THR 12 Ca 0.01 0.81 0.09 0.00 0.31 0.00 0.00 61.69 62.91 2b60 s THR 12 Cb -0.06 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2b60 s THR 12 CO 0.01 0.31 -0.18 0.27 -0.69 0.00 0.00 174.62 174.34 2b60 s ILE 13 N 0.84 1.86 -0.07 1.82 -5.25 0.30 -2.32 121.20 118.38 2b60 s ILE 13 Ca 0.22 -2.02 0.04 0.00 -0.99 0.00 0.00 60.65 57.90 2b60 s ILE 13 Cb -0.15 -1.93 0.00 0.00 2.95 0.00 0.00 42.46 43.33 2b60 s ILE 13 CO 0.08 -0.38 -0.19 -0.75 -1.79 0.00 0.00 174.94 171.91 2b60 s LYS 14 N -3.04 2.25 -0.20 0.37 2.20 -0.60 -1.53 119.74 119.19 2b60 s LYS 14 Ca 0.18 -0.69 -0.13 0.00 -0.36 0.00 0.00 55.97 54.98 2b60 s LYS 14 Cb -0.05 -1.83 0.06 0.00 -1.51 0.00 0.00 37.83 34.50 2b60 s LYS 14 CO 0.07 0.20 0.49 -1.50 -0.36 0.00 0.00 175.35 174.25 2b60 s ILE 15 N 0.23 -0.01 -1.52 5.43 2.07 -0.20 -0.86 121.20 126.33 2b60 s ILE 15 Ca -0.10 0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.16 2b60 s ILE 15 Cb -0.15 -0.71 0.01 0.00 0.13 0.00 0.00 42.46 41.74 2b60 s ILE 15 CO 0.05 0.02 0.23 0.61 -1.91 0.00 0.00 174.94 173.94 2b60 n GLY 16 N 3.90 -0.51 2.72 1.50 0.00 -1.26 -0.74 105.19 110.80 2b60 n GLY 16 Ca -0.20 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2b60 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b60 n GLY 17 N -1.14 0.44 3.54 -0.02 0.00 -1.26 -4.99 105.19 101.76 2b60 n GLY 17 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2b60 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2b60 s GLN 18 N -0.58 2.13 0.01 1.61 -0.21 0.08 -5.13 119.66 117.57 2b60 s GLN 18 Ca 0.00 -0.99 -0.07 0.00 0.02 0.00 0.00 55.36 54.32 2b60 s GLN 18 Cb 0.00 -2.28 -0.05 0.00 1.00 0.00 0.00 33.01 31.68 2b60 s GLN 18 CO 0.00 0.53 0.28 -0.51 -2.12 0.00 0.00 175.29 173.47 2b60 s LEU 19 N -1.91 4.37 0.17 2.90 1.02 -1.26 -1.04 118.68 122.94 2b60 s LEU 19 Ca 0.19 0.59 -0.19 0.00 0.02 0.00 0.00 54.13 54.73 2b60 s LEU 19 Cb -0.11 -2.68 0.04 0.00 0.02 0.00 0.00 46.19 43.46 2b60 s LEU 19 CO 0.10 0.25 0.53 -0.13 0.02 0.00 0.00 176.35 177.13 2b60 s ARG 20 N -1.73 1.29 -0.03 1.70 1.81 -0.58 -5.00 118.95 116.41 2b60 s ARG 20 Ca 0.28 -0.69 0.03 0.00 -1.72 0.00 0.00 55.73 53.62 2b60 s ARG 20 Cb -0.13 0.54 -0.03 0.00 -0.45 0.00 0.00 34.95 34.88 2b60 s ARG 20 CO 0.16 -0.55 -0.11 -1.21 -0.68 0.00 0.00 175.30 172.91 2b60 s GLU 21 N -3.82 2.52 0.05 3.54 2.02 -1.26 -0.54 118.70 121.22 2b60 s GLU 21 Ca 0.05 -0.70 -0.04 0.00 0.02 0.00 0.00 54.97 54.29 2b60 s GLU 21 Cb -0.01 -2.43 -0.02 0.00 0.10 0.00 0.00 34.13 31.77 2b60 s GLU 21 CO -0.08 0.62 0.07 0.00 0.02 0.00 0.00 175.26 175.89 2b60 s ALA 22 N -0.84 0.10 -0.20 5.21 0.00 -0.23 -4.58 121.76 121.22 2b60 s ALA 22 Ca 0.13 -0.78 -0.19 0.00 0.00 0.00 0.00 51.96 51.12 2b60 s ALA 22 Cb -0.11 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 2b60 s ALA 22 CO 0.03 -0.37 0.54 -1.17 0.00 0.00 0.00 175.76 174.79 2b60 s LEU 23 N -2.51 4.15 -0.56 0.00 2.96 -0.22 -0.89 118.68 121.60 2b60 s LEU 23 Ca 0.01 0.71 -0.28 0.00 -0.22 0.00 0.00 54.13 54.35 2b60 s LEU 23 Cb 0.03 -2.74 0.01 0.00 0.50 0.00 0.00 46.19 43.98 2b60 s LEU 23 CO -0.08 -0.20 1.51 -0.76 -1.32 0.00 0.00 176.35 175.51 2b60 s LEU 24 N 1.67 3.39 -0.46 -0.68 1.43 -0.54 -0.80 118.68 122.69 2b60 s LEU 24 Ca 0.25 0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 53.66 2b60 s LEU 24 Cb -0.15 -3.00 0.12 0.00 0.03 0.00 0.00 46.19 43.19 2b60 s LEU 24 CO 0.10 -1.81 0.28 -0.62 0.23 0.00 0.00 176.35 174.52 2b60 s ASP 25 N 5.09 5.38 0.20 2.29 -1.08 -0.74 -4.80 116.67 123.01 2b60 s ASP 25 Ca 0.56 -2.12 0.20 0.00 -0.52 0.00 0.00 52.55 50.67 2b60 s ASP 25 Cb -0.12 -1.88 0.88 0.00 -1.46 0.00 0.00 42.92 40.34 2b60 s ASP 25 CO 0.25 -0.56 1.62 0.35 0.52 0.00 0.00 175.17 177.35 2b60 n THR 26 N 4.51 0.95 -0.17 1.71 -2.24 -1.26 -2.07 114.28 115.71 2b60 n THR 26 Ca -0.02 0.32 0.07 0.00 -2.27 0.00 0.00 64.05 62.15 2b60 n THR 26 Cb 0.41 -1.23 0.29 0.00 -2.10 0.00 0.00 70.33 67.70 2b60 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b60 n GLY 27 N -0.26 2.21 3.07 3.38 0.00 -1.26 -4.85 105.19 107.47 2b60 n GLY 27 Ca 0.02 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 2b60 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b60 s ALA 28 N -1.86 1.63 0.09 4.61 0.00 -0.88 -5.00 121.76 120.36 2b60 s ALA 28 Ca 0.40 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.57 2b60 s ALA 28 Cb 0.27 -0.75 -0.18 0.00 0.00 0.00 0.00 23.12 22.46 2b60 s ALA 28 CO 0.18 0.03 1.26 -0.44 0.00 0.00 0.00 175.76 176.80 2b60 h ASP 29 N 7.18 0.90 -1.51 0.00 3.32 -1.89 0.20 116.42 124.63 2b60 h ASP 29 Ca -0.29 -0.65 -0.52 0.00 0.02 0.00 0.00 57.03 55.59 2b60 h ASP 29 Cb 1.19 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.42 2b60 h ASP 29 CO 0.48 1.45 -0.41 -1.81 -1.72 0.00 0.00 179.24 177.23 2b60 s ASP 30 N -7.19 4.84 -0.18 6.45 1.01 -1.26 -2.02 116.67 118.32 2b60 s ASP 30 Ca -0.10 -0.87 -0.05 0.00 0.71 0.00 0.00 52.55 52.25 2b60 s ASP 30 Cb 0.08 -0.51 -0.03 0.00 1.01 0.00 0.00 42.92 43.47 2b60 s ASP 30 CO 0.91 -0.64 0.00 -0.89 0.21 0.00 0.00 175.17 174.77 2b60 s THR 31 N -2.52 4.13 -0.01 -1.27 2.01 -1.26 -2.86 115.64 113.86 2b60 s THR 31 Ca 0.46 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 62.23 2b60 s THR 31 Cb -0.01 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 2b60 s THR 31 CO 0.26 0.45 -0.10 -0.51 -0.69 0.00 0.00 174.62 174.03 2b60 s ILE 32 N 0.66 0.81 -0.01 1.82 1.10 -0.51 -0.82 121.20 124.25 2b60 s ILE 32 Ca -0.00 -0.43 0.05 0.00 -0.51 0.00 0.00 60.65 59.76 2b60 s ILE 32 Cb -0.14 -0.68 -0.01 0.00 0.15 0.00 0.00 42.46 41.77 2b60 s ILE 32 CO 0.02 0.23 -0.16 -0.36 -2.11 0.00 0.00 174.94 172.56 2b60 s PHE 33 N -0.19 1.43 -0.04 3.50 0.40 0.06 -0.51 117.98 122.63 2b60 s PHE 33 Ca 0.03 -0.27 -0.17 0.00 -0.60 0.00 0.00 56.93 55.92 2b60 s PHE 33 Cb -0.04 -0.92 -0.05 0.00 0.51 0.00 0.00 43.02 42.51 2b60 s PHE 33 CO -0.00 -0.03 0.47 -1.83 0.70 0.00 0.00 175.22 174.53 2b60 s GLU 34 N -0.37 4.16 0.00 0.44 -1.05 -1.26 -1.76 118.70 118.86 2b60 s GLU 34 Ca 0.06 0.49 0.00 0.00 -0.15 0.00 0.00 54.97 55.37 2b60 s GLU 34 Cb -0.06 -3.32 0.00 0.00 -0.44 0.00 0.00 34.13 30.31 2b60 s GLU 34 CO -0.01 0.45 0.00 0.39 0.95 0.00 0.00 175.26 177.04 2b60 n GLU 35 N 2.61 -0.21 -3.97 -4.83 1.02 -1.26 -4.97 120.64 109.03 2b60 n GLU 35 Ca -0.10 0.56 -0.09 0.00 -0.02 0.00 0.00 57.16 57.51 2b60 n GLU 35 Cb 0.52 -0.70 -0.10 0.00 -0.02 0.00 0.00 31.44 31.13 2b60 n GLU 35 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2b60 s ILE 36 N -0.70 0.14 -0.33 -3.67 -4.36 -1.26 -5.13 121.20 105.88 2b60 s ILE 36 Ca 0.00 -1.14 -0.09 0.00 -0.26 0.00 0.00 60.65 59.17 2b60 s ILE 36 Cb 0.00 -0.75 0.02 0.00 1.25 0.00 0.00 42.46 42.98 2b60 s ILE 36 CO 0.00 -0.63 0.14 -0.94 0.24 0.00 0.00 174.94 173.75 2b60 s SER 37 N -1.98 5.44 -0.02 4.36 1.04 -1.26 -5.07 113.70 116.20 2b60 s SER 37 Ca -0.07 -0.84 0.02 0.00 0.48 0.00 0.00 55.95 55.53 2b60 s SER 37 Cb -0.03 -1.95 -0.03 0.00 0.10 0.00 0.00 66.02 64.11 2b60 s SER 37 CO -0.04 -0.28 -0.06 -0.76 0.98 0.00 0.00 173.24 173.08 2b60 s LEU 38 N 1.52 3.18 0.61 2.42 1.43 -1.26 -4.90 118.68 121.68 2b60 s LEU 38 Ca 0.02 -0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 52.88 2b60 s LEU 38 Cb -0.18 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 2b60 s LEU 38 CO 0.05 0.31 1.07 -2.16 0.23 0.00 0.00 176.35 175.85 2b60 s PRO 39 N -1.18 3.19 0.17 1.29 0.04 -1.26 -4.99 135.00 132.26 2b60 s PRO 39 Ca 0.15 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2b60 s PRO 39 Cb -0.11 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2b60 s PRO 39 CO 0.05 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.58 2b60 n GLY 40 N -0.90 -2.53 3.87 0.56 0.00 -1.26 -4.98 105.19 99.95 2b60 n GLY 40 Ca 0.09 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 2b60 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b60 s ARG 41 N -0.36 2.24 0.22 1.61 0.52 -1.26 -5.08 118.95 116.84 2b60 s ARG 41 Ca 0.00 0.34 -0.21 0.00 -0.52 0.00 0.00 55.73 55.33 2b60 s ARG 41 Cb 0.00 -1.96 0.04 0.00 0.52 0.00 0.00 34.95 33.55 2b60 s ARG 41 CO 0.00 -1.45 0.64 1.67 0.02 0.00 0.00 175.30 176.18 2b60 s TRP 42 N -3.41 -0.30 -0.10 -0.53 1.48 -1.26 -4.77 118.94 110.05 2b60 s TRP 42 Ca 0.61 -0.05 0.03 0.00 -1.06 0.00 0.00 56.10 55.63 2b60 s TRP 42 Cb -0.12 0.60 0.01 0.00 -1.16 0.00 0.00 33.47 32.80 2b60 s TRP 42 CO 0.51 -1.04 -0.19 0.15 -4.06 0.00 0.00 176.95 172.32 2b60 s LYS 43 N -3.85 2.50 0.60 3.25 1.02 -0.82 -4.89 119.74 117.55 2b60 s LYS 43 Ca 0.07 -0.68 -0.18 0.00 0.02 0.00 0.00 55.97 55.21 2b60 s LYS 43 Cb -0.03 -1.99 -0.06 0.00 -0.52 0.00 0.00 37.83 35.23 2b60 s LYS 43 CO -0.02 0.05 0.76 -2.30 -0.92 0.00 0.00 175.35 172.93 2b60 n PRO 44 N 3.84 0.68 -3.53 -1.68 -0.02 -1.26 -1.80 135.00 131.23 2b60 n PRO 44 Ca -0.20 0.27 -0.15 0.00 -2.02 0.00 0.00 63.50 61.40 2b60 n PRO 44 Cb 0.52 -1.97 -0.05 0.00 -0.02 0.00 0.00 33.50 31.98 2b60 n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2b60 s LYS 45 N -2.53 0.92 -0.01 -0.52 2.20 -0.43 -4.83 119.74 114.55 2b60 s LYS 45 Ca 0.73 0.16 0.06 0.00 -0.36 0.00 0.00 55.97 56.56 2b60 s LYS 45 Cb -0.42 0.43 -0.03 0.00 -1.51 0.00 0.00 37.83 36.31 2b60 s LYS 45 CO 0.50 -0.30 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.37 2b60 s MET 46 N -1.39 2.27 -0.03 4.03 -1.94 -1.26 -0.41 119.30 120.57 2b60 s MET 46 Ca -0.07 -0.85 0.06 0.00 -1.71 0.00 0.00 55.69 53.13 2b60 s MET 46 Cb -0.00 -2.25 -0.01 0.00 2.01 0.00 0.00 34.83 34.58 2b60 s MET 46 CO 0.05 0.58 -0.21 0.42 -0.01 0.00 0.00 175.02 175.85 2b60 s ILE 47 N -0.78 1.71 0.24 2.53 1.09 -0.61 -4.97 121.20 120.41 2b60 s ILE 47 Ca 0.12 -0.91 0.07 0.00 -1.10 0.00 0.00 60.65 58.83 2b60 s ILE 47 Cb -0.10 -1.44 -0.04 0.00 -1.06 0.00 0.00 42.46 39.82 2b60 s ILE 47 CO 0.02 0.48 0.21 -0.83 -0.10 0.00 0.00 174.94 174.72 2b60 s GLY 48 N -0.33 1.43 0.02 6.18 0.00 -1.26 -1.12 107.32 112.24 2b60 s GLY 48 Ca 0.04 -1.37 -0.10 0.00 0.00 0.00 0.00 44.72 43.29 2b60 s GLY 48 CO 0.01 -1.40 0.44 0.61 0.00 0.00 0.00 173.10 172.75 2b60 n GLY 49 N -1.09 0.67 3.67 0.20 0.00 -0.54 -4.98 105.19 103.12 2b60 n GLY 49 Ca -0.08 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 2b60 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b60 s ILE 50 N -2.20 3.33 0.00 -0.61 1.01 -1.26 -2.36 121.20 119.12 2b60 s ILE 50 Ca 0.10 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.30 2b60 s ILE 50 Cb -0.01 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.11 2b60 s ILE 50 CO 0.01 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.52 2b60 n GLY 51 N 4.13 2.13 0.00 6.18 0.00 -1.26 -4.98 105.19 111.39 2b60 n GLY 51 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2b60 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b60 n GLY 52 N -0.99 0.70 3.50 -0.02 0.00 -0.99 -5.12 105.19 102.27 2b60 n GLY 52 Ca 0.00 -1.97 -0.24 0.00 0.00 0.00 0.00 46.02 43.80 2b60 n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2b60 s PHE 53 N -1.87 2.28 0.03 1.61 -0.71 -1.26 -1.47 117.98 116.58 2b60 s PHE 53 Ca 0.00 -0.50 -0.00 0.00 -1.04 0.00 0.00 56.93 55.39 2b60 s PHE 53 Cb 0.00 -1.23 -0.02 0.00 -1.21 0.00 0.00 43.02 40.56 2b60 s PHE 53 CO 0.00 0.56 -0.03 0.96 -1.34 0.00 0.00 175.22 175.36 2b60 s ILE 54 N -2.67 0.14 -0.07 -4.49 -4.36 -0.28 -4.98 121.20 104.50 2b60 s ILE 54 Ca 0.31 -1.05 -0.20 0.00 -0.26 0.00 0.00 60.65 59.45 2b60 s ILE 54 Cb 0.01 -0.47 -0.04 0.00 1.25 0.00 0.00 42.46 43.21 2b60 s ILE 54 CO 0.15 -0.57 0.56 -0.54 0.24 0.00 0.00 174.94 174.78 2b60 s LYS 55 N -1.84 4.34 0.12 0.37 3.01 -1.26 -1.57 119.74 122.91 2b60 s LYS 55 Ca -0.12 0.62 0.01 0.00 -1.01 0.00 0.00 55.97 55.47 2b60 s LYS 55 Cb -0.07 -3.40 -0.04 0.00 -1.01 0.00 0.00 37.83 33.30 2b60 s LYS 55 CO -0.02 0.21 -0.01 0.14 0.51 0.00 0.00 175.35 176.18 2b60 s VAL 56 N 0.38 0.46 -0.07 3.17 -7.23 0.46 -4.38 120.40 113.18 2b60 s VAL 56 Ca 0.30 -1.92 -0.12 0.00 -1.81 0.00 0.00 61.98 58.43 2b60 s VAL 56 Cb -0.17 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 2b60 s VAL 56 CO 0.14 -0.68 0.30 -0.13 -0.31 0.00 0.00 175.10 174.43 2b60 s ARG 57 N -3.93 3.86 -0.29 4.82 0.52 0.05 -1.31 118.95 122.69 2b60 s ARG 57 Ca 0.18 0.18 -0.06 0.00 -0.52 0.00 0.00 55.73 55.51 2b60 s ARG 57 Cb 0.07 -3.26 0.01 0.00 0.52 0.00 0.00 34.95 32.29 2b60 s ARG 57 CO -0.01 0.60 0.05 -1.14 0.02 0.00 0.00 175.30 174.82 2b60 s GLN 58 N -0.68 3.01 -0.13 3.54 0.74 -0.74 -1.37 119.66 124.02 2b60 s GLN 58 Ca 0.20 -0.90 -0.03 0.00 0.05 0.00 0.00 55.36 54.67 2b60 s GLN 58 Cb -0.14 -3.29 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 2b60 s GLN 58 CO 0.08 -0.44 -0.01 0.71 -0.55 0.00 0.00 175.29 175.08 2b60 s TYR 59 N 1.45 3.09 0.30 1.67 1.51 -0.35 -1.95 117.35 123.07 2b60 s TYR 59 Ca 0.02 -0.08 0.07 0.00 -1.01 0.00 0.00 57.07 56.06 2b60 s TYR 59 Cb -0.17 -1.91 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 2b60 s TYR 59 CO 0.01 0.16 0.28 -0.51 -1.11 0.00 0.00 175.55 174.38 2b60 s ASP 60 N -0.07 5.51 -1.39 2.29 1.01 -1.26 -0.25 116.67 122.51 2b60 s ASP 60 Ca 0.03 -0.34 -0.08 0.00 0.71 0.00 0.00 52.55 52.87 2b60 s ASP 60 Cb -0.13 -1.21 0.03 0.00 1.01 0.00 0.00 42.92 42.63 2b60 s ASP 60 CO 0.02 -0.23 1.01 0.00 0.21 0.00 0.00 175.17 176.18 2b60 n GLN 61 N -1.34 -6.41 -3.49 8.23 6.02 -1.12 -4.88 117.38 114.39 2b60 n GLN 61 Ca -0.04 0.71 -0.39 0.00 -0.01 0.00 0.00 57.00 57.27 2b60 n GLN 61 Cb 0.59 -5.62 -0.10 0.00 1.02 0.00 0.00 30.24 26.12 2b60 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2b60 s ILE 62 N -3.38 5.24 0.10 5.09 -1.09 0.92 -4.76 121.20 123.32 2b60 s ILE 62 Ca 0.44 0.34 -0.31 0.00 -2.23 0.00 0.00 60.65 58.89 2b60 s ILE 62 Cb -0.21 -3.62 -0.08 0.00 -1.58 0.00 0.00 42.46 36.96 2b60 s ILE 62 CO 0.78 0.19 1.57 -2.84 -1.23 0.00 0.00 174.94 173.41 2b60 s PRO 63 N 1.91 4.23 -0.05 2.79 0.02 -1.26 -2.06 135.00 140.57 2b60 s PRO 63 Ca 0.11 2.27 -0.04 0.00 0.02 0.00 0.00 61.00 63.36 2b60 s PRO 63 Cb -0.16 -3.42 0.02 0.00 0.02 0.00 0.00 34.50 30.96 2b60 s PRO 63 CO 0.11 -0.64 0.13 -1.50 -0.33 0.00 0.00 177.00 174.76 2b60 s ILE 64 N 1.96 -0.01 -0.26 2.83 2.07 0.03 -4.21 121.20 123.61 2b60 s ILE 64 Ca 0.71 0.05 -0.07 0.00 -1.41 0.00 0.00 60.65 59.92 2b60 s ILE 64 Cb -0.40 -0.20 -0.02 0.00 0.13 0.00 0.00 42.46 41.97 2b60 s ILE 64 CO 0.31 0.02 0.07 -0.70 -1.91 0.00 0.00 174.94 172.73 2b60 s GLU 65 N 0.35 3.58 -0.27 3.50 2.12 -0.04 -1.53 118.70 126.42 2b60 s GLU 65 Ca -0.02 -0.53 0.02 0.00 0.36 0.00 0.00 54.97 54.80 2b60 s GLU 65 Cb -0.04 -3.34 0.06 0.00 0.26 0.00 0.00 34.13 31.08 2b60 s GLU 65 CO -0.01 -0.22 -0.09 0.42 -0.54 0.00 0.00 175.26 174.81 2b60 s ILE 66 N 1.60 2.33 -1.40 -3.70 1.01 0.71 -1.56 121.20 120.19 2b60 s ILE 66 Ca 0.06 -1.58 -0.00 0.00 0.00 0.00 0.00 60.65 59.13 2b60 s ILE 66 Cb -0.15 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 39.96 2b60 s ILE 66 CO 0.04 -0.04 0.44 0.00 0.00 0.00 0.00 174.94 175.38 2b60 n GLY 68 N -1.95 2.85 3.60 0.00 0.00 -1.26 -4.98 105.19 103.44 2b60 n GLY 68 Ca -0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2b60 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2b60 s HIS 69 N -3.05 3.21 -0.28 1.61 4.02 -0.15 -5.03 115.29 115.62 2b60 s HIS 69 Ca 0.00 0.62 -0.24 0.00 1.02 0.00 0.00 55.06 56.46 2b60 s HIS 69 Cb 0.00 -3.01 -0.00 0.00 -1.02 0.00 0.00 32.58 28.54 2b60 s HIS 69 CO 0.00 -0.48 0.79 0.15 1.02 0.00 0.00 174.74 176.22 2b60 s LYS 70 N 2.65 4.05 0.25 1.40 1.02 -1.26 -0.21 119.74 127.64 2b60 s LYS 70 Ca 0.26 0.71 -0.02 0.00 0.02 0.00 0.00 55.97 56.95 2b60 s LYS 70 Cb -0.15 -3.69 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 2b60 s LYS 70 CO 0.12 -0.60 0.26 0.14 -0.92 0.00 0.00 175.35 174.34 2b60 s VAL 71 N 2.89 0.00 0.02 3.17 -7.23 -0.58 -5.02 120.40 113.64 2b60 s VAL 71 Ca 0.33 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.68 2b60 s VAL 71 Cb -0.15 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.31 2b60 s VAL 71 CO 0.10 0.00 -0.10 -0.51 -0.31 0.00 0.00 175.10 174.28 2b60 s ILE 72 N -3.88 0.79 0.01 -0.62 2.07 -1.26 -0.79 121.20 117.52 2b60 s ILE 72 Ca 0.35 -0.73 -0.09 0.00 -1.41 0.00 0.00 60.65 58.78 2b60 s ILE 72 Cb 0.04 -0.72 0.03 0.00 0.13 0.00 0.00 42.46 41.94 2b60 s ILE 72 CO 0.15 0.01 0.39 0.61 -1.91 0.00 0.00 174.94 174.19 2b60 n GLY 73 N 2.25 0.63 3.72 1.50 0.00 -0.87 -4.87 105.19 107.55 2b60 n GLY 73 Ca -0.17 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 2b60 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b60 s THR 74 N -2.18 4.69 -0.06 2.61 2.01 -1.26 -0.05 115.64 121.40 2b60 s THR 74 Ca 0.09 2.06 0.02 0.00 0.31 0.00 0.00 61.69 64.18 2b60 s THR 74 Cb -0.00 -4.32 0.01 0.00 0.01 0.00 0.00 72.50 68.19 2b60 s THR 74 CO 0.00 0.24 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.36 2b60 s VAL 75 N 0.50 1.08 -0.04 3.82 1.01 0.66 -4.54 120.40 122.90 2b60 s VAL 75 Ca 0.49 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 2b60 s VAL 75 Cb -0.22 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2b60 s VAL 75 CO 0.29 0.34 0.12 -0.76 0.00 0.00 0.00 175.10 175.09 2b60 s LEU 76 N 0.53 4.16 -0.08 3.92 1.43 -0.00 -1.22 118.68 127.42 2b60 s LEU 76 Ca -0.11 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 2b60 s LEU 76 Cb -0.14 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.79 2b60 s LEU 76 CO 0.03 0.31 -0.13 -0.69 0.23 0.00 0.00 176.35 176.10 2b60 s VAL 77 N -1.17 1.23 -0.03 -1.59 1.01 -0.47 -0.76 120.40 118.61 2b60 s VAL 77 Ca 0.22 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 2b60 s VAL 77 Cb -0.12 -1.14 0.10 0.00 0.00 0.00 0.00 36.38 35.22 2b60 s VAL 77 CO 0.12 0.38 1.30 -0.83 0.00 0.00 0.00 175.10 176.08 2b60 s GLY 78 N 0.85 -0.15 -1.14 4.51 0.00 -0.72 -0.77 107.32 109.90 2b60 s GLY 78 Ca -0.11 0.08 -0.25 0.00 0.00 0.00 0.00 44.72 44.44 2b60 s GLY 78 CO 0.01 5.77 2.02 -1.55 0.00 0.00 0.00 173.10 179.35 2b60 n PRO 79 N -0.91 0.89 -4.78 2.90 -0.04 -1.26 -4.09 135.00 127.71 2b60 n PRO 79 Ca 0.04 -2.11 -0.31 0.00 -0.04 0.00 0.00 63.50 61.08 2b60 n PRO 79 Cb 0.59 -3.83 -0.13 0.00 -0.04 0.00 0.00 33.50 30.08 2b60 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2b60 s THR 80 N 14.08 2.84 -0.97 0.52 -1.32 -1.26 -4.99 115.64 124.53 2b60 s THR 80 Ca 0.75 -1.03 0.25 0.00 -1.21 0.00 0.00 61.69 60.45 2b60 s THR 80 Cb -0.03 -2.15 0.21 0.00 -1.51 0.00 0.00 72.50 69.02 2b60 s THR 80 CO 0.16 0.44 1.79 -2.65 -2.21 0.00 0.00 174.62 172.15 2b60 n PRO 81 N 1.85 0.02 -3.72 7.08 -0.02 -1.26 -4.57 135.00 134.38 2b60 n PRO 81 Ca -0.16 0.09 -0.13 0.00 -2.02 0.00 0.00 63.50 61.27 2b60 n PRO 81 Cb 0.52 -1.53 -0.10 0.00 -0.02 0.00 0.00 33.50 32.38 2b60 n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2b60 s ALA 82 N -3.01 -1.11 0.06 3.55 0.00 -1.26 -5.08 121.76 114.91 2b60 s ALA 82 Ca 0.12 1.24 -0.31 0.00 0.00 0.00 0.00 51.96 53.01 2b60 s ALA 82 Cb 0.16 -0.70 -0.06 0.00 0.00 0.00 0.00 23.12 22.52 2b60 s ALA 82 CO 0.46 -0.22 1.34 -0.80 0.00 0.00 0.00 175.76 176.54 2b60 s ASN 83 N 0.16 6.90 -0.03 0.00 0.01 -1.26 -4.76 114.94 115.97 2b60 s ASN 83 Ca -0.01 2.17 0.06 0.00 -0.71 0.00 0.00 52.86 54.37 2b60 s ASN 83 Cb -0.03 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 2b60 s ASN 83 CO 0.01 -0.62 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.14 2b60 s ILE 84 N 1.49 1.62 -0.33 0.60 1.01 0.33 -1.06 121.20 124.87 2b60 s ILE 84 Ca 0.63 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 60.33 2b60 s ILE 84 Cb -0.33 -1.36 0.02 0.00 0.01 0.00 0.00 42.46 40.80 2b60 s ILE 84 CO 0.29 0.46 0.13 -0.63 0.00 0.00 0.00 174.94 175.19 2b60 s ILE 85 N -0.34 4.14 0.68 2.92 -1.09 0.02 -1.42 121.20 126.11 2b60 s ILE 85 Ca 0.04 -0.86 -0.08 0.00 -2.23 0.00 0.00 60.65 57.53 2b60 s ILE 85 Cb -0.09 -3.25 0.15 0.00 -1.58 0.00 0.00 42.46 37.69 2b60 s ILE 85 CO 0.00 -0.10 0.93 0.61 -1.23 0.00 0.00 174.94 175.16 2b60 n GLY 86 N 4.90 -0.54 0.26 6.18 0.00 -1.13 -1.79 105.19 113.07 2b60 n GLY 86 Ca -0.13 -1.83 0.11 0.00 0.00 0.00 0.00 46.02 44.16 2b60 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2b60 h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.50 -0.52 114.38 118.04 2b60 h ARG 87 Ca -0.30 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 2b60 h ARG 87 Cb 0.94 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 2b60 h ARG 87 CO 0.25 0.09 -0.08 -2.95 -1.07 0.00 0.00 179.97 176.22 2b60 h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.65 -2.07 115.58 117.84 2b60 h ASN 88 Ca -0.00 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.17 2b60 h ASN 88 Cb 0.20 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.42 2b60 h ASN 88 CO 0.01 0.08 -1.79 0.18 0.07 0.00 0.00 177.43 175.98 2b60 n LEU 89 N -3.97 0.00 0.16 6.14 4.32 -0.78 -4.47 117.00 118.40 2b60 n LEU 89 Ca -0.02 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.02 2b60 n LEU 89 Cb 0.17 0.27 0.51 0.00 -1.62 0.00 0.00 43.42 42.75 2b60 n LEU 89 CO 0.31 0.27 1.03 0.24 -1.22 0.00 0.00 177.39 178.02 2b60 h MET 90 N 0.00 0.19 -0.07 3.23 2.86 -0.89 -1.06 114.93 119.20 2b60 h MET 90 Ca -0.30 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.20 2b60 h MET 90 Cb 1.64 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.25 2b60 h MET 90 CO 0.02 0.20 -0.49 1.79 1.06 0.00 0.00 176.91 179.49 2b60 h THR 91 N 0.19 1.34 0.00 2.22 1.35 -1.61 -1.74 112.91 114.67 2b60 h THR 91 Ca 0.05 -1.70 -0.03 0.00 -0.55 0.00 0.00 66.41 64.17 2b60 h THR 91 Cb 0.12 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2b60 h THR 91 CO 0.00 0.50 -0.16 1.56 -0.25 0.00 0.00 175.52 177.17 2b60 h GLN 92 N 0.15 0.00 -0.61 4.72 1.08 -1.41 -1.98 115.11 117.05 2b60 h GLN 92 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2b60 h GLN 92 Cb 0.92 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 2b60 h GLN 92 CO 0.07 0.16 0.00 0.44 -0.95 0.00 0.00 178.83 178.55 2b60 n ILE 93 N -4.10 0.94 -2.13 2.54 -5.35 -1.14 -4.95 119.36 105.18 2b60 n ILE 93 Ca -0.02 -0.97 -0.12 0.00 -0.27 0.00 0.00 62.75 61.37 2b60 n ILE 93 Cb 0.24 0.56 -0.01 0.00 -1.74 0.00 0.00 39.64 38.68 2b60 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2b60 n GLY 94 N 1.39 0.04 3.71 3.28 0.00 -0.75 -4.98 105.19 107.88 2b60 n GLY 94 Ca 0.21 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2b60 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b60 s THR 96 N 1.20 1.31 -0.07 0.00 -4.23 -1.26 -4.71 115.64 107.88 2b60 s THR 96 Ca 0.57 -2.09 -0.05 0.00 -1.18 0.00 0.00 61.69 58.94 2b60 s THR 96 Cb -0.27 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 2b60 s THR 96 CO 0.28 -0.54 0.14 -0.76 -0.54 0.00 0.00 174.62 173.20 2b60 s LEU 97 N -3.27 4.31 -0.01 4.79 1.43 -1.26 -5.08 118.68 119.59 2b60 s LEU 97 Ca 0.23 0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 53.69 2b60 s LEU 97 Cb 0.03 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.99 2b60 s LEU 97 CO 0.06 0.35 0.06 0.20 0.23 0.00 0.00 176.35 177.24 2b60 s ASN 98 N -1.38 0.01 0.00 2.29 -0.87 -1.26 -5.28 114.94 108.44 2b60 s ASN 98 Ca 0.20 -0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.44 2b60 s ASN 98 Cb -0.12 0.14 0.00 0.00 -0.02 0.00 0.00 41.25 41.25 2b60 s ASN 98 CO 0.10 -0.13 0.00 2.22 -2.57 0.00 0.00 177.10 176.72