#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cen s GLN 2 N 0.00 3.33 -0.23 0.54 0.74 -1.26 -5.10 119.66 117.69 2cen s GLN 2 Ca 0.00 -0.66 -0.06 0.00 0.05 0.00 0.00 55.36 54.69 2cen s GLN 2 Cb 0.00 -2.87 -0.02 0.00 1.10 0.00 0.00 33.01 31.22 2cen s GLN 2 CO 0.00 -0.11 0.03 0.42 -0.55 0.00 0.00 175.29 175.08 2cen s ILE 3 N 1.21 4.04 0.73 -2.34 1.01 -1.26 -5.10 121.20 119.49 2cen s ILE 3 Ca 0.02 -0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.29 2cen s ILE 3 Cb -0.14 -2.86 0.03 0.00 0.01 0.00 0.00 42.46 39.49 2cen s ILE 3 CO -0.03 0.38 1.09 0.42 0.00 0.00 0.00 174.94 176.81 2cen s THR 4 N 1.38 3.44 -0.18 2.92 -4.23 -1.26 -4.99 115.64 112.72 2cen s THR 4 Ca 0.05 0.47 0.17 0.00 -1.18 0.00 0.00 61.69 61.19 2cen s THR 4 Cb -0.15 -3.39 0.52 0.00 1.34 0.00 0.00 72.50 70.83 2cen s THR 4 CO 0.02 -0.61 1.41 0.18 -0.54 0.00 0.00 174.62 175.08 2cen n LEU 5 N -3.11 3.84 0.20 4.79 4.77 -1.26 -4.51 117.00 121.72 2cen n LEU 5 Ca 0.07 -3.02 0.04 0.00 -0.03 0.00 0.00 56.01 53.07 2cen n LEU 5 Cb 0.57 -0.54 0.45 0.00 -2.33 0.00 0.00 43.42 41.56 2cen n LEU 5 CO 0.57 0.68 0.85 -0.50 -1.33 0.00 0.00 177.39 177.66 2cen h TRP 6 N 1.75 0.03 -2.90 -1.77 4.06 -2.06 -3.43 115.95 111.64 2cen h TRP 6 Ca 0.00 -0.00 -0.45 0.00 2.06 0.00 0.00 58.89 60.49 2cen h TRP 6 Cb 1.43 -0.01 -0.14 0.00 -1.00 0.00 0.00 29.16 29.44 2cen h TRP 6 CO 0.48 0.26 -0.64 -0.65 -3.56 0.00 0.00 178.44 174.32 2cen s GLN 7 N -4.53 1.53 0.28 0.49 1.11 -1.26 -5.10 119.66 112.18 2cen s GLN 7 Ca -0.04 -1.80 -0.30 0.00 0.01 0.00 0.00 55.36 53.23 2cen s GLN 7 Cb 0.15 -0.90 -0.12 0.00 -1.01 0.00 0.00 33.01 31.13 2cen s GLN 7 CO 0.71 -0.08 1.62 1.03 0.01 0.00 0.00 175.29 178.58 2cen s ARG 8 N -3.82 4.11 -1.25 2.91 0.52 -1.26 -4.84 118.95 115.32 2cen s ARG 8 Ca 0.32 2.60 -0.20 0.00 -0.52 0.00 0.00 55.73 57.93 2cen s ARG 8 Cb 0.06 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.51 2cen s ARG 8 CO 0.12 -0.66 1.84 -0.35 0.02 0.00 0.00 175.30 176.27 2cen n PRO 9 N 2.46 2.52 -3.58 3.54 -0.04 -1.26 -4.94 135.00 133.69 2cen n PRO 9 Ca 0.09 -2.90 -0.37 0.00 -0.04 0.00 0.00 63.50 60.28 2cen n PRO 9 Cb 0.37 -3.56 -0.06 0.00 -0.04 0.00 0.00 33.50 30.20 2cen n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2cen s LEU 10 N 6.69 4.40 0.14 1.53 1.43 -1.26 -1.49 118.68 130.11 2cen s LEU 10 Ca 0.59 0.76 -0.00 0.00 -1.03 0.00 0.00 54.13 54.45 2cen s LEU 10 Cb 0.03 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 2cen s LEU 10 CO 0.10 0.28 0.04 0.68 0.23 0.00 0.00 176.35 177.67 2cen s VAL 11 N -0.64 0.27 -0.00 -1.59 -7.23 0.01 -4.95 120.40 106.26 2cen s VAL 11 Ca 0.20 -1.92 -0.16 0.00 -1.81 0.00 0.00 61.98 58.29 2cen s VAL 11 Cb -0.15 -2.04 -0.06 0.00 0.56 0.00 0.00 36.38 34.70 2cen s VAL 11 CO 0.09 -0.50 0.45 -0.89 -0.31 0.00 0.00 175.10 173.95 2cen s THR 12 N -3.93 4.99 0.20 5.32 2.01 -1.26 -0.41 115.64 122.55 2cen s THR 12 Ca 0.23 0.94 0.07 0.00 0.31 0.00 0.00 61.69 63.24 2cen s THR 12 Cb 0.07 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 2cen s THR 12 CO 0.02 0.53 -0.12 0.27 -0.69 0.00 0.00 174.62 174.63 2cen s ILE 13 N -0.79 1.55 -0.12 1.82 -4.36 0.86 -3.10 121.20 117.05 2cen s ILE 13 Ca 0.25 -2.16 0.01 0.00 -0.26 0.00 0.00 60.65 58.49 2cen s ILE 13 Cb -0.17 -2.04 0.02 0.00 1.25 0.00 0.00 42.46 41.52 2cen s ILE 13 CO 0.14 -0.60 -0.14 -0.75 0.24 0.00 0.00 174.94 173.83 2cen s LYS 14 N -3.69 2.18 -0.16 0.37 2.36 -0.12 -1.34 119.74 119.35 2cen s LYS 14 Ca 0.22 -0.53 -0.12 0.00 -2.55 0.00 0.00 55.97 52.99 2cen s LYS 14 Cb 0.01 -1.95 0.05 0.00 -1.05 0.00 0.00 37.83 34.89 2cen s LYS 14 CO 0.06 -0.15 0.41 -1.50 1.55 0.00 0.00 175.35 175.72 2cen s ILE 15 N 1.25 -0.01 -1.50 5.43 2.07 -0.12 -1.54 121.20 126.79 2cen s ILE 15 Ca -0.01 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.27 2cen s ILE 15 Cb -0.14 -0.59 0.00 0.00 0.13 0.00 0.00 42.46 41.86 2cen s ILE 15 CO -0.06 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.60 2cen n GLY 16 N 3.40 -0.36 2.15 1.50 0.00 -1.26 -0.64 105.19 109.98 2cen n GLY 16 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 2cen n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cen n GLY 17 N -0.89 0.76 3.22 -0.02 0.00 -1.26 -5.03 105.19 101.98 2cen n GLY 17 Ca -0.20 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.77 2cen n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cen s GLN 18 N -2.56 1.28 -0.24 1.61 -0.21 0.19 -5.12 119.66 114.61 2cen s GLN 18 Ca 0.00 -0.88 -0.10 0.00 0.02 0.00 0.00 55.36 54.40 2cen s GLN 18 Cb 0.00 -1.36 -0.05 0.00 1.00 0.00 0.00 33.01 32.60 2cen s GLN 18 CO 0.00 0.35 0.15 -0.51 -2.12 0.00 0.00 175.29 173.15 2cen s LEU 19 N -1.13 4.02 0.11 2.90 1.43 -1.26 -0.94 118.68 123.82 2cen s LEU 19 Ca 0.06 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2cen s LEU 19 Cb -0.08 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 2cen s LEU 19 CO 0.02 0.06 -0.05 -0.54 0.23 0.00 0.00 176.35 176.07 2cen s LYS 20 N 1.09 0.88 -0.17 1.70 1.02 -0.45 -4.97 119.74 118.84 2cen s LYS 20 Ca 0.07 -1.37 -0.09 0.00 0.02 0.00 0.00 55.97 54.60 2cen s LYS 20 Cb -0.14 -0.18 -0.05 0.00 -0.52 0.00 0.00 37.83 36.94 2cen s LYS 20 CO 0.05 -0.05 0.13 -2.00 -0.92 0.00 0.00 175.35 172.56 2cen s GLU 21 N -3.86 3.91 0.07 1.68 2.12 -1.26 -0.10 118.70 121.26 2cen s GLU 21 Ca 0.14 -0.19 -0.00 0.00 0.36 0.00 0.00 54.97 55.29 2cen s GLU 21 Cb 0.06 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 2cen s GLU 21 CO -0.03 0.48 -0.03 0.00 -0.54 0.00 0.00 175.26 175.14 2cen s ALA 22 N -0.16 0.68 -0.23 6.30 0.00 0.45 -4.48 121.76 124.31 2cen s ALA 22 Ca 0.11 -1.28 -0.10 0.00 0.00 0.00 0.00 51.96 50.69 2cen s ALA 22 Cb -0.11 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 2cen s ALA 22 CO 0.00 -0.35 0.14 -1.17 0.00 0.00 0.00 175.76 174.39 2cen s LEU 23 N -2.97 4.05 -0.42 0.00 2.96 0.00 -0.81 118.68 121.50 2cen s LEU 23 Ca 0.10 0.09 -0.29 0.00 -0.22 0.00 0.00 54.13 53.82 2cen s LEU 23 Cb 0.07 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.70 2cen s LEU 23 CO -0.07 0.07 1.28 -0.76 -1.32 0.00 0.00 176.35 175.55 2cen s LEU 24 N 1.00 3.65 -0.35 -0.68 1.43 -0.55 -0.41 118.68 122.77 2cen s LEU 24 Ca 0.07 0.75 0.04 0.00 -1.03 0.00 0.00 54.13 53.95 2cen s LEU 24 Cb -0.13 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.65 2cen s LEU 24 CO 0.04 -1.30 0.07 -0.62 0.23 0.00 0.00 176.35 174.77 2cen s ASP 25 N 3.16 4.65 0.24 2.29 -1.08 -0.43 -4.78 116.67 120.73 2cen s ASP 25 Ca 0.55 -2.19 0.22 0.00 -0.52 0.00 0.00 52.55 50.61 2cen s ASP 25 Cb -0.11 -1.56 0.96 0.00 -1.46 0.00 0.00 42.92 40.75 2cen s ASP 25 CO 0.30 -0.37 1.66 0.35 0.52 0.00 0.00 175.17 177.64 2cen n THR 26 N 4.20 0.92 0.35 1.71 -2.24 -1.26 -1.72 114.28 116.23 2cen n THR 26 Ca 0.04 0.34 0.09 0.00 -2.27 0.00 0.00 64.05 62.24 2cen n THR 26 Cb 0.41 -1.27 0.25 0.00 -2.10 0.00 0.00 70.33 67.62 2cen n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cen n GLY 27 N -0.29 1.46 3.38 3.38 0.00 -1.26 -4.84 105.19 107.01 2cen n GLY 27 Ca 0.01 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 2cen n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cen s ALA 28 N -1.33 2.83 0.17 4.61 0.00 -0.70 -4.99 121.76 122.34 2cen s ALA 28 Ca 0.36 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 2cen s ALA 28 Cb 0.19 -1.55 0.05 0.00 0.00 0.00 0.00 23.12 21.81 2cen s ALA 28 CO 0.25 -0.07 1.51 -0.44 0.00 0.00 0.00 175.76 177.01 2cen h ASP 29 N 7.35 0.84 -1.42 0.00 5.19 -1.88 -0.25 116.42 126.25 2cen h ASP 29 Ca -0.34 -0.39 -0.62 0.00 -0.62 0.00 0.00 57.03 55.06 2cen h ASP 29 Cb 1.18 -0.24 -0.12 0.00 0.18 0.00 0.00 39.33 40.34 2cen h ASP 29 CO 0.60 1.15 -0.55 -1.81 -3.12 0.00 0.00 179.24 175.50 2cen s ASP 30 N -6.86 4.09 -0.21 6.45 1.01 -1.26 -3.33 116.67 116.56 2cen s ASP 30 Ca -0.10 -1.33 -0.07 0.00 0.71 0.00 0.00 52.55 51.77 2cen s ASP 30 Cb 0.11 -0.26 -0.03 0.00 1.01 0.00 0.00 42.92 43.75 2cen s ASP 30 CO 0.86 -0.55 0.05 -0.89 0.21 0.00 0.00 175.17 174.85 2cen s THR 31 N -2.71 4.50 -0.06 -1.27 2.01 -1.26 -2.96 115.64 113.89 2cen s THR 31 Ca 0.32 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.21 2cen s THR 31 Cb 0.07 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.55 2cen s THR 31 CO 0.17 0.41 -0.07 0.54 -0.69 0.00 0.00 174.62 174.99 2cen s VAL 32 N 0.87 0.73 0.19 3.82 0.11 -0.52 -0.62 120.40 124.98 2cen s VAL 32 Ca 0.03 -0.22 0.09 0.00 -2.93 0.00 0.00 61.98 58.95 2cen s VAL 32 Cb -0.14 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 2cen s VAL 32 CO 0.02 0.27 -0.10 -0.76 -3.33 0.00 0.00 175.10 171.21 2cen s LEU 33 N 0.97 2.94 0.97 2.54 1.43 0.63 -0.85 118.68 127.31 2cen s LEU 33 Ca -0.10 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 2cen s LEU 33 Cb -0.14 -1.62 0.17 0.00 0.03 0.00 0.00 46.19 44.63 2cen s LEU 33 CO 0.00 0.10 1.10 -1.61 0.23 0.00 0.00 176.35 176.17 2cen s GLU 34 N -2.88 0.64 -0.13 1.70 2.02 -1.26 -1.66 118.70 117.13 2cen s GLU 34 Ca 0.25 1.23 -0.40 0.00 0.02 0.00 0.00 54.97 56.07 2cen s GLU 34 Cb -0.08 -1.71 -0.18 0.00 0.10 0.00 0.00 34.13 32.26 2cen s GLU 34 CO 0.15 -2.78 1.40 -1.91 0.02 0.00 0.00 175.26 172.13 2cen n GLU 35 N -4.31 0.59 -3.75 1.61 4.07 -1.21 -4.57 120.64 113.08 2cen n GLU 35 Ca 0.09 0.21 -0.06 0.00 -0.06 0.00 0.00 57.16 57.34 2cen n GLU 35 Cb 0.53 -1.80 -0.02 0.00 -0.06 0.00 0.00 31.44 30.10 2cen n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2cen s MET 36 N 1.47 1.38 -0.09 5.31 0.23 -1.26 -5.04 119.30 121.30 2cen s MET 36 Ca 0.93 -0.73 -0.10 0.00 -1.03 0.00 0.00 55.69 54.75 2cen s MET 36 Cb -1.18 0.49 -0.05 0.00 -1.53 0.00 0.00 34.83 32.57 2cen s MET 36 CO 0.61 -0.63 0.24 0.45 -2.03 0.00 0.00 175.02 173.66 2cen s SER 37 N -2.88 6.52 0.03 -1.18 0.15 -1.26 -5.03 113.70 110.05 2cen s SER 37 Ca 0.10 0.62 0.02 0.00 0.70 0.00 0.00 55.95 57.39 2cen s SER 37 Cb -0.03 -2.14 -0.02 0.00 -1.71 0.00 0.00 66.02 62.12 2cen s SER 37 CO 0.02 0.33 -0.07 -0.76 1.20 0.00 0.00 173.24 173.96 2cen s LEU 38 N -0.78 2.24 0.63 3.45 1.43 -1.26 -4.93 118.68 119.46 2cen s LEU 38 Ca 0.18 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2cen s LEU 38 Cb -0.14 -0.11 -0.03 0.00 0.03 0.00 0.00 46.19 45.94 2cen s LEU 38 CO 0.07 -0.21 1.04 -2.16 0.23 0.00 0.00 176.35 175.31 2cen s PRO 39 N -1.47 3.49 0.31 1.29 0.04 -1.26 -4.96 135.00 132.43 2cen s PRO 39 Ca -0.11 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.68 2cen s PRO 39 Cb -0.10 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2cen s PRO 39 CO 0.00 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.80 2cen n GLY 40 N -2.71 -2.51 3.85 0.56 0.00 -1.26 -4.95 105.19 98.16 2cen n GLY 40 Ca 0.06 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 2cen n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cen s ARG 41 N -0.49 3.85 0.07 1.61 3.03 -1.26 -5.09 118.95 120.66 2cen s ARG 41 Ca 0.00 0.88 -0.05 0.00 2.03 0.00 0.00 55.73 58.60 2cen s ARG 41 Cb 0.00 -2.13 -0.02 0.00 -1.03 0.00 0.00 34.95 31.77 2cen s ARG 41 CO 0.00 -0.35 0.08 1.67 -1.13 0.00 0.00 175.30 175.57 2cen s TRP 42 N -2.77 0.33 0.04 5.89 1.48 -1.26 -4.40 118.94 118.24 2cen s TRP 42 Ca 0.58 -0.81 0.04 0.00 -1.06 0.00 0.00 56.10 54.84 2cen s TRP 42 Cb -0.10 -0.22 -0.02 0.00 -1.16 0.00 0.00 33.47 31.96 2cen s TRP 42 CO 0.38 -0.45 -0.11 0.21 -4.06 0.00 0.00 176.95 172.91 2cen s LYS 43 N -3.78 0.74 0.47 3.25 2.47 -0.59 -4.90 119.74 117.39 2cen s LYS 43 Ca 0.05 -0.69 -0.21 0.00 -1.56 0.00 0.00 55.97 53.56 2cen s LYS 43 Cb 0.06 -0.68 -0.08 0.00 -1.46 0.00 0.00 37.83 35.66 2cen s LYS 43 CO -0.10 0.16 1.05 -2.14 0.16 0.00 0.00 175.35 174.48 2cen s PRO 44 N -1.16 3.85 -0.01 4.03 0.02 -1.26 0.17 135.00 140.64 2cen s PRO 44 Ca -0.02 1.41 -0.16 0.00 0.02 0.00 0.00 61.00 62.25 2cen s PRO 44 Cb -0.08 -2.18 0.03 0.00 0.02 0.00 0.00 34.50 32.28 2cen s PRO 44 CO 0.01 -0.40 0.34 0.21 -0.33 0.00 0.00 177.00 176.83 2cen s LYS 45 N -3.08 0.71 -0.16 5.54 2.20 -0.56 -4.85 119.74 119.55 2cen s LYS 45 Ca 0.66 -0.19 -0.02 0.00 -0.36 0.00 0.00 55.97 56.06 2cen s LYS 45 Cb -0.18 0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 36.45 2cen s LYS 45 CO 0.22 -0.20 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.27 2cen s MET 46 N -1.43 3.38 0.04 4.03 -1.94 -1.26 -0.82 119.30 121.30 2cen s MET 46 Ca -0.13 -0.66 0.08 0.00 -1.71 0.00 0.00 55.69 53.28 2cen s MET 46 Cb -0.04 -2.77 -0.03 0.00 2.01 0.00 0.00 34.83 34.00 2cen s MET 46 CO 0.04 0.06 -0.24 0.96 -0.01 0.00 0.00 175.02 175.84 2cen s ILE 47 N 0.76 1.92 0.04 2.53 -4.36 -0.79 -4.96 121.20 116.34 2cen s ILE 47 Ca -0.04 -1.27 0.08 0.00 -0.26 0.00 0.00 60.65 59.16 2cen s ILE 47 Cb -0.15 -1.64 -0.03 0.00 1.25 0.00 0.00 42.46 41.88 2cen s ILE 47 CO 0.01 0.32 -0.20 -0.83 0.24 0.00 0.00 174.94 174.48 2cen s GLY 48 N -1.13 1.52 0.00 6.27 0.00 -1.26 -1.30 107.32 111.41 2cen s GLY 48 Ca 0.10 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.61 2cen s GLY 48 CO 0.02 -1.09 0.00 0.61 0.00 0.00 0.00 173.10 172.64 2cen n GLY 49 N 1.66 5.04 3.74 0.20 0.00 -0.02 -4.97 105.19 110.85 2cen n GLY 49 Ca -0.16 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 2cen n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cen s ILE 50 N -1.12 3.40 0.00 -0.61 1.09 -1.26 -2.15 121.20 120.56 2cen s ILE 50 Ca 0.00 1.20 0.00 0.00 -1.10 0.00 0.00 60.65 60.75 2cen s ILE 50 Cb 0.00 -3.77 0.00 0.00 -1.06 0.00 0.00 42.46 37.63 2cen s ILE 50 CO 0.00 0.20 0.00 0.61 -0.10 0.00 0.00 174.94 175.65 2cen n GLY 51 N 2.09 3.23 0.00 6.18 0.00 -1.26 -4.97 105.19 110.46 2cen n GLY 51 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2cen n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cen n GLY 52 N -1.48 0.57 3.82 -0.02 0.00 -0.91 -5.08 105.19 102.09 2cen n GLY 52 Ca 0.00 -2.22 -0.26 0.00 0.00 0.00 0.00 46.02 43.54 2cen n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cen s PHE 53 N -0.37 3.18 0.07 1.61 0.40 -1.26 -0.84 117.98 120.77 2cen s PHE 53 Ca 0.00 -0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.35 2cen s PHE 53 Cb 0.00 -1.52 -0.03 0.00 0.51 0.00 0.00 43.02 41.98 2cen s PHE 53 CO 0.00 0.52 -0.08 0.96 0.70 0.00 0.00 175.22 177.32 2cen s ILE 54 N -1.78 0.68 -0.12 0.64 -4.36 -0.42 -4.97 121.20 110.87 2cen s ILE 54 Ca 0.31 -1.41 -0.13 0.00 -0.26 0.00 0.00 60.65 59.16 2cen s ILE 54 Cb -0.10 -1.04 -0.05 0.00 1.25 0.00 0.00 42.46 42.53 2cen s ILE 54 CO 0.24 -0.53 0.31 -0.75 0.24 0.00 0.00 174.94 174.45 2cen s LYS 55 N -2.37 4.10 0.23 0.37 2.20 -1.26 -1.88 119.74 121.12 2cen s LYS 55 Ca -0.01 0.16 0.02 0.00 -0.36 0.00 0.00 55.97 55.77 2cen s LYS 55 Cb -0.05 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 2cen s LYS 55 CO -0.01 0.39 0.05 0.14 -0.36 0.00 0.00 175.35 175.56 2cen s VAL 56 N -0.01 0.68 -0.16 4.02 -7.23 -0.00 -4.45 120.40 113.25 2cen s VAL 56 Ca 0.18 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.28 2cen s VAL 56 Cb -0.14 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2cen s VAL 56 CO 0.06 -0.20 0.09 -0.13 -0.31 0.00 0.00 175.10 174.62 2cen s ARG 57 N -3.97 3.81 -0.26 4.82 0.52 0.46 -1.50 118.95 122.84 2cen s ARG 57 Ca 0.32 -0.27 -0.09 0.00 -0.52 0.00 0.00 55.73 55.17 2cen s ARG 57 Cb 0.07 -3.22 -0.04 0.00 0.52 0.00 0.00 34.95 32.28 2cen s ARG 57 CO 0.10 0.44 0.13 -1.14 0.02 0.00 0.00 175.30 174.85 2cen s GLN 58 N -0.08 3.83 -0.14 3.54 0.74 0.13 -0.69 119.66 126.98 2cen s GLN 58 Ca 0.08 -0.39 -0.00 0.00 0.05 0.00 0.00 55.36 55.10 2cen s GLN 58 Cb -0.12 -3.49 -0.01 0.00 1.10 0.00 0.00 33.01 30.49 2cen s GLN 58 CO 0.01 -0.15 -0.13 0.71 -0.55 0.00 0.00 175.29 175.17 2cen s TYR 59 N 1.61 2.81 0.29 1.67 1.51 -0.60 -1.55 117.35 123.10 2cen s TYR 59 Ca 0.07 -0.72 0.06 0.00 -1.01 0.00 0.00 57.07 55.46 2cen s TYR 59 Cb -0.15 -1.87 -0.02 0.00 -0.11 0.00 0.00 41.96 39.81 2cen s TYR 59 CO 0.07 -0.27 0.37 -0.51 -1.11 0.00 0.00 175.55 174.10 2cen s ASP 60 N 0.49 5.97 -1.28 2.29 1.01 -1.26 -0.66 116.67 123.24 2cen s ASP 60 Ca -0.09 -0.13 -0.09 0.00 0.71 0.00 0.00 52.55 52.95 2cen s ASP 60 Cb -0.16 -1.47 -0.00 0.00 1.01 0.00 0.00 42.92 42.30 2cen s ASP 60 CO 0.04 -0.23 0.62 0.00 0.21 0.00 0.00 175.17 175.81 2cen n GLN 61 N -1.46 -2.74 -4.04 8.23 6.02 -1.20 -4.90 117.38 117.29 2cen n GLN 61 Ca -0.05 0.47 -0.35 0.00 -0.01 0.00 0.00 57.00 57.06 2cen n GLN 61 Cb 0.58 -4.49 -0.09 0.00 1.02 0.00 0.00 30.24 27.26 2cen n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2cen s ILE 62 N -3.70 4.82 0.09 5.09 -1.09 0.04 -4.81 121.20 121.63 2cen s ILE 62 Ca 0.20 -0.03 -0.27 0.00 -2.23 0.00 0.00 60.65 58.32 2cen s ILE 62 Cb -0.07 -3.14 -0.06 0.00 -1.58 0.00 0.00 42.46 37.61 2cen s ILE 62 CO 0.86 0.50 0.84 -0.22 -1.23 0.00 0.00 174.94 175.69 2cen s LEU 63 N 0.01 4.49 0.02 2.97 0.20 -1.26 -1.70 118.68 123.41 2cen s LEU 63 Ca 0.06 1.60 -0.07 0.00 0.69 0.00 0.00 54.13 56.41 2cen s LEU 63 Cb -0.12 -3.37 -0.00 0.00 -0.43 0.00 0.00 46.19 42.27 2cen s LEU 63 CO 0.01 0.01 0.13 -0.63 -0.29 0.00 0.00 176.35 175.58 2cen s ILE 64 N -0.18 0.10 -0.11 6.68 1.01 -0.45 -4.49 121.20 123.76 2cen s ILE 64 Ca 0.41 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.25 2cen s ILE 64 Cb -0.22 -0.62 0.01 0.00 0.01 0.00 0.00 42.46 41.64 2cen s ILE 64 CO 0.26 -0.46 -0.16 -0.70 0.00 0.00 0.00 174.94 173.89 2cen s GLU 65 N -1.88 2.25 -0.21 2.79 2.12 -0.59 -0.79 118.70 122.38 2cen s GLU 65 Ca -0.11 -0.58 0.02 0.00 0.36 0.00 0.00 54.97 54.66 2cen s GLU 65 Cb -0.05 -1.89 0.04 0.00 0.26 0.00 0.00 34.13 32.49 2cen s GLU 65 CO -0.01 -0.04 -0.15 0.42 -0.54 0.00 0.00 175.26 174.94 2cen s ILE 66 N 0.92 2.01 -1.53 -3.70 1.01 0.78 -0.94 121.20 119.75 2cen s ILE 66 Ca -0.08 -1.20 -0.13 0.00 0.00 0.00 0.00 60.65 59.24 2cen s ILE 66 Cb -0.15 -1.98 0.09 0.00 0.01 0.00 0.00 42.46 40.43 2cen s ILE 66 CO -0.01 0.26 0.92 0.00 0.00 0.00 0.00 174.94 176.11 2cen n GLY 68 N -1.66 2.52 3.61 0.00 0.00 -1.26 -5.00 105.19 103.40 2cen n GLY 68 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2cen n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2cen s HIS 69 N -2.79 3.25 0.35 1.61 4.02 0.74 -5.06 115.29 117.41 2cen s HIS 69 Ca 0.00 0.55 -0.21 0.00 1.02 0.00 0.00 55.06 56.42 2cen s HIS 69 Cb 0.00 -2.77 -0.10 0.00 -1.02 0.00 0.00 32.58 28.69 2cen s HIS 69 CO 0.00 -0.34 0.88 0.15 1.02 0.00 0.00 174.74 176.45 2cen s LYS 70 N 2.34 4.29 0.23 1.40 1.02 -1.26 -0.16 119.74 127.61 2cen s LYS 70 Ca 0.21 1.06 -0.19 0.00 0.02 0.00 0.00 55.97 57.07 2cen s LYS 70 Cb -0.16 -2.49 0.03 0.00 -0.52 0.00 0.00 37.83 34.69 2cen s LYS 70 CO 0.10 0.15 0.61 0.00 -0.92 0.00 0.00 175.35 175.29 2cen s ALA 71 N -1.90 -1.05 0.00 5.17 0.00 0.03 -4.83 121.76 119.19 2cen s ALA 71 Ca 0.55 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.27 2cen s ALA 71 Cb -0.13 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 2cen s ALA 71 CO 0.18 -0.91 -0.05 0.42 0.00 0.00 0.00 175.76 175.40 2cen s ILE 72 N -3.90 0.38 -1.32 0.00 1.01 -1.26 -1.34 121.20 114.77 2cen s ILE 72 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.41 2cen s ILE 72 Cb -0.03 -0.35 0.00 0.00 0.01 0.00 0.00 42.46 42.09 2cen s ILE 72 CO 0.02 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.58 2cen n GLY 73 N 2.71 -1.44 3.73 6.18 0.00 -0.69 -4.90 105.19 110.79 2cen n GLY 73 Ca -0.14 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 2cen n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cen s THR 74 N -2.47 4.28 -0.07 2.61 2.01 -1.26 -0.78 115.64 119.95 2cen s THR 74 Ca 0.00 1.95 0.02 0.00 0.31 0.00 0.00 61.69 63.97 2cen s THR 74 Cb 0.00 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.28 2cen s THR 74 CO 0.00 0.33 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.43 2cen s VAL 75 N -0.20 1.24 -0.05 3.82 1.01 0.17 -4.50 120.40 121.89 2cen s VAL 75 Ca 0.47 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 2cen s VAL 75 Cb -0.25 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2cen s VAL 75 CO 0.31 0.38 0.17 -0.76 0.00 0.00 0.00 175.10 175.21 2cen s LEU 76 N 0.68 4.38 -0.09 3.92 1.43 0.21 -1.56 118.68 127.66 2cen s LEU 76 Ca -0.14 0.42 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 2cen s LEU 76 Cb -0.16 -2.40 0.01 0.00 0.03 0.00 0.00 46.19 43.67 2cen s LEU 76 CO 0.04 0.32 -0.16 -0.69 0.23 0.00 0.00 176.35 176.09 2cen s VAL 77 N -1.20 1.46 0.00 -1.59 1.01 0.13 -0.27 120.40 119.94 2cen s VAL 77 Ca 0.22 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2cen s VAL 77 Cb -0.12 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.94 2cen s VAL 77 CO 0.13 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2cen n GLY 78 N 3.94 0.62 2.33 4.51 0.00 -0.67 -0.41 105.19 115.53 2cen n GLY 78 Ca -0.20 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 2cen n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cen n PRO 79 N 0.00 2.02 -3.25 1.61 -0.04 -1.26 -3.33 135.00 130.75 2cen n PRO 79 Ca 0.00 -1.21 -0.38 0.00 -0.04 0.00 0.00 63.50 61.87 2cen n PRO 79 Cb 0.00 -2.21 -0.06 0.00 -0.04 0.00 0.00 33.50 31.19 2cen n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2cen s THR 80 N 2.31 4.71 0.37 0.52 -1.32 -1.26 -4.97 115.64 116.01 2cen s THR 80 Ca 0.48 1.22 0.33 0.00 -1.21 0.00 0.00 61.69 62.51 2cen s THR 80 Cb 0.18 -3.90 0.36 0.00 -1.51 0.00 0.00 72.50 67.62 2cen s THR 80 CO -0.02 0.50 2.11 1.55 -2.21 0.00 0.00 174.62 176.54 2cen h PRO 81 N 4.34 0.00 -3.38 7.08 0.13 -1.98 -3.43 132.00 134.76 2cen h PRO 81 Ca -0.49 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 2cen h PRO 81 Cb 1.21 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 2cen h PRO 81 CO 0.64 0.06 -0.29 0.54 -0.23 0.00 0.00 178.00 178.72 2cen s VAL 82 N -4.01 0.09 0.04 1.56 0.11 -1.26 -5.08 120.40 111.86 2cen s VAL 82 Ca -0.02 -0.74 -0.30 0.00 -2.93 0.00 0.00 61.98 57.98 2cen s VAL 82 Cb 0.12 -0.93 -0.06 0.00 -1.53 0.00 0.00 36.38 33.98 2cen s VAL 82 CO 0.53 -0.41 1.25 0.20 -3.33 0.00 0.00 175.10 173.35 2cen s ASN 83 N -2.08 7.01 -0.11 3.54 0.01 -1.26 -4.71 114.94 117.34 2cen s ASN 83 Ca -0.05 2.04 0.03 0.00 -0.71 0.00 0.00 52.86 54.17 2cen s ASN 83 Cb -0.01 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.09 2cen s ASN 83 CO -0.04 -0.55 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.18 2cen s ILE 84 N 1.43 1.82 -0.40 0.60 1.01 -0.03 -0.82 121.20 124.82 2cen s ILE 84 Ca 0.60 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 60.24 2cen s ILE 84 Cb -0.30 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.57 2cen s ILE 84 CO 0.28 0.51 0.33 -0.63 0.00 0.00 0.00 174.94 175.42 2cen s ILE 85 N 0.73 5.22 0.79 2.92 -1.09 0.45 -1.44 121.20 128.78 2cen s ILE 85 Ca -0.11 -0.48 -0.03 0.00 -2.23 0.00 0.00 60.65 57.81 2cen s ILE 85 Cb -0.16 -3.92 0.16 0.00 -1.58 0.00 0.00 42.46 36.96 2cen s ILE 85 CO 0.01 -0.28 1.08 -0.83 -1.23 0.00 0.00 174.94 173.69 2cen s GLY 86 N 1.72 1.76 0.50 6.18 0.00 -1.16 -1.31 107.32 115.01 2cen s GLY 86 Ca 0.07 -1.80 0.18 0.00 0.00 0.00 0.00 44.72 43.18 2cen s GLY 86 CO 0.11 -1.14 2.06 3.21 0.00 0.00 0.00 173.10 177.35 2cen h ARG 87 N -0.79 0.10 -0.08 2.90 3.08 -1.15 -1.20 114.38 117.24 2cen h ARG 87 Ca -0.36 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.71 2cen h ARG 87 Cb 1.25 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 2cen h ARG 87 CO 0.36 0.07 0.08 -2.95 -1.07 0.00 0.00 179.97 176.45 2cen h ASN 88 N 0.10 0.00 0.00 7.04 -1.07 -1.81 -2.08 115.58 117.76 2cen h ASN 88 Ca 0.14 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.31 2cen h ASN 88 Cb 0.44 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.65 2cen h ASN 88 CO -0.02 0.00 -1.86 0.18 0.07 0.00 0.00 177.43 175.80 2cen n LEU 89 N -4.04 0.00 -0.03 6.14 4.77 -0.79 -4.44 117.00 118.61 2cen n LEU 89 Ca -0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.99 2cen n LEU 89 Cb 0.18 0.27 0.36 0.00 -2.33 0.00 0.00 43.42 41.90 2cen n LEU 89 CO 0.30 0.27 1.09 -0.07 -1.33 0.00 0.00 177.39 177.65 2cen h LEU 90 N 0.00 0.53 -0.81 2.23 3.38 -0.94 -2.09 115.31 117.60 2cen h LEU 90 Ca -0.30 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 2cen h LEU 90 Cb 1.61 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.20 2cen h LEU 90 CO 0.02 0.45 0.17 0.71 0.09 0.00 0.00 178.44 179.88 2cen h THR 91 N 0.60 1.26 0.00 0.22 1.35 -1.61 -1.36 112.91 113.36 2cen h THR 91 Ca 0.15 -0.93 -0.05 0.00 -0.55 0.00 0.00 66.41 65.03 2cen h THR 91 Cb 0.07 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.03 2cen h THR 91 CO -0.02 0.36 -0.23 1.56 -0.25 0.00 0.00 175.52 176.93 2cen h GLN 92 N 1.01 0.00 -0.32 4.72 1.08 -1.59 -1.37 115.11 118.64 2cen h GLN 92 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2cen h GLN 92 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2cen h GLN 92 CO -0.00 0.23 0.00 0.44 -0.95 0.00 0.00 178.83 178.55 2cen n ILE 93 N -4.21 0.42 -2.48 2.54 -5.35 -1.14 -4.92 119.36 104.21 2cen n ILE 93 Ca -0.02 -0.53 -0.10 0.00 -0.27 0.00 0.00 62.75 61.82 2cen n ILE 93 Cb 0.29 0.48 0.01 0.00 -1.74 0.00 0.00 39.64 38.68 2cen n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2cen n GLY 94 N 1.25 0.06 3.72 3.28 0.00 -0.51 -5.00 105.19 107.98 2cen n GLY 94 Ca 0.17 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2cen n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cen s THR 96 N 0.48 0.75 -0.13 0.00 -4.23 -1.26 -4.69 115.64 106.55 2cen s THR 96 Ca 0.50 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.97 2cen s THR 96 Cb -0.23 -1.67 -0.05 0.00 1.34 0.00 0.00 72.50 71.89 2cen s THR 96 CO 0.29 -0.84 0.25 -0.76 -0.54 0.00 0.00 174.62 173.02 2cen s LEU 97 N -3.01 4.31 -0.02 4.79 1.43 -1.26 -5.09 118.68 119.83 2cen s LEU 97 Ca 0.12 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.75 2cen s LEU 97 Cb 0.05 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.99 2cen s LEU 97 CO -0.04 0.22 -0.03 0.20 0.23 0.00 0.00 176.35 176.94 2cen s ASN 98 N -0.14 0.48 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.14 2cen s ASN 98 Ca 0.16 -0.06 0.00 0.00 -1.57 0.00 0.00 52.86 51.39 2cen s ASN 98 Cb -0.13 -0.14 0.00 0.00 -0.02 0.00 0.00 41.25 40.96 2cen s ASN 98 CO 0.04 -0.01 0.00 2.22 -2.57 0.00 0.00 177.10 176.78