#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bdr s GLN 2 N 0.00 3.70 -0.22 0.54 0.74 -1.26 -5.05 119.66 118.10 1bdr s GLN 2 Ca 0.00 -0.15 -0.10 0.00 0.05 0.00 0.00 55.36 55.16 1bdr s GLN 2 Cb 0.00 -3.77 -0.05 0.00 1.10 0.00 0.00 33.01 30.29 1bdr s GLN 2 CO 0.00 -0.54 0.14 0.42 -0.55 0.00 0.00 175.29 174.76 1bdr s ILE 3 N 2.26 5.30 0.22 -2.34 1.09 -1.26 -5.09 121.20 121.38 1bdr s ILE 3 Ca 0.17 0.16 -0.10 0.00 -1.10 0.00 0.00 60.65 59.77 1bdr s ILE 3 Cb -0.16 -3.45 -0.07 0.00 -1.06 0.00 0.00 42.46 37.72 1bdr s ILE 3 CO 0.12 0.38 0.55 0.42 -0.10 0.00 0.00 174.94 176.32 1bdr s THR 4 N 0.80 4.92 -0.40 2.92 -4.23 -1.26 -5.02 115.64 113.37 1bdr s THR 4 Ca 0.07 0.53 0.08 0.00 -1.18 0.00 0.00 61.69 61.19 1bdr s THR 4 Cb -0.13 -3.63 0.57 0.00 1.34 0.00 0.00 72.50 70.65 1bdr s THR 4 CO 0.02 -0.03 1.52 0.18 -0.54 0.00 0.00 174.62 175.77 1bdr n LEU 5 N -0.00 4.97 0.16 4.79 4.77 -1.26 -4.40 117.00 126.04 1bdr n LEU 5 Ca -0.00 -2.57 0.03 0.00 -0.03 0.00 0.00 56.01 53.44 1bdr n LEU 5 Cb 0.52 -0.68 0.25 0.00 -2.33 0.00 0.00 43.42 41.18 1bdr n LEU 5 CO 0.45 0.66 0.59 -0.50 -1.33 0.00 0.00 177.39 177.26 1bdr h TRP 6 N 2.21 0.00 -2.05 -1.77 4.06 -2.06 -3.43 115.95 112.90 1bdr h TRP 6 Ca 0.16 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.50 1bdr h TRP 6 Cb 1.88 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.91 1bdr h TRP 6 CO 0.95 0.48 -0.70 -0.65 -3.56 0.00 0.00 178.44 174.95 1bdr s GLN 7 N -3.54 1.81 0.13 0.49 -1.52 -1.26 -5.09 119.66 110.68 1bdr s GLN 7 Ca -0.00 -1.83 -0.31 0.00 -1.95 0.00 0.00 55.36 51.26 1bdr s GLN 7 Cb 0.11 -1.77 -0.10 0.00 -0.22 0.00 0.00 33.01 31.03 1bdr s GLN 7 CO 0.72 0.22 1.68 0.50 -0.25 0.00 0.00 175.29 178.16 1bdr s ARG 8 N -3.58 4.18 -1.08 2.91 3.52 -1.26 -4.88 118.95 118.76 1bdr s ARG 8 Ca 0.32 2.45 -0.16 0.00 -0.13 0.00 0.00 55.73 58.20 1bdr s ARG 8 Cb -0.01 -3.38 -0.07 0.00 -1.56 0.00 0.00 34.95 29.92 1bdr s ARG 8 CO 0.16 -0.73 2.12 -0.35 -0.81 0.00 0.00 175.30 175.70 1bdr n PRO 9 N 4.89 2.17 -2.92 5.12 -0.04 -1.26 -4.93 135.00 138.04 1bdr n PRO 9 Ca 0.16 -2.07 -0.36 0.00 -0.04 0.00 0.00 63.50 61.19 1bdr n PRO 9 Cb 0.38 -2.97 -0.06 0.00 -0.04 0.00 0.00 33.50 30.81 1bdr n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bdr s LEU 10 N 1.30 4.27 0.08 1.53 2.01 -1.26 -1.84 118.68 124.77 1bdr s LEU 10 Ca 0.53 1.64 -0.02 0.00 0.01 0.00 0.00 54.13 56.29 1bdr s LEU 10 Cb 0.14 -3.95 -0.04 0.00 0.01 0.00 0.00 46.19 42.36 1bdr s LEU 10 CO 0.02 -0.08 0.02 0.54 1.01 0.00 0.00 176.35 177.86 1bdr s VAL 11 N -1.69 0.17 -0.10 -1.59 0.11 0.82 -4.95 120.40 113.17 1bdr s VAL 11 Ca 0.50 -1.81 -0.07 0.00 -2.93 0.00 0.00 61.98 57.67 1bdr s VAL 11 Cb -0.16 -1.72 -0.04 0.00 -1.53 0.00 0.00 36.38 32.93 1bdr s VAL 11 CO 0.21 -0.77 0.17 -0.89 -3.33 0.00 0.00 175.10 170.49 1bdr s THR 12 N -3.97 5.46 0.11 5.04 2.01 -1.26 -0.81 115.64 122.22 1bdr s THR 12 Ca 0.14 0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.43 1bdr s THR 12 Cb 0.08 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1bdr s THR 12 CO -0.05 0.58 -0.18 0.27 -0.69 0.00 0.00 174.62 174.55 1bdr s ILE 13 N -1.07 1.51 -0.18 1.82 -4.36 -0.42 -1.51 121.20 116.99 1bdr s ILE 13 Ca 0.17 -1.56 -0.00 0.00 -0.26 0.00 0.00 60.65 59.00 1bdr s ILE 13 Cb -0.12 -1.47 0.04 0.00 1.25 0.00 0.00 42.46 42.16 1bdr s ILE 13 CO 0.06 -0.20 -0.07 -0.75 0.24 0.00 0.00 174.94 174.23 1bdr s LYS 14 N -2.12 1.62 -0.03 0.37 2.20 -0.20 -2.32 119.74 119.26 1bdr s LYS 14 Ca 0.06 -0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 55.00 1bdr s LYS 14 Cb -0.09 -2.20 0.03 0.00 -1.51 0.00 0.00 37.83 34.07 1bdr s LYS 14 CO 0.04 -0.45 0.06 -1.50 -0.36 0.00 0.00 175.35 173.13 1bdr s ILE 15 N 1.54 -0.08 -2.12 5.43 2.07 -0.62 -1.41 121.20 126.00 1bdr s ILE 15 Ca -0.01 0.28 0.00 0.00 -1.41 0.00 0.00 60.65 59.52 1bdr s ILE 15 Cb -0.16 -0.12 0.00 0.00 0.13 0.00 0.00 42.46 42.31 1bdr s ILE 15 CO -0.08 0.12 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 1bdr n GLY 16 N 4.57 1.44 1.58 1.50 0.00 -1.26 -1.14 105.19 111.87 1bdr n GLY 16 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1bdr n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bdr n GLY 17 N -0.53 1.44 3.86 -0.02 0.00 -1.26 -5.01 105.19 103.67 1bdr n GLY 17 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1bdr n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bdr s GLN 18 N -0.47 3.80 -0.17 1.61 -0.21 -0.29 -5.08 119.66 118.84 1bdr s GLN 18 Ca 0.00 0.25 -0.05 0.00 0.02 0.00 0.00 55.36 55.58 1bdr s GLN 18 Cb 0.00 -3.11 -0.03 0.00 1.00 0.00 0.00 33.01 30.87 1bdr s GLN 18 CO 0.00 0.64 0.01 -1.17 -2.12 0.00 0.00 175.29 172.64 1bdr s LEU 19 N -1.48 3.51 0.22 2.90 2.96 -1.26 -1.60 118.68 123.93 1bdr s LEU 19 Ca 0.28 -0.03 -0.10 0.00 -0.22 0.00 0.00 54.13 54.05 1bdr s LEU 19 Cb -0.15 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1bdr s LEU 19 CO 0.15 0.18 0.38 -0.54 -1.32 0.00 0.00 176.35 175.20 1bdr s LYS 20 N 0.32 1.39 -0.02 1.98 -0.14 -0.98 -5.03 119.74 117.27 1bdr s LYS 20 Ca -0.01 -1.27 0.01 0.00 -1.36 0.00 0.00 55.97 53.35 1bdr s LYS 20 Cb -0.13 0.42 -0.03 0.00 -1.68 0.00 0.00 37.83 36.40 1bdr s LYS 20 CO 0.02 -0.55 -0.02 -1.21 -0.76 0.00 0.00 175.35 172.83 1bdr s GLU 21 N -4.02 2.76 0.05 1.68 2.02 -1.26 -1.30 118.70 118.63 1bdr s GLU 21 Ca 0.23 -0.60 -0.05 0.00 0.02 0.00 0.00 54.97 54.57 1bdr s GLU 21 Cb 0.01 -2.65 -0.01 0.00 0.10 0.00 0.00 34.13 31.58 1bdr s GLU 21 CO 0.07 0.63 0.09 0.00 0.02 0.00 0.00 175.26 176.07 1bdr s ALA 22 N -1.02 -0.01 -0.01 5.21 0.00 0.01 -4.48 121.76 121.46 1bdr s ALA 22 Ca 0.18 -0.64 -0.19 0.00 0.00 0.00 0.00 51.96 51.30 1bdr s ALA 22 Cb -0.11 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 1bdr s ALA 22 CO 0.08 -0.35 0.55 -0.51 0.00 0.00 0.00 175.76 175.53 1bdr s LEU 23 N -2.32 4.42 -0.53 0.00 1.43 0.12 -0.13 118.68 121.67 1bdr s LEU 23 Ca -0.02 1.10 -0.23 0.00 -1.03 0.00 0.00 54.13 53.94 1bdr s LEU 23 Cb 0.01 -2.85 0.04 0.00 0.03 0.00 0.00 46.19 43.42 1bdr s LEU 23 CO -0.06 0.13 0.88 -0.76 0.23 0.00 0.00 176.35 176.77 1bdr s LEU 24 N -0.27 4.23 -0.38 1.79 1.02 -0.77 -0.89 118.68 123.41 1bdr s LEU 24 Ca 0.29 -0.38 -0.01 0.00 0.02 0.00 0.00 54.13 54.06 1bdr s LEU 24 Cb -0.18 -2.81 0.10 0.00 0.02 0.00 0.00 46.19 43.32 1bdr s LEU 24 CO 0.16 -1.14 0.15 -0.62 0.02 0.00 0.00 176.35 174.92 1bdr s ASP 25 N 2.72 5.10 0.47 2.29 -1.08 -0.47 -4.84 116.67 120.87 1bdr s ASP 25 Ca 0.29 -2.01 0.31 0.00 -0.52 0.00 0.00 52.55 50.61 1bdr s ASP 25 Cb -0.13 -1.77 1.30 0.00 -1.46 0.00 0.00 42.92 40.86 1bdr s ASP 25 CO 0.19 -0.48 1.92 0.71 0.52 0.00 0.00 175.17 178.03 1bdr h THR 26 N 6.44 0.00 -0.45 1.71 1.35 -1.94 -2.18 112.91 117.83 1bdr h THR 26 Ca -0.11 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1bdr h THR 26 Cb 1.04 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1bdr h THR 26 CO 0.64 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 1bdr n GLY 27 N -0.03 1.44 3.21 5.82 0.00 -1.26 -4.80 105.19 109.58 1bdr n GLY 27 Ca 0.01 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 1bdr n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bdr s ALA 28 N -1.51 2.37 0.09 4.61 0.00 -0.82 -4.97 121.76 121.52 1bdr s ALA 28 Ca 0.32 -1.09 -0.10 0.00 0.00 0.00 0.00 51.96 51.10 1bdr s ALA 28 Cb 0.18 -1.12 -0.21 0.00 0.00 0.00 0.00 23.12 21.97 1bdr s ALA 28 CO 0.19 -0.06 1.19 -0.44 0.00 0.00 0.00 175.76 176.64 1bdr h ASP 29 N 7.38 0.72 -3.07 0.00 3.32 -1.87 0.15 116.42 123.05 1bdr h ASP 29 Ca -0.34 -0.63 -0.63 0.00 0.02 0.00 0.00 57.03 55.45 1bdr h ASP 29 Cb 1.19 -0.23 -0.14 0.00 0.22 0.00 0.00 39.33 40.37 1bdr h ASP 29 CO 0.57 1.44 -0.71 -1.81 -1.72 0.00 0.00 179.24 177.01 1bdr s ASP 30 N -7.26 4.39 -0.15 6.45 1.01 -1.26 -2.11 116.67 117.74 1bdr s ASP 30 Ca -0.08 -0.51 -0.10 0.00 0.71 0.00 0.00 52.55 52.57 1bdr s ASP 30 Cb 0.07 -0.80 -0.05 0.00 1.01 0.00 0.00 42.92 43.15 1bdr s ASP 30 CO 0.90 0.11 0.19 -0.44 0.21 0.00 0.00 175.17 176.15 1bdr s SER 31 N -2.75 6.37 -0.05 0.27 0.01 -1.26 -4.00 113.70 112.29 1bdr s SER 31 Ca 0.25 0.43 -0.00 0.00 1.31 0.00 0.00 55.95 57.94 1bdr s SER 31 Cb -0.09 -2.12 0.03 0.00 0.21 0.00 0.00 66.02 64.05 1bdr s SER 31 CO 0.16 0.25 -0.00 0.54 0.41 0.00 0.00 173.24 174.59 1bdr s VAL 32 N -0.18 0.31 0.07 3.43 0.11 -0.40 -1.68 120.40 122.06 1bdr s VAL 32 Ca 0.14 0.09 0.09 0.00 -2.93 0.00 0.00 61.98 59.36 1bdr s VAL 32 Cb -0.12 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 1bdr s VAL 32 CO 0.03 0.21 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.10 1bdr s VAL 33 N 1.50 2.55 0.21 2.04 1.01 -0.23 -0.62 120.40 126.85 1bdr s VAL 33 Ca -0.03 -1.41 0.11 0.00 0.00 0.00 0.00 61.98 60.65 1bdr s VAL 33 Cb -0.13 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1bdr s VAL 33 CO -0.03 0.25 -0.18 0.00 0.00 0.00 0.00 175.10 175.14 1bdr s ALA 34 N -0.97 2.71 -1.63 5.51 0.00 -1.26 -2.74 121.76 123.39 1bdr s ALA 34 Ca 0.15 -1.64 -0.03 0.00 0.00 0.00 0.00 51.96 50.44 1bdr s ALA 34 Cb -0.10 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1bdr s ALA 34 CO 0.06 0.41 0.38 0.41 0.00 0.00 0.00 175.76 177.01 1bdr n GLY 35 N 0.00 -0.50 3.33 0.00 0.00 -1.26 -5.00 105.19 101.77 1bdr n GLY 35 Ca -0.11 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1bdr n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bdr s ILE 36 N -3.12 2.06 -0.38 -0.61 -4.36 -1.26 -5.09 121.20 108.44 1bdr s ILE 36 Ca 0.19 -1.36 -0.22 0.00 -0.26 0.00 0.00 60.65 58.99 1bdr s ILE 36 Cb -0.08 -1.77 0.01 0.00 1.25 0.00 0.00 42.46 41.87 1bdr s ILE 36 CO 0.23 0.34 0.72 -0.70 0.24 0.00 0.00 174.94 175.77 1bdr s GLU 37 N -1.24 3.62 -0.09 0.37 2.12 -1.26 -5.02 118.70 117.21 1bdr s GLU 37 Ca 0.11 0.08 0.05 0.00 0.36 0.00 0.00 54.97 55.57 1bdr s GLU 37 Cb -0.10 -3.85 -0.00 0.00 0.26 0.00 0.00 34.13 30.44 1bdr s GLU 37 CO 0.02 -0.88 -0.24 -1.17 -0.54 0.00 0.00 175.26 172.45 1bdr s LEU 38 N 2.98 2.09 0.45 2.70 2.96 -1.26 -4.86 118.68 123.75 1bdr s LEU 38 Ca 0.28 -0.54 -0.11 0.00 -0.22 0.00 0.00 54.13 53.54 1bdr s LEU 38 Cb -0.13 -1.40 -0.06 0.00 0.50 0.00 0.00 46.19 45.09 1bdr s LEU 38 CO 0.17 0.18 0.83 -2.16 -1.32 0.00 0.00 176.35 174.06 1bdr s PRO 39 N 0.20 3.76 0.00 0.98 0.04 -1.26 -5.00 135.00 133.72 1bdr s PRO 39 Ca -0.15 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1bdr s PRO 39 Cb -0.17 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1bdr s PRO 39 CO 0.08 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.38 1bdr n GLY 40 N -1.61 -1.26 3.96 0.56 0.00 -1.26 -5.04 105.19 100.54 1bdr n GLY 40 Ca 0.03 -2.09 -0.22 0.00 0.00 0.00 0.00 46.02 43.74 1bdr n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bdr s ARG 41 N 0.00 2.74 0.06 1.61 1.04 -1.26 -5.12 118.95 118.02 1bdr s ARG 41 Ca 0.00 -0.59 -0.20 0.00 -1.04 0.00 0.00 55.73 53.90 1bdr s ARG 41 Cb 0.00 -2.48 0.05 0.00 -2.04 0.00 0.00 34.95 30.48 1bdr s ARG 41 CO 0.00 -0.58 0.48 1.67 -0.04 0.00 0.00 175.30 176.82 1bdr s TRP 42 N -2.73 -0.35 0.07 5.89 1.48 -1.26 -4.60 118.94 117.43 1bdr s TRP 42 Ca 0.54 0.30 0.07 0.00 -1.06 0.00 0.00 56.10 55.95 1bdr s TRP 42 Cb -0.10 0.31 -0.04 0.00 -1.16 0.00 0.00 33.47 32.48 1bdr s TRP 42 CO 0.39 -0.64 -0.15 0.21 -4.06 0.00 0.00 176.95 172.69 1bdr s LYS 43 N -2.74 2.06 0.58 3.25 2.20 -1.08 -4.93 119.74 119.08 1bdr s LYS 43 Ca -0.04 -1.01 -0.18 0.00 -0.36 0.00 0.00 55.97 54.38 1bdr s LYS 43 Cb -0.00 -2.23 -0.04 0.00 -1.51 0.00 0.00 37.83 34.05 1bdr s LYS 43 CO -0.04 0.52 1.16 -2.14 -0.36 0.00 0.00 175.35 174.49 1bdr s PRO 44 N -1.77 3.10 -0.03 4.03 0.02 -1.26 -1.33 135.00 137.76 1bdr s PRO 44 Ca 0.17 1.66 -0.30 0.00 0.02 0.00 0.00 61.00 62.55 1bdr s PRO 44 Cb -0.11 -1.97 0.07 0.00 0.02 0.00 0.00 34.50 32.52 1bdr s PRO 44 CO 0.08 -1.06 0.69 0.21 -0.33 0.00 0.00 177.00 176.59 1bdr s LYS 45 N -3.44 1.06 -0.08 5.54 2.20 -1.19 -4.80 119.74 119.04 1bdr s LYS 45 Ca 0.74 0.15 -0.01 0.00 -0.36 0.00 0.00 55.97 56.49 1bdr s LYS 45 Cb -0.26 0.50 0.03 0.00 -1.51 0.00 0.00 37.83 36.59 1bdr s LYS 45 CO 0.32 -0.35 -0.02 -1.64 -0.36 0.00 0.00 175.35 173.30 1bdr s MET 46 N -1.54 0.79 0.03 4.03 -1.94 -1.26 -2.20 119.30 117.20 1bdr s MET 46 Ca -0.09 0.02 0.06 0.00 -1.71 0.00 0.00 55.69 53.97 1bdr s MET 46 Cb -0.00 -1.06 -0.03 0.00 2.01 0.00 0.00 34.83 35.75 1bdr s MET 46 CO 0.06 -0.27 -0.14 0.96 -0.01 0.00 0.00 175.02 175.62 1bdr s ILE 47 N 1.81 3.11 -0.06 2.53 -4.36 -0.87 -4.95 121.20 118.41 1bdr s ILE 47 Ca 0.03 -1.03 0.02 0.00 -0.26 0.00 0.00 60.65 59.41 1bdr s ILE 47 Cb -0.13 -2.33 -0.03 0.00 1.25 0.00 0.00 42.46 41.23 1bdr s ILE 47 CO -0.05 0.36 -0.09 -0.83 0.24 0.00 0.00 174.94 174.56 1bdr s GLY 48 N -1.44 1.65 0.00 6.27 0.00 -1.26 -1.95 107.32 110.59 1bdr s GLY 48 Ca 0.16 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1bdr s GLY 48 CO 0.06 -0.71 0.00 0.61 0.00 0.00 0.00 173.10 173.06 1bdr n GLY 49 N 2.19 5.75 3.73 0.20 0.00 -0.24 -4.99 105.19 111.83 1bdr n GLY 49 Ca -0.18 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 1bdr n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bdr s ILE 50 N -0.47 4.72 0.00 -0.61 -5.25 -1.26 -2.84 121.20 115.49 1bdr s ILE 50 Ca 0.00 1.89 0.00 0.00 -0.99 0.00 0.00 60.65 61.55 1bdr s ILE 50 Cb 0.00 -4.24 0.00 0.00 2.95 0.00 0.00 42.46 41.17 1bdr s ILE 50 CO 0.00 0.28 0.00 0.61 -1.79 0.00 0.00 174.94 174.04 1bdr n GLY 51 N 2.56 0.98 0.00 6.27 0.00 -1.26 -4.97 105.19 108.77 1bdr n GLY 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1bdr n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bdr n GLY 52 N -2.00 0.30 3.83 -0.02 0.00 -1.13 -5.07 105.19 101.10 1bdr n GLY 52 Ca 0.00 -2.29 -0.28 0.00 0.00 0.00 0.00 46.02 43.45 1bdr n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bdr s PHE 53 N 0.00 3.26 0.03 1.61 0.40 -1.26 -1.08 117.98 120.94 1bdr s PHE 53 Ca 0.00 0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.41 1bdr s PHE 53 Cb 0.00 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 41.90 1bdr s PHE 53 CO 0.00 0.53 -0.05 0.96 0.70 0.00 0.00 175.22 177.36 1bdr s ILE 54 N -1.59 0.31 -0.21 0.64 -4.36 -0.82 -5.00 121.20 110.16 1bdr s ILE 54 Ca 0.31 -1.02 -0.09 0.00 -0.26 0.00 0.00 60.65 59.60 1bdr s ILE 54 Cb -0.11 -0.46 -0.04 0.00 1.25 0.00 0.00 42.46 43.10 1bdr s ILE 54 CO 0.24 -0.46 0.10 -0.75 0.24 0.00 0.00 174.94 174.31 1bdr s LYS 55 N -1.59 3.98 0.40 0.37 2.20 -1.26 -2.05 119.74 121.80 1bdr s LYS 55 Ca -0.13 -0.33 0.04 0.00 -0.36 0.00 0.00 55.97 55.20 1bdr s LYS 55 Cb -0.09 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.85 1bdr s LYS 55 CO -0.01 0.15 0.16 0.14 -0.36 0.00 0.00 175.35 175.43 1bdr s VAL 56 N 0.76 0.47 -0.16 4.02 -7.23 -0.93 -4.47 120.40 112.85 1bdr s VAL 56 Ca 0.05 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 1bdr s VAL 56 Cb -0.13 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 1bdr s VAL 56 CO 0.02 0.00 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.56 1bdr s ARG 57 N -3.65 3.33 -0.42 4.82 0.52 -0.14 -3.14 118.95 120.27 1bdr s ARG 57 Ca 0.25 -0.69 -0.23 0.00 -0.52 0.00 0.00 55.73 54.54 1bdr s ARG 57 Cb 0.02 -2.71 0.02 0.00 0.52 0.00 0.00 34.95 32.80 1bdr s ARG 57 CO 0.17 0.07 0.79 -1.14 0.02 0.00 0.00 175.30 175.20 1bdr s GLN 58 N 0.73 3.55 -0.15 3.54 0.74 -0.44 -1.80 119.66 125.82 1bdr s GLN 58 Ca -0.05 0.07 -0.04 0.00 0.05 0.00 0.00 55.36 55.38 1bdr s GLN 58 Cb -0.15 -3.89 -0.03 0.00 1.10 0.00 0.00 33.01 30.04 1bdr s GLN 58 CO 0.02 -1.02 -0.01 0.71 -0.55 0.00 0.00 175.29 174.44 1bdr s TYR 59 N 3.25 3.10 0.31 1.67 1.51 -0.42 -2.63 117.35 124.13 1bdr s TYR 59 Ca 0.31 -0.14 0.07 0.00 -1.01 0.00 0.00 57.07 56.30 1bdr s TYR 59 Cb -0.12 -1.96 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 1bdr s TYR 59 CO 0.21 0.08 0.24 -0.51 -1.11 0.00 0.00 175.55 174.45 1bdr s ASP 60 N 0.20 5.28 -1.23 2.29 1.11 -1.26 -1.65 116.67 121.40 1bdr s ASP 60 Ca -0.00 -0.45 -0.29 0.00 0.18 0.00 0.00 52.55 51.99 1bdr s ASP 60 Cb -0.13 -1.08 0.03 0.00 1.07 0.00 0.00 42.92 42.81 1bdr s ASP 60 CO 0.02 -0.24 0.66 0.00 1.18 0.00 0.00 175.17 176.79 1bdr n GLN 61 N -1.28 -0.61 -4.43 8.23 6.02 -1.18 -4.96 117.38 119.17 1bdr n GLN 61 Ca -0.04 0.17 -0.34 0.00 -0.01 0.00 0.00 57.00 56.78 1bdr n GLN 61 Cb 0.59 -3.02 -0.11 0.00 1.02 0.00 0.00 30.24 28.72 1bdr n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1bdr s ILE 62 N -3.58 4.01 0.13 5.09 -1.09 -0.97 -4.90 121.20 119.88 1bdr s ILE 62 Ca 0.45 -0.34 -0.25 0.00 -2.23 0.00 0.00 60.65 58.28 1bdr s ILE 62 Cb -0.22 -2.71 -0.07 0.00 -1.58 0.00 0.00 42.46 37.87 1bdr s ILE 62 CO 0.95 0.55 0.75 -0.22 -1.23 0.00 0.00 174.94 175.74 1bdr s LEU 63 N -0.29 4.55 0.00 2.97 2.96 -1.26 -2.02 118.68 125.60 1bdr s LEU 63 Ca 0.05 1.56 0.01 0.00 -0.22 0.00 0.00 54.13 55.53 1bdr s LEU 63 Cb -0.12 -3.24 -0.01 0.00 0.50 0.00 0.00 46.19 43.32 1bdr s LEU 63 CO 0.02 0.17 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.55 1bdr s ILE 64 N -0.87 0.30 -0.25 6.68 -1.09 -0.00 -4.44 121.20 121.53 1bdr s ILE 64 Ca 0.36 -0.26 0.02 0.00 -2.23 0.00 0.00 60.65 58.54 1bdr s ILE 64 Cb -0.22 -0.28 0.06 0.00 -1.58 0.00 0.00 42.46 40.44 1bdr s ILE 64 CO 0.25 0.02 -0.10 -1.61 -1.23 0.00 0.00 174.94 172.27 1bdr s GLU 65 N -0.26 2.09 -0.33 2.79 2.02 -0.50 -1.67 118.70 122.83 1bdr s GLU 65 Ca -0.00 -1.20 -0.08 0.00 0.02 0.00 0.00 54.97 53.71 1bdr s GLU 65 Cb -0.02 -2.76 0.02 0.00 0.10 0.00 0.00 34.13 31.47 1bdr s GLU 65 CO -0.00 -0.55 0.13 0.42 0.02 0.00 0.00 175.26 175.27 1bdr s ILE 66 N 1.21 4.12 -1.30 -1.63 1.01 -0.09 -1.04 121.20 123.48 1bdr s ILE 66 Ca -0.07 -0.88 -0.17 0.00 0.00 0.00 0.00 60.65 59.53 1bdr s ILE 66 Cb -0.19 -3.25 0.01 0.00 0.01 0.00 0.00 42.46 39.05 1bdr s ILE 66 CO -0.06 -0.10 0.53 0.00 0.00 0.00 0.00 174.94 175.30 1bdr n GLY 68 N -2.05 0.08 3.23 0.00 0.00 -1.26 -5.00 105.19 100.19 1bdr n GLY 68 Ca -0.19 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 1bdr n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bdr s HIS 69 N -2.91 2.24 0.02 1.61 4.02 -0.09 -5.13 115.29 115.05 1bdr s HIS 69 Ca 0.00 -0.69 -0.23 0.00 1.02 0.00 0.00 55.06 55.17 1bdr s HIS 69 Cb 0.00 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.58 30.02 1bdr s HIS 69 CO 0.00 -0.22 0.68 0.15 1.02 0.00 0.00 174.74 176.36 1bdr s LYS 70 N -0.06 4.40 0.06 1.40 -0.14 -1.26 -0.92 119.74 123.22 1bdr s LYS 70 Ca -0.05 0.89 -0.16 0.00 -1.36 0.00 0.00 55.97 55.29 1bdr s LYS 70 Cb -0.14 -3.35 0.03 0.00 -1.68 0.00 0.00 37.83 32.69 1bdr s LYS 70 CO 0.04 0.33 0.36 0.00 -0.76 0.00 0.00 175.35 175.32 1bdr s ALA 71 N -0.13 -0.85 -0.03 5.17 0.00 -0.67 -4.85 121.76 120.41 1bdr s ALA 71 Ca 0.35 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.40 1bdr s ALA 71 Cb -0.19 0.40 0.03 0.00 0.00 0.00 0.00 23.12 23.36 1bdr s ALA 71 CO 0.20 -0.48 0.04 0.42 0.00 0.00 0.00 175.76 175.95 1bdr s ILE 72 N -2.80 -0.08 0.00 0.00 1.01 -1.26 -0.82 121.20 117.25 1bdr s ILE 72 Ca -0.03 0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.94 1bdr s ILE 72 Cb -0.00 -0.13 0.00 0.00 0.01 0.00 0.00 42.46 42.34 1bdr s ILE 72 CO -0.05 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.64 1bdr n GLY 73 N 4.78 1.85 3.76 6.18 0.00 -0.85 -4.92 105.19 115.99 1bdr n GLY 73 Ca -0.15 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 1bdr n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bdr s THR 74 N -2.61 5.16 -0.09 2.61 2.01 -1.26 -2.30 115.64 119.16 1bdr s THR 74 Ca 0.00 0.84 0.02 0.00 0.31 0.00 0.00 61.69 62.85 1bdr s THR 74 Cb 0.00 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.78 1bdr s THR 74 CO 0.00 0.42 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.53 1bdr s VAL 75 N 0.04 1.26 -0.12 3.82 1.01 -0.66 -4.46 120.40 121.29 1bdr s VAL 75 Ca 0.23 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 1bdr s VAL 75 Cb -0.15 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1bdr s VAL 75 CO 0.10 0.39 0.19 -0.76 0.00 0.00 0.00 175.10 175.03 1bdr s LEU 76 N 0.91 4.35 -0.04 3.92 1.43 -0.68 -1.30 118.68 127.27 1bdr s LEU 76 Ca -0.09 0.50 0.06 0.00 -1.03 0.00 0.00 54.13 53.57 1bdr s LEU 76 Cb -0.15 -2.18 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 1bdr s LEU 76 CO 0.00 0.32 -0.23 -0.69 0.23 0.00 0.00 176.35 175.98 1bdr s VAL 77 N -0.58 1.90 -4.42 -1.59 1.01 -0.75 -1.07 120.40 114.90 1bdr s VAL 77 Ca 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1bdr s VAL 77 Cb -0.13 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1bdr s VAL 77 CO 0.04 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1bdr n GLY 78 N 2.83 -1.22 1.19 4.51 0.00 -1.11 -0.97 105.19 110.42 1bdr n GLY 78 Ca -0.17 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1bdr n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bdr n PRO 79 N 0.00 0.00 -2.56 1.61 -0.02 -1.26 -4.31 135.00 128.46 1bdr n PRO 79 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 1bdr n PRO 79 Cb 0.00 -1.31 -0.04 0.00 -0.02 0.00 0.00 33.50 32.13 1bdr n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1bdr s THR 80 N 0.89 3.77 0.11 3.45 -1.32 -1.26 -4.98 115.64 116.30 1bdr s THR 80 Ca 0.00 1.28 -0.16 0.00 -1.21 0.00 0.00 61.69 61.61 1bdr s THR 80 Cb 0.00 -3.62 -0.04 0.00 -1.51 0.00 0.00 72.50 67.32 1bdr s THR 80 CO 0.00 -0.06 1.54 -0.65 -2.21 0.00 0.00 174.62 173.24 1bdr h PRO 81 N 2.25 0.65 -5.19 7.08 0.11 -1.98 -3.45 132.00 131.47 1bdr h PRO 81 Ca -0.49 -0.22 -0.39 0.00 0.11 0.00 0.00 66.00 65.01 1bdr h PRO 81 Cb 1.21 -0.05 -0.22 0.00 0.11 0.00 0.00 31.00 32.05 1bdr h PRO 81 CO 0.61 0.78 -0.77 0.14 -0.21 0.00 0.00 178.00 178.55 1bdr s VAL 82 N -4.92 1.00 -0.02 3.15 -7.23 -1.26 -5.08 120.40 106.04 1bdr s VAL 82 Ca -0.13 -1.19 -0.30 0.00 -1.81 0.00 0.00 61.98 58.55 1bdr s VAL 82 Cb 0.09 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 1bdr s VAL 82 CO 0.79 -0.20 1.16 0.20 -0.31 0.00 0.00 175.10 176.74 1bdr s ASN 83 N -1.56 7.11 -0.16 4.85 0.01 -1.26 -4.87 114.94 119.07 1bdr s ASN 83 Ca -0.03 1.83 -0.02 0.00 -0.71 0.00 0.00 52.86 53.93 1bdr s ASN 83 Cb -0.09 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 38.98 1bdr s ASN 83 CO 0.02 -0.50 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.40 1bdr s ILE 84 N 1.75 3.46 -0.38 0.60 1.01 0.21 -0.71 121.20 127.14 1bdr s ILE 84 Ca 0.56 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 1bdr s ILE 84 Cb -0.25 -2.50 0.07 0.00 0.01 0.00 0.00 42.46 39.79 1bdr s ILE 84 CO 0.24 0.49 0.16 -0.63 0.00 0.00 0.00 174.94 175.21 1bdr s ILE 85 N 0.55 3.66 0.58 2.92 -1.09 -0.06 -1.27 121.20 126.48 1bdr s ILE 85 Ca -0.05 -1.51 0.02 0.00 -2.23 0.00 0.00 60.65 56.88 1bdr s ILE 85 Cb -0.15 -3.25 0.11 0.00 -1.58 0.00 0.00 42.46 37.60 1bdr s ILE 85 CO 0.03 -0.41 0.79 0.61 -1.23 0.00 0.00 174.94 174.73 1bdr n GLY 86 N 4.76 0.95 0.33 6.18 0.00 -1.26 -1.36 105.19 114.79 1bdr n GLY 86 Ca -0.09 -2.06 0.11 0.00 0.00 0.00 0.00 46.02 43.98 1bdr n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bdr h ARG 87 N 0.00 0.24 0.00 1.61 3.08 -0.77 -1.03 114.38 117.52 1bdr h ARG 87 Ca -0.26 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1bdr h ARG 87 Cb 1.02 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1bdr h ARG 87 CO 0.30 0.16 0.00 -2.95 -1.07 0.00 0.00 179.97 176.41 1bdr h ASN 88 N 0.25 0.00 0.00 7.04 -1.07 -1.68 -1.66 115.58 118.46 1bdr h ASN 88 Ca 0.18 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.36 1bdr h ASN 88 Cb 0.41 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.63 1bdr h ASN 88 CO -0.04 0.00 -1.75 0.18 0.07 0.00 0.00 177.43 175.89 1bdr n LEU 89 N -2.78 2.26 0.19 6.14 4.77 -0.63 -4.57 117.00 122.40 1bdr n LEU 89 Ca -0.02 -0.05 0.14 0.00 -0.03 0.00 0.00 56.01 56.05 1bdr n LEU 89 Cb 0.08 -0.29 0.75 0.00 -2.33 0.00 0.00 43.42 41.63 1bdr n LEU 89 CO 0.17 0.61 1.13 -0.07 -1.33 0.00 0.00 177.39 177.90 1bdr h LEU 90 N 0.00 0.00 -0.19 2.23 3.38 -0.77 -1.89 115.31 118.08 1bdr h LEU 90 Ca -0.29 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.47 1bdr h LEU 90 Cb 1.51 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.26 1bdr h LEU 90 CO -0.03 0.00 -0.70 0.71 0.09 0.00 0.00 178.44 178.51 1bdr h THR 91 N 0.00 1.28 -0.46 0.22 1.35 -1.56 -0.54 112.91 113.20 1bdr h THR 91 Ca 0.08 -1.89 -0.03 0.00 -0.55 0.00 0.00 66.41 64.02 1bdr h THR 91 Cb 0.36 1.90 -0.02 0.00 -1.73 0.00 0.00 68.15 68.66 1bdr h THR 91 CO -0.00 0.60 0.18 1.56 -0.25 0.00 0.00 175.52 177.61 1bdr h GLN 92 N 0.55 0.66 -0.20 4.72 4.20 -1.59 -0.50 115.11 122.95 1bdr h GLN 92 Ca -0.03 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1bdr h GLN 92 Cb 1.32 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1bdr h GLN 92 CO 0.15 0.55 0.00 0.44 -0.67 0.00 0.00 178.83 179.30 1bdr n ILE 93 N -4.36 0.26 -2.78 2.54 -5.35 -1.13 -4.93 119.36 103.61 1bdr n ILE 93 Ca 0.03 -0.34 -0.15 0.00 -0.27 0.00 0.00 62.75 62.03 1bdr n ILE 93 Cb 0.15 0.27 0.03 0.00 -1.74 0.00 0.00 39.64 38.34 1bdr n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bdr n GLY 94 N 1.06 -0.12 3.71 3.28 0.00 -0.20 -5.00 105.19 107.93 1bdr n GLY 94 Ca 0.14 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1bdr n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bdr s THR 96 N 0.83 1.78 -0.15 0.00 -4.23 -1.26 -4.71 115.64 107.90 1bdr s THR 96 Ca 0.52 -2.16 -0.03 0.00 -1.18 0.00 0.00 61.69 58.84 1bdr s THR 96 Cb -0.23 -2.41 -0.02 0.00 1.34 0.00 0.00 72.50 71.18 1bdr s THR 96 CO 0.29 -0.33 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.75 1bdr s LEU 97 N -3.45 3.11 0.02 4.79 2.96 -1.26 -5.10 118.68 119.76 1bdr s LEU 97 Ca 0.29 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.08 1bdr s LEU 97 Cb 0.02 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1bdr s LEU 97 CO 0.12 0.17 -0.16 0.20 -1.32 0.00 0.00 176.35 175.36 1bdr s ASN 98 N 0.35 1.93 0.00 3.68 0.01 -1.26 -5.29 114.94 114.36 1bdr s ASN 98 Ca -0.06 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 51.68 1bdr s ASN 98 Cb -0.15 -0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.35 1bdr s ASN 98 CO 0.04 0.12 0.00 2.22 -1.51 0.00 0.00 177.10 177.97