#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 3.63 -0.21 -0.52 0.74 -1.26 -5.09 119.66 116.95 1bdr s GLN 2 Ca 0.00 -0.50 -0.05 0.00 0.05 0.00 0.00 55.36 54.86 1bdr s GLN 2 Cb 0.00 -3.22 -0.02 0.00 1.10 0.00 0.00 33.01 30.87 1bdr s GLN 2 CO 0.00 -0.12 0.01 0.42 -0.55 0.00 0.00 175.29 175.05 1bdr s ILE 3 N 1.38 3.98 0.35 -2.34 -1.09 -1.26 -5.11 121.20 117.11 1bdr s ILE 3 Ca 0.05 -0.30 -0.08 0.00 -2.23 0.00 0.00 60.65 58.08 1bdr s ILE 3 Cb -0.15 -2.81 -0.06 0.00 -1.58 0.00 0.00 42.46 37.87 1bdr s ILE 3 CO 0.02 0.42 0.67 0.42 -1.23 0.00 0.00 174.94 175.24 1bdr s THR 4 N 1.08 4.88 -0.36 2.92 -4.23 -1.26 -5.00 115.64 113.67 1bdr s THR 4 Ca 0.02 0.41 0.05 0.00 -1.18 0.00 0.00 61.69 60.99 1bdr s THR 4 Cb -0.14 -3.72 0.54 0.00 1.34 0.00 0.00 72.50 70.52 1bdr s THR 4 CO 0.02 -0.40 1.65 0.18 -0.54 0.00 0.00 174.62 175.52 1bdr n LEU 5 N -1.05 5.59 0.19 4.79 4.77 -1.26 -4.35 117.00 125.69 1bdr n LEU 5 Ca 0.01 -2.94 0.07 0.00 -0.03 0.00 0.00 56.01 53.12 1bdr n LEU 5 Cb 0.54 -0.73 0.32 0.00 -2.33 0.00 0.00 43.42 41.22 1bdr n LEU 5 CO 0.47 0.83 0.69 -0.50 -1.33 0.00 0.00 177.39 177.55 1bdr h TRP 6 N 1.34 0.00 -2.73 -1.77 4.06 -2.06 -3.44 115.95 111.35 1bdr h TRP 6 Ca 0.37 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.79 1bdr h TRP 6 Cb 2.25 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 30.26 1bdr h TRP 6 CO 1.14 0.33 -0.76 1.14 -3.56 0.00 0.00 178.44 176.73 1bdr s GLN 7 N -3.49 1.46 0.30 0.49 0.00 -1.26 -5.11 119.66 112.05 1bdr s GLN 7 Ca 0.01 -1.62 -0.30 0.00 -0.00 0.00 0.00 55.36 53.46 1bdr s GLN 7 Cb 0.10 -1.44 -0.11 0.00 0.00 0.00 0.00 33.01 31.56 1bdr s GLN 7 CO 0.68 0.27 1.59 1.03 0.00 0.00 0.00 175.29 178.85 1bdr s ARG 8 N -3.38 4.12 -1.26 9.60 0.52 -1.26 -4.89 118.95 122.40 1bdr s ARG 8 Ca 0.24 2.57 -0.19 0.00 -0.52 0.00 0.00 55.73 57.83 1bdr s ARG 8 Cb -0.04 -3.02 0.01 0.00 0.52 0.00 0.00 34.95 32.42 1bdr s ARG 8 CO 0.10 -0.62 1.86 -0.35 0.02 0.00 0.00 175.30 176.31 1bdr n PRO 9 N 2.08 2.64 -3.41 3.54 -0.04 -1.26 -4.93 135.00 133.61 1bdr n PRO 9 Ca 0.08 -2.90 -0.38 0.00 -0.04 0.00 0.00 63.50 60.26 1bdr n PRO 9 Cb 0.38 -3.50 -0.06 0.00 -0.04 0.00 0.00 33.50 30.28 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 5.54 4.37 0.06 1.53 1.43 -1.26 -1.13 118.68 129.21 1bdr s LEU 10 Ca 0.57 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 54.54 1bdr s LEU 10 Cb 0.05 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 1bdr s LEU 10 CO 0.08 0.15 -0.05 0.54 0.23 0.00 0.00 176.35 177.30 1bdr s VAL 11 N -0.16 0.43 0.17 -1.59 0.11 0.30 -4.95 120.40 114.71 1bdr s VAL 11 Ca 0.24 -1.66 -0.27 0.00 -2.93 0.00 0.00 61.98 57.36 1bdr s VAL 11 Cb -0.16 -1.32 -0.08 0.00 -1.53 0.00 0.00 36.38 33.29 1bdr s VAL 11 CO 0.11 -0.81 0.83 -0.89 -3.33 0.00 0.00 175.10 171.01 1bdr s THR 12 N -3.19 4.32 0.06 5.04 2.01 -1.26 -0.61 115.64 122.00 1bdr s THR 12 Ca 0.04 1.82 0.05 0.00 0.31 0.00 0.00 61.69 63.91 1bdr s THR 12 Cb 0.03 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 1bdr s THR 12 CO -0.06 0.49 -0.14 0.27 -0.69 0.00 0.00 174.62 174.50 1bdr s ILE 13 N -1.00 1.07 -0.25 1.82 -4.36 0.21 -0.66 121.20 118.02 1bdr s ILE 13 Ca 0.38 -1.15 0.01 0.00 -0.26 0.00 0.00 60.65 59.63 1bdr s ILE 13 Cb -0.24 -1.01 0.06 0.00 1.25 0.00 0.00 42.46 42.53 1bdr s ILE 13 CO 0.28 -0.13 -0.05 -0.75 0.24 0.00 0.00 174.94 174.53 1bdr s LYS 14 N -1.45 1.64 -0.15 0.37 2.20 -0.07 -1.50 119.74 120.77 1bdr s LYS 14 Ca -0.01 -1.09 -0.01 0.00 -0.36 0.00 0.00 55.97 54.50 1bdr s LYS 14 Cb -0.09 -2.63 0.04 0.00 -1.51 0.00 0.00 37.83 33.64 1bdr s LYS 14 CO 0.02 -0.63 -0.02 -1.50 -0.36 0.00 0.00 175.35 172.86 1bdr s ILE 15 N 1.34 0.79 -1.45 5.43 2.07 -0.08 -0.43 121.20 128.88 1bdr s ILE 15 Ca -0.04 -0.45 -0.09 0.00 -1.41 0.00 0.00 60.65 58.66 1bdr s ILE 15 Cb -0.19 -1.06 0.05 0.00 0.13 0.00 0.00 42.46 41.40 1bdr s ILE 15 CO -0.07 0.07 0.91 0.61 -1.91 0.00 0.00 174.94 174.55 1bdr n GLY 16 N 4.98 -0.44 2.70 1.50 0.00 -1.24 -1.23 105.19 111.47 1bdr n GLY 16 Ca -0.10 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.68 2.46 3.74 -0.02 0.00 -1.26 -5.00 105.19 103.43 1bdr n GLY 17 Ca -0.07 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 4.75 -0.17 1.61 -0.21 -0.37 -5.05 119.66 120.22 1bdr s GLN 18 Ca 0.00 1.51 -0.10 0.00 0.02 0.00 0.00 55.36 56.79 1bdr s GLN 18 Cb 0.00 -3.32 -0.05 0.00 1.00 0.00 0.00 33.01 30.64 1bdr s GLN 18 CO 0.00 0.31 0.17 -0.51 -2.12 0.00 0.00 175.29 173.14 1bdr s LEU 19 N -0.54 4.26 0.26 2.90 1.43 -1.26 -0.90 118.68 124.83 1bdr s LEU 19 Ca 0.45 0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 53.74 1bdr s LEU 19 Cb -0.25 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.82 1bdr s LEU 19 CO 0.32 0.22 0.55 -0.75 0.23 0.00 0.00 176.35 176.91 1bdr s LYS 20 N 0.06 1.62 -0.04 1.70 2.36 -0.56 -5.02 119.74 119.86 1bdr s LYS 20 Ca 0.11 -1.18 0.02 0.00 -2.55 0.00 0.00 55.97 52.38 1bdr s LYS 20 Cb -0.12 0.51 -0.03 0.00 -1.05 0.00 0.00 37.83 37.14 1bdr s LYS 20 CO 0.01 -0.69 -0.07 -1.21 1.55 0.00 0.00 175.35 174.94 1bdr s GLU 21 N -3.99 2.67 -0.00 4.03 2.02 -1.26 -0.62 118.70 121.54 1bdr s GLU 21 Ca 0.19 -0.62 -0.02 0.00 0.02 0.00 0.00 54.97 54.54 1bdr s GLU 21 Cb -0.02 -2.56 -0.00 0.00 0.10 0.00 0.00 34.13 31.65 1bdr s GLU 21 CO 0.08 0.64 0.03 0.00 0.02 0.00 0.00 175.26 176.03 1bdr s ALA 22 N -0.89 -0.06 0.04 5.21 0.00 0.22 -4.42 121.76 121.85 1bdr s ALA 22 Ca 0.15 -0.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.64 1bdr s ALA 22 Cb -0.11 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1bdr s ALA 22 CO 0.04 -0.10 0.94 -1.17 0.00 0.00 0.00 175.76 175.48 1bdr s LEU 23 N -0.72 4.42 -0.31 0.00 2.96 0.13 -0.54 118.68 124.62 1bdr s LEU 23 Ca -0.08 1.67 -0.29 0.00 -0.22 0.00 0.00 54.13 55.21 1bdr s LEU 23 Cb -0.05 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.13 1bdr s LEU 23 CO -0.00 -0.17 1.05 -0.76 -1.32 0.00 0.00 176.35 175.15 1bdr s LEU 24 N 0.58 3.95 -0.25 -0.68 1.02 -0.29 -1.38 118.68 121.64 1bdr s LEU 24 Ca 0.49 1.04 0.02 0.00 0.02 0.00 0.00 54.13 55.69 1bdr s LEU 24 Cb -0.22 -3.51 0.06 0.00 0.02 0.00 0.00 46.19 42.55 1bdr s LEU 24 CO 0.28 -0.85 -0.07 -0.62 0.02 0.00 0.00 176.35 175.11 1bdr s ASP 25 N 1.63 4.15 0.44 2.29 -1.08 -0.41 -4.84 116.67 118.86 1bdr s ASP 25 Ca 0.44 -1.32 0.24 0.00 -0.52 0.00 0.00 52.55 51.39 1bdr s ASP 25 Cb -0.12 -1.36 0.95 0.00 -1.46 0.00 0.00 42.92 40.93 1bdr s ASP 25 CO 0.15 -0.22 1.84 0.71 0.52 0.00 0.00 175.17 178.16 1bdr h THR 26 N 6.71 0.57 -0.37 1.71 1.35 -1.95 -2.98 112.91 117.95 1bdr h THR 26 Ca -0.18 -1.09 -0.06 0.00 -0.55 0.00 0.00 66.41 64.53 1bdr h THR 26 Cb 1.05 1.74 -0.04 0.00 -1.73 0.00 0.00 68.15 69.18 1bdr h THR 26 CO 0.44 0.22 0.08 0.61 -0.25 0.00 0.00 175.52 176.62 1bdr n GLY 27 N 0.09 2.56 2.93 5.82 0.00 -1.26 -4.78 105.19 110.55 1bdr n GLY 27 Ca -0.00 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.95 1.19 0.10 4.61 0.00 -1.12 -5.02 121.76 119.55 1bdr s ALA 28 Ca 0.31 -0.42 -0.14 0.00 0.00 0.00 0.00 51.96 51.71 1bdr s ALA 28 Cb 0.24 -0.73 -0.10 0.00 0.00 0.00 0.00 23.12 22.52 1bdr s ALA 28 CO 0.08 -0.20 1.38 -0.44 0.00 0.00 0.00 175.76 176.58 1bdr h ASP 29 N 7.69 0.80 -1.64 0.00 3.32 -1.87 0.11 116.42 124.82 1bdr h ASP 29 Ca -0.30 -0.52 -0.50 0.00 0.02 0.00 0.00 57.03 55.73 1bdr h ASP 29 Cb 1.15 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.44 1bdr h ASP 29 CO 0.43 1.17 -0.41 -1.81 -1.72 0.00 0.00 179.24 176.89 1bdr s ASP 30 N -6.70 5.09 -0.07 6.45 1.01 -1.26 -2.69 116.67 118.51 1bdr s ASP 30 Ca -0.12 -0.67 0.03 0.00 0.71 0.00 0.00 52.55 52.50 1bdr s ASP 30 Cb 0.09 -0.71 -0.02 0.00 1.01 0.00 0.00 42.92 43.29 1bdr s ASP 30 CO 0.85 -0.54 -0.16 -0.44 0.21 0.00 0.00 175.17 175.10 1bdr s SER 31 N -4.07 3.88 -0.03 0.27 0.01 -1.26 -3.30 113.70 109.20 1bdr s SER 31 Ca 0.45 -0.27 -0.01 0.00 1.31 0.00 0.00 55.95 57.43 1bdr s SER 31 Cb -0.04 -0.98 0.03 0.00 0.21 0.00 0.00 66.02 65.24 1bdr s SER 31 CO 0.27 0.30 0.04 0.54 0.41 0.00 0.00 173.24 174.79 1bdr s VAL 32 N -0.44 -0.02 0.03 3.43 0.11 -0.78 -1.32 120.40 121.42 1bdr s VAL 32 Ca 0.05 0.28 0.08 0.00 -2.93 0.00 0.00 61.98 59.47 1bdr s VAL 32 Cb -0.12 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.54 1bdr s VAL 32 CO 0.02 0.15 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.00 1bdr s VAL 33 N 1.59 1.94 0.11 2.04 1.01 -0.28 -1.96 120.40 124.87 1bdr s VAL 33 Ca -0.02 -1.27 0.04 0.00 0.00 0.00 0.00 61.98 60.74 1bdr s VAL 33 Cb -0.13 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1bdr s VAL 33 CO -0.03 0.34 0.07 0.00 0.00 0.00 0.00 175.10 175.48 1bdr s ALA 34 N -0.76 3.46 0.00 5.51 0.00 -1.26 -3.25 121.76 125.47 1bdr s ALA 34 Ca 0.10 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1bdr s ALA 34 Cb -0.09 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.71 1bdr s ALA 34 CO 0.01 0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.83 1bdr n GLY 35 N 0.22 2.91 3.87 0.00 0.00 -1.26 -5.02 105.19 105.91 1bdr n GLY 35 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.39 4.84 -0.14 -0.61 -4.36 -1.26 -5.06 121.20 112.22 1bdr s ILE 36 Ca 0.00 0.56 -0.15 0.00 -0.26 0.00 0.00 60.65 60.80 1bdr s ILE 36 Cb 0.00 -3.66 -0.04 0.00 1.25 0.00 0.00 42.46 40.00 1bdr s ILE 36 CO 0.00 -0.26 0.36 -1.61 0.24 0.00 0.00 174.94 173.67 1bdr s GLU 37 N -3.26 4.27 -0.05 0.37 2.02 -1.26 -5.08 118.70 115.72 1bdr s GLU 37 Ca 0.50 0.23 0.02 0.00 0.02 0.00 0.00 54.97 55.74 1bdr s GLU 37 Cb -0.11 -3.42 0.01 0.00 0.10 0.00 0.00 34.13 30.71 1bdr s GLU 37 CO 0.24 0.22 -0.11 -1.17 0.02 0.00 0.00 175.26 174.47 1bdr s LEU 38 N 0.47 1.68 0.33 1.80 2.96 -1.26 -4.98 118.68 119.69 1bdr s LEU 38 Ca 0.20 -0.25 -0.29 0.00 -0.22 0.00 0.00 54.13 53.58 1bdr s LEU 38 Cb -0.14 -0.70 -0.11 0.00 0.50 0.00 0.00 46.19 45.73 1bdr s LEU 38 CO 0.06 0.05 1.52 -2.65 -1.32 0.00 0.00 176.35 174.01 1bdr n PRO 39 N 3.58 2.63 0.00 0.98 -0.02 -1.26 -4.91 135.00 136.00 1bdr n PRO 39 Ca -0.21 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1bdr n PRO 39 Cb 0.53 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1bdr n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bdr n GLY 40 N 1.27 0.31 3.59 -1.23 0.00 -1.26 -5.02 105.19 102.85 1bdr n GLY 40 Ca 0.05 -1.85 -0.26 0.00 0.00 0.00 0.00 46.02 43.96 1bdr n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bdr s ARG 41 N 0.00 1.92 0.08 1.61 3.52 -1.26 -5.17 118.95 119.65 1bdr s ARG 41 Ca 0.00 -1.95 -0.20 0.00 -0.13 0.00 0.00 55.73 53.45 1bdr s ARG 41 Cb 0.00 -1.74 0.05 0.00 -1.56 0.00 0.00 34.95 31.70 1bdr s ARG 41 CO 0.00 0.08 0.49 1.67 -0.81 0.00 0.00 175.30 176.73 1bdr s TRP 42 N -2.62 -0.37 0.20 5.12 1.48 -1.26 -4.60 118.94 116.89 1bdr s TRP 42 Ca 0.34 0.28 0.06 0.00 -1.06 0.00 0.00 56.10 55.72 1bdr s TRP 42 Cb 0.04 0.34 -0.04 0.00 -1.16 0.00 0.00 33.47 32.65 1bdr s TRP 42 CO 0.18 -0.68 0.17 0.15 -4.06 0.00 0.00 176.95 172.70 1bdr s LYS 43 N -2.97 2.93 0.45 3.25 -0.14 -1.07 -4.93 119.74 117.27 1bdr s LYS 43 Ca -0.02 -0.93 -0.21 0.00 -1.36 0.00 0.00 55.97 53.45 1bdr s LYS 43 Cb -0.00 -2.63 -0.10 0.00 -1.68 0.00 0.00 37.83 33.42 1bdr s LYS 43 CO -0.06 0.46 1.00 -2.14 -0.76 0.00 0.00 175.35 173.85 1bdr s PRO 44 N -3.38 4.03 -0.25 -1.68 0.02 -1.26 -2.63 135.00 129.84 1bdr s PRO 44 Ca 0.32 1.28 -0.26 0.00 0.02 0.00 0.00 61.00 62.36 1bdr s PRO 44 Cb -0.09 -2.19 0.08 0.00 0.02 0.00 0.00 34.50 32.32 1bdr s PRO 44 CO 0.24 -0.22 0.80 0.21 -0.33 0.00 0.00 177.00 177.69 1bdr s LYS 45 N -3.11 0.77 -0.07 5.54 2.20 -1.17 -4.93 119.74 118.97 1bdr s LYS 45 Ca 0.64 0.82 0.04 0.00 -0.36 0.00 0.00 55.97 57.11 1bdr s LYS 45 Cb -0.14 0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 36.54 1bdr s LYS 45 CO 0.18 -0.11 -0.19 -1.64 -0.36 0.00 0.00 175.35 173.23 1bdr s MET 46 N 0.17 2.75 0.13 4.03 -1.94 -1.26 -1.27 119.30 121.92 1bdr s MET 46 Ca -0.00 -0.78 0.10 0.00 -1.71 0.00 0.00 55.69 53.30 1bdr s MET 46 Cb -0.04 -2.35 -0.04 0.00 2.01 0.00 0.00 34.83 34.41 1bdr s MET 46 CO 0.00 0.41 -0.25 0.96 -0.01 0.00 0.00 175.02 176.14 1bdr s ILE 47 N -0.21 2.11 -0.09 2.53 -4.36 -0.02 -4.92 121.20 116.25 1bdr s ILE 47 Ca -0.01 -1.74 -0.08 0.00 -0.26 0.00 0.00 60.65 58.57 1bdr s ILE 47 Cb -0.13 -1.89 0.02 0.00 1.25 0.00 0.00 42.46 41.71 1bdr s ILE 47 CO 0.03 0.01 0.23 -0.83 0.24 0.00 0.00 174.94 174.62 1bdr s GLY 48 N -2.11 -0.17 0.00 6.27 0.00 -1.26 -0.60 107.32 109.45 1bdr s GLY 48 Ca 0.13 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.52 1bdr s GLY 48 CO 0.06 0.61 0.00 0.61 0.00 0.00 0.00 173.10 174.38 1bdr n GLY 49 N 3.06 3.48 3.80 0.20 0.00 -0.91 -4.94 105.19 109.88 1bdr n GLY 49 Ca -0.14 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 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 3.30 4.04 0.00 -0.61 -5.25 -1.26 -3.83 121.20 117.59 1bdr s ILE 50 Ca 0.00 1.38 0.00 0.00 -0.99 0.00 0.00 60.65 61.04 1bdr s ILE 50 Cb 0.00 -3.62 0.00 0.00 2.95 0.00 0.00 42.46 41.79 1bdr s ILE 50 CO 0.00 -0.17 0.00 0.61 -1.79 0.00 0.00 174.94 173.59 1bdr n GLY 51 N -0.16 2.37 0.00 6.27 0.00 -1.26 -4.96 105.19 107.44 1bdr n GLY 51 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 -1.61 3.91 -0.02 0.00 -1.25 -5.14 105.19 101.08 1bdr n GLY 52 Ca 0.00 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.50 3.48 0.04 1.61 0.40 -1.26 -2.14 117.98 117.62 1bdr s PHE 53 Ca 0.00 0.49 0.01 0.00 -0.60 0.00 0.00 56.93 56.83 1bdr s PHE 53 Cb 0.00 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.54 1bdr s PHE 53 CO 0.00 0.42 -0.05 0.96 0.70 0.00 0.00 175.22 177.25 1bdr s ILE 54 N -1.72 0.34 -0.16 0.64 -4.36 0.23 -4.96 121.20 111.21 1bdr s ILE 54 Ca 0.40 -1.26 -0.21 0.00 -0.26 0.00 0.00 60.65 59.33 1bdr s ILE 54 Cb -0.12 -0.78 -0.03 0.00 1.25 0.00 0.00 42.46 42.78 1bdr s ILE 54 CO 0.26 -0.60 0.60 -0.75 0.24 0.00 0.00 174.94 174.69 1bdr s LYS 55 N -2.26 4.28 0.24 0.37 2.36 -1.26 -0.84 119.74 122.63 1bdr s LYS 55 Ca -0.06 0.62 0.06 0.00 -2.55 0.00 0.00 55.97 54.03 1bdr s LYS 55 Cb -0.05 -3.52 -0.05 0.00 -1.05 0.00 0.00 37.83 33.16 1bdr s LYS 55 CO -0.03 -0.10 -0.07 0.14 1.55 0.00 0.00 175.35 176.85 1bdr s VAL 56 N 1.43 1.51 -0.19 4.02 -7.23 -0.39 -4.62 120.40 114.93 1bdr s VAL 56 Ca 0.29 -2.12 -0.04 0.00 -1.81 0.00 0.00 61.98 58.30 1bdr s VAL 56 Cb -0.16 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 1bdr s VAL 56 CO 0.12 -0.40 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.35 1bdr s ARG 57 N -3.74 3.58 -0.19 4.82 0.52 -0.23 -3.06 118.95 120.64 1bdr s ARG 57 Ca 0.27 -0.55 -0.04 0.00 -0.52 0.00 0.00 55.73 54.89 1bdr s ARG 57 Cb 0.03 -3.00 -0.02 0.00 0.52 0.00 0.00 34.95 32.49 1bdr s ARG 57 CO 0.09 0.05 -0.03 1.14 0.02 0.00 0.00 175.30 176.58 1bdr s GLN 58 N 0.87 3.54 -0.11 3.54 -2.07 -1.08 -0.30 119.66 124.05 1bdr s GLN 58 Ca -0.00 -0.56 0.00 0.00 -1.82 0.00 0.00 55.36 52.98 1bdr s GLN 58 Cb -0.14 -3.00 -0.02 0.00 -1.09 0.00 0.00 33.01 28.75 1bdr s GLN 58 CO 0.02 0.00 -0.12 0.71 -1.32 0.00 0.00 175.29 174.58 1bdr s TYR 59 N 0.99 2.82 0.34 9.60 1.51 -0.91 -2.59 117.35 129.11 1bdr s TYR 59 Ca 0.01 -0.46 0.07 0.00 -1.01 0.00 0.00 57.07 55.68 1bdr s TYR 59 Cb -0.14 -1.80 -0.02 0.00 -0.11 0.00 0.00 41.96 39.89 1bdr s TYR 59 CO 0.01 -0.07 0.40 -0.51 -1.11 0.00 0.00 175.55 174.26 1bdr s ASP 60 N 0.05 5.62 -1.34 2.29 1.11 -1.26 -1.52 116.67 121.61 1bdr s ASP 60 Ca -0.04 -0.36 -0.00 0.00 0.18 0.00 0.00 52.55 52.33 1bdr s ASP 60 Cb -0.14 -1.06 -0.00 0.00 1.07 0.00 0.00 42.92 42.79 1bdr s ASP 60 CO 0.04 -0.43 0.58 0.00 1.18 0.00 0.00 175.17 176.55 1bdr n GLN 61 N -1.53 -4.21 -3.93 8.23 1.13 -1.23 -4.92 117.38 110.92 1bdr n GLN 61 Ca -0.00 0.53 -0.36 0.00 -1.94 0.00 0.00 57.00 55.23 1bdr n GLN 61 Cb 0.59 -4.90 -0.07 0.00 0.11 0.00 0.00 30.24 25.97 1bdr n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bdr s ILE 62 N -3.79 5.27 -0.28 5.09 -1.09 -0.91 -4.90 121.20 120.60 1bdr s ILE 62 Ca 0.01 0.13 -0.17 0.00 -2.23 0.00 0.00 60.65 58.38 1bdr s ILE 62 Cb -0.00 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.54 1bdr s ILE 62 CO 0.84 0.57 0.46 -0.22 -1.23 0.00 0.00 174.94 175.36 1bdr s LEU 63 N -0.63 4.10 0.07 2.97 2.96 -1.26 -2.78 118.68 124.10 1bdr s LEU 63 Ca 0.12 0.33 0.09 0.00 -0.22 0.00 0.00 54.13 54.45 1bdr s LEU 63 Cb -0.12 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.98 1bdr s LEU 63 CO 0.02 -0.28 -0.23 -0.51 -1.32 0.00 0.00 176.35 174.03 1bdr s ILE 64 N 2.23 1.88 -0.24 6.68 2.07 -0.79 -3.63 121.20 129.41 1bdr s ILE 64 Ca 0.18 -1.40 0.01 0.00 -1.41 0.00 0.00 60.65 58.03 1bdr s ILE 64 Cb -0.16 -1.64 0.06 0.00 0.13 0.00 0.00 42.46 40.85 1bdr s ILE 64 CO 0.10 0.17 -0.04 -0.70 -1.91 0.00 0.00 174.94 172.56 1bdr s GLU 65 N -1.47 1.55 -0.42 3.50 2.12 0.43 -1.78 118.70 122.63 1bdr s GLU 65 Ca 0.09 -0.97 -0.14 0.00 0.36 0.00 0.00 54.97 54.31 1bdr s GLU 65 Cb -0.09 -2.56 0.04 0.00 0.26 0.00 0.00 34.13 31.77 1bdr s GLU 65 CO 0.03 -0.61 0.30 0.42 -0.54 0.00 0.00 175.26 174.86 1bdr s ILE 66 N 1.42 5.07 -1.16 -3.70 1.01 0.07 -0.89 121.20 123.02 1bdr s ILE 66 Ca -0.05 -0.83 -0.27 0.00 0.00 0.00 0.00 60.65 59.49 1bdr s ILE 66 Cb -0.19 -3.89 0.02 0.00 0.01 0.00 0.00 42.46 38.42 1bdr s ILE 66 CO -0.07 -0.37 0.73 0.00 0.00 0.00 0.00 174.94 175.24 1bdr n GLY 68 N -1.89 1.35 3.68 0.00 0.00 -1.26 -4.95 105.19 102.12 1bdr n GLY 68 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.94 3.40 0.12 1.61 4.02 -0.25 -5.07 115.29 117.18 1bdr s HIS 69 Ca 0.00 0.67 -0.13 0.00 1.02 0.00 0.00 55.06 56.62 1bdr s HIS 69 Cb 0.00 -2.53 -0.07 0.00 -1.02 0.00 0.00 32.58 28.97 1bdr s HIS 69 CO 0.00 0.03 0.50 0.15 1.02 0.00 0.00 174.74 176.44 1bdr s LYS 70 N 1.17 3.91 0.03 1.40 1.02 -1.26 -0.75 119.74 125.26 1bdr s LYS 70 Ca 0.20 0.40 -0.23 0.00 0.02 0.00 0.00 55.97 56.36 1bdr s LYS 70 Cb -0.15 -2.96 0.05 0.00 -0.52 0.00 0.00 37.83 34.26 1bdr s LYS 70 CO 0.08 0.51 0.53 0.00 -0.92 0.00 0.00 175.35 175.55 1bdr s ALA 71 N -1.44 -1.37 -0.08 5.17 0.00 -0.73 -4.88 121.76 118.43 1bdr s ALA 71 Ca 0.36 0.70 0.02 0.00 0.00 0.00 0.00 51.96 53.04 1bdr s ALA 71 Cb -0.15 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.29 1bdr s ALA 71 CO 0.19 -0.47 -0.11 0.42 0.00 0.00 0.00 175.76 175.79 1bdr s ILE 72 N -2.16 1.07 0.11 0.00 1.01 -1.26 -1.88 121.20 118.09 1bdr s ILE 72 Ca -0.07 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.06 1bdr s ILE 72 Cb -0.01 -1.01 0.04 0.00 0.01 0.00 0.00 42.46 41.49 1bdr s ILE 72 CO 0.01 0.35 0.54 0.61 0.00 0.00 0.00 174.94 176.44 1bdr n GLY 73 N 4.09 0.99 3.69 6.18 0.00 -1.12 -4.91 105.19 114.11 1bdr n GLY 73 Ca -0.21 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.33 4.30 -0.05 2.61 2.01 -1.26 -2.14 115.64 118.79 1bdr s THR 74 Ca 0.12 1.62 0.06 0.00 0.31 0.00 0.00 61.69 63.79 1bdr s THR 74 Cb -0.02 -4.04 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 1bdr s THR 74 CO 0.03 -0.00 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.05 1bdr s VAL 75 N 2.19 1.81 -0.15 3.82 1.01 -0.58 -4.43 120.40 124.08 1bdr s VAL 75 Ca 0.55 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 1bdr s VAL 75 Cb -0.24 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1bdr s VAL 75 CO 0.22 0.51 0.01 -0.76 0.00 0.00 0.00 175.10 175.07 1bdr s LEU 76 N -0.16 3.52 -0.29 3.92 1.43 -0.43 -2.14 118.68 124.53 1bdr s LEU 76 Ca -0.02 0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.04 1bdr s LEU 76 Cb -0.12 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1bdr s LEU 76 CO 0.02 0.22 0.03 -0.69 0.23 0.00 0.00 176.35 176.17 1bdr s VAL 77 N 0.08 3.52 0.09 -1.59 1.01 0.59 -1.12 120.40 122.98 1bdr s VAL 77 Ca 0.02 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 60.80 1bdr s VAL 77 Cb -0.13 -2.86 0.08 0.00 0.00 0.00 0.00 36.38 33.47 1bdr s VAL 77 CO 0.02 0.05 1.02 -0.83 0.00 0.00 0.00 175.10 175.37 1bdr s GLY 78 N 1.41 -0.29 -1.15 4.51 0.00 -1.20 -1.07 107.32 109.53 1bdr s GLY 78 Ca 0.00 0.37 -0.23 0.00 0.00 0.00 0.00 44.72 44.86 1bdr s GLY 78 CO 0.00 0.07 1.95 2.56 0.00 0.00 0.00 173.10 177.68 1bdr s PRO 79 N -3.08 2.45 0.02 2.90 0.04 -1.26 -4.27 135.00 131.80 1bdr s PRO 79 Ca 0.12 -1.03 -0.01 0.00 0.04 0.00 0.00 61.00 60.11 1bdr s PRO 79 Cb -0.00 -5.21 -0.04 0.00 0.04 0.00 0.00 34.50 29.29 1bdr s PRO 79 CO -0.00 -3.98 0.19 -0.08 0.04 0.00 0.00 177.00 173.17 1bdr s THR 80 N 11.17 5.38 0.40 1.26 -1.32 -1.26 -5.03 115.64 126.24 1bdr s THR 80 Ca 0.69 -0.28 0.13 0.00 -1.21 0.00 0.00 61.69 61.02 1bdr s THR 80 Cb -0.02 -3.56 0.13 0.00 -1.51 0.00 0.00 72.50 67.54 1bdr s THR 80 CO 0.12 0.24 1.90 -0.65 -2.21 0.00 0.00 174.62 174.02 1bdr h PRO 81 N 3.49 0.00 -4.06 7.08 0.11 -1.98 -3.45 132.00 133.19 1bdr h PRO 81 Ca -0.47 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1bdr h PRO 81 Cb 1.17 -0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.14 1bdr h PRO 81 CO 0.72 0.29 -0.49 0.14 -0.21 0.00 0.00 178.00 178.45 1bdr s VAL 82 N -4.40 0.13 -0.01 3.15 -7.23 -1.26 -5.14 120.40 105.65 1bdr s VAL 82 Ca -0.03 -1.53 -0.21 0.00 -1.81 0.00 0.00 61.98 58.40 1bdr s VAL 82 Cb 0.15 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.39 1bdr s VAL 82 CO 0.71 -0.61 0.63 0.20 -0.31 0.00 0.00 175.10 175.72 1bdr s ASN 83 N -2.94 6.99 -0.12 4.85 0.01 -1.26 -4.83 114.94 117.64 1bdr s ASN 83 Ca 0.12 1.18 0.03 0.00 -0.71 0.00 0.00 52.86 53.48 1bdr s ASN 83 Cb 0.06 -2.38 -0.00 0.00 0.41 0.00 0.00 41.25 39.34 1bdr s ASN 83 CO -0.05 0.05 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.75 1bdr s ILE 84 N 0.03 2.28 -0.41 0.60 1.01 -0.83 -0.69 121.20 123.19 1bdr s ILE 84 Ca 0.33 -0.93 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 1bdr s ILE 84 Cb -0.18 -1.90 0.09 0.00 0.01 0.00 0.00 42.46 40.47 1bdr s ILE 84 CO 0.18 0.55 0.23 -0.63 0.00 0.00 0.00 174.94 175.26 1bdr s ILE 85 N 0.45 3.85 0.68 2.92 -1.09 -0.48 -1.86 121.20 125.68 1bdr s ILE 85 Ca -0.15 -1.60 -0.04 0.00 -2.23 0.00 0.00 60.65 56.63 1bdr s ILE 85 Cb -0.17 -3.43 0.07 0.00 -1.58 0.00 0.00 42.46 37.35 1bdr s ILE 85 CO 0.06 -0.53 0.96 -0.83 -1.23 0.00 0.00 174.94 173.37 1bdr s GLY 86 N 2.00 1.74 0.55 6.18 0.00 -1.21 -1.29 107.32 115.29 1bdr s GLY 86 Ca 0.04 -1.13 0.35 0.00 0.00 0.00 0.00 44.72 43.98 1bdr s GLY 86 CO -0.00 -0.72 1.81 3.21 0.00 0.00 0.00 173.10 177.40 1bdr h ARG 87 N -0.46 0.00 0.00 2.90 3.08 -0.87 -0.47 114.38 118.56 1bdr h ARG 87 Ca -0.43 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 1bdr h ARG 87 Cb 1.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.35 1bdr h ARG 87 CO 0.55 0.00 -0.03 -2.95 -1.07 0.00 0.00 179.97 176.47 1bdr h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.77 -1.99 115.58 117.80 1bdr h ASN 88 Ca 0.51 0.00 -0.28 0.00 0.07 0.00 0.00 56.30 56.60 1bdr h ASN 88 Cb 2.11 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 38.31 1bdr h ASN 88 CO -0.01 0.03 -2.07 0.18 0.07 0.00 0.00 177.43 175.63 1bdr n LEU 89 N -3.34 2.00 -0.02 6.14 4.77 -0.23 -4.52 117.00 121.79 1bdr n LEU 89 Ca -0.02 -0.07 0.14 0.00 -0.03 0.00 0.00 56.01 56.03 1bdr n LEU 89 Cb 0.15 -0.33 0.57 0.00 -2.33 0.00 0.00 43.42 41.48 1bdr n LEU 89 CO 0.25 0.67 1.17 -0.07 -1.33 0.00 0.00 177.39 178.09 1bdr h LEU 90 N 0.00 0.22 -0.73 2.23 3.38 -1.09 -1.35 115.31 117.97 1bdr h LEU 90 Ca -0.42 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.43 1bdr h LEU 90 Cb 1.75 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 1bdr h LEU 90 CO -0.04 0.13 -0.38 0.71 0.09 0.00 0.00 178.44 178.95 1bdr h THR 91 N 0.25 1.30 0.00 0.22 1.35 -1.60 -0.31 112.91 114.12 1bdr h THR 91 Ca 0.24 -1.53 -0.10 0.00 -0.55 0.00 0.00 66.41 64.47 1bdr h THR 91 Cb 0.62 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 1bdr h THR 91 CO -0.05 0.48 -0.50 1.56 -0.25 0.00 0.00 175.52 176.77 1bdr h GLN 92 N 0.43 0.00 -0.15 4.72 4.20 -1.48 -2.61 115.11 120.21 1bdr h GLN 92 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1bdr h GLN 92 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1bdr h GLN 92 CO 0.07 0.50 0.00 0.44 -0.67 0.00 0.00 178.83 179.17 1bdr n ILE 93 N -3.67 0.19 -1.47 2.54 -5.35 -1.10 -4.91 119.36 105.59 1bdr n ILE 93 Ca -0.01 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 1bdr n ILE 93 Cb 0.56 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 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 1.19 0.40 3.73 3.28 0.00 -0.99 -5.02 105.19 107.79 1bdr n GLY 94 Ca 0.17 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 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 0.22 0.63 -0.17 0.00 -4.23 -1.26 -4.63 115.64 106.20 1bdr s THR 96 Ca 0.54 -1.49 -0.09 0.00 -1.18 0.00 0.00 61.69 59.47 1bdr s THR 96 Cb -0.31 -1.13 -0.05 0.00 1.34 0.00 0.00 72.50 72.36 1bdr s THR 96 CO 0.34 -0.61 0.13 -0.22 -0.54 0.00 0.00 174.62 173.72 1bdr s LEU 97 N -2.28 4.24 0.06 4.79 2.96 -1.26 -5.10 118.68 122.09 1bdr s LEU 97 Ca 0.00 0.30 0.05 0.00 -0.22 0.00 0.00 54.13 54.27 1bdr s LEU 97 Cb -0.03 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1bdr s LEU 97 CO -0.02 0.26 -0.14 0.20 -1.32 0.00 0.00 176.35 175.33 1bdr s ASN 98 N -0.12 1.67 0.00 3.68 0.02 -1.26 -5.28 114.94 113.65 1bdr s ASN 98 Ca 0.10 -0.55 0.00 0.00 -1.02 0.00 0.00 52.86 51.39 1bdr s ASN 98 Cb -0.11 -0.07 0.00 0.00 0.02 0.00 0.00 41.25 41.08 1bdr s ASN 98 CO 0.00 -0.03 0.00 2.22 0.02 0.00 0.00 177.10 179.31