#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdd s GLN 2 N 0.00 3.41 -0.26 -0.52 0.74 -1.26 -5.10 119.66 116.67 3kdd s GLN 2 Ca 0.00 -0.62 -0.05 0.00 0.05 0.00 0.00 55.36 54.74 3kdd s GLN 2 Cb 0.00 -2.98 0.01 0.00 1.10 0.00 0.00 33.01 31.13 3kdd s GLN 2 CO 0.00 -0.13 0.02 0.42 -0.55 0.00 0.00 175.29 175.05 3kdd s ILE 3 N 1.30 3.64 0.82 -2.34 1.01 -1.26 -5.10 121.20 119.28 3kdd s ILE 3 Ca 0.04 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.90 3kdd s ILE 3 Cb -0.14 -2.81 0.09 0.00 0.01 0.00 0.00 42.46 39.60 3kdd s ILE 3 CO -0.02 0.20 1.15 0.42 0.00 0.00 0.00 174.94 176.69 3kdd s THR 4 N 1.47 2.32 -0.16 2.92 -4.23 -1.26 -5.01 115.64 111.69 3kdd s THR 4 Ca 0.03 0.10 0.16 0.00 -1.18 0.00 0.00 61.69 60.81 3kdd s THR 4 Cb -0.16 -3.00 0.36 0.00 1.34 0.00 0.00 72.50 71.03 3kdd s THR 4 CO -0.00 -0.14 1.21 0.18 -0.54 0.00 0.00 174.62 175.33 3kdd n LEU 5 N -3.42 2.66 -0.30 4.79 4.77 -1.26 -4.66 117.00 119.58 3kdd n LEU 5 Ca 0.07 -3.34 -0.02 0.00 -0.03 0.00 0.00 56.01 52.69 3kdd n LEU 5 Cb 0.59 -0.48 0.15 0.00 -2.33 0.00 0.00 43.42 41.36 3kdd n LEU 5 CO 0.57 0.92 1.22 -0.50 -1.33 0.00 0.00 177.39 178.28 3kdd h TRP 6 N 0.47 1.13 -1.78 -1.77 4.06 -2.06 -3.44 115.95 112.56 3kdd h TRP 6 Ca 0.01 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.37 3kdd h TRP 6 Cb 1.07 -0.37 -0.13 0.00 -1.00 0.00 0.00 29.16 28.72 3kdd h TRP 6 CO 0.30 0.75 -0.55 -1.59 -3.56 0.00 0.00 178.44 173.78 3kdd s LYS 7 N -5.89 1.95 0.17 0.49 -2.85 -1.26 -5.11 119.74 107.24 3kdd s LYS 7 Ca -0.12 -2.17 -0.33 0.00 -1.00 0.00 0.00 55.97 52.35 3kdd s LYS 7 Cb 0.17 -1.17 -0.13 0.00 -2.06 0.00 0.00 37.83 34.65 3kdd s LYS 7 CO 0.81 -0.28 1.68 0.54 0.10 0.00 0.00 175.35 178.19 3kdd n ARG 8 N -0.98 2.50 -2.29 1.78 1.74 -1.26 -4.88 116.66 113.28 3kdd n ARG 8 Ca -0.09 0.90 -0.39 0.00 -0.77 0.00 0.00 57.85 57.50 3kdd n ARG 8 Cb 0.66 -2.72 -0.02 0.00 -1.02 0.00 0.00 32.46 29.36 3kdd n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3kdd n PRO 9 N 3.94 2.69 -3.38 5.56 -0.04 -1.26 -4.95 135.00 137.56 3kdd n PRO 9 Ca 0.17 -2.94 -0.38 0.00 -0.04 0.00 0.00 63.50 60.31 3kdd n PRO 9 Cb 0.32 -3.50 -0.06 0.00 -0.04 0.00 0.00 33.50 30.22 3kdd n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kdd s LEU 10 N 5.51 4.44 0.18 1.53 1.43 -1.26 -1.02 118.68 129.49 3kdd s LEU 10 Ca 0.57 1.02 0.04 0.00 -1.03 0.00 0.00 54.13 54.72 3kdd s LEU 10 Cb 0.05 -2.71 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 3kdd s LEU 10 CO 0.08 0.22 -0.05 0.68 0.23 0.00 0.00 176.35 177.50 3kdd s VAL 11 N -0.61 1.07 -0.22 -1.59 -7.23 0.32 -4.96 120.40 107.19 3kdd s VAL 11 Ca 0.26 -2.04 -0.15 0.00 -1.81 0.00 0.00 61.98 58.24 3kdd s VAL 11 Cb -0.17 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 3kdd s VAL 11 CO 0.14 -0.55 0.36 -0.89 -0.31 0.00 0.00 175.10 173.86 3kdd s THR 12 N -3.39 5.22 0.15 5.32 2.01 -1.26 -0.79 115.64 122.89 3kdd s THR 12 Ca 0.22 0.62 0.07 0.00 0.31 0.00 0.00 61.69 62.91 3kdd s THR 12 Cb 0.04 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 3kdd s THR 12 CO 0.04 0.25 -0.03 0.27 -0.69 0.00 0.00 174.62 174.46 3kdd s ILE 13 N 1.38 3.62 -0.19 1.82 -4.36 0.10 -4.16 121.20 119.41 3kdd s ILE 13 Ca 0.17 -1.36 -0.04 0.00 -0.26 0.00 0.00 60.65 59.16 3kdd s ILE 13 Cb -0.15 -2.78 -0.02 0.00 1.25 0.00 0.00 42.46 40.77 3kdd s ILE 13 CO 0.08 -0.03 -0.02 -0.75 0.24 0.00 0.00 174.94 174.46 3kdd s LYS 14 N -2.68 3.57 -0.14 0.37 2.20 0.26 -1.31 119.74 122.02 3kdd s LYS 14 Ca 0.26 -0.55 -0.08 0.00 -0.36 0.00 0.00 55.97 55.24 3kdd s LYS 14 Cb -0.10 -3.02 0.05 0.00 -1.51 0.00 0.00 37.83 33.25 3kdd s LYS 14 CO 0.17 0.02 0.33 -1.50 -0.36 0.00 0.00 175.35 174.01 3kdd s ILE 15 N 0.96 -0.03 -1.27 5.43 2.07 0.13 -1.69 121.20 126.80 3kdd s ILE 15 Ca 0.01 0.10 -0.04 0.00 -1.41 0.00 0.00 60.65 59.31 3kdd s ILE 15 Cb -0.14 -0.50 0.03 0.00 0.13 0.00 0.00 42.46 41.98 3kdd s ILE 15 CO 0.01 0.04 0.29 0.61 -1.91 0.00 0.00 174.94 173.99 3kdd n GLY 16 N 4.05 -0.50 2.14 1.50 0.00 -1.26 -0.33 105.19 110.79 3kdd n GLY 16 Ca -0.23 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3kdd n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdd n GLY 17 N -1.08 0.81 3.52 -0.02 0.00 -1.26 -5.03 105.19 102.13 3kdd n GLY 17 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 3kdd n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kdd s GLN 18 N -0.21 2.02 -0.12 1.61 -0.21 0.56 -5.12 119.66 118.20 3kdd s GLN 18 Ca 0.00 -1.05 -0.15 0.00 0.02 0.00 0.00 55.36 54.18 3kdd s GLN 18 Cb 0.00 -2.23 -0.05 0.00 1.00 0.00 0.00 33.01 31.74 3kdd s GLN 18 CO 0.00 0.51 0.37 -0.51 -2.12 0.00 0.00 175.29 173.55 3kdd s LEU 19 N -1.96 4.30 0.03 2.90 1.43 -1.26 -0.69 118.68 123.43 3kdd s LEU 19 Ca 0.18 0.70 0.01 0.00 -1.03 0.00 0.00 54.13 53.99 3kdd s LEU 19 Cb -0.11 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 3kdd s LEU 19 CO 0.10 0.11 -0.05 -0.54 0.23 0.00 0.00 176.35 176.21 3kdd s LYS 20 N 0.20 0.40 0.03 1.70 1.02 -0.42 -4.99 119.74 117.68 3kdd s LYS 20 Ca 0.21 -0.68 -0.22 0.00 0.02 0.00 0.00 55.97 55.30 3kdd s LYS 20 Cb -0.14 -0.04 -0.06 0.00 -0.52 0.00 0.00 37.83 37.07 3kdd s LYS 20 CO 0.08 -0.01 0.65 -1.21 -0.92 0.00 0.00 175.35 173.93 3kdd s GLU 21 N -1.56 4.36 0.04 1.68 0.41 -1.26 0.00 118.70 122.37 3kdd s GLU 21 Ca -0.13 0.85 -0.06 0.00 -0.41 0.00 0.00 54.97 55.22 3kdd s GLU 21 Cb -0.10 -3.32 -0.01 0.00 -1.78 0.00 0.00 34.13 28.92 3kdd s GLU 21 CO -0.01 0.41 0.11 0.00 -0.49 0.00 0.00 175.26 175.29 3kdd s ALA 22 N -0.39 -0.09 -0.19 5.21 0.00 0.03 -4.50 121.76 121.82 3kdd s ALA 22 Ca 0.33 -0.54 -0.13 0.00 0.00 0.00 0.00 51.96 51.61 3kdd s ALA 22 Cb -0.19 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 3kdd s ALA 22 CO 0.20 -0.34 0.27 -1.17 0.00 0.00 0.00 175.76 174.72 3kdd s LEU 23 N -2.20 4.20 -0.51 0.00 2.96 0.63 -0.52 118.68 123.24 3kdd s LEU 23 Ca -0.04 0.41 -0.28 0.00 -0.22 0.00 0.00 54.13 54.00 3kdd s LEU 23 Cb -0.00 -2.32 0.01 0.00 0.50 0.00 0.00 46.19 44.38 3kdd s LEU 23 CO -0.05 0.07 1.42 -0.76 -1.32 0.00 0.00 176.35 175.71 3kdd s LEU 24 N 0.73 3.46 -0.34 -0.68 1.43 -0.19 -0.66 118.68 122.44 3kdd s LEU 24 Ca 0.14 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.74 3kdd s LEU 24 Cb -0.13 -3.22 0.10 0.00 0.03 0.00 0.00 46.19 42.98 3kdd s LEU 24 CO 0.04 -1.63 0.07 -0.62 0.23 0.00 0.00 176.35 174.45 3kdd s ASP 25 N 4.33 4.54 0.36 2.29 -1.08 -0.42 -4.80 116.67 121.89 3kdd s ASP 25 Ca 0.56 -2.07 0.27 0.00 -0.52 0.00 0.00 52.55 50.79 3kdd s ASP 25 Cb -0.12 -1.42 1.10 0.00 -1.46 0.00 0.00 42.92 41.02 3kdd s ASP 25 CO 0.28 -0.38 1.81 0.71 0.52 0.00 0.00 175.17 178.11 3kdd h THR 26 N 6.51 0.00 -0.00 1.71 1.35 -1.93 -2.29 112.91 118.26 3kdd h THR 26 Ca -0.07 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3kdd h THR 26 Cb 1.01 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3kdd h THR 26 CO 0.51 0.00 -0.07 0.61 -0.25 0.00 0.00 175.52 176.33 3kdd n GLY 27 N 0.11 -0.91 3.51 5.82 0.00 -1.26 -4.79 105.19 107.66 3kdd n GLY 27 Ca 0.02 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 3kdd n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdd s ALA 28 N -2.37 3.32 0.28 4.61 0.00 -0.86 -4.97 121.76 121.77 3kdd s ALA 28 Ca 0.33 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 3kdd s ALA 28 Cb 0.20 -2.26 0.38 0.00 0.00 0.00 0.00 23.12 21.45 3kdd s ALA 28 CO 0.44 -0.52 1.88 -0.44 0.00 0.00 0.00 175.76 177.13 3kdd h ASP 29 N 8.30 0.92 -2.34 0.00 3.32 -1.86 0.13 116.42 124.87 3kdd h ASP 29 Ca -0.37 -0.09 -0.56 0.00 0.02 0.00 0.00 57.03 56.02 3kdd h ASP 29 Cb 1.18 -0.23 -0.13 0.00 0.22 0.00 0.00 39.33 40.36 3kdd h ASP 29 CO 0.57 0.77 -0.62 -1.81 -1.72 0.00 0.00 179.24 176.42 3kdd s ASP 30 N -6.41 3.25 -0.20 6.45 1.01 -1.26 -2.35 116.67 117.17 3kdd s ASP 30 Ca -0.11 -1.33 -0.13 0.00 0.71 0.00 0.00 52.55 51.69 3kdd s ASP 30 Cb 0.17 -0.27 -0.05 0.00 1.01 0.00 0.00 42.92 43.78 3kdd s ASP 30 CO 0.80 -0.46 0.26 -0.89 0.21 0.00 0.00 175.17 175.10 3kdd s THR 31 N -2.92 5.31 -0.07 -1.27 2.01 -1.26 -3.18 115.64 114.26 3kdd s THR 31 Ca 0.34 0.44 0.02 0.00 0.31 0.00 0.00 61.69 62.81 3kdd s THR 31 Cb 0.08 -3.60 0.01 0.00 0.01 0.00 0.00 72.50 69.00 3kdd s THR 31 CO 0.16 0.36 -0.14 0.54 -0.69 0.00 0.00 174.62 174.85 3kdd s VAL 32 N 0.78 1.28 -0.02 3.82 0.11 -0.85 -0.48 120.40 125.04 3kdd s VAL 32 Ca 0.14 -0.56 0.07 0.00 -2.93 0.00 0.00 61.98 58.70 3kdd s VAL 32 Cb -0.13 -1.16 -0.02 0.00 -1.53 0.00 0.00 36.38 33.54 3kdd s VAL 32 CO 0.04 0.39 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.34 3kdd s ILE 33 N 0.67 1.80 1.00 7.04 -1.09 0.22 -0.75 121.20 130.08 3kdd s ILE 33 Ca -0.14 -0.98 -0.16 0.00 -2.23 0.00 0.00 60.65 57.14 3kdd s ILE 33 Cb -0.16 -1.50 -0.00 0.00 -1.58 0.00 0.00 42.46 39.22 3kdd s ILE 33 CO 0.04 0.50 -0.03 -1.84 -1.23 0.00 0.00 174.94 172.38 3kdd n GLU 34 N 2.49 -0.47 -1.62 2.79 0.28 -1.25 -1.59 120.64 121.26 3kdd n GLU 34 Ca -0.16 -0.11 -0.53 0.00 -0.16 0.00 0.00 57.16 56.20 3kdd n GLU 34 Cb 0.52 -1.61 -0.06 0.00 1.43 0.00 0.00 31.44 31.72 3kdd n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3kdd n GLU 35 N -0.71 1.16 -3.61 3.44 -0.58 -1.24 -4.57 120.64 114.53 3kdd n GLU 35 Ca 0.03 0.42 -0.08 0.00 -0.42 0.00 0.00 57.16 57.11 3kdd n GLU 35 Cb 0.57 -2.07 -0.02 0.00 -0.57 0.00 0.00 31.44 29.35 3kdd n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kdd s MET 36 N 1.31 1.23 0.01 3.49 0.23 -1.26 -5.05 119.30 119.25 3kdd s MET 36 Ca 0.88 -0.57 -0.17 0.00 -1.03 0.00 0.00 55.69 54.81 3kdd s MET 36 Cb -0.98 0.49 -0.06 0.00 -1.53 0.00 0.00 34.83 32.75 3kdd s MET 36 CO 0.52 -0.55 0.46 -1.12 -2.03 0.00 0.00 175.02 172.30 3kdd s SER 37 N -2.75 6.87 0.03 -1.18 0.01 -1.26 -5.04 113.70 110.38 3kdd s SER 37 Ca 0.07 1.03 0.03 0.00 1.31 0.00 0.00 55.95 58.39 3kdd s SER 37 Cb -0.02 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.90 3kdd s SER 37 CO -0.04 0.27 -0.08 -0.76 0.41 0.00 0.00 173.24 173.03 3kdd s LEU 38 N -0.86 2.19 0.52 2.44 1.43 -1.26 -4.86 118.68 118.28 3kdd s LEU 38 Ca 0.26 -0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 52.73 3kdd s LEU 38 Cb -0.17 -0.25 -0.07 0.00 0.03 0.00 0.00 46.19 45.72 3kdd s LEU 38 CO 0.15 -0.11 1.02 -2.16 0.23 0.00 0.00 176.35 175.47 3kdd s PRO 39 N -1.22 3.76 0.11 1.29 0.04 -1.26 -4.96 135.00 132.76 3kdd s PRO 39 Ca -0.06 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.15 3kdd s PRO 39 Cb -0.08 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3kdd s PRO 39 CO 0.00 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.01 3kdd n GLY 40 N -0.90 -1.77 3.82 0.56 0.00 -1.26 -4.95 105.19 100.68 3kdd n GLY 40 Ca 0.08 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 3kdd n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kdd s ARG 41 N 0.00 3.30 0.03 1.61 0.52 -1.26 -5.09 118.95 118.06 3kdd s ARG 41 Ca 0.00 1.07 -0.14 0.00 -0.52 0.00 0.00 55.73 56.13 3kdd s ARG 41 Cb 0.00 -2.04 0.02 0.00 0.52 0.00 0.00 34.95 33.46 3kdd s ARG 41 CO 0.00 -0.82 0.32 1.67 0.02 0.00 0.00 175.30 176.49 3kdd s TRP 42 N -2.71 -0.13 0.05 -0.53 1.48 -1.26 -4.41 118.94 111.43 3kdd s TRP 42 Ca 0.61 0.04 0.05 0.00 -1.06 0.00 0.00 56.10 55.73 3kdd s TRP 42 Cb -0.14 0.11 -0.02 0.00 -1.16 0.00 0.00 33.47 32.25 3kdd s TRP 42 CO 0.43 -0.49 -0.14 -1.59 -4.06 0.00 0.00 176.95 171.09 3kdd s LYS 43 N -2.37 0.90 0.58 3.25 -2.85 -0.92 -4.91 119.74 113.43 3kdd s LYS 43 Ca -0.06 -0.80 -0.18 0.00 -1.00 0.00 0.00 55.97 53.93 3kdd s LYS 43 Cb -0.01 -0.90 -0.04 0.00 -2.06 0.00 0.00 37.83 34.81 3kdd s LYS 43 CO -0.02 0.22 1.13 -1.25 0.10 0.00 0.00 175.35 175.53 3kdd s PRO 44 N -1.27 3.14 -0.05 1.78 0.04 -1.26 -0.57 135.00 136.81 3kdd s PRO 44 Ca 0.01 1.57 -0.18 0.00 0.04 0.00 0.00 61.00 62.43 3kdd s PRO 44 Cb -0.08 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.52 3kdd s PRO 44 CO 0.01 -1.02 0.42 0.21 0.04 0.00 0.00 177.00 176.66 3kdd s LYS 45 N -3.54 0.72 -0.16 4.56 2.20 -0.34 -4.85 119.74 118.34 3kdd s LYS 45 Ca 0.72 0.08 -0.03 0.00 -0.36 0.00 0.00 55.97 56.37 3kdd s LYS 45 Cb -0.24 0.33 -0.03 0.00 -1.51 0.00 0.00 37.83 36.39 3kdd s LYS 45 CO 0.32 -0.19 -0.05 -1.64 -0.36 0.00 0.00 175.35 173.44 3kdd s MET 46 N -0.96 3.63 -0.02 4.03 -1.94 -1.26 -0.07 119.30 122.72 3kdd s MET 46 Ca -0.10 -0.54 0.07 0.00 -1.71 0.00 0.00 55.69 53.41 3kdd s MET 46 Cb -0.04 -2.89 -0.02 0.00 2.01 0.00 0.00 34.83 33.90 3kdd s MET 46 CO 0.05 0.22 -0.22 0.96 -0.01 0.00 0.00 175.02 176.02 3kdd s ILE 47 N 0.40 1.76 -0.14 2.53 -4.36 -0.58 -4.97 121.20 115.85 3kdd s ILE 47 Ca -0.05 -0.95 -0.04 0.00 -0.26 0.00 0.00 60.65 59.35 3kdd s ILE 47 Cb -0.14 -1.46 -0.03 0.00 1.25 0.00 0.00 42.46 42.07 3kdd s ILE 47 CO 0.03 0.50 0.01 -0.83 0.24 0.00 0.00 174.94 174.89 3kdd s GLY 48 N -0.49 1.84 0.00 6.27 0.00 -1.26 -0.85 107.32 112.83 3kdd s GLY 48 Ca 0.08 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 44.01 3kdd s GLY 48 CO -0.01 -0.23 0.00 0.61 0.00 0.00 0.00 173.10 173.47 3kdd n GLY 49 N 2.95 6.42 0.30 0.20 0.00 0.87 -4.97 105.19 110.95 3kdd n GLY 49 Ca -0.18 -1.87 0.09 0.00 0.00 0.00 0.00 46.02 44.06 3kdd n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kdd h ILE 50 N 0.20 0.99 -0.28 -0.61 1.08 -2.02 -2.75 117.51 114.12 3kdd h ILE 50 Ca 0.00 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 3kdd h ILE 50 Cb 0.00 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 34.50 3kdd h ILE 50 CO 0.00 0.04 0.00 0.61 -0.69 0.00 0.00 178.15 178.11 3kdd n GLY 51 N -1.53 1.41 0.00 5.37 0.00 -1.26 -5.08 105.19 104.10 3kdd n GLY 51 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3kdd n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdd n GLY 52 N 1.44 0.03 3.76 -0.02 0.00 -1.04 -5.07 105.19 104.29 3kdd n GLY 52 Ca 0.18 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 3kdd n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kdd s PHE 53 N 0.00 3.20 0.14 1.61 0.40 -1.26 -0.09 117.98 121.98 3kdd s PHE 53 Ca 0.00 0.12 0.10 0.00 -0.60 0.00 0.00 56.93 56.55 3kdd s PHE 53 Cb 0.00 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.83 3kdd s PHE 53 CO 0.00 0.52 -0.23 0.96 0.70 0.00 0.00 175.22 177.17 3kdd s ILE 54 N -1.28 2.01 -0.09 0.64 -4.36 -0.03 -4.96 121.20 113.13 3kdd s ILE 54 Ca 0.26 -1.76 -0.19 0.00 -0.26 0.00 0.00 60.65 58.70 3kdd s ILE 54 Cb -0.12 -1.84 -0.04 0.00 1.25 0.00 0.00 42.46 41.70 3kdd s ILE 54 CO 0.18 -0.07 0.52 -0.75 0.24 0.00 0.00 174.94 175.05 3kdd s LYS 55 N -2.24 4.33 0.26 0.37 2.20 -1.26 -1.53 119.74 121.87 3kdd s LYS 55 Ca 0.13 0.54 0.04 0.00 -0.36 0.00 0.00 55.97 56.31 3kdd s LYS 55 Cb -0.09 -3.42 -0.06 0.00 -1.51 0.00 0.00 37.83 32.76 3kdd s LYS 55 CO 0.06 0.19 0.01 0.14 -0.36 0.00 0.00 175.35 175.39 3kdd s VAL 56 N 0.49 1.11 -0.22 4.02 -7.23 0.90 -4.47 120.40 115.01 3kdd s VAL 56 Ca 0.28 -2.04 -0.08 0.00 -1.81 0.00 0.00 61.98 58.33 3kdd s VAL 56 Cb -0.16 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 3kdd s VAL 56 CO 0.12 -0.23 0.09 -0.13 -0.31 0.00 0.00 175.10 174.64 3kdd s ARG 57 N -3.86 3.90 -0.31 4.82 0.52 -0.01 -1.19 118.95 122.81 3kdd s ARG 57 Ca 0.31 -0.36 -0.16 0.00 -0.52 0.00 0.00 55.73 54.99 3kdd s ARG 57 Cb 0.06 -3.33 -0.02 0.00 0.52 0.00 0.00 34.95 32.18 3kdd s ARG 57 CO 0.11 0.08 0.43 -1.14 0.02 0.00 0.00 175.30 174.80 3kdd s GLN 58 N 0.93 3.77 -0.14 3.54 0.74 0.27 -0.72 119.66 128.04 3kdd s GLN 58 Ca 0.05 -0.12 -0.03 0.00 0.05 0.00 0.00 55.36 55.30 3kdd s GLN 58 Cb -0.14 -3.74 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 3kdd s GLN 58 CO 0.03 -0.47 -0.05 0.71 -0.55 0.00 0.00 175.29 174.96 3kdd s TYR 59 N 2.18 3.00 0.22 1.67 1.51 -0.15 -2.17 117.35 123.61 3kdd s TYR 59 Ca 0.16 -0.27 0.05 0.00 -1.01 0.00 0.00 57.07 56.00 3kdd s TYR 59 Cb -0.16 -1.91 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 3kdd s TYR 59 CO 0.11 0.01 0.26 -0.51 -1.11 0.00 0.00 175.55 174.32 3kdd s ASP 60 N 0.18 5.95 -1.27 2.29 1.01 -1.26 -0.00 116.67 123.56 3kdd s ASP 60 Ca -0.02 -0.04 -0.01 0.00 0.71 0.00 0.00 52.55 53.19 3kdd s ASP 60 Cb -0.14 -1.66 -0.00 0.00 1.01 0.00 0.00 42.92 42.13 3kdd s ASP 60 CO 0.03 -0.02 0.77 0.00 0.21 0.00 0.00 175.17 176.16 3kdd n GLN 61 N -1.02 -5.09 -3.89 8.23 6.02 -1.14 -4.90 117.38 115.59 3kdd n GLN 61 Ca -0.08 0.67 -0.35 0.00 -0.01 0.00 0.00 57.00 57.23 3kdd n GLN 61 Cb 0.56 -5.31 -0.09 0.00 1.02 0.00 0.00 30.24 26.42 3kdd n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3kdd s ILE 62 N -3.59 4.97 0.05 5.09 -1.09 0.40 -4.83 121.20 122.20 3kdd s ILE 62 Ca 0.03 0.03 -0.30 0.00 -2.23 0.00 0.00 60.65 58.18 3kdd s ILE 62 Cb -0.01 -3.26 -0.04 0.00 -1.58 0.00 0.00 42.46 37.57 3kdd s ILE 62 CO 0.79 0.44 0.97 -0.63 -1.23 0.00 0.00 174.94 175.28 3kdd s ILE 63 N 0.51 4.69 0.03 2.92 1.01 -1.26 -1.57 121.20 127.53 3kdd s ILE 63 Ca 0.05 2.07 0.04 0.00 0.00 0.00 0.00 60.65 62.80 3kdd s ILE 63 Cb -0.12 -4.32 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 3kdd s ILE 63 CO 0.00 0.24 -0.11 -0.63 0.00 0.00 0.00 174.94 174.44 3kdd s ILE 64 N 0.51 0.83 -0.18 2.92 1.01 0.21 -4.50 121.20 122.00 3kdd s ILE 64 Ca 0.49 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 3kdd s ILE 64 Cb -0.22 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.48 3kdd s ILE 64 CO 0.29 -0.05 -0.13 -1.61 0.00 0.00 0.00 174.94 173.44 3kdd s GLU 65 N -1.01 3.21 -0.13 2.79 2.02 -0.68 -0.17 118.70 124.72 3kdd s GLU 65 Ca -0.01 -0.73 -0.03 0.00 0.02 0.00 0.00 54.97 54.22 3kdd s GLU 65 Cb -0.07 -2.75 0.05 0.00 0.10 0.00 0.00 34.13 31.46 3kdd s GLU 65 CO 0.01 -0.12 0.05 -1.50 0.02 0.00 0.00 175.26 173.72 3kdd s ILE 66 N 1.17 0.19 -1.45 -1.63 2.07 0.26 -0.57 121.20 121.25 3kdd s ILE 66 Ca 0.02 -0.12 -0.05 0.00 -1.41 0.00 0.00 60.65 59.09 3kdd s ILE 66 Cb -0.14 -0.63 0.04 0.00 0.13 0.00 0.00 42.46 41.85 3kdd s ILE 66 CO -0.05 -0.07 0.63 0.00 -1.91 0.00 0.00 174.94 173.55 3kdd n GLY 68 N -1.75 3.00 3.59 0.00 0.00 -1.26 -4.98 105.19 103.79 3kdd n GLY 68 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3kdd n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kdd s HIS 69 N -2.27 3.18 0.00 1.61 4.02 -0.58 -5.04 115.29 116.21 3kdd s HIS 69 Ca 0.00 0.59 -0.26 0.00 1.02 0.00 0.00 55.06 56.41 3kdd s HIS 69 Cb 0.00 -3.15 -0.04 0.00 -1.02 0.00 0.00 32.58 28.37 3kdd s HIS 69 CO 0.00 -0.57 0.80 0.15 1.02 0.00 0.00 174.74 176.14 3kdd s LYS 70 N 2.80 4.50 0.09 1.40 1.02 -1.26 -0.57 119.74 127.72 3kdd s LYS 70 Ca 0.28 1.10 0.01 0.00 0.02 0.00 0.00 55.97 57.38 3kdd s LYS 70 Cb -0.14 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 3kdd s LYS 70 CO 0.13 0.14 -0.05 0.00 -0.92 0.00 0.00 175.35 174.66 3kdd s ALA 71 N 0.43 0.86 -0.02 5.17 0.00 0.75 -4.95 121.76 123.99 3kdd s ALA 71 Ca 0.41 -1.32 0.05 0.00 0.00 0.00 0.00 51.96 51.10 3kdd s ALA 71 Cb -0.20 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3kdd s ALA 71 CO 0.23 -0.28 -0.18 -1.50 0.00 0.00 0.00 175.76 174.03 3kdd s ILE 72 N -3.72 1.44 0.00 0.00 2.07 -1.26 -0.62 121.20 119.12 3kdd s ILE 72 Ca 0.11 -0.77 -0.11 0.00 -1.41 0.00 0.00 60.65 58.48 3kdd s ILE 72 Cb 0.06 -1.21 0.04 0.00 0.13 0.00 0.00 42.46 41.48 3kdd s ILE 72 CO -0.06 0.41 0.50 0.61 -1.91 0.00 0.00 174.94 174.49 3kdd n GLY 73 N 2.77 0.56 3.74 1.50 0.00 -0.61 -4.90 105.19 108.25 3kdd n GLY 73 Ca -0.16 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 3kdd n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kdd s THR 74 N -2.14 4.11 -0.09 2.61 2.01 -1.26 -0.45 115.64 120.43 3kdd s THR 74 Ca 0.12 1.84 0.03 0.00 0.31 0.00 0.00 61.69 63.99 3kdd s THR 74 Cb -0.00 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.34 3kdd s THR 74 CO 0.00 0.33 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.38 3kdd s VAL 75 N -0.31 1.61 -0.14 3.82 1.01 1.00 -4.40 120.40 122.99 3kdd s VAL 75 Ca 0.47 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 3kdd s VAL 75 Cb -0.27 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 3kdd s VAL 75 CO 0.33 0.46 0.20 -0.76 0.00 0.00 0.00 175.10 175.33 3kdd s LEU 76 N 0.52 4.32 -0.14 3.92 1.43 0.37 -0.98 118.68 128.13 3kdd s LEU 76 Ca -0.16 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 3kdd s LEU 76 Cb -0.17 -2.20 -0.00 0.00 0.03 0.00 0.00 46.19 43.86 3kdd s LEU 76 CO 0.06 0.27 -0.18 -0.69 0.23 0.00 0.00 176.35 176.04 3kdd s VAL 77 N -0.32 2.47 0.00 -1.59 1.01 0.10 -0.61 120.40 121.45 3kdd s VAL 77 Ca 0.14 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3kdd s VAL 77 Cb -0.12 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.24 3kdd s VAL 77 CO 0.03 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3kdd n GLY 78 N 3.87 0.48 2.12 4.51 0.00 -0.62 -0.83 105.19 114.71 3kdd n GLY 78 Ca -0.19 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 3kdd n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kdd n PRO 79 N 0.00 2.35 -2.59 1.61 -0.04 -1.26 -3.66 135.00 131.41 3kdd n PRO 79 Ca 0.00 -1.28 -0.40 0.00 -0.04 0.00 0.00 63.50 61.78 3kdd n PRO 79 Cb 0.00 -2.19 -0.05 0.00 -0.04 0.00 0.00 33.50 31.22 3kdd n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3kdd s THR 80 N 1.44 3.79 0.39 0.52 -1.32 -1.26 -4.95 115.64 114.25 3kdd s THR 80 Ca 0.64 1.75 0.27 0.00 -1.21 0.00 0.00 61.69 63.14 3kdd s THR 80 Cb 0.27 -4.11 0.28 0.00 -1.51 0.00 0.00 72.50 67.42 3kdd s THR 80 CO -0.02 0.40 2.04 -0.65 -2.21 0.00 0.00 174.62 174.19 3kdd h PRO 81 N 4.17 0.00 -3.49 7.08 0.11 -1.98 -3.43 132.00 134.46 3kdd h PRO 81 Ca -0.46 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.45 3kdd h PRO 81 Cb 1.21 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.05 3kdd h PRO 81 CO 0.68 0.13 -0.59 0.08 -0.21 0.00 0.00 178.00 178.09 3kdd s VAL 82 N -4.15 0.00 0.07 3.15 1.01 -1.26 -5.09 120.40 114.13 3kdd s VAL 82 Ca -0.03 -0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.61 3kdd s VAL 82 Cb 0.13 -0.17 -0.07 0.00 0.00 0.00 0.00 36.38 36.28 3kdd s VAL 82 CO 0.59 -0.02 1.35 0.20 0.00 0.00 0.00 175.10 177.22 3kdd s ASN 83 N -0.02 6.88 -0.07 3.32 0.01 -1.26 -4.80 114.94 119.01 3kdd s ASN 83 Ca -0.01 2.20 0.05 0.00 -0.71 0.00 0.00 52.86 54.39 3kdd s ASN 83 Cb -0.01 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.07 3kdd s ASN 83 CO 0.00 -0.63 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.10 3kdd s ILE 84 N 1.44 1.89 -0.35 0.60 1.09 0.07 -0.27 121.20 125.67 3kdd s ILE 84 Ca 0.63 -0.95 -0.13 0.00 -1.10 0.00 0.00 60.65 59.10 3kdd s ILE 84 Cb -0.34 -1.62 -0.00 0.00 -1.06 0.00 0.00 42.46 39.43 3kdd s ILE 84 CO 0.29 0.53 0.24 -0.63 -0.10 0.00 0.00 174.94 175.27 3kdd s ILE 85 N 0.10 5.13 0.67 2.92 -1.09 0.17 -2.01 121.20 127.10 3kdd s ILE 85 Ca -0.10 -0.39 0.03 0.00 -2.23 0.00 0.00 60.65 57.97 3kdd s ILE 85 Cb -0.15 -3.70 0.13 0.00 -1.58 0.00 0.00 42.46 37.16 3kdd s ILE 85 CO 0.05 -0.08 0.93 0.61 -1.23 0.00 0.00 174.94 175.22 3kdd n GLY 86 N 5.09 1.10 0.37 6.18 0.00 -1.19 -1.30 105.19 115.44 3kdd n GLY 86 Ca -0.12 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 43.91 3kdd n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kdd h ARG 87 N 0.00 0.57 -0.25 1.61 3.08 -0.79 -1.13 114.38 117.48 3kdd h ARG 87 Ca -0.31 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 59.78 3kdd h ARG 87 Cb 1.23 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 3kdd h ARG 87 CO 0.36 0.38 0.19 -2.95 -1.07 0.00 0.00 179.97 176.88 3kdd h ASN 88 N 0.59 0.00 0.00 7.04 -1.07 -1.72 -1.97 115.58 118.45 3kdd h ASN 88 Ca 0.36 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 56.39 3kdd h ASN 88 Cb 0.60 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.79 3kdd h ASN 88 CO -0.13 0.00 -2.28 0.18 0.07 0.00 0.00 177.43 175.26 3kdd n LEU 89 N -4.36 0.00 -0.30 6.14 4.77 -0.76 -4.47 117.00 118.01 3kdd n LEU 89 Ca 0.03 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.02 3kdd n LEU 89 Cb 0.34 0.46 0.14 0.00 -2.33 0.00 0.00 43.42 42.03 3kdd n LEU 89 CO 0.34 0.46 1.18 -0.07 -1.33 0.00 0.00 177.39 177.97 3kdd h LEU 90 N 0.00 0.80 -0.93 2.23 3.38 -0.88 -2.40 115.31 117.51 3kdd h LEU 90 Ca -0.51 0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.56 3kdd h LEU 90 Cb 2.15 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 42.69 3kdd h LEU 90 CO 0.03 0.51 0.59 0.71 0.09 0.00 0.00 178.44 180.36 3kdd h THR 91 N 0.94 1.03 0.00 0.22 1.35 -1.60 -0.78 112.91 114.07 3kdd h THR 91 Ca 0.37 -0.36 -0.08 0.00 -0.55 0.00 0.00 66.41 65.79 3kdd h THR 91 Cb 0.19 -0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 66.49 3kdd h THR 91 CO -0.18 0.19 -0.38 1.56 -0.25 0.00 0.00 175.52 176.46 3kdd h GLN 92 N 1.04 0.00 -0.04 4.72 1.08 -1.65 -0.81 115.11 119.45 3kdd h GLN 92 Ca 0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.62 3kdd h GLN 92 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3kdd h GLN 92 CO -0.19 0.38 0.00 0.44 -0.95 0.00 0.00 178.83 178.51 3kdd n ILE 93 N -3.93 0.03 -1.99 2.54 -5.35 -1.11 -4.93 119.36 104.62 3kdd n ILE 93 Ca -0.02 -0.31 -0.03 0.00 -0.27 0.00 0.00 62.75 62.12 3kdd n ILE 93 Cb 0.44 0.67 -0.00 0.00 -1.74 0.00 0.00 39.64 39.00 3kdd n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kdd n GLY 94 N 1.21 0.28 3.70 3.28 0.00 -0.31 -5.01 105.19 108.35 3kdd n GLY 94 Ca 0.18 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 3kdd n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdd s THR 96 N 1.37 1.23 -0.06 0.00 -4.23 -1.26 -4.59 115.64 108.09 3kdd s THR 96 Ca 0.53 -2.05 -0.16 0.00 -1.18 0.00 0.00 61.69 58.83 3kdd s THR 96 Cb -0.23 -1.84 -0.05 0.00 1.34 0.00 0.00 72.50 71.72 3kdd s THR 96 CO 0.26 -0.71 0.42 -0.76 -0.54 0.00 0.00 174.62 173.28 3kdd s LEU 97 N -3.13 4.37 -0.02 4.79 1.43 -1.26 -5.09 118.68 119.77 3kdd s LEU 97 Ca 0.17 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 3kdd s LEU 97 Cb 0.02 -2.59 0.02 0.00 0.03 0.00 0.00 46.19 43.67 3kdd s LEU 97 CO 0.01 0.18 0.01 0.20 0.23 0.00 0.00 176.35 176.98 3kdd s ASN 98 N -0.25 0.27 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.82 3kdd s ASN 98 Ca 0.23 -0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.52 3kdd s ASN 98 Cb -0.16 -0.14 0.00 0.00 -0.02 0.00 0.00 41.25 40.93 3kdd s ASN 98 CO 0.11 -0.09 0.00 2.22 -2.57 0.00 0.00 177.10 176.77