#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nmw s GLN 2 N 0.00 3.13 -0.18 -0.52 0.74 -1.26 -5.13 119.66 116.45 2nmw s GLN 2 Ca 0.00 -0.83 0.00 0.00 0.05 0.00 0.00 55.36 54.58 2nmw s GLN 2 Cb 0.00 -2.38 0.01 0.00 1.10 0.00 0.00 33.01 31.74 2nmw s GLN 2 CO 0.00 0.19 -0.16 0.42 -0.55 0.00 0.00 175.29 175.18 2nmw s ILE 3 N 0.35 2.42 0.81 -2.34 1.01 -1.26 -5.13 121.20 117.05 2nmw s ILE 3 Ca -0.17 -0.83 -0.12 0.00 0.00 0.00 0.00 60.65 59.53 2nmw s ILE 3 Cb -0.17 -2.03 0.08 0.00 0.01 0.00 0.00 42.46 40.34 2nmw s ILE 3 CO 0.08 0.51 1.15 0.42 0.00 0.00 0.00 174.94 177.10 2nmw s THR 4 N 1.17 2.41 -0.15 2.92 -4.23 -1.26 -5.03 115.64 111.48 2nmw s THR 4 Ca 0.02 0.13 0.17 0.00 -1.18 0.00 0.00 61.69 60.83 2nmw s THR 4 Cb -0.14 -3.06 0.31 0.00 1.34 0.00 0.00 72.50 70.95 2nmw s THR 4 CO -0.07 -0.17 1.19 0.18 -0.54 0.00 0.00 174.62 175.21 2nmw n LEU 5 N -3.34 2.63 -0.09 4.79 4.77 -1.26 -4.63 117.00 119.87 2nmw n LEU 5 Ca 0.07 -2.96 0.04 0.00 -0.03 0.00 0.00 56.01 53.14 2nmw n LEU 5 Cb 0.59 -0.41 0.37 0.00 -2.33 0.00 0.00 43.42 41.64 2nmw n LEU 5 CO 0.57 0.69 1.19 -0.50 -1.33 0.00 0.00 177.39 178.01 2nmw h TRP 6 N 0.40 0.67 -2.17 -1.77 4.06 -2.07 -3.43 115.95 111.63 2nmw h TRP 6 Ca 0.00 0.02 -0.59 0.00 2.06 0.00 0.00 58.89 60.38 2nmw h TRP 6 Cb 1.04 -0.23 -0.14 0.00 -1.00 0.00 0.00 29.16 28.83 2nmw h TRP 6 CO 0.10 0.41 -0.70 0.15 -3.56 0.00 0.00 178.44 174.83 2nmw s LYS 7 N -5.62 1.71 0.21 0.49 1.02 -1.26 -5.11 119.74 111.18 2nmw s LYS 7 Ca -0.09 -1.85 -0.32 0.00 0.02 0.00 0.00 55.97 53.73 2nmw s LYS 7 Cb 0.18 -1.61 -0.14 0.00 -0.52 0.00 0.00 37.83 35.74 2nmw s LYS 7 CO 0.75 0.18 1.38 0.54 -0.92 0.00 0.00 175.35 177.28 2nmw n ARG 8 N -0.69 1.83 -2.68 1.68 1.74 -1.26 -4.87 116.66 112.41 2nmw n ARG 8 Ca -0.05 0.65 -0.43 0.00 -0.77 0.00 0.00 57.85 57.25 2nmw n ARG 8 Cb 0.62 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 2nmw n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2nmw n PRO 9 N 2.17 3.25 -3.47 5.56 -0.04 -1.26 -4.96 135.00 136.25 2nmw n PRO 9 Ca 0.13 -3.46 -0.38 0.00 -0.04 0.00 0.00 63.50 59.76 2nmw n PRO 9 Cb 0.29 -3.33 -0.06 0.00 -0.04 0.00 0.00 33.50 30.36 2nmw n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2nmw s LEU 10 N 3.22 4.39 0.15 1.53 1.43 -1.26 -1.58 118.68 126.57 2nmw s LEU 10 Ca 0.50 0.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.46 2nmw s LEU 10 Cb 0.02 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2nmw s LEU 10 CO 0.05 0.22 -0.01 0.68 0.23 0.00 0.00 176.35 177.52 2nmw s VAL 11 N -0.45 0.61 0.09 -1.59 -7.23 -0.28 -4.94 120.40 106.61 2nmw s VAL 11 Ca 0.23 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 58.15 2nmw s VAL 11 Cb -0.16 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 2nmw s VAL 11 CO 0.11 -0.56 0.92 -0.89 -0.31 0.00 0.00 175.10 174.37 2nmw s THR 12 N -3.70 4.58 0.24 5.32 2.01 -1.26 -1.01 115.64 121.83 2nmw s THR 12 Ca 0.21 1.98 0.11 0.00 0.31 0.00 0.00 61.69 64.30 2nmw s THR 12 Cb 0.06 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 2nmw s THR 12 CO 0.02 0.31 -0.19 0.27 -0.69 0.00 0.00 174.62 174.34 2nmw s ILE 13 N 0.07 2.25 -0.13 1.82 -4.36 0.12 -1.46 121.20 119.52 2nmw s ILE 13 Ca 0.46 -2.28 0.02 0.00 -0.26 0.00 0.00 60.65 58.58 2nmw s ILE 13 Cb -0.22 -2.19 0.01 0.00 1.25 0.00 0.00 42.46 41.31 2nmw s ILE 13 CO 0.28 -0.40 -0.18 -0.75 0.24 0.00 0.00 174.94 174.13 2nmw s LYS 14 N -3.39 2.58 -0.10 0.37 2.20 -0.36 -1.70 119.74 119.34 2nmw s LYS 14 Ca 0.26 -0.69 -0.07 0.00 -0.36 0.00 0.00 55.97 55.12 2nmw s LYS 14 Cb -0.04 -2.17 0.04 0.00 -1.51 0.00 0.00 37.83 34.14 2nmw s LYS 14 CO 0.12 -0.09 0.26 -1.50 -0.36 0.00 0.00 175.35 173.78 2nmw s ILE 15 N 1.04 -0.02 -1.53 5.43 2.07 -0.55 -1.69 121.20 125.94 2nmw s ILE 15 Ca -0.04 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.29 2nmw s ILE 15 Cb -0.15 -0.38 0.00 0.00 0.13 0.00 0.00 42.46 42.06 2nmw s ILE 15 CO -0.04 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 2nmw n GLY 16 N 3.71 -0.15 1.82 1.50 0.00 -1.26 -1.52 105.19 109.29 2nmw n GLY 16 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2nmw n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nmw n GLY 17 N -0.83 0.56 3.22 -0.02 0.00 -1.26 -5.06 105.19 101.80 2nmw n GLY 17 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 2nmw n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nmw s GLN 18 N -0.10 1.57 0.02 1.61 -0.21 -0.57 -5.14 119.66 116.84 2nmw s GLN 18 Ca 0.00 -0.76 -0.22 0.00 0.02 0.00 0.00 55.36 54.40 2nmw s GLN 18 Cb 0.00 -1.55 -0.06 0.00 1.00 0.00 0.00 33.01 32.40 2nmw s GLN 18 CO 0.00 0.42 0.64 -0.51 -2.12 0.00 0.00 175.29 173.72 2nmw s LEU 19 N -0.62 4.44 0.09 2.90 1.43 -1.26 -1.48 118.68 124.18 2nmw s LEU 19 Ca 0.08 1.26 -0.01 0.00 -1.03 0.00 0.00 54.13 54.43 2nmw s LEU 19 Cb -0.08 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 2nmw s LEU 19 CO -0.00 0.10 0.02 -0.54 0.23 0.00 0.00 176.35 176.16 2nmw s LYS 20 N -0.29 0.75 -0.10 1.70 1.02 -0.69 -5.00 119.74 117.13 2nmw s LYS 20 Ca 0.33 -1.30 -0.11 0.00 0.02 0.00 0.00 55.97 54.91 2nmw s LYS 20 Cb -0.19 0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 37.30 2nmw s LYS 20 CO 0.19 -0.18 0.25 -2.00 -0.92 0.00 0.00 175.35 172.69 2nmw s GLU 21 N -3.97 3.81 0.04 1.68 2.12 -1.26 -0.70 118.70 120.41 2nmw s GLU 21 Ca 0.14 0.07 -0.05 0.00 0.36 0.00 0.00 54.97 55.49 2nmw s GLU 21 Cb 0.08 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.19 2nmw s GLU 21 CO -0.05 0.60 0.08 0.00 -0.54 0.00 0.00 175.26 175.35 2nmw s ALA 22 N -0.62 -0.01 -0.21 6.30 0.00 -0.18 -4.44 121.76 122.61 2nmw s ALA 22 Ca 0.17 -0.61 -0.17 0.00 0.00 0.00 0.00 51.96 51.35 2nmw s ALA 22 Cb -0.13 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 2nmw s ALA 22 CO 0.06 -0.31 0.46 -1.17 0.00 0.00 0.00 175.76 174.80 2nmw s LEU 23 N -2.14 4.14 -0.48 0.00 2.96 0.08 -1.13 118.68 122.12 2nmw s LEU 23 Ca -0.05 0.59 -0.29 0.00 -0.22 0.00 0.00 54.13 54.16 2nmw s LEU 23 Cb -0.01 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 44.09 2nmw s LEU 23 CO -0.05 -0.14 1.25 -0.76 -1.32 0.00 0.00 176.35 175.33 2nmw s LEU 24 N 1.55 3.57 -0.44 -0.68 1.43 -0.61 -1.03 118.68 122.47 2nmw s LEU 24 Ca 0.21 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.84 2nmw s LEU 24 Cb -0.15 -3.44 0.12 0.00 0.03 0.00 0.00 46.19 42.74 2nmw s LEU 24 CO 0.09 -1.39 0.17 -0.62 0.23 0.00 0.00 176.35 174.84 2nmw s ASP 25 N 3.15 4.39 0.56 2.29 -1.08 -0.54 -4.81 116.67 120.64 2nmw s ASP 25 Ca 0.51 -2.60 0.34 0.00 -0.52 0.00 0.00 52.55 50.29 2nmw s ASP 25 Cb -0.09 -1.53 1.58 0.00 -1.46 0.00 0.00 42.92 41.42 2nmw s ASP 25 CO 0.31 -0.30 2.08 0.71 0.52 0.00 0.00 175.17 178.48 2nmw h THR 26 N 5.92 0.19 -0.00 1.71 1.35 -1.94 -2.69 112.91 117.44 2nmw h THR 26 Ca -0.06 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 2nmw h THR 26 Cb 0.95 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 2nmw h THR 26 CO 0.60 0.05 -0.05 0.61 -0.25 0.00 0.00 175.52 176.47 2nmw n GLY 27 N -0.36 -0.79 3.67 5.82 0.00 -1.26 -4.85 105.19 107.41 2nmw n GLY 27 Ca -0.01 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 2nmw n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nmw s ALA 28 N -2.25 3.58 0.25 4.61 0.00 -1.01 -4.99 121.76 121.94 2nmw s ALA 28 Ca 0.36 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2nmw s ALA 28 Cb 0.21 -2.21 0.30 0.00 0.00 0.00 0.00 23.12 21.42 2nmw s ALA 28 CO 0.42 -0.06 1.65 -0.44 0.00 0.00 0.00 175.76 177.33 2nmw h ASP 29 N 7.20 0.55 -1.98 0.00 3.32 -1.89 -1.09 116.42 122.53 2nmw h ASP 29 Ca -0.39 -0.22 -0.60 0.00 0.02 0.00 0.00 57.03 55.85 2nmw h ASP 29 Cb 1.16 -0.15 -0.12 0.00 0.22 0.00 0.00 39.33 40.44 2nmw h ASP 29 CO 0.69 0.84 -0.66 -1.81 -1.72 0.00 0.00 179.24 176.58 2nmw s ASP 30 N -6.83 3.97 -0.23 6.45 1.01 -1.26 -3.38 116.67 116.40 2nmw s ASP 30 Ca -0.07 -1.05 -0.09 0.00 0.71 0.00 0.00 52.55 52.06 2nmw s ASP 30 Cb 0.13 -0.46 -0.04 0.00 1.01 0.00 0.00 42.92 43.56 2nmw s ASP 30 CO 0.81 -0.17 0.10 -0.89 0.21 0.00 0.00 175.17 175.23 2nmw s THR 31 N -2.54 4.84 -0.16 -1.27 2.01 -1.26 -3.28 115.64 113.99 2nmw s THR 31 Ca 0.33 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.33 2nmw s THR 31 Cb -0.00 -3.24 0.03 0.00 0.01 0.00 0.00 72.50 69.30 2nmw s THR 31 CO 0.18 0.37 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.67 2nmw s VAL 32 N 1.08 1.46 -0.04 3.82 1.01 -0.64 -1.28 120.40 125.81 2nmw s VAL 32 Ca 0.05 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.41 2nmw s VAL 32 Cb -0.14 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2nmw s VAL 32 CO 0.04 0.35 -0.14 -0.63 0.00 0.00 0.00 175.10 174.71 2nmw s ILE 33 N 1.51 3.05 0.58 2.22 -1.09 -0.05 -1.00 121.20 126.42 2nmw s ILE 33 Ca 0.03 -0.77 -0.19 0.00 -2.23 0.00 0.00 60.65 57.49 2nmw s ILE 33 Cb -0.14 -2.20 -0.05 0.00 -1.58 0.00 0.00 42.46 38.49 2nmw s ILE 33 CO -0.09 0.57 1.00 -0.62 -1.23 0.00 0.00 174.94 174.56 2nmw n GLU 34 N 2.23 1.01 -1.67 2.79 1.02 -1.26 -2.15 120.64 122.61 2nmw n GLU 34 Ca -0.17 0.39 -0.64 0.00 -0.02 0.00 0.00 57.16 56.72 2nmw n GLU 34 Cb 0.52 -2.19 -0.09 0.00 -0.02 0.00 0.00 31.44 29.66 2nmw n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2nmw n GLU 35 N -0.89 0.16 -3.60 3.49 4.07 -1.02 -4.68 120.64 118.17 2nmw n GLU 35 Ca 0.13 0.06 -0.15 0.00 -0.06 0.00 0.00 57.16 57.14 2nmw n GLU 35 Cb 0.46 -1.58 -0.06 0.00 -0.06 0.00 0.00 31.44 30.19 2nmw n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nmw s MET 36 N 2.13 0.96 -1.39 5.31 0.23 -1.26 -5.03 119.30 120.24 2nmw s MET 36 Ca 1.00 -0.08 -0.07 0.00 -1.03 0.00 0.00 55.69 55.50 2nmw s MET 36 Cb -1.37 0.44 0.07 0.00 -1.53 0.00 0.00 34.83 32.44 2nmw s MET 36 CO 0.72 -0.32 2.44 0.43 -2.03 0.00 0.00 175.02 176.26 2nmw n SER 37 N 0.75 7.59 -4.76 -1.18 7.64 -1.26 -4.99 113.62 117.41 2nmw n SER 37 Ca -0.19 -2.99 -0.41 0.00 1.01 0.00 0.00 58.87 56.29 2nmw n SER 37 Cb 0.58 -1.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.32 2nmw n SER 37 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2nmw s LEU 38 N -1.11 4.42 0.59 -3.43 2.96 -1.26 -5.02 118.68 115.83 2nmw s LEU 38 Ca 0.55 2.66 -0.13 0.00 -0.22 0.00 0.00 54.13 56.99 2nmw s LEU 38 Cb 0.17 -3.64 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 2nmw s LEU 38 CO -0.07 -0.56 1.02 -2.16 -1.32 0.00 0.00 176.35 173.26 2nmw s PRO 39 N -1.38 3.62 0.29 0.98 0.04 -1.26 -4.99 135.00 132.30 2nmw s PRO 39 Ca 0.51 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2nmw s PRO 39 Cb -0.40 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.06 2nmw s PRO 39 CO 0.50 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.40 2nmw n GLY 40 N -2.22 -2.23 3.80 0.56 0.00 -1.26 -5.00 105.19 98.84 2nmw n GLY 40 Ca 0.06 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 2nmw n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nmw s ARG 41 N -0.22 3.85 0.12 1.61 0.52 -1.26 -5.07 118.95 118.50 2nmw s ARG 41 Ca 0.00 1.37 -0.10 0.00 -0.52 0.00 0.00 55.73 56.48 2nmw s ARG 41 Cb 0.00 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 33.33 2nmw s ARG 41 CO 0.00 -0.39 0.26 1.67 0.02 0.00 0.00 175.30 176.86 2nmw s TRP 42 N -1.95 0.19 -0.02 -0.53 1.48 -1.26 -4.71 118.94 112.14 2nmw s TRP 42 Ca 0.66 -0.58 0.06 0.00 -1.06 0.00 0.00 56.10 55.18 2nmw s TRP 42 Cb -0.17 -0.01 -0.02 0.00 -1.16 0.00 0.00 33.47 32.12 2nmw s TRP 42 CO 0.20 -0.64 -0.21 0.21 -4.06 0.00 0.00 176.95 172.46 2nmw s LYS 43 N -3.89 1.73 0.40 3.25 2.20 -0.67 -4.93 119.74 117.83 2nmw s LYS 43 Ca 0.09 -0.75 -0.26 0.00 -0.36 0.00 0.00 55.97 54.69 2nmw s LYS 43 Cb 0.04 -1.66 -0.09 0.00 -1.51 0.00 0.00 37.83 34.61 2nmw s LYS 43 CO -0.07 0.44 1.33 -2.14 -0.36 0.00 0.00 175.35 174.56 2nmw s PRO 44 N -0.46 4.00 0.02 4.03 0.02 -1.26 -1.11 135.00 140.24 2nmw s PRO 44 Ca 0.07 2.23 -0.12 0.00 0.02 0.00 0.00 61.00 63.21 2nmw s PRO 44 Cb -0.08 -2.81 0.01 0.00 0.02 0.00 0.00 34.50 31.64 2nmw s PRO 44 CO -0.01 -0.49 0.24 0.21 -0.33 0.00 0.00 177.00 176.62 2nmw s LYS 45 N -2.19 0.67 -0.09 5.54 2.20 -0.91 -4.88 119.74 120.07 2nmw s LYS 45 Ca 0.56 -0.43 0.04 0.00 -0.36 0.00 0.00 55.97 55.78 2nmw s LYS 45 Cb -0.40 0.29 -0.00 0.00 -1.51 0.00 0.00 37.83 36.20 2nmw s LYS 45 CO 0.52 -0.19 -0.24 -1.64 -0.36 0.00 0.00 175.35 173.44 2nmw s MET 46 N -1.96 2.92 0.07 4.03 -1.94 -1.26 -1.44 119.30 119.70 2nmw s MET 46 Ca -0.09 -0.87 0.08 0.00 -1.71 0.00 0.00 55.69 53.09 2nmw s MET 46 Cb -0.04 -2.28 -0.03 0.00 2.01 0.00 0.00 34.83 34.50 2nmw s MET 46 CO -0.00 0.25 -0.21 0.96 -0.01 0.00 0.00 175.02 176.01 2nmw s ILE 47 N 0.18 1.69 0.17 2.53 -4.36 -0.85 -4.97 121.20 115.58 2nmw s ILE 47 Ca -0.14 -1.33 0.09 0.00 -0.26 0.00 0.00 60.65 59.01 2nmw s ILE 47 Cb -0.17 -1.49 -0.04 0.00 1.25 0.00 0.00 42.46 42.01 2nmw s ILE 47 CO 0.07 0.10 -0.14 -0.83 0.24 0.00 0.00 174.94 174.39 2nmw s GLY 48 N -1.46 1.72 0.00 6.27 0.00 -1.26 -1.45 107.32 111.15 2nmw s GLY 48 Ca 0.07 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.31 2nmw s GLY 48 CO 0.03 -1.49 0.00 0.61 0.00 0.00 0.00 173.10 172.25 2nmw n GLY 49 N 0.22 3.64 0.38 0.20 0.00 -0.47 -5.00 105.19 104.16 2nmw n GLY 49 Ca -0.12 -1.17 0.16 0.00 0.00 0.00 0.00 46.02 44.89 2nmw n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2nmw h ILE 50 N 0.38 0.75 -0.42 -0.61 6.09 -2.04 -3.01 117.51 118.65 2nmw h ILE 50 Ca 0.00 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 2nmw h ILE 50 Cb 0.00 0.17 0.00 0.00 0.47 0.00 0.00 36.82 37.46 2nmw h ILE 50 CO 0.00 0.10 0.00 0.61 -3.07 0.00 0.00 178.15 175.79 2nmw n GLY 51 N -1.47 2.68 0.00 8.18 0.00 -1.26 -5.10 105.19 108.23 2nmw n GLY 51 Ca 0.18 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2nmw n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nmw n GLY 52 N 0.74 0.59 3.61 -0.02 0.00 -1.14 -5.12 105.19 103.85 2nmw n GLY 52 Ca 0.14 -1.91 -0.27 0.00 0.00 0.00 0.00 46.02 43.99 2nmw n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nmw s PHE 53 N -1.88 2.73 0.12 1.61 0.40 -1.26 -1.37 117.98 118.32 2nmw s PHE 53 Ca 0.00 -0.18 0.06 0.00 -0.60 0.00 0.00 56.93 56.20 2nmw s PHE 53 Cb 0.00 -1.33 -0.04 0.00 0.51 0.00 0.00 43.02 42.16 2nmw s PHE 53 CO 0.00 0.51 -0.14 0.96 0.70 0.00 0.00 175.22 177.26 2nmw s ILE 54 N -1.71 1.30 -0.02 0.64 -4.36 -0.53 -4.98 121.20 111.54 2nmw s ILE 54 Ca 0.26 -1.73 -0.23 0.00 -0.26 0.00 0.00 60.65 58.69 2nmw s ILE 54 Cb -0.09 -1.54 -0.05 0.00 1.25 0.00 0.00 42.46 42.04 2nmw s ILE 54 CO 0.17 -0.44 0.68 -0.54 0.24 0.00 0.00 174.94 175.05 2nmw s LYS 55 N -2.73 4.42 0.12 0.37 1.02 -1.26 -2.00 119.74 119.68 2nmw s LYS 55 Ca 0.09 0.87 0.02 0.00 0.02 0.00 0.00 55.97 56.97 2nmw s LYS 55 Cb -0.04 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2nmw s LYS 55 CO 0.03 0.20 -0.04 0.14 -0.92 0.00 0.00 175.35 174.76 2nmw s VAL 56 N 0.31 0.65 -0.25 3.17 -7.23 -0.52 -4.55 120.40 111.98 2nmw s VAL 56 Ca 0.36 -1.95 -0.11 0.00 -1.81 0.00 0.00 61.98 58.46 2nmw s VAL 56 Cb -0.18 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 2nmw s VAL 56 CO 0.19 -0.73 0.21 -0.13 -0.31 0.00 0.00 175.10 174.33 2nmw s ARG 57 N -3.87 4.05 -0.30 4.82 0.52 -0.17 -2.15 118.95 121.84 2nmw s ARG 57 Ca 0.16 -0.21 -0.17 0.00 -0.52 0.00 0.00 55.73 54.99 2nmw s ARG 57 Cb 0.06 -3.57 -0.02 0.00 0.52 0.00 0.00 34.95 31.94 2nmw s ARG 57 CO -0.02 -0.02 0.49 -1.14 0.02 0.00 0.00 175.30 174.63 2nmw s GLN 58 N 1.30 3.88 -0.16 3.54 0.74 -0.27 -1.09 119.66 127.61 2nmw s GLN 58 Ca 0.09 0.08 -0.03 0.00 0.05 0.00 0.00 55.36 55.56 2nmw s GLN 58 Cb -0.14 -3.72 -0.02 0.00 1.10 0.00 0.00 33.01 30.23 2nmw s GLN 58 CO 0.07 -0.46 -0.07 0.71 -0.55 0.00 0.00 175.29 174.99 2nmw s TYR 59 N 2.31 2.95 0.16 1.67 1.51 -0.58 -1.68 117.35 123.69 2nmw s TYR 59 Ca 0.19 -0.51 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 2nmw s TYR 59 Cb -0.16 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.71 2nmw s TYR 59 CO 0.11 -0.17 0.28 -0.51 -1.11 0.00 0.00 175.55 174.15 2nmw s ASP 60 N 0.55 6.28 -1.39 2.29 -0.00 -1.26 -1.42 116.67 121.71 2nmw s ASP 60 Ca -0.05 0.14 -0.06 0.00 -0.00 0.00 0.00 52.55 52.58 2nmw s ASP 60 Cb -0.15 -1.87 0.03 0.00 -0.00 0.00 0.00 42.92 40.93 2nmw s ASP 60 CO 0.03 0.04 0.86 0.00 -0.00 0.00 0.00 175.17 176.10 2nmw n GLN 61 N -0.62 -5.45 -3.27 8.23 1.13 -1.17 -4.93 117.38 111.30 2nmw n GLN 61 Ca -0.07 0.64 -0.38 0.00 -1.94 0.00 0.00 57.00 55.24 2nmw n GLN 61 Cb 0.54 -5.38 -0.06 0.00 0.11 0.00 0.00 30.24 25.46 2nmw n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2nmw s ILE 62 N -3.49 5.10 -0.04 5.09 -1.09 -0.44 -4.78 121.20 121.54 2nmw s ILE 62 Ca 0.30 1.07 -0.30 0.00 -2.23 0.00 0.00 60.65 59.49 2nmw s ILE 62 Cb -0.15 -3.86 -0.02 0.00 -1.58 0.00 0.00 42.46 36.85 2nmw s ILE 62 CO 0.81 0.35 1.01 -0.63 -1.23 0.00 0.00 174.94 175.25 2nmw s ILE 63 N 0.37 4.79 -0.02 2.92 -1.09 -1.26 -1.82 121.20 125.09 2nmw s ILE 63 Ca 0.28 2.02 -0.00 0.00 -2.23 0.00 0.00 60.65 60.72 2nmw s ILE 63 Cb -0.16 -4.30 0.02 0.00 -1.58 0.00 0.00 42.46 36.45 2nmw s ILE 63 CO 0.13 0.09 0.03 -0.51 -1.23 0.00 0.00 174.94 173.45 2nmw s ILE 64 N 1.45 -0.04 -0.23 2.92 2.07 -0.76 -4.48 121.20 122.14 2nmw s ILE 64 Ca 0.51 0.16 -0.10 0.00 -1.41 0.00 0.00 60.65 59.81 2nmw s ILE 64 Cb -0.20 -0.07 -0.05 0.00 0.13 0.00 0.00 42.46 42.27 2nmw s ILE 64 CO 0.24 0.07 0.14 -0.70 -1.91 0.00 0.00 174.94 172.77 2nmw s GLU 65 N 0.80 4.05 -0.28 3.50 2.12 -0.68 -1.32 118.70 126.89 2nmw s GLU 65 Ca -0.07 -0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.00 2nmw s GLU 65 Cb -0.10 -3.46 0.06 0.00 0.26 0.00 0.00 34.13 30.90 2nmw s GLU 65 CO -0.02 0.12 -0.06 0.42 -0.54 0.00 0.00 175.26 175.17 2nmw s ILE 66 N 0.88 2.40 -1.58 -3.70 1.01 0.27 -1.22 121.20 119.26 2nmw s ILE 66 Ca 0.07 -1.67 -0.14 0.00 0.00 0.00 0.00 60.65 58.91 2nmw s ILE 66 Cb -0.13 -2.45 0.10 0.00 0.01 0.00 0.00 42.46 39.99 2nmw s ILE 66 CO 0.03 -0.13 0.81 0.00 0.00 0.00 0.00 174.94 175.65 2nmw n ALA 67 N 4.46 -1.40 -0.22 9.38 0.00 -0.53 -0.99 120.51 131.21 2nmw n ALA 67 Ca -0.12 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2nmw n ALA 67 Cb 0.42 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.32 2nmw n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nmw n GLY 68 N -1.59 1.51 3.53 0.00 0.00 -1.26 -5.04 105.19 102.33 2nmw n GLY 68 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2nmw n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nmw s HIS 69 N -2.84 3.14 0.33 1.61 4.02 -0.16 -5.10 115.29 116.29 2nmw s HIS 69 Ca 0.00 -0.20 -0.27 0.00 1.02 0.00 0.00 55.06 55.61 2nmw s HIS 69 Cb 0.00 -2.17 -0.09 0.00 -1.02 0.00 0.00 32.58 29.30 2nmw s HIS 69 CO 0.00 -0.14 1.07 0.15 1.02 0.00 0.00 174.74 176.84 2nmw s LYS 70 N 1.07 4.46 0.11 1.40 1.02 -1.26 -0.56 119.74 125.98 2nmw s LYS 70 Ca 0.04 1.67 -0.11 0.00 0.02 0.00 0.00 55.97 57.59 2nmw s LYS 70 Cb -0.14 -2.93 0.01 0.00 -0.52 0.00 0.00 37.83 34.24 2nmw s LYS 70 CO 0.03 0.09 0.26 0.00 -0.92 0.00 0.00 175.35 174.81 2nmw s ALA 71 N -1.36 -0.42 -0.11 5.17 0.00 -0.43 -4.82 121.76 119.79 2nmw s ALA 71 Ca 0.50 -0.47 -0.06 0.00 0.00 0.00 0.00 51.96 51.93 2nmw s ALA 71 Cb -0.28 0.57 0.05 0.00 0.00 0.00 0.00 23.12 23.47 2nmw s ALA 71 CO 0.35 -0.56 0.26 -1.50 0.00 0.00 0.00 175.76 174.31 2nmw s ILE 72 N -3.85 -0.07 -0.76 0.00 2.07 -1.26 -1.83 121.20 115.50 2nmw s ILE 72 Ca 0.05 0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.45 2nmw s ILE 72 Cb 0.04 -0.41 0.00 0.00 0.13 0.00 0.00 42.46 42.22 2nmw s ILE 72 CO -0.10 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.60 2nmw n GLY 73 N 4.33 -0.59 3.72 1.50 0.00 -0.75 -4.90 105.19 108.50 2nmw n GLY 73 Ca -0.24 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 2nmw n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nmw s THR 74 N -3.00 4.75 -0.05 2.61 2.01 -1.26 -1.33 115.64 119.37 2nmw s THR 74 Ca 0.00 1.88 0.03 0.00 0.31 0.00 0.00 61.69 63.92 2nmw s THR 74 Cb 0.00 -4.24 0.00 0.00 0.01 0.00 0.00 72.50 68.28 2nmw s THR 74 CO 0.00 0.27 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.37 2nmw s VAL 75 N 0.43 1.22 -0.20 3.82 1.01 -0.51 -4.53 120.40 121.63 2nmw s VAL 75 Ca 0.45 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.78 2nmw s VAL 75 Cb -0.21 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 2nmw s VAL 75 CO 0.26 0.36 0.11 -0.76 0.00 0.00 0.00 175.10 175.08 2nmw s LEU 76 N 0.33 4.06 -0.13 3.92 1.43 -0.40 -1.52 118.68 126.36 2nmw s LEU 76 Ca -0.09 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 2nmw s LEU 76 Cb -0.13 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 2nmw s LEU 76 CO 0.03 0.16 -0.14 -0.69 0.23 0.00 0.00 176.35 175.94 2nmw s VAL 77 N 0.46 2.89 -0.16 -1.59 1.01 -0.25 -0.87 120.40 121.90 2nmw s VAL 77 Ca 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2nmw s VAL 77 Cb -0.12 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.05 2nmw s VAL 77 CO -0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2nmw n GLY 78 N 3.63 -1.03 3.23 4.51 0.00 -0.91 -1.00 105.19 113.61 2nmw n GLY 78 Ca -0.18 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 2nmw n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nmw n PRO 79 N 0.00 3.07 -4.13 1.61 -0.04 -1.26 -2.44 135.00 131.80 2nmw n PRO 79 Ca 0.00 -3.02 -0.32 0.00 -0.04 0.00 0.00 63.50 60.12 2nmw n PRO 79 Cb 0.00 -3.40 -0.07 0.00 -0.04 0.00 0.00 33.50 29.98 2nmw n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2nmw s THR 80 N 3.74 4.56 -0.72 0.52 -1.32 -1.26 -5.02 115.64 116.15 2nmw s THR 80 Ca 0.51 -0.52 0.26 0.00 -1.21 0.00 0.00 61.69 60.73 2nmw s THR 80 Cb 0.08 -3.10 0.28 0.00 -1.51 0.00 0.00 72.50 68.26 2nmw s THR 80 CO 0.01 0.32 1.78 -0.81 -2.21 0.00 0.00 174.62 173.70 2nmw n PRO 81 N 1.11 0.25 -3.83 7.08 -0.04 -1.26 -4.72 135.00 133.59 2nmw n PRO 81 Ca -0.13 0.23 -0.14 0.00 -0.04 0.00 0.00 63.50 63.42 2nmw n PRO 81 Cb 0.52 -1.80 -0.15 0.00 -0.04 0.00 0.00 33.50 32.03 2nmw n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2nmw s VAL 82 N -3.12 -0.00 0.00 0.52 1.01 -1.26 -5.11 120.40 112.45 2nmw s VAL 82 Ca 0.10 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 2nmw s VAL 82 Cb 0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 36.37 2nmw s VAL 82 CO 0.58 0.07 1.31 0.20 0.00 0.00 0.00 175.10 177.25 2nmw s ASN 83 N 0.69 6.94 -0.12 3.32 0.01 -1.26 -4.76 114.94 119.76 2nmw s ASN 83 Ca -0.06 2.03 0.03 0.00 -0.71 0.00 0.00 52.86 54.15 2nmw s ASN 83 Cb -0.09 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.02 2nmw s ASN 83 CO -0.02 -0.64 -0.21 0.27 -1.51 0.00 0.00 177.10 174.99 2nmw s ILE 84 N 2.03 1.93 -0.44 0.60 -0.00 -0.17 -0.74 121.20 124.42 2nmw s ILE 84 Ca 0.61 -0.92 -0.19 0.00 -0.00 0.00 0.00 60.65 60.15 2nmw s ILE 84 Cb -0.30 -1.70 0.03 0.00 -0.00 0.00 0.00 42.46 40.49 2nmw s ILE 84 CO 0.26 0.53 0.56 -0.63 -0.00 0.00 0.00 174.94 175.65 2nmw s ILE 85 N 0.66 4.94 0.39 8.37 -1.09 -0.20 -1.62 121.20 132.66 2nmw s ILE 85 Ca -0.12 -0.14 0.04 0.00 -2.23 0.00 0.00 60.65 58.20 2nmw s ILE 85 Cb -0.16 -4.15 0.07 0.00 -1.58 0.00 0.00 42.46 36.64 2nmw s ILE 85 CO 0.02 -0.55 0.54 0.61 -1.23 0.00 0.00 174.94 174.34 2nmw n GLY 86 N 5.08 1.47 0.23 6.18 0.00 -1.20 -1.46 105.19 115.49 2nmw n GLY 86 Ca -0.04 -2.12 0.08 0.00 0.00 0.00 0.00 46.02 43.93 2nmw n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2nmw h ARG 87 N 0.00 0.00 -0.60 1.61 3.08 -1.28 -1.56 114.38 115.63 2nmw h ARG 87 Ca -0.18 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.97 2nmw h ARG 87 Cb 0.77 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.78 2nmw h ARG 87 CO 0.23 0.18 0.40 -2.95 -1.07 0.00 0.00 179.97 176.76 2nmw h ASN 88 N 0.00 0.36 0.00 7.04 -1.07 -1.83 -2.60 115.58 117.49 2nmw h ASN 88 Ca -0.00 0.01 -0.34 0.00 0.07 0.00 0.00 56.30 56.04 2nmw h ASN 88 Cb 0.35 -0.07 -0.06 0.00 -2.07 0.00 0.00 38.32 36.47 2nmw h ASN 88 CO 0.02 0.22 -2.28 0.18 0.07 0.00 0.00 177.43 175.64 2nmw n LEU 89 N -4.47 0.09 -0.19 6.14 4.77 -0.89 -4.45 117.00 118.01 2nmw n LEU 89 Ca 0.10 -0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.10 2nmw n LEU 89 Cb 0.38 0.42 0.29 0.00 -2.33 0.00 0.00 43.42 42.18 2nmw n LEU 89 CO 0.34 0.47 1.23 -0.07 -1.33 0.00 0.00 177.39 178.03 2nmw h LEU 90 N 0.00 0.77 -1.20 2.23 3.38 -1.16 -1.78 115.31 117.56 2nmw h LEU 90 Ca -0.51 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 2nmw h LEU 90 Cb 2.14 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.68 2nmw h LEU 90 CO 0.02 0.54 0.08 0.71 0.09 0.00 0.00 178.44 179.89 2nmw h THR 91 N 0.90 1.20 0.00 0.22 1.35 -1.69 -2.51 112.91 112.37 2nmw h THR 91 Ca 0.27 -0.73 -0.06 0.00 -0.55 0.00 0.00 66.41 65.35 2nmw h THR 91 Cb -0.02 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.19 2nmw h THR 91 CO -0.07 0.26 -0.26 1.56 -0.25 0.00 0.00 175.52 176.76 2nmw h GLN 92 N 0.62 0.00 -0.55 4.72 4.20 -1.54 -2.52 115.11 120.05 2nmw h GLN 92 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2nmw h GLN 92 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2nmw h GLN 92 CO 0.00 0.26 0.00 0.44 -0.67 0.00 0.00 178.83 178.86 2nmw n ILE 93 N -3.50 0.73 -1.66 2.54 -5.35 -1.10 -4.97 119.36 106.05 2nmw n ILE 93 Ca -0.00 -0.86 -0.02 0.00 -0.27 0.00 0.00 62.75 61.59 2nmw n ILE 93 Cb 0.42 0.77 -0.00 0.00 -1.74 0.00 0.00 39.64 39.09 2nmw n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nmw n GLY 94 N 1.58 0.39 3.76 3.28 0.00 -0.95 -5.02 105.19 108.23 2nmw n GLY 94 Ca 0.22 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 2nmw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nmw s ALA 95 N -2.11 3.31 0.10 4.61 0.00 -0.97 -5.05 121.76 121.65 2nmw s ALA 95 Ca 0.00 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.63 2nmw s ALA 95 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 2nmw s ALA 95 CO 0.00 0.12 -0.08 0.95 0.00 0.00 0.00 175.76 176.76 2nmw s THR 96 N -1.30 0.77 -0.12 0.00 -4.23 -1.26 -4.77 115.64 104.73 2nmw s THR 96 Ca 0.45 -1.80 -0.11 0.00 -1.18 0.00 0.00 61.69 59.05 2nmw s THR 96 Cb -0.25 -1.52 -0.05 0.00 1.34 0.00 0.00 72.50 72.02 2nmw s THR 96 CO 0.31 -0.75 0.23 -0.22 -0.54 0.00 0.00 174.62 173.65 2nmw s LEU 97 N -2.79 4.35 -0.02 4.79 2.96 -1.26 -5.11 118.68 121.60 2nmw s LEU 97 Ca 0.09 0.54 0.01 0.00 -0.22 0.00 0.00 54.13 54.55 2nmw s LEU 97 Cb 0.02 -2.25 0.01 0.00 0.50 0.00 0.00 46.19 44.47 2nmw s LEU 97 CO -0.03 0.28 -0.04 0.20 -1.32 0.00 0.00 176.35 175.44 2nmw s ASN 98 N -0.48 0.73 0.00 3.68 -0.87 -1.26 -5.31 114.94 111.44 2nmw s ASN 98 Ca 0.16 -0.10 0.00 0.00 -1.57 0.00 0.00 52.86 51.35 2nmw s ASN 98 Cb -0.13 -0.26 0.00 0.00 -0.02 0.00 0.00 41.25 40.84 2nmw s ASN 98 CO 0.05 -0.01 0.00 2.22 -2.57 0.00 0.00 177.10 176.79