#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avv s GLN 2 N 0.00 3.01 -0.31 -0.52 -0.21 -1.26 -5.06 119.66 115.32 2avv s GLN 2 Ca 0.00 -2.11 -0.24 0.00 0.02 0.00 0.00 55.36 53.03 2avv s GLN 2 Cb 0.00 -4.17 0.00 0.00 1.00 0.00 0.00 33.01 29.84 2avv s GLN 2 CO 0.00 -1.26 0.83 0.42 -2.12 0.00 0.00 175.29 173.16 2avv s ILE 3 N 0.79 4.75 0.85 1.08 1.01 -1.26 -5.03 121.20 123.39 2avv s ILE 3 Ca 0.11 1.25 -0.12 0.00 0.00 0.00 0.00 60.65 61.89 2avv s ILE 3 Cb -0.21 -4.19 0.10 0.00 0.01 0.00 0.00 42.46 38.18 2avv s ILE 3 CO -0.03 -0.29 1.17 0.42 0.00 0.00 0.00 174.94 176.21 2avv s THR 4 N 3.06 2.00 -0.11 2.92 -4.23 -1.26 -5.01 115.64 113.01 2avv s THR 4 Ca 0.34 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.99 2avv s THR 4 Cb -0.14 -2.91 0.29 0.00 1.34 0.00 0.00 72.50 71.08 2avv s THR 4 CO 0.13 0.00 1.14 0.18 -0.54 0.00 0.00 174.62 175.53 2avv n LEU 5 N -3.49 1.86 0.16 4.79 4.77 -1.26 -4.55 117.00 119.27 2avv n LEU 5 Ca 0.08 -2.80 0.06 0.00 -0.03 0.00 0.00 56.01 53.32 2avv n LEU 5 Cb 0.60 -0.33 0.54 0.00 -2.33 0.00 0.00 43.42 41.91 2avv n LEU 5 CO 0.57 0.79 1.08 -0.50 -1.33 0.00 0.00 177.39 178.00 2avv h TRP 6 N 0.38 0.20 -2.44 -1.77 4.06 -2.04 -3.44 115.95 110.90 2avv h TRP 6 Ca -0.03 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.39 2avv h TRP 6 Cb 1.18 -0.07 -0.14 0.00 -1.00 0.00 0.00 29.16 29.13 2avv h TRP 6 CO 0.24 0.14 -0.70 0.15 -3.56 0.00 0.00 178.44 174.71 2avv s LYS 7 N -5.18 1.60 0.19 0.49 -0.14 -1.26 -5.10 119.74 110.34 2avv s LYS 7 Ca -0.06 -1.79 -0.33 0.00 -1.36 0.00 0.00 55.97 52.43 2avv s LYS 7 Cb 0.17 -1.39 -0.13 0.00 -1.68 0.00 0.00 37.83 34.80 2avv s LYS 7 CO 0.70 0.14 1.56 0.54 -0.76 0.00 0.00 175.35 177.53 2avv n ARG 8 N -0.61 2.25 -2.45 1.68 1.74 -1.26 -4.86 116.66 113.15 2avv n ARG 8 Ca -0.06 0.81 -0.40 0.00 -0.77 0.00 0.00 57.85 57.44 2avv n ARG 8 Cb 0.62 -2.57 -0.01 0.00 -1.02 0.00 0.00 32.46 29.48 2avv n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2avv n PRO 9 N 3.11 2.83 -3.53 5.56 -0.04 -1.26 -4.95 135.00 136.72 2avv n PRO 9 Ca 0.15 -3.09 -0.37 0.00 -0.04 0.00 0.00 63.50 60.15 2avv n PRO 9 Cb 0.31 -3.55 -0.06 0.00 -0.04 0.00 0.00 33.50 30.15 2avv n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2avv s LEU 10 N 5.77 4.34 0.21 1.53 1.43 -1.26 -1.20 118.68 129.50 2avv s LEU 10 Ca 0.57 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 54.40 2avv s LEU 10 Cb 0.03 -2.46 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 2avv s LEU 10 CO 0.09 0.19 0.00 0.68 0.23 0.00 0.00 176.35 177.55 2avv s VAL 11 N -0.17 0.86 -0.01 -1.59 -7.23 0.09 -4.96 120.40 107.40 2avv s VAL 11 Ca 0.20 -2.01 -0.21 0.00 -1.81 0.00 0.00 61.98 58.15 2avv s VAL 11 Cb -0.14 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 2avv s VAL 11 CO 0.08 -0.37 0.62 -0.89 -0.31 0.00 0.00 175.10 174.24 2avv s THR 12 N -3.53 4.91 0.25 5.32 2.01 -1.26 -0.90 115.64 122.43 2avv s THR 12 Ca 0.27 1.30 0.10 0.00 0.31 0.00 0.00 61.69 63.68 2avv s THR 12 Cb 0.06 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 2avv s THR 12 CO 0.07 0.39 -0.18 0.27 -0.69 0.00 0.00 174.62 174.48 2avv s ILE 13 N -0.04 2.21 -0.12 1.82 -4.36 0.51 -1.07 121.20 120.15 2avv s ILE 13 Ca 0.32 -2.31 0.01 0.00 -0.26 0.00 0.00 60.65 58.41 2avv s ILE 13 Cb -0.18 -2.19 0.02 0.00 1.25 0.00 0.00 42.46 41.35 2avv s ILE 13 CO 0.18 -0.45 -0.14 -0.75 0.24 0.00 0.00 174.94 174.01 2avv s LYS 14 N -3.49 2.20 -0.08 0.37 2.20 -0.08 -0.85 119.74 120.01 2avv s LYS 14 Ca 0.27 -0.54 -0.07 0.00 -0.36 0.00 0.00 55.97 55.26 2avv s LYS 14 Cb -0.04 -1.93 0.02 0.00 -1.51 0.00 0.00 37.83 34.37 2avv s LYS 14 CO 0.12 -0.13 0.22 -1.50 -0.36 0.00 0.00 175.35 173.70 2avv s ILE 15 N 1.19 -0.00 -1.87 5.43 2.07 -0.06 -1.65 121.20 126.30 2avv s ILE 15 Ca -0.02 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.22 2avv s ILE 15 Cb -0.14 -0.31 0.00 0.00 0.13 0.00 0.00 42.46 42.14 2avv s ILE 15 CO -0.05 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.59 2avv n GLY 16 N 2.98 1.52 2.46 1.50 0.00 -1.26 -1.39 105.19 111.00 2avv n GLY 16 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2avv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avv n GLY 17 N -0.38 0.76 3.65 -0.02 0.00 -1.26 -5.04 105.19 102.90 2avv n GLY 17 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 2avv n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2avv s GLN 18 N -0.03 2.82 0.01 1.61 0.74 -0.48 -5.09 119.66 119.24 2avv s GLN 18 Ca 0.00 -0.54 -0.22 0.00 0.05 0.00 0.00 55.36 54.65 2avv s GLN 18 Cb 0.00 -2.68 -0.05 0.00 1.10 0.00 0.00 33.01 31.38 2avv s GLN 18 CO 0.00 0.66 0.66 -0.51 -0.55 0.00 0.00 175.29 175.54 2avv s LEU 19 N -1.16 4.42 0.18 3.68 1.43 -1.26 -0.88 118.68 125.08 2avv s LEU 19 Ca 0.16 1.25 -0.06 0.00 -1.03 0.00 0.00 54.13 54.45 2avv s LEU 19 Cb -0.11 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 2avv s LEU 19 CO 0.05 0.06 0.23 -0.54 0.23 0.00 0.00 176.35 176.38 2avv s LYS 20 N -0.06 1.18 -0.06 1.70 1.02 -0.03 -4.99 119.74 118.50 2avv s LYS 20 Ca 0.34 -1.35 -0.04 0.00 0.02 0.00 0.00 55.97 54.94 2avv s LYS 20 Cb -0.19 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.42 2avv s LYS 20 CO 0.19 -0.41 0.13 -1.21 -0.92 0.00 0.00 175.35 173.13 2avv s GLU 21 N -4.04 3.33 0.08 1.68 2.02 -1.26 -0.37 118.70 120.15 2avv s GLU 21 Ca 0.25 -0.28 -0.13 0.00 0.02 0.00 0.00 54.97 54.82 2avv s GLU 21 Cb 0.04 -3.07 0.02 0.00 0.10 0.00 0.00 34.13 31.23 2avv s GLU 21 CO 0.05 0.72 0.31 0.00 0.02 0.00 0.00 175.26 176.35 2avv s ALA 22 N -1.14 -0.67 -0.22 5.21 0.00 -0.08 -4.50 121.76 120.36 2avv s ALA 22 Ca 0.20 -0.14 -0.13 0.00 0.00 0.00 0.00 51.96 51.89 2avv s ALA 22 Cb -0.12 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.42 2avv s ALA 22 CO 0.10 -0.51 0.26 -1.17 0.00 0.00 0.00 175.76 174.45 2avv s LEU 23 N -2.47 4.14 -0.37 0.00 2.96 0.34 -0.73 118.68 122.56 2avv s LEU 23 Ca -0.00 0.30 -0.29 0.00 -0.22 0.00 0.00 54.13 53.92 2avv s LEU 23 Cb 0.01 -2.28 0.02 0.00 0.50 0.00 0.00 46.19 44.44 2avv s LEU 23 CO -0.08 0.01 1.15 -0.76 -1.32 0.00 0.00 176.35 175.35 2avv s LEU 24 N 1.11 3.82 -0.36 -0.68 1.43 -0.34 -0.28 118.68 123.39 2avv s LEU 24 Ca 0.13 0.90 0.01 0.00 -1.03 0.00 0.00 54.13 54.14 2avv s LEU 24 Cb -0.14 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2avv s LEU 24 CO 0.06 -1.05 0.12 -0.62 0.23 0.00 0.00 176.35 175.09 2avv s ASP 25 N 2.18 4.17 0.36 2.29 -1.08 0.21 -4.79 116.67 120.01 2avv s ASP 25 Ca 0.49 -2.07 0.27 0.00 -0.52 0.00 0.00 52.55 50.71 2avv s ASP 25 Cb -0.11 -1.16 1.18 0.00 -1.46 0.00 0.00 42.92 41.37 2avv s ASP 25 CO 0.22 -0.36 1.81 0.71 0.52 0.00 0.00 175.17 178.07 2avv h THR 26 N 6.20 0.00 -0.01 1.71 1.35 -1.94 -2.30 112.91 117.91 2avv h THR 26 Ca -0.08 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2avv h THR 26 Cb 0.99 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 2avv h THR 26 CO 0.50 0.00 -0.16 0.61 -0.25 0.00 0.00 175.52 176.22 2avv n GLY 27 N -0.19 -0.46 3.62 5.82 0.00 -1.26 -4.79 105.19 107.92 2avv n GLY 27 Ca 0.01 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 2avv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avv s ALA 28 N -2.34 3.57 0.26 4.61 0.00 -0.87 -4.97 121.76 122.02 2avv s ALA 28 Ca 0.29 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 2avv s ALA 28 Cb 0.20 -2.74 0.35 0.00 0.00 0.00 0.00 23.12 20.92 2avv s ALA 28 CO 0.46 -0.64 1.73 -0.44 0.00 0.00 0.00 175.76 176.87 2avv h ASP 29 N 8.04 0.66 -2.23 0.00 3.32 -1.86 0.71 116.42 125.06 2avv h ASP 29 Ca -0.31 -0.19 -0.57 0.00 0.02 0.00 0.00 57.03 55.97 2avv h ASP 29 Cb 1.16 -0.18 -0.13 0.00 0.22 0.00 0.00 39.33 40.40 2avv h ASP 29 CO 0.67 0.81 -0.59 -1.81 -1.72 0.00 0.00 179.24 176.60 2avv s ASP 30 N -6.73 3.27 -0.22 6.45 1.01 -1.26 -3.32 116.67 115.86 2avv s ASP 30 Ca -0.08 -1.42 -0.09 0.00 0.71 0.00 0.00 52.55 51.67 2avv s ASP 30 Cb 0.14 -0.14 -0.04 0.00 1.01 0.00 0.00 42.92 43.89 2avv s ASP 30 CO 0.81 -0.58 0.12 -0.89 0.21 0.00 0.00 175.17 174.83 2avv s THR 31 N -2.98 5.03 -0.06 -1.27 2.01 -1.26 -3.18 115.64 113.93 2avv s THR 31 Ca 0.32 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.40 2avv s THR 31 Cb 0.08 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.29 2avv s THR 31 CO 0.15 0.38 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.70 2avv s VAL 32 N 0.89 0.85 0.01 3.82 1.01 -0.46 -1.10 120.40 125.41 2avv s VAL 32 Ca 0.06 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.79 2avv s VAL 32 Cb -0.13 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2avv s VAL 32 CO 0.03 0.30 -0.14 -0.63 0.00 0.00 0.00 175.10 174.66 2avv s ILE 33 N 0.87 3.11 0.71 2.22 -1.09 0.31 -0.19 121.20 127.13 2avv s ILE 33 Ca -0.11 -0.95 -0.16 0.00 -2.23 0.00 0.00 60.65 57.19 2avv s ILE 33 Cb -0.15 -2.30 0.02 0.00 -1.58 0.00 0.00 42.46 38.45 2avv s ILE 33 CO 0.01 0.42 1.25 -0.62 -1.23 0.00 0.00 174.94 174.77 2avv n GLU 34 N 1.74 0.77 -1.58 2.79 1.02 -1.26 -1.59 120.64 122.52 2avv n GLU 34 Ca -0.16 0.33 -0.58 0.00 -0.02 0.00 0.00 57.16 56.72 2avv n GLU 34 Cb 0.52 -2.49 -0.08 0.00 -0.02 0.00 0.00 31.44 29.38 2avv n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2avv n GLU 35 N -2.38 0.44 -3.58 3.49 -0.58 -1.18 -4.62 120.64 112.22 2avv n GLU 35 Ca 0.15 0.16 -0.10 0.00 -0.42 0.00 0.00 57.16 56.95 2avv n GLU 35 Cb 0.49 -1.72 -0.02 0.00 -0.57 0.00 0.00 31.44 29.62 2avv n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2avv s MET 36 N 0.93 1.42 -0.18 3.49 0.23 -1.26 -5.03 119.30 118.90 2avv s MET 36 Ca 0.92 -0.66 -0.28 0.00 -1.03 0.00 0.00 55.69 54.63 2avv s MET 36 Cb -1.20 0.58 -0.00 0.00 -1.53 0.00 0.00 34.83 32.69 2avv s MET 36 CO 0.59 -0.63 0.99 -1.12 -2.03 0.00 0.00 175.02 172.82 2avv s SER 37 N -2.81 7.12 -0.04 -1.18 0.01 -1.26 -5.05 113.70 110.49 2avv s SER 37 Ca 0.05 1.39 0.01 0.00 1.31 0.00 0.00 55.95 58.71 2avv s SER 37 Cb -0.02 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.70 2avv s SER 37 CO -0.06 -0.55 -0.05 -0.76 0.41 0.00 0.00 173.24 172.23 2avv s LEU 38 N 2.64 1.37 0.70 2.44 1.43 -1.26 -4.96 118.68 121.05 2avv s LEU 38 Ca 0.44 -0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 53.29 2avv s LEU 38 Cb -0.16 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.64 2avv s LEU 38 CO 0.11 -0.05 1.09 -2.16 0.23 0.00 0.00 176.35 175.58 2avv s PRO 39 N 0.85 2.63 0.02 1.29 0.04 -1.26 -4.93 135.00 133.64 2avv s PRO 39 Ca -0.11 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.17 2avv s PRO 39 Cb -0.14 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2avv s PRO 39 CO 0.00 -1.36 0.00 0.41 0.04 0.00 0.00 177.00 176.09 2avv n GLY 40 N -0.99 -3.81 3.81 0.56 0.00 -1.26 -5.01 105.19 98.48 2avv n GLY 40 Ca 0.09 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 2avv n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2avv s ARG 41 N -0.87 4.26 0.17 1.61 0.52 -1.26 -5.08 118.95 118.31 2avv s ARG 41 Ca 0.00 1.23 -0.08 0.00 -0.52 0.00 0.00 55.73 56.36 2avv s ARG 41 Cb 0.00 -2.34 -0.01 0.00 0.52 0.00 0.00 34.95 33.12 2avv s ARG 41 CO 0.00 -0.02 0.29 1.67 0.02 0.00 0.00 175.30 177.26 2avv s TRP 42 N -1.98 0.46 0.05 -0.53 1.48 -1.26 -4.45 118.94 112.71 2avv s TRP 42 Ca 0.60 -0.82 0.02 0.00 -1.06 0.00 0.00 56.10 54.83 2avv s TRP 42 Cb -0.13 -0.08 -0.03 0.00 -1.16 0.00 0.00 33.47 32.07 2avv s TRP 42 CO 0.18 -0.74 -0.07 -1.59 -4.06 0.00 0.00 176.95 170.67 2avv s LYS 43 N -3.99 0.56 0.44 3.25 -2.85 -0.67 -4.91 119.74 111.57 2avv s LYS 43 Ca 0.19 -0.86 -0.23 0.00 -1.00 0.00 0.00 55.97 54.07 2avv s LYS 43 Cb 0.03 -0.21 -0.08 0.00 -2.06 0.00 0.00 37.83 35.51 2avv s LYS 43 CO 0.02 0.02 1.16 -1.25 0.10 0.00 0.00 175.35 175.40 2avv s PRO 44 N -2.06 3.85 0.04 1.78 0.04 -1.26 -0.31 135.00 137.08 2avv s PRO 44 Ca -0.06 1.77 -0.13 0.00 0.04 0.00 0.00 61.00 62.62 2avv s PRO 44 Cb -0.07 -2.47 0.02 0.00 0.04 0.00 0.00 34.50 32.02 2avv s PRO 44 CO -0.01 -0.47 0.27 0.21 0.04 0.00 0.00 177.00 177.04 2avv s LYS 45 N -2.60 0.77 -0.04 4.56 2.20 -0.78 -4.85 119.74 119.00 2avv s LYS 45 Ca 0.62 -0.52 -0.01 0.00 -0.36 0.00 0.00 55.97 55.70 2avv s LYS 45 Cb -0.29 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.33 2avv s LYS 45 CO 0.35 -0.24 0.05 -1.64 -0.36 0.00 0.00 175.35 173.51 2avv s MET 46 N -2.46 3.04 0.02 4.03 -1.94 -1.26 -0.42 119.30 120.30 2avv s MET 46 Ca -0.06 -0.44 0.02 0.00 -1.71 0.00 0.00 55.69 53.50 2avv s MET 46 Cb -0.01 -2.85 -0.01 0.00 2.01 0.00 0.00 34.83 33.97 2avv s MET 46 CO -0.03 0.67 -0.08 0.96 -0.01 0.00 0.00 175.02 176.54 2avv s ILE 47 N -1.07 0.57 0.04 2.53 -4.36 -0.57 -4.98 121.20 113.36 2avv s ILE 47 Ca 0.19 -0.66 0.08 0.00 -0.26 0.00 0.00 60.65 60.00 2avv s ILE 47 Cb -0.12 -0.55 -0.03 0.00 1.25 0.00 0.00 42.46 43.02 2avv s ILE 47 CO 0.09 -0.08 -0.22 -0.83 0.24 0.00 0.00 174.94 174.14 2avv s GLY 48 N -0.81 1.49 0.00 6.27 0.00 -1.26 -0.66 107.32 112.35 2avv s GLY 48 Ca -0.03 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2avv s GLY 48 CO 0.00 -1.10 0.00 0.61 0.00 0.00 0.00 173.10 172.61 2avv n GLY 49 N 1.69 5.60 0.22 0.20 0.00 0.11 -4.96 105.19 108.05 2avv n GLY 49 Ca -0.17 -1.44 0.03 0.00 0.00 0.00 0.00 46.02 44.44 2avv n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2avv h ILE 50 N 0.00 1.20 -0.55 -0.61 2.04 -2.03 -2.92 117.51 114.64 2avv h ILE 50 Ca 0.00 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2avv h ILE 50 Cb 0.00 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2avv h ILE 50 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 178.15 179.03 2avv n GLY 51 N -0.76 1.95 0.00 5.37 0.00 -1.26 -5.02 105.19 105.47 2avv n GLY 51 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2avv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avv n GLY 52 N 1.19 0.61 3.69 -0.02 0.00 -1.11 -5.09 105.19 104.47 2avv n GLY 52 Ca 0.20 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 2avv n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2avv s PHE 53 N -0.83 3.03 0.11 1.61 0.40 -1.26 0.04 117.98 121.06 2avv s PHE 53 Ca 0.00 0.01 0.08 0.00 -0.60 0.00 0.00 56.93 56.42 2avv s PHE 53 Cb 0.00 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 2avv s PHE 53 CO 0.00 0.48 -0.20 0.96 0.70 0.00 0.00 175.22 177.16 2avv s ILE 54 N -1.27 1.69 -0.13 0.64 -4.36 0.17 -4.96 121.20 112.98 2avv s ILE 54 Ca 0.25 -1.56 -0.18 0.00 -0.26 0.00 0.00 60.65 58.90 2avv s ILE 54 Cb -0.12 -1.55 -0.04 0.00 1.25 0.00 0.00 42.46 42.00 2avv s ILE 54 CO 0.17 -0.09 0.46 -0.75 0.24 0.00 0.00 174.94 174.97 2avv s LYS 55 N -1.97 4.32 0.31 0.37 2.20 -1.26 -1.51 119.74 122.21 2avv s LYS 55 Ca 0.07 0.40 0.03 0.00 -0.36 0.00 0.00 55.97 56.11 2avv s LYS 55 Cb -0.10 -3.45 -0.06 0.00 -1.51 0.00 0.00 37.83 32.72 2avv s LYS 55 CO 0.04 0.14 0.07 0.14 -0.36 0.00 0.00 175.35 175.38 2avv s VAL 56 N 0.69 1.07 -0.24 4.02 -7.23 0.44 -4.50 120.40 114.65 2avv s VAL 56 Ca 0.25 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.30 2avv s VAL 56 Cb -0.15 -2.76 -0.05 0.00 0.56 0.00 0.00 36.38 33.98 2avv s VAL 56 CO 0.09 0.00 0.21 -0.13 -0.31 0.00 0.00 175.10 174.96 2avv s ARG 57 N -3.92 4.07 -0.34 4.82 0.52 0.03 -1.87 118.95 122.27 2avv s ARG 57 Ca 0.37 -0.19 -0.15 0.00 -0.52 0.00 0.00 55.73 55.23 2avv s ARG 57 Cb 0.09 -3.55 -0.01 0.00 0.52 0.00 0.00 34.95 31.99 2avv s ARG 57 CO 0.15 0.01 0.37 -1.14 0.02 0.00 0.00 175.30 174.71 2avv s GLN 58 N 1.20 3.59 -0.21 3.54 0.74 0.57 -0.41 119.66 128.68 2avv s GLN 58 Ca 0.09 -0.39 -0.06 0.00 0.05 0.00 0.00 55.36 55.05 2avv s GLN 58 Cb -0.14 -3.80 -0.03 0.00 1.10 0.00 0.00 33.01 30.14 2avv s GLN 58 CO 0.06 -0.52 0.04 0.71 -0.55 0.00 0.00 175.29 175.03 2avv s TYR 59 N 2.03 3.11 0.25 1.67 1.51 -0.09 -1.68 117.35 124.15 2avv s TYR 59 Ca 0.12 -0.30 -0.07 0.00 -1.01 0.00 0.00 57.07 55.81 2avv s TYR 59 Cb -0.16 -2.14 -0.06 0.00 -0.11 0.00 0.00 41.96 39.49 2avv s TYR 59 CO 0.12 -0.18 0.54 -0.51 -1.11 0.00 0.00 175.55 174.41 2avv s ASP 60 N 1.06 6.53 -1.27 2.29 1.01 -1.26 -0.72 116.67 124.31 2avv s ASP 60 Ca 0.03 0.81 -0.01 0.00 0.71 0.00 0.00 52.55 54.08 2avv s ASP 60 Cb -0.14 -2.18 0.01 0.00 1.01 0.00 0.00 42.92 41.61 2avv s ASP 60 CO 0.03 -0.12 0.90 1.67 0.21 0.00 0.00 175.17 177.86 2avv n GLN 61 N -0.48 -6.05 -3.47 8.23 7.27 -1.08 -4.88 117.38 116.91 2avv n GLN 61 Ca -0.01 0.75 -0.37 0.00 0.07 0.00 0.00 57.00 57.44 2avv n GLN 61 Cb 0.53 -5.60 -0.06 0.00 2.41 0.00 0.00 30.24 27.52 2avv n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2avv s ILE 62 N -3.47 5.22 0.11 1.69 -1.09 0.45 -4.73 121.20 119.39 2avv s ILE 62 Ca 0.08 0.72 -0.30 0.00 -2.23 0.00 0.00 60.65 58.92 2avv s ILE 62 Cb -0.04 -3.70 -0.07 0.00 -1.58 0.00 0.00 42.46 37.08 2avv s ILE 62 CO 0.77 0.41 1.19 -0.63 -1.23 0.00 0.00 174.94 175.45 2avv s ILE 63 N 0.18 3.86 -0.15 2.92 1.01 -1.26 -1.64 121.20 126.12 2avv s ILE 63 Ca 0.21 1.43 -0.13 0.00 0.00 0.00 0.00 60.65 62.15 2avv s ILE 63 Cb -0.14 -3.91 0.04 0.00 0.01 0.00 0.00 42.46 38.45 2avv s ILE 63 CO 0.08 0.16 0.39 -0.51 0.00 0.00 0.00 174.94 175.06 2avv s ILE 64 N 0.58 -0.00 -0.08 2.92 2.07 -0.23 -4.42 121.20 122.03 2avv s ILE 64 Ca 0.56 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.83 2avv s ILE 64 Cb -0.31 -0.54 -0.02 0.00 0.13 0.00 0.00 42.46 41.73 2avv s ILE 64 CO 0.32 0.00 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.48 2avv s GLU 65 N 0.21 2.88 -0.26 3.50 2.12 -0.66 -0.33 118.70 126.16 2avv s GLU 65 Ca -0.00 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 54.59 2avv s GLU 65 Cb -0.03 -2.41 0.07 0.00 0.26 0.00 0.00 34.13 32.02 2avv s GLU 65 CO 0.01 0.38 -0.04 0.42 -0.54 0.00 0.00 175.26 175.49 2avv s ILE 66 N -0.11 1.64 -1.48 -3.70 1.09 -0.06 -0.90 121.20 117.68 2avv s ILE 66 Ca -0.03 -1.42 -0.03 0.00 -1.10 0.00 0.00 60.65 58.07 2avv s ILE 66 Cb -0.14 -1.95 0.03 0.00 -1.06 0.00 0.00 42.46 39.34 2avv s ILE 66 CO 0.04 -0.20 0.42 0.00 -0.10 0.00 0.00 174.94 175.10 2avv n ALA 67 N 4.61 -1.88 -1.00 9.38 0.00 -0.23 -0.64 120.51 130.76 2avv n ALA 67 Ca -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2avv n ALA 67 Cb 0.43 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2avv n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2avv n GLY 68 N -1.97 0.95 3.52 0.00 0.00 -1.26 -5.02 105.19 101.42 2avv n GLY 68 Ca -0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 2avv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2avv s HIS 69 N -3.81 3.17 0.06 1.61 4.02 0.19 -5.07 115.29 115.46 2avv s HIS 69 Ca 0.00 -0.15 -0.24 0.00 1.02 0.00 0.00 55.06 55.69 2avv s HIS 69 Cb 0.00 -2.33 -0.06 0.00 -1.02 0.00 0.00 32.58 29.17 2avv s HIS 69 CO 0.00 -0.27 0.75 0.15 1.02 0.00 0.00 174.74 176.39 2avv s LYS 70 N 1.70 4.48 0.19 1.40 1.02 -1.26 -0.88 119.74 126.38 2avv s LYS 70 Ca 0.07 1.04 -0.07 0.00 0.02 0.00 0.00 55.97 57.02 2avv s LYS 70 Cb -0.16 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 2avv s LYS 70 CO 0.08 0.35 0.27 0.00 -0.92 0.00 0.00 175.35 175.13 2avv s ALA 71 N -0.28 0.26 -0.20 5.17 0.00 0.55 -4.93 121.76 122.34 2avv s ALA 71 Ca 0.37 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 2avv s ALA 71 Cb -0.21 1.01 0.09 0.00 0.00 0.00 0.00 23.12 24.01 2avv s ALA 71 CO 0.23 -0.67 0.20 0.42 0.00 0.00 0.00 175.76 175.94 2avv s ILE 72 N -4.02 -0.29 0.35 0.00 1.01 -1.26 -1.06 121.20 115.93 2avv s ILE 72 Ca 0.23 -0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.66 2avv s ILE 72 Cb 0.04 -0.65 0.04 0.00 0.01 0.00 0.00 42.46 41.90 2avv s ILE 72 CO 0.04 -0.21 0.66 -0.24 0.00 0.00 0.00 174.94 175.19 2avv n SER 73 N 5.31 -1.90 -4.71 3.58 2.88 -0.65 -4.78 113.62 113.35 2avv n SER 73 Ca -0.06 -2.53 -0.42 0.00 -1.33 0.00 0.00 58.87 54.54 2avv n SER 73 Cb 0.49 3.23 -0.03 0.00 -0.75 0.00 0.00 64.21 67.15 2avv n SER 73 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2avv s THR 74 N -2.33 3.70 -0.10 2.46 2.01 -1.26 -0.41 115.64 119.71 2avv s THR 74 Ca 0.17 1.22 0.02 0.00 0.31 0.00 0.00 61.69 63.42 2avv s THR 74 Cb -0.04 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.70 2avv s THR 74 CO 0.13 0.10 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.30 2avv s VAL 75 N 1.05 1.56 -0.01 3.82 1.01 0.10 -4.55 120.40 123.38 2avv s VAL 75 Ca 0.61 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 2avv s VAL 75 Cb -0.33 -1.41 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 2avv s VAL 75 CO 0.30 0.45 0.40 -0.76 0.00 0.00 0.00 175.10 175.49 2avv s LEU 76 N 0.79 4.46 -0.11 3.92 1.43 -0.26 -0.91 118.68 128.00 2avv s LEU 76 Ca -0.10 0.93 0.03 0.00 -1.03 0.00 0.00 54.13 53.95 2avv s LEU 76 Cb -0.16 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.51 2avv s LEU 76 CO 0.01 0.31 -0.22 -0.69 0.23 0.00 0.00 176.35 176.00 2avv s VAL 77 N -0.97 1.95 -0.00 -1.59 1.01 0.45 -0.53 120.40 120.71 2avv s VAL 77 Ca 0.23 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 2avv s VAL 77 Cb -0.16 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.51 2avv s VAL 77 CO 0.13 0.53 0.02 0.61 0.00 0.00 0.00 175.10 176.39 2avv n GLY 78 N 3.79 0.46 2.47 4.51 0.00 -0.62 -0.79 105.19 115.01 2avv n GLY 78 Ca -0.20 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 2avv n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2avv n PRO 79 N -0.01 3.34 -3.74 1.61 -0.04 -1.26 -3.10 135.00 131.81 2avv n PRO 79 Ca 0.00 -2.30 -0.34 0.00 -0.04 0.00 0.00 63.50 60.82 2avv n PRO 79 Cb 0.01 -2.95 -0.05 0.00 -0.04 0.00 0.00 33.50 30.47 2avv n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2avv s THR 80 N 2.59 5.26 -0.85 0.52 -1.32 -1.26 -4.99 115.64 115.58 2avv s THR 80 Ca 0.61 0.13 0.27 0.00 -1.21 0.00 0.00 61.69 61.49 2avv s THR 80 Cb 0.16 -3.59 0.26 0.00 -1.51 0.00 0.00 72.50 67.82 2avv s THR 80 CO -0.07 0.28 1.83 -0.81 -2.21 0.00 0.00 174.62 173.64 2avv n PRO 81 N 0.83 0.14 -3.75 7.08 -0.04 -1.26 -4.62 135.00 133.38 2avv n PRO 81 Ca -0.09 0.11 -0.13 0.00 -0.04 0.00 0.00 63.50 63.36 2avv n PRO 81 Cb 0.52 -1.66 -0.09 0.00 -0.04 0.00 0.00 33.50 32.23 2avv n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2avv s VAL 82 N -3.06 0.03 0.09 0.52 0.11 -1.26 -5.07 120.40 111.77 2avv s VAL 82 Ca 0.12 -0.25 -0.31 0.00 -2.93 0.00 0.00 61.98 58.61 2avv s VAL 82 Cb 0.15 -0.56 -0.07 0.00 -1.53 0.00 0.00 36.38 34.37 2avv s VAL 82 CO 0.57 -0.14 1.32 0.20 -3.33 0.00 0.00 175.10 173.72 2avv s ASN 83 N -0.62 6.92 -0.14 3.54 0.01 -1.26 -4.65 114.94 118.74 2avv s ASN 83 Ca -0.07 2.20 0.01 0.00 -0.71 0.00 0.00 52.86 54.29 2avv s ASN 83 Cb -0.04 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.06 2avv s ASN 83 CO 0.03 -0.58 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.24 2avv s ILE 84 N 1.11 1.66 -0.42 0.60 1.01 0.73 -0.50 121.20 125.38 2avv s ILE 84 Ca 0.62 -0.70 -0.16 0.00 0.00 0.00 0.00 60.65 60.41 2avv s ILE 84 Cb -0.34 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.63 2avv s ILE 84 CO 0.30 0.47 0.36 -0.63 0.00 0.00 0.00 174.94 175.44 2avv s ILE 85 N 1.29 5.20 0.22 2.92 -1.09 0.62 -1.36 121.20 129.00 2avv s ILE 85 Ca 0.01 -0.62 0.02 0.00 -2.23 0.00 0.00 60.65 57.83 2avv s ILE 85 Cb -0.14 -4.00 0.04 0.00 -1.58 0.00 0.00 42.46 36.79 2avv s ILE 85 CO -0.08 -0.40 0.30 0.61 -1.23 0.00 0.00 174.94 174.15 2avv n GLY 86 N 5.15 1.42 0.22 6.18 0.00 -1.19 -0.62 105.19 116.35 2avv n GLY 86 Ca -0.10 -2.09 0.06 0.00 0.00 0.00 0.00 46.02 43.90 2avv n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2avv h ARG 87 N 0.00 0.00 -0.39 1.61 3.08 -0.90 -1.59 114.38 116.19 2avv h ARG 87 Ca -0.10 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.97 2avv h ARG 87 Cb 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2avv h ARG 87 CO 0.13 0.26 0.26 -2.95 -1.07 0.00 0.00 179.97 176.60 2avv h ASN 88 N 0.00 0.38 0.35 7.04 -1.07 -1.82 -0.90 115.58 119.56 2avv h ASN 88 Ca -0.00 -0.01 -0.31 0.00 0.07 0.00 0.00 56.30 56.05 2avv h ASN 88 Cb 0.51 -0.09 -0.05 0.00 -2.07 0.00 0.00 38.32 36.61 2avv h ASN 88 CO 0.03 0.27 -1.89 0.18 0.07 0.00 0.00 177.43 176.09 2avv n LEU 89 N -4.48 0.82 -0.31 6.14 4.77 -0.77 -3.64 117.00 119.53 2avv n LEU 89 Ca 0.04 0.30 -0.05 0.00 -0.03 0.00 0.00 56.01 56.27 2avv n LEU 89 Cb 0.13 0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.44 2avv n LEU 89 CO 0.35 0.45 1.12 -0.07 -1.33 0.00 0.00 177.39 177.91 2avv h LEU 90 N 0.00 1.08 -0.70 2.23 3.38 -1.02 -1.57 115.31 118.72 2avv h LEU 90 Ca -0.36 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 2avv h LEU 90 Cb 2.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 42.51 2avv h LEU 90 CO 0.07 0.90 0.32 0.71 0.09 0.00 0.00 178.44 180.52 2avv h THR 91 N 1.18 1.24 0.00 0.22 1.35 -1.34 -1.00 112.91 114.56 2avv h THR 91 Ca 0.29 -0.70 -0.03 0.00 -0.55 0.00 0.00 66.41 65.43 2avv h THR 91 Cb 0.09 0.40 -0.00 0.00 -1.73 0.00 0.00 68.15 66.90 2avv h THR 91 CO -0.04 0.29 -0.13 1.56 -0.25 0.00 0.00 175.52 176.95 2avv h GLN 92 N 0.98 0.00 -0.29 4.72 4.20 -1.40 -2.24 115.11 121.07 2avv h GLN 92 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2avv h GLN 92 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2avv h GLN 92 CO -0.03 0.13 0.00 0.44 -0.67 0.00 0.00 178.83 178.70 2avv n ILE 93 N -3.60 0.37 -0.84 2.54 -5.35 -0.68 -4.96 119.36 106.85 2avv n ILE 93 Ca -0.02 -0.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.81 2avv n ILE 93 Cb 0.26 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 2avv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2avv n GLY 94 N 1.44 0.51 3.74 3.28 0.00 -0.84 -5.02 105.19 108.30 2avv n GLY 94 Ca 0.18 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 2avv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avv s ALA 95 N -2.00 3.35 0.07 4.61 0.00 -0.41 -5.03 121.76 122.35 2avv s ALA 95 Ca 0.00 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.75 2avv s ALA 95 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 2avv s ALA 95 CO 0.00 -0.08 -0.10 0.95 0.00 0.00 0.00 175.76 176.53 2avv s THR 96 N -0.64 0.82 -0.10 0.00 -4.23 -1.26 -4.64 115.64 105.58 2avv s THR 96 Ca 0.46 -1.36 -0.17 0.00 -1.18 0.00 0.00 61.69 59.45 2avv s THR 96 Cb -0.28 -1.02 -0.05 0.00 1.34 0.00 0.00 72.50 72.49 2avv s THR 96 CO 0.35 -0.42 0.43 -0.76 -0.54 0.00 0.00 174.62 173.67 2avv s LEU 97 N -1.97 4.31 -0.01 4.79 1.43 -1.26 -5.08 118.68 120.89 2avv s LEU 97 Ca -0.02 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 53.88 2avv s LEU 97 Cb -0.07 -2.61 -0.00 0.00 0.03 0.00 0.00 46.19 43.54 2avv s LEU 97 CO 0.00 0.08 -0.08 0.20 0.23 0.00 0.00 176.35 176.79 2avv s ASN 98 N 0.27 0.99 0.00 2.29 0.01 -1.26 -5.29 114.94 111.95 2avv s ASN 98 Ca 0.24 -0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.23 2avv s ASN 98 Cb -0.15 -0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.33 2avv s ASN 98 CO 0.10 0.08 0.00 2.22 -1.51 0.00 0.00 177.10 177.98