#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 2.86 -0.27 0.54 1.11 -1.26 -5.09 119.66 117.56 2avv s GLN 2 Ca 0.00 -1.02 -0.08 0.00 0.01 0.00 0.00 55.36 54.27 2avv s GLN 2 Cb 0.00 -3.48 -0.03 0.00 -1.01 0.00 0.00 33.01 28.49 2avv s GLN 2 CO 0.00 -0.58 0.10 0.42 0.01 0.00 0.00 175.29 175.24 2avv s ILE 3 N 1.48 4.48 0.81 1.08 1.01 -1.26 -5.09 121.20 123.71 2avv s ILE 3 Ca 0.01 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.35 2avv s ILE 3 Cb -0.18 -3.14 0.08 0.00 0.01 0.00 0.00 42.46 39.22 2avv s ILE 3 CO 0.04 0.27 1.12 0.42 0.00 0.00 0.00 174.94 176.78 2avv s THR 4 N 1.63 2.77 -0.16 2.92 -4.23 -1.26 -5.00 115.64 112.30 2avv s THR 4 Ca 0.06 0.25 0.16 0.00 -1.18 0.00 0.00 61.69 60.98 2avv s THR 4 Cb -0.16 -3.06 0.34 0.00 1.34 0.00 0.00 72.50 70.96 2avv s THR 4 CO 0.05 -0.33 1.18 0.18 -0.54 0.00 0.00 174.62 175.16 2avv n LEU 5 N -3.43 2.48 0.20 4.79 4.77 -1.26 -4.61 117.00 119.93 2avv n LEU 5 Ca 0.07 -3.39 0.04 0.00 -0.03 0.00 0.00 56.01 52.70 2avv n LEU 5 Cb 0.58 -0.47 0.40 0.00 -2.33 0.00 0.00 43.42 41.60 2avv n LEU 5 CO 0.57 0.98 0.75 -0.50 -1.33 0.00 0.00 177.39 177.85 2avv h TRP 6 N 0.39 0.00 -2.29 -1.77 4.06 -2.06 -3.43 115.95 110.85 2avv h TRP 6 Ca -0.00 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.41 2avv h TRP 6 Cb 1.00 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.03 2avv h TRP 6 CO 0.29 0.34 -0.59 -1.59 -3.56 0.00 0.00 178.44 173.33 2avv s LYS 7 N -4.10 1.81 0.21 0.49 -2.85 -1.26 -5.11 119.74 108.92 2avv s LYS 7 Ca -0.02 -2.03 -0.32 0.00 -1.00 0.00 0.00 55.97 52.59 2avv s LYS 7 Cb 0.14 -1.14 -0.13 0.00 -2.06 0.00 0.00 37.83 34.63 2avv s LYS 7 CO 0.70 -0.17 1.59 0.54 0.10 0.00 0.00 175.35 178.10 2avv n ARG 8 N -0.83 2.36 -2.58 1.78 1.74 -1.26 -4.87 116.66 113.01 2avv n ARG 8 Ca -0.04 0.85 -0.42 0.00 -0.77 0.00 0.00 57.85 57.47 2avv n ARG 8 Cb 0.67 -2.62 -0.02 0.00 -1.02 0.00 0.00 32.46 29.47 2avv n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2avv s PRO 9 N 0.54 3.73 -0.08 5.56 0.04 -1.26 -4.95 135.00 138.58 2avv s PRO 9 Ca 0.74 -1.44 -0.11 0.00 0.04 0.00 0.00 61.00 60.23 2avv s PRO 9 Cb -0.61 -5.41 -0.05 0.00 0.04 0.00 0.00 34.50 28.48 2avv s PRO 9 CO 0.40 -2.22 0.25 -0.51 0.04 0.00 0.00 177.00 174.97 2avv s LEU 10 N 4.66 4.40 0.15 -3.56 1.43 -1.26 -0.89 118.68 123.61 2avv s LEU 10 Ca 0.48 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 54.26 2avv s LEU 10 Cb 0.01 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 2avv s LEU 10 CO -0.04 0.34 -0.06 0.68 0.23 0.00 0.00 176.35 177.50 2avv s VAL 11 N -0.83 0.92 -0.02 -1.59 -7.23 0.07 -4.94 120.40 106.78 2avv s VAL 11 Ca 0.18 -2.01 -0.21 0.00 -1.81 0.00 0.00 61.98 58.14 2avv s VAL 11 Cb -0.14 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 2avv s VAL 11 CO 0.07 -0.69 0.61 -0.89 -0.31 0.00 0.00 175.10 173.89 2avv s THR 12 N -3.49 4.94 0.23 5.32 2.01 -1.26 -0.53 115.64 122.85 2avv s THR 12 Ca 0.18 1.26 0.09 0.00 0.31 0.00 0.00 61.69 63.53 2avv s THR 12 Cb 0.04 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 2avv s THR 12 CO 0.01 0.39 -0.16 0.27 -0.69 0.00 0.00 174.62 174.44 2avv s ILE 13 N -0.02 1.94 -0.10 1.82 -4.36 0.68 -0.89 121.20 120.28 2avv s ILE 13 Ca 0.32 -2.27 0.02 0.00 -0.26 0.00 0.00 60.65 58.46 2avv s ILE 13 Cb -0.18 -2.11 0.01 0.00 1.25 0.00 0.00 42.46 41.43 2avv s ILE 13 CO 0.17 -0.54 -0.14 -0.75 0.24 0.00 0.00 174.94 173.92 2avv s LYS 14 N -3.60 2.05 -0.13 0.37 2.20 -0.60 -0.93 119.74 119.11 2avv s LYS 14 Ca 0.24 -0.51 -0.09 0.00 -0.36 0.00 0.00 55.97 55.26 2avv s LYS 14 Cb -0.02 -1.74 0.04 0.00 -1.51 0.00 0.00 37.83 34.60 2avv s LYS 14 CO 0.09 -0.04 0.32 -1.50 -0.36 0.00 0.00 175.35 173.86 2avv s ILE 15 N 0.92 -0.02 -1.71 5.43 2.07 -0.23 -1.62 121.20 126.05 2avv s ILE 15 Ca -0.09 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.22 2avv s ILE 15 Cb -0.15 -0.47 0.00 0.00 0.13 0.00 0.00 42.46 41.97 2avv s ILE 15 CO -0.00 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 2avv n GLY 16 N 3.65 0.47 2.13 1.50 0.00 -1.26 -1.30 105.19 110.38 2avv n GLY 16 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.68 0.46 3.52 -0.02 0.00 -1.26 -5.03 105.19 102.18 2avv n GLY 17 Ca -0.20 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 2avv n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2avv s GLN 18 N -0.64 2.62 0.03 1.61 -0.21 -0.42 -5.10 119.66 117.56 2avv s GLN 18 Ca 0.00 -0.63 -0.23 0.00 0.02 0.00 0.00 55.36 54.52 2avv s GLN 18 Cb 0.00 -2.47 -0.06 0.00 1.00 0.00 0.00 33.01 31.48 2avv s GLN 18 CO 0.00 0.63 0.69 -0.51 -2.12 0.00 0.00 175.29 173.98 2avv s LEU 19 N -0.74 4.45 0.13 2.90 1.43 -1.26 -1.06 118.68 124.53 2avv s LEU 19 Ca 0.11 1.34 -0.07 0.00 -1.03 0.00 0.00 54.13 54.48 2avv s LEU 19 Cb -0.11 -3.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.00 2avv s LEU 19 CO 0.01 0.07 0.21 -0.54 0.23 0.00 0.00 176.35 176.33 2avv s LYS 20 N -0.23 1.00 -0.06 1.70 1.02 -0.10 -4.99 119.74 118.07 2avv s LYS 20 Ca 0.35 -1.16 -0.04 0.00 0.02 0.00 0.00 55.97 55.14 2avv s LYS 20 Cb -0.20 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.41 2avv s LYS 20 CO 0.21 -0.34 0.12 -1.21 -0.92 0.00 0.00 175.35 173.21 2avv s GLU 21 N -3.95 3.31 0.03 1.68 0.41 -1.26 -0.23 118.70 118.69 2avv s GLU 21 Ca 0.14 -0.28 -0.06 0.00 -0.41 0.00 0.00 54.97 54.36 2avv s GLU 21 Cb 0.05 -3.05 -0.01 0.00 -1.78 0.00 0.00 34.13 29.34 2avv s GLU 21 CO -0.03 0.72 0.11 0.00 -0.49 0.00 0.00 175.26 175.57 2avv s ALA 22 N -1.12 -0.16 -0.19 5.21 0.00 0.31 -4.49 121.76 121.32 2avv s ALA 22 Ca 0.19 -0.41 -0.20 0.00 0.00 0.00 0.00 51.96 51.55 2avv s ALA 22 Cb -0.12 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 2avv s ALA 22 CO 0.09 -0.29 0.57 -1.17 0.00 0.00 0.00 175.76 174.96 2avv s LEU 23 N -1.91 4.15 -0.36 0.00 2.96 0.30 -0.75 118.68 123.08 2avv s LEU 23 Ca -0.08 0.76 -0.29 0.00 -0.22 0.00 0.00 54.13 54.30 2avv s LEU 23 Cb -0.03 -2.80 0.01 0.00 0.50 0.00 0.00 46.19 43.87 2avv s LEU 23 CO -0.03 -0.21 1.28 -0.76 -1.32 0.00 0.00 176.35 175.30 2avv s LEU 24 N 1.71 3.77 -0.34 -0.68 1.43 -0.07 -0.68 118.68 123.82 2avv s LEU 24 Ca 0.26 0.97 0.02 0.00 -1.03 0.00 0.00 54.13 54.35 2avv s LEU 24 Cb -0.16 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.63 2avv s LEU 24 CO 0.10 -1.17 0.10 -0.62 0.23 0.00 0.00 176.35 174.98 2avv s ASP 25 N 2.89 4.34 0.47 2.29 -1.08 -0.01 -4.78 116.67 120.79 2avv s ASP 25 Ca 0.55 -2.02 0.32 0.00 -0.52 0.00 0.00 52.55 50.88 2avv s ASP 25 Cb -0.14 -1.25 1.40 0.00 -1.46 0.00 0.00 42.92 41.47 2avv s ASP 25 CO 0.26 -0.38 1.94 0.71 0.52 0.00 0.00 175.17 178.23 2avv h THR 26 N 6.39 0.00 -0.00 1.71 1.35 -1.93 -2.34 112.91 118.08 2avv h THR 26 Ca -0.08 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2avv h THR 26 Cb 1.00 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2avv h THR 26 CO 0.51 0.00 -0.23 0.61 -0.25 0.00 0.00 175.52 176.15 2avv n GLY 27 N -0.21 -1.29 3.65 5.82 0.00 -1.26 -4.82 105.19 107.07 2avv n GLY 27 Ca 0.00 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.91 3.57 0.31 4.61 0.00 -0.88 -4.97 121.76 121.50 2avv s ALA 28 Ca 0.15 -0.74 0.10 0.00 0.00 0.00 0.00 51.96 51.47 2avv s ALA 28 Cb 0.19 -2.54 0.51 0.00 0.00 0.00 0.00 23.12 21.28 2avv s ALA 28 CO 0.59 -0.36 1.71 -0.44 0.00 0.00 0.00 175.76 177.26 2avv h ASP 29 N 7.65 0.06 -2.99 0.00 3.32 -1.87 0.37 116.42 122.96 2avv h ASP 29 Ca -0.36 -0.03 -0.49 0.00 0.02 0.00 0.00 57.03 56.18 2avv h ASP 29 Cb 1.17 -0.02 -0.14 0.00 0.22 0.00 0.00 39.33 40.56 2avv h ASP 29 CO 0.67 0.53 -0.66 -1.81 -1.72 0.00 0.00 179.24 176.26 2avv s ASP 30 N -6.89 2.68 -0.24 6.45 1.01 -1.26 -3.46 116.67 114.96 2avv s ASP 30 Ca -0.03 -1.24 -0.10 0.00 0.71 0.00 0.00 52.55 51.89 2avv s ASP 30 Cb 0.13 -0.15 -0.05 0.00 1.01 0.00 0.00 42.92 43.86 2avv s ASP 30 CO 0.75 -0.41 0.15 -0.89 0.21 0.00 0.00 175.17 174.98 2avv s THR 31 N -3.08 5.30 -0.09 -1.27 2.01 -1.26 -3.26 115.64 113.99 2avv s THR 31 Ca 0.31 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.47 2avv s THR 31 Cb 0.05 -3.47 0.02 0.00 0.01 0.00 0.00 72.50 69.11 2avv s THR 31 CO 0.13 0.35 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.64 2avv s VAL 32 N 1.08 0.92 -0.01 3.82 1.01 -0.19 -1.29 120.40 125.74 2avv s VAL 32 Ca 0.07 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.80 2avv s VAL 32 Cb -0.14 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 2avv s VAL 32 CO 0.05 0.33 -0.02 -0.63 0.00 0.00 0.00 175.10 174.83 2avv s ILE 33 N 1.36 4.01 0.63 2.22 -1.09 0.56 -0.76 121.20 128.13 2avv s ILE 33 Ca -0.02 -0.63 -0.18 0.00 -2.23 0.00 0.00 60.65 57.59 2avv s ILE 33 Cb -0.14 -2.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 2avv s ILE 33 CO -0.04 0.40 0.98 -0.62 -1.23 0.00 0.00 174.94 174.43 2avv n GLU 34 N 1.49 0.83 -1.65 2.79 1.02 -1.26 -1.69 120.64 122.17 2avv n GLU 34 Ca -0.15 0.33 -0.57 0.00 -0.02 0.00 0.00 57.16 56.75 2avv n GLU 34 Cb 0.53 -2.20 -0.07 0.00 -0.02 0.00 0.00 31.44 29.68 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 -1.23 0.92 -3.63 3.49 -0.58 -1.08 -4.61 120.64 113.92 2avv n GLU 35 Ca 0.14 0.34 -0.10 0.00 -0.42 0.00 0.00 57.16 57.11 2avv n GLU 35 Cb 0.48 -1.97 -0.03 0.00 -0.57 0.00 0.00 31.44 29.35 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 2.09 1.27 0.02 3.49 0.23 -1.26 -5.02 119.30 120.12 2avv s MET 36 Ca 0.94 -0.72 -0.30 0.00 -1.03 0.00 0.00 55.69 54.58 2avv s MET 36 Cb -1.09 0.53 -0.03 0.00 -1.53 0.00 0.00 34.83 32.70 2avv s MET 36 CO 0.60 -0.54 0.99 -1.12 -2.03 0.00 0.00 175.02 172.92 2avv s SER 37 N -2.82 7.37 -0.03 -1.18 0.01 -1.26 -5.03 113.70 110.75 2avv s SER 37 Ca 0.05 1.69 0.01 0.00 1.31 0.00 0.00 55.95 59.01 2avv s SER 37 Cb -0.00 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.68 2avv s SER 37 CO -0.08 -0.25 -0.02 -0.22 0.41 0.00 0.00 173.24 173.08 2avv s LEU 38 N 0.90 1.33 0.61 2.44 2.96 -1.26 -4.97 118.68 120.69 2avv s LEU 38 Ca 0.52 -0.07 -0.15 0.00 -0.22 0.00 0.00 54.13 54.21 2avv s LEU 38 Cb -0.22 -0.30 -0.03 0.00 0.50 0.00 0.00 46.19 46.14 2avv s LEU 38 CO 0.28 -0.06 1.05 -2.16 -1.32 0.00 0.00 176.35 174.14 2avv s PRO 39 N 0.84 3.27 0.00 0.98 0.04 -1.26 -4.95 135.00 133.92 2avv s PRO 39 Ca -0.10 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2avv s PRO 39 Cb -0.13 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2avv s PRO 39 CO -0.01 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.60 2avv n GLY 40 N -1.19 2.38 3.79 0.56 0.00 -1.26 -5.04 105.19 104.43 2avv n GLY 40 Ca 0.08 -2.07 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.26 4.15 0.18 1.61 3.00 -1.26 -5.05 118.95 119.32 2avv s ARG 41 Ca 0.00 1.37 -0.10 0.00 0.00 0.00 0.00 55.73 57.00 2avv s ARG 41 Cb 0.00 -2.40 -0.00 0.00 0.00 0.00 0.00 34.95 32.54 2avv s ARG 41 CO 0.00 -0.13 0.33 1.67 0.00 0.00 0.00 175.30 177.17 2avv s TRP 42 N -1.83 0.36 0.04 -0.53 1.48 -1.26 -4.51 118.94 112.69 2avv s TRP 42 Ca 0.60 -0.72 0.03 0.00 -1.06 0.00 0.00 56.10 54.95 2avv s TRP 42 Cb -0.18 0.00 -0.02 0.00 -1.16 0.00 0.00 33.47 32.12 2avv s TRP 42 CO 0.22 -0.77 -0.09 -1.59 -4.06 0.00 0.00 176.95 170.67 2avv s LYS 43 N -3.97 0.57 0.45 3.25 -2.85 -0.56 -4.91 119.74 111.72 2avv s LYS 43 Ca 0.17 -0.71 -0.23 0.00 -1.00 0.00 0.00 55.97 54.20 2avv s LYS 43 Cb 0.03 -0.40 -0.08 0.00 -2.06 0.00 0.00 37.83 35.32 2avv s LYS 43 CO 0.01 0.08 1.13 -1.25 0.10 0.00 0.00 175.35 175.42 2avv s PRO 44 N -1.41 3.82 0.03 1.78 0.04 -1.26 -0.43 135.00 137.57 2avv s PRO 44 Ca -0.07 1.68 -0.10 0.00 0.04 0.00 0.00 61.00 62.54 2avv s PRO 44 Cb -0.09 -2.39 0.01 0.00 0.04 0.00 0.00 34.50 32.07 2avv s PRO 44 CO 0.01 -0.48 0.22 0.21 0.04 0.00 0.00 177.00 177.00 2avv s LYS 45 N -2.73 0.69 -0.08 4.56 2.20 -0.57 -4.87 119.74 118.94 2avv s LYS 45 Ca 0.63 -0.55 0.04 0.00 -0.36 0.00 0.00 55.97 55.73 2avv s LYS 45 Cb -0.26 0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.33 2avv s LYS 45 CO 0.32 -0.20 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.28 2avv s MET 46 N -2.34 2.80 0.08 4.03 -1.94 -1.26 -0.48 119.30 120.19 2avv s MET 46 Ca -0.07 -0.78 0.09 0.00 -1.71 0.00 0.00 55.69 53.22 2avv s MET 46 Cb -0.02 -2.36 -0.03 0.00 2.01 0.00 0.00 34.83 34.42 2avv s MET 46 CO -0.02 0.40 -0.23 0.96 -0.01 0.00 0.00 175.02 176.11 2avv s ILE 47 N -0.16 1.85 -0.14 2.53 -4.36 -0.32 -4.97 121.20 115.64 2avv s ILE 47 Ca -0.02 -1.44 -0.03 0.00 -0.26 0.00 0.00 60.65 58.90 2avv s ILE 47 Cb -0.14 -1.64 -0.03 0.00 1.25 0.00 0.00 42.46 41.91 2avv s ILE 47 CO 0.04 0.12 -0.02 -0.83 0.24 0.00 0.00 174.94 174.48 2avv s GLY 48 N -1.59 1.76 0.13 6.27 0.00 -1.26 -1.28 107.32 111.36 2avv s GLY 48 Ca 0.09 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.00 2avv s GLY 48 CO 0.03 -0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.53 2avv n GLY 49 N 3.12 4.02 0.26 0.20 0.00 0.13 -5.00 105.19 107.92 2avv n GLY 49 Ca -0.18 -2.25 0.04 0.00 0.00 0.00 0.00 46.02 43.64 2avv n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2avv h ILE 50 N 1.05 1.12 -0.28 -0.61 -0.00 -2.03 -3.14 117.51 113.63 2avv h ILE 50 Ca -0.11 -0.49 0.00 0.00 -0.00 0.00 0.00 64.86 64.27 2avv h ILE 50 Cb 0.32 1.05 0.00 0.00 -0.00 0.00 0.00 36.82 38.19 2avv h ILE 50 CO 0.18 0.16 0.00 0.61 -0.00 0.00 0.00 178.15 179.09 2avv n GLY 51 N -1.15 1.47 0.00 0.16 0.00 -1.26 -5.07 105.19 99.35 2avv n GLY 51 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 1.38 0.65 3.51 -0.02 0.00 -1.19 -5.11 105.19 104.41 2avv n GLY 52 Ca 0.17 -1.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.45 2.51 0.05 1.61 0.40 -1.26 0.20 117.98 119.04 2avv s PHE 53 Ca 0.00 -0.27 0.05 0.00 -0.60 0.00 0.00 56.93 56.11 2avv s PHE 53 Cb 0.00 -1.25 -0.03 0.00 0.51 0.00 0.00 43.02 42.25 2avv s PHE 53 CO 0.00 0.48 -0.14 0.96 0.70 0.00 0.00 175.22 177.22 2avv s ILE 54 N -1.58 1.10 0.04 0.64 -4.36 -0.40 -4.98 121.20 111.66 2avv s ILE 54 Ca 0.22 -1.15 -0.25 0.00 -0.26 0.00 0.00 60.65 59.22 2avv s ILE 54 Cb -0.09 -1.03 -0.05 0.00 1.25 0.00 0.00 42.46 42.54 2avv s ILE 54 CO 0.12 -0.11 0.76 -0.75 0.24 0.00 0.00 174.94 175.20 2avv s LYS 55 N -1.44 4.49 0.17 0.37 2.20 -1.26 -1.17 119.74 123.10 2avv s LYS 55 Ca -0.00 1.05 0.03 0.00 -0.36 0.00 0.00 55.97 56.69 2avv s LYS 55 Cb -0.09 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 2avv s LYS 55 CO 0.02 0.28 -0.04 0.14 -0.36 0.00 0.00 175.35 175.39 2avv s VAL 56 N -0.06 0.94 -0.28 4.02 -7.23 0.37 -4.37 120.40 113.78 2avv s VAL 56 Ca 0.38 -2.02 -0.14 0.00 -1.81 0.00 0.00 61.98 58.39 2avv s VAL 56 Cb -0.20 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 2avv s VAL 56 CO 0.23 -0.58 0.34 -0.13 -0.31 0.00 0.00 175.10 174.65 2avv s ARG 57 N -3.83 3.92 -0.33 4.82 0.52 -0.21 -1.51 118.95 122.33 2avv s ARG 57 Ca 0.21 -0.10 -0.20 0.00 -0.52 0.00 0.00 55.73 55.12 2avv s ARG 57 Cb 0.05 -3.68 -0.00 0.00 0.52 0.00 0.00 34.95 31.83 2avv s ARG 57 CO 0.03 -0.31 0.62 -1.14 0.02 0.00 0.00 175.30 174.52 2avv s GLN 58 N 2.02 3.77 -0.22 3.54 0.74 0.42 -0.97 119.66 128.97 2avv s GLN 58 Ca 0.13 0.15 -0.07 0.00 0.05 0.00 0.00 55.36 55.62 2avv s GLN 58 Cb -0.16 -3.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.15 2avv s GLN 58 CO 0.10 -0.65 0.05 0.71 -0.55 0.00 0.00 175.29 174.95 2avv s TYR 59 N 2.64 3.12 0.17 1.67 1.51 0.03 -1.50 117.35 124.99 2avv s TYR 59 Ca 0.24 -0.26 -0.07 0.00 -1.01 0.00 0.00 57.07 55.97 2avv s TYR 59 Cb -0.15 -2.15 -0.06 0.00 -0.11 0.00 0.00 41.96 39.49 2avv s TYR 59 CO 0.13 -0.16 0.44 -0.51 -1.11 0.00 0.00 175.55 174.34 2avv s ASP 60 N 1.08 6.56 -1.37 2.29 1.01 -1.26 -0.76 116.67 124.22 2avv s ASP 60 Ca 0.04 0.74 -0.08 0.00 0.71 0.00 0.00 52.55 53.95 2avv s ASP 60 Cb -0.14 -2.15 0.03 0.00 1.01 0.00 0.00 42.92 41.66 2avv s ASP 60 CO 0.03 0.02 1.05 0.00 0.21 0.00 0.00 175.17 176.49 2avv n GLN 61 N 0.12 -6.80 -3.30 8.23 3.00 -1.13 -4.92 117.38 112.57 2avv n GLN 61 Ca -0.02 0.75 -0.38 0.00 -0.01 0.00 0.00 57.00 57.34 2avv n GLN 61 Cb 0.52 -5.71 -0.06 0.00 0.00 0.00 0.00 30.24 25.00 2avv n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2avv s ILE 62 N -3.36 4.97 -0.00 5.09 -1.09 0.11 -4.80 121.20 122.11 2avv s ILE 62 Ca 0.45 1.09 -0.28 0.00 -2.23 0.00 0.00 60.65 59.68 2avv s ILE 62 Cb -0.21 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 2avv s ILE 62 CO 0.77 0.46 0.89 -0.63 -1.23 0.00 0.00 174.94 175.19 2avv s ILE 63 N -0.35 4.87 -0.06 2.92 1.09 -1.26 -1.31 121.20 127.09 2avv s ILE 63 Ca 0.28 1.86 -0.10 0.00 -1.10 0.00 0.00 60.65 61.59 2avv s ILE 63 Cb -0.17 -4.23 0.02 0.00 -1.06 0.00 0.00 42.46 37.02 2avv s ILE 63 CO 0.15 0.22 0.26 -0.51 -0.10 0.00 0.00 174.94 174.96 2avv s ILE 64 N 0.77 0.03 -0.07 2.92 2.07 -0.67 -4.53 121.20 121.71 2avv s ILE 64 Ca 0.47 -0.25 0.04 0.00 -1.41 0.00 0.00 60.65 59.50 2avv s ILE 64 Cb -0.20 -0.45 -0.02 0.00 0.13 0.00 0.00 42.46 41.92 2avv s ILE 64 CO 0.25 -0.14 -0.19 -0.70 -1.91 0.00 0.00 174.94 172.26 2avv s GLU 65 N -0.51 2.75 -0.24 3.50 2.12 -0.64 -0.30 118.70 125.38 2avv s GLU 65 Ca -0.06 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.48 2avv s GLU 65 Cb -0.04 -2.34 0.06 0.00 0.26 0.00 0.00 34.13 32.08 2avv s GLU 65 CO 0.02 0.41 -0.03 0.42 -0.54 0.00 0.00 175.26 175.54 2avv s ILE 66 N -0.20 1.37 -1.55 -3.70 1.01 0.13 -1.55 121.20 116.71 2avv s ILE 66 Ca -0.01 -1.18 -0.10 0.00 0.00 0.00 0.00 60.65 59.35 2avv s ILE 66 Cb -0.13 -1.71 0.08 0.00 0.01 0.00 0.00 42.46 40.70 2avv s ILE 66 CO 0.03 -0.18 0.68 0.00 0.00 0.00 0.00 174.94 175.47 2avv n ALA 67 N 4.72 -1.58 -0.27 9.38 0.00 -0.07 -1.05 120.51 131.65 2avv n ALA 67 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2avv n ALA 67 Cb 0.44 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 17.06 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 -1.68 2.09 3.64 0.00 0.00 -1.26 -5.02 105.19 102.96 2avv n GLY 68 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.14 3.30 -0.21 1.61 4.02 -0.22 -5.03 115.29 115.63 2avv s HIS 69 Ca 0.00 1.08 -0.26 0.00 1.02 0.00 0.00 55.06 56.90 2avv s HIS 69 Cb 0.00 -3.03 -0.01 0.00 -1.02 0.00 0.00 32.58 28.52 2avv s HIS 69 CO 0.00 -0.40 0.88 0.15 1.02 0.00 0.00 174.74 176.39 2avv s LYS 70 N 2.80 4.25 0.27 1.40 1.02 -1.26 -0.70 119.74 127.53 2avv s LYS 70 Ca 0.34 1.07 0.05 0.00 0.02 0.00 0.00 55.97 57.45 2avv s LYS 70 Cb -0.15 -3.61 -0.06 0.00 -0.52 0.00 0.00 37.83 33.49 2avv s LYS 70 CO 0.08 -0.46 -0.02 0.00 -0.92 0.00 0.00 175.35 174.03 2avv s ALA 71 N 2.60 2.15 -0.09 5.17 0.00 0.59 -5.01 121.76 127.17 2avv s ALA 71 Ca 0.39 -1.87 -0.03 0.00 0.00 0.00 0.00 51.96 50.44 2avv s ALA 71 Cb -0.16 0.36 0.05 0.00 0.00 0.00 0.00 23.12 23.37 2avv s ALA 71 CO 0.10 -0.17 0.10 0.42 0.00 0.00 0.00 175.76 176.21 2avv s ILE 72 N -3.20 -0.15 0.14 0.00 1.01 -1.26 -1.68 121.20 116.06 2avv s ILE 72 Ca 0.30 0.23 -0.04 0.00 0.00 0.00 0.00 60.65 61.14 2avv s ILE 72 Cb 0.05 -0.32 0.02 0.00 0.01 0.00 0.00 42.46 42.22 2avv s ILE 72 CO 0.11 0.03 0.26 -0.24 0.00 0.00 0.00 174.94 175.10 2avv n SER 73 N 5.30 -0.75 -4.73 3.58 2.88 -0.43 -4.88 113.62 114.60 2avv n SER 73 Ca -0.04 -1.63 -0.41 0.00 -1.33 0.00 0.00 58.87 55.46 2avv n SER 73 Cb 0.50 1.28 -0.04 0.00 -0.75 0.00 0.00 64.21 65.20 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 -2.64 4.70 -0.07 2.46 2.01 -1.26 -0.71 115.64 120.12 2avv s THR 74 Ca 0.07 1.91 0.02 0.00 0.31 0.00 0.00 61.69 64.00 2avv s THR 74 Cb -0.01 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.26 2avv s THR 74 CO 0.05 0.28 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.45 2avv s VAL 75 N 0.32 1.18 -0.10 3.82 1.01 0.06 -4.57 120.40 122.12 2avv s VAL 75 Ca 0.45 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 2avv s VAL 75 Cb -0.22 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2avv s VAL 75 CO 0.27 0.37 0.19 -0.76 0.00 0.00 0.00 175.10 175.16 2avv s LEU 76 N 0.76 4.40 -0.13 3.92 1.43 -0.41 -0.79 118.68 127.85 2avv s LEU 76 Ca -0.13 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 2avv s LEU 76 Cb -0.16 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.91 2avv s LEU 76 CO 0.03 0.38 -0.17 -0.69 0.23 0.00 0.00 176.35 176.13 2avv s VAL 77 N -0.96 1.69 -0.01 -1.59 1.01 -0.14 -0.32 120.40 120.07 2avv s VAL 77 Ca 0.16 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 2avv s VAL 77 Cb -0.13 -1.53 0.03 0.00 0.00 0.00 0.00 36.38 34.75 2avv s VAL 77 CO 0.05 0.48 0.35 0.61 0.00 0.00 0.00 175.10 176.59 2avv n GLY 78 N 4.26 0.45 2.30 4.51 0.00 -0.68 -1.04 105.19 114.98 2avv n GLY 78 Ca -0.19 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.25 3.62 -2.75 1.61 -0.04 -1.26 -2.65 135.00 133.28 2avv n PRO 79 Ca 0.01 -2.22 -0.39 0.00 -0.04 0.00 0.00 63.50 60.86 2avv n PRO 79 Cb 0.15 -2.69 -0.06 0.00 -0.04 0.00 0.00 33.50 30.86 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 1.63 4.09 -0.32 0.52 -1.32 -1.26 -4.97 115.64 114.01 2avv s THR 80 Ca 0.68 2.04 0.27 0.00 -1.21 0.00 0.00 61.69 63.47 2avv s THR 80 Cb 0.20 -4.27 0.30 0.00 -1.51 0.00 0.00 72.50 67.22 2avv s THR 80 CO -0.06 0.44 1.80 1.55 -2.21 0.00 0.00 174.62 176.14 2avv h PRO 81 N 3.98 0.00 -3.29 7.08 0.13 -1.98 -3.43 132.00 134.48 2avv h PRO 81 Ca -0.45 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.53 2avv h PRO 81 Cb 1.20 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.11 2avv h PRO 81 CO 0.67 0.00 -0.43 0.54 -0.23 0.00 0.00 178.00 178.56 2avv s VAL 82 N -3.40 0.05 0.10 1.56 0.11 -1.26 -5.08 120.40 112.48 2avv s VAL 82 Ca 0.04 -0.41 -0.31 0.00 -2.93 0.00 0.00 61.98 58.37 2avv s VAL 82 Cb 0.09 -0.44 -0.07 0.00 -1.53 0.00 0.00 36.38 34.43 2avv s VAL 82 CO 0.48 -0.23 1.37 0.20 -3.33 0.00 0.00 175.10 173.58 2avv s ASN 83 N -0.88 6.86 -0.12 3.54 0.01 -1.26 -4.69 114.94 118.40 2avv s ASN 83 Ca -0.10 2.27 0.02 0.00 -0.71 0.00 0.00 52.86 54.35 2avv s ASN 83 Cb -0.05 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.04 2avv s ASN 83 CO 0.02 -0.63 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.16 2avv s ILE 84 N 1.18 1.72 -0.41 0.60 1.01 0.06 -0.54 121.20 124.82 2avv s ILE 84 Ca 0.64 -0.78 -0.15 0.00 0.00 0.00 0.00 60.65 60.36 2avv s ILE 84 Cb -0.36 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.59 2avv s ILE 84 CO 0.30 0.48 0.29 -0.63 0.00 0.00 0.00 174.94 175.38 2avv s ILE 85 N 0.89 5.20 0.13 2.92 -1.09 0.15 -1.02 121.20 128.37 2avv s ILE 85 Ca -0.07 -0.67 0.02 0.00 -2.23 0.00 0.00 60.65 57.69 2avv s ILE 85 Cb -0.15 -3.90 0.02 0.00 -1.58 0.00 0.00 42.46 36.85 2avv s ILE 85 CO -0.01 -0.30 0.17 0.61 -1.23 0.00 0.00 174.94 174.18 2avv n GLY 86 N 5.15 1.67 0.26 6.18 0.00 -1.20 -0.83 105.19 116.41 2avv n GLY 86 Ca -0.11 -2.11 0.10 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 -0.40 1.61 3.08 -0.96 -0.41 114.38 117.31 2avv h ARG 87 Ca -0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2avv h ARG 87 Cb 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2avv h ARG 87 CO 0.08 0.09 0.20 -2.95 -1.07 0.00 0.00 179.97 176.32 2avv h ASN 88 N 0.00 0.48 0.16 7.04 -1.07 -1.83 -1.64 115.58 118.72 2avv h ASN 88 Ca -0.00 -0.03 -0.31 0.00 0.07 0.00 0.00 56.30 56.02 2avv h ASN 88 Cb 0.18 -0.12 -0.06 0.00 -2.07 0.00 0.00 38.32 36.25 2avv h ASN 88 CO 0.01 0.41 -2.14 0.18 0.07 0.00 0.00 177.43 175.96 2avv n LEU 89 N -4.42 0.25 -0.30 6.14 4.77 -0.57 -3.76 117.00 119.11 2avv n LEU 89 Ca 0.03 0.12 -0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2avv n LEU 89 Cb 0.11 0.36 0.19 0.00 -2.33 0.00 0.00 43.42 41.75 2avv n LEU 89 CO 0.36 0.41 1.27 -0.07 -1.33 0.00 0.00 177.39 178.03 2avv h LEU 90 N 0.00 1.00 -0.81 2.23 3.38 -0.98 -0.86 115.31 119.26 2avv h LEU 90 Ca -0.42 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 2avv h LEU 90 Cb 2.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.54 2avv h LEU 90 CO 0.04 0.71 0.10 0.71 0.09 0.00 0.00 178.44 180.09 2avv h THR 91 N 1.17 1.25 -0.03 0.22 1.35 -1.47 -0.83 112.91 114.58 2avv h THR 91 Ca 0.33 -0.98 -0.09 0.00 -0.55 0.00 0.00 66.41 65.12 2avv h THR 91 Cb -0.10 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 66.98 2avv h THR 91 CO -0.08 0.36 -0.41 1.56 -0.25 0.00 0.00 175.52 176.70 2avv h GLN 92 N 0.93 0.06 -0.22 4.72 4.20 -1.30 -1.90 115.11 121.62 2avv h GLN 92 Ca 0.19 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2avv h GLN 92 Cb 0.40 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2avv h GLN 92 CO 0.01 0.47 0.00 0.44 -0.67 0.00 0.00 178.83 179.08 2avv n ILE 93 N -4.04 0.27 -1.81 2.54 -5.35 -0.54 -4.93 119.36 105.51 2avv n ILE 93 Ca -0.02 -0.44 -0.04 0.00 -0.27 0.00 0.00 62.75 61.98 2avv n ILE 93 Cb 0.45 0.53 -0.01 0.00 -1.74 0.00 0.00 39.64 38.87 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 1.22 0.34 3.78 3.28 0.00 -0.72 -5.01 105.19 108.08 2avv n GLY 94 Ca 0.17 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.19 3.09 0.07 4.61 0.00 -0.37 -5.03 121.76 121.95 2avv s ALA 95 Ca 0.00 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.68 2avv s ALA 95 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 2avv s ALA 95 CO 0.00 -0.19 -0.11 0.95 0.00 0.00 0.00 175.76 176.41 2avv s THR 96 N -1.67 0.88 -0.23 0.00 -4.23 -1.26 -4.75 115.64 104.38 2avv s THR 96 Ca 0.58 -1.39 -0.07 0.00 -1.18 0.00 0.00 61.69 59.62 2avv s THR 96 Cb -0.22 -1.07 -0.03 0.00 1.34 0.00 0.00 72.50 72.52 2avv s THR 96 CO 0.27 -0.41 0.06 -0.22 -0.54 0.00 0.00 174.62 173.78 2avv s LEU 97 N -2.00 3.48 -0.06 4.79 2.96 -1.26 -5.08 118.68 121.50 2avv s LEU 97 Ca -0.01 -0.16 0.06 0.00 -0.22 0.00 0.00 54.13 53.80 2avv s LEU 97 Cb -0.07 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 2avv s LEU 97 CO 0.01 0.02 -0.24 0.20 -1.32 0.00 0.00 176.35 175.01 2avv s ASN 98 N 1.31 2.96 0.00 3.68 0.02 -1.26 -5.29 114.94 116.36 2avv s ASN 98 Ca 0.05 -0.50 0.00 0.00 -1.02 0.00 0.00 52.86 51.39 2avv s ASN 98 Cb -0.15 -0.89 0.00 0.00 0.02 0.00 0.00 41.25 40.23 2avv s ASN 98 CO 0.03 0.22 0.00 2.22 0.02 0.00 0.00 177.10 179.59