#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 3.65 -0.17 0.54 0.74 -1.26 -5.08 119.66 118.08 2avv s GLN 2 Ca 0.00 -0.49 0.01 0.00 0.05 0.00 0.00 55.36 54.94 2avv s GLN 2 Cb 0.00 -3.26 0.02 0.00 1.10 0.00 0.00 33.01 30.86 2avv s GLN 2 CO 0.00 -0.14 -0.20 0.42 -0.55 0.00 0.00 175.29 174.82 2avv s ILE 3 N 1.45 2.13 0.75 -2.34 1.01 -1.26 -5.11 121.20 117.84 2avv s ILE 3 Ca 0.05 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 2avv s ILE 3 Cb -0.15 -1.88 0.04 0.00 0.01 0.00 0.00 42.46 40.48 2avv s ILE 3 CO 0.03 0.54 1.10 0.42 0.00 0.00 0.00 174.94 177.02 2avv s THR 4 N 1.14 3.28 -0.16 2.92 -4.23 -1.26 -5.00 115.64 112.33 2avv s THR 4 Ca 0.01 0.42 0.17 0.00 -1.18 0.00 0.00 61.69 61.11 2avv s THR 4 Cb -0.14 -3.28 0.35 0.00 1.34 0.00 0.00 72.50 70.77 2avv s THR 4 CO -0.09 -0.54 1.23 0.18 -0.54 0.00 0.00 174.62 174.86 2avv n LEU 5 N -3.22 2.84 -0.00 4.79 4.77 -1.26 -4.61 117.00 120.31 2avv n LEU 5 Ca 0.07 -2.97 0.08 0.00 -0.03 0.00 0.00 56.01 53.16 2avv n LEU 5 Cb 0.57 -0.44 0.48 0.00 -2.33 0.00 0.00 43.42 41.70 2avv n LEU 5 CO 0.57 0.69 1.16 -0.50 -1.33 0.00 0.00 177.39 177.98 2avv h TRP 6 N 0.65 0.43 -2.62 -1.77 4.06 -2.06 -3.43 115.95 111.19 2avv h TRP 6 Ca 0.00 0.01 -0.50 0.00 2.06 0.00 0.00 58.89 60.46 2avv h TRP 6 Cb 1.11 -0.14 -0.14 0.00 -1.00 0.00 0.00 29.16 28.99 2avv h TRP 6 CO 0.17 0.24 -0.67 0.15 -3.56 0.00 0.00 178.44 174.77 2avv s LYS 7 N -5.41 1.57 0.22 0.49 1.02 -1.26 -5.10 119.74 111.26 2avv s LYS 7 Ca -0.08 -1.80 -0.32 0.00 0.02 0.00 0.00 55.97 53.80 2avv s LYS 7 Cb 0.18 -1.16 -0.14 0.00 -0.52 0.00 0.00 37.83 36.19 2avv s LYS 7 CO 0.73 0.03 1.41 0.54 -0.92 0.00 0.00 175.35 177.14 2avv n ARG 8 N -0.60 1.95 -2.64 1.68 1.74 -1.26 -4.86 116.66 112.67 2avv n ARG 8 Ca -0.05 0.70 -0.43 0.00 -0.77 0.00 0.00 57.85 57.30 2avv n ARG 8 Cb 0.64 -2.36 -0.01 0.00 -1.02 0.00 0.00 32.46 29.71 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 -0.16 3.87 -0.05 5.56 0.04 -1.26 -4.97 135.00 138.04 2avv s PRO 9 Ca 0.71 -1.82 -0.09 0.00 0.04 0.00 0.00 61.00 59.83 2avv s PRO 9 Cb -0.68 -5.40 -0.05 0.00 0.04 0.00 0.00 34.50 28.41 2avv s PRO 9 CO 0.48 -2.16 0.26 -0.51 0.04 0.00 0.00 177.00 175.11 2avv s LEU 10 N 4.02 4.41 0.17 -3.56 1.43 -1.26 -0.99 118.68 122.90 2avv s LEU 10 Ca 0.49 0.66 0.01 0.00 -1.03 0.00 0.00 54.13 54.26 2avv s LEU 10 Cb 0.02 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 2avv s LEU 10 CO 0.01 0.34 0.03 0.68 0.23 0.00 0.00 176.35 177.64 2avv s VAL 11 N -1.12 0.47 0.02 -1.59 -7.23 0.43 -4.94 120.40 106.45 2avv s VAL 11 Ca 0.21 -1.96 -0.21 0.00 -1.81 0.00 0.00 61.98 58.21 2avv s VAL 11 Cb -0.14 -2.15 -0.06 0.00 0.56 0.00 0.00 36.38 34.59 2avv s VAL 11 CO 0.10 -0.42 0.63 -0.89 -0.31 0.00 0.00 175.10 174.21 2avv s THR 12 N -3.80 4.83 0.25 5.32 2.01 -1.26 -0.34 115.64 122.65 2avv s THR 12 Ca 0.26 1.33 0.08 0.00 0.31 0.00 0.00 61.69 63.66 2avv s THR 12 Cb 0.07 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 2avv s THR 12 CO 0.04 0.43 -0.12 0.27 -0.69 0.00 0.00 174.62 174.56 2avv s ILE 13 N -0.34 1.82 -0.13 1.82 -4.36 0.12 -1.47 121.20 118.66 2avv s ILE 13 Ca 0.32 -2.21 0.01 0.00 -0.26 0.00 0.00 60.65 58.51 2avv s ILE 13 Cb -0.19 -2.25 0.02 0.00 1.25 0.00 0.00 42.46 41.29 2avv s ILE 13 CO 0.19 -0.45 -0.15 -0.75 0.24 0.00 0.00 174.94 174.02 2avv s LYS 14 N -3.65 2.28 -0.09 0.37 2.20 -0.08 -1.19 119.74 119.57 2avv s LYS 14 Ca 0.26 -0.56 -0.06 0.00 -0.36 0.00 0.00 55.97 55.25 2avv s LYS 14 Cb 0.00 -2.03 0.04 0.00 -1.51 0.00 0.00 37.83 34.33 2avv s LYS 14 CO 0.10 -0.16 0.23 -1.50 -0.36 0.00 0.00 175.35 173.66 2avv s ILE 15 N 1.28 -0.02 -1.93 5.43 2.07 -0.36 -1.56 121.20 126.11 2avv s ILE 15 Ca 0.00 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 2avv s ILE 15 Cb -0.14 -0.35 0.00 0.00 0.13 0.00 0.00 42.46 42.11 2avv s ILE 15 CO -0.07 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.61 2avv n GLY 16 N 3.68 0.93 2.07 1.50 0.00 -1.26 -1.25 105.19 110.86 2avv n GLY 16 Ca -0.20 0.00 -0.00 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 -0.61 0.47 3.32 -0.02 0.00 -1.26 -5.04 105.19 102.05 2avv n GLY 17 Ca -0.21 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.33 2.17 0.00 1.61 -1.52 -0.38 -5.12 119.66 116.09 2avv s GLN 18 Ca 0.00 -0.91 -0.18 0.00 -1.95 0.00 0.00 55.36 52.32 2avv s GLN 18 Cb 0.00 -2.08 -0.06 0.00 -0.22 0.00 0.00 33.01 30.65 2avv s GLN 18 CO 0.00 0.56 0.52 -0.51 -0.25 0.00 0.00 175.29 175.61 2avv s LEU 19 N -0.60 4.45 0.18 2.90 1.43 -1.26 -1.22 118.68 124.55 2avv s LEU 19 Ca 0.10 1.09 -0.08 0.00 -1.03 0.00 0.00 54.13 54.20 2avv s LEU 19 Cb -0.10 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 2avv s LEU 19 CO -0.01 0.20 0.28 -0.54 0.23 0.00 0.00 176.35 176.52 2avv s LYS 20 N -0.61 1.19 -0.04 1.70 1.02 -0.33 -4.98 119.74 117.70 2avv s LYS 20 Ca 0.27 -1.24 -0.09 0.00 0.02 0.00 0.00 55.97 54.93 2avv s LYS 20 Cb -0.18 0.37 -0.05 0.00 -0.52 0.00 0.00 37.83 37.46 2avv s LYS 20 CO 0.16 -0.44 0.27 -1.21 -0.92 0.00 0.00 175.35 173.21 2avv s GLU 21 N -4.00 3.63 0.05 1.68 0.41 -1.26 0.11 118.70 119.33 2avv s GLU 21 Ca 0.20 0.04 -0.07 0.00 -0.41 0.00 0.00 54.97 54.74 2avv s GLU 21 Cb 0.03 -3.15 -0.01 0.00 -1.78 0.00 0.00 34.13 29.22 2avv s GLU 21 CO 0.02 0.70 0.13 0.00 -0.49 0.00 0.00 175.26 175.62 2avv s ALA 22 N -1.15 -0.10 -0.23 5.21 0.00 0.54 -4.45 121.76 121.58 2avv s ALA 22 Ca 0.22 -0.60 -0.16 0.00 0.00 0.00 0.00 51.96 51.43 2avv s ALA 22 Cb -0.14 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 2avv s ALA 22 CO 0.11 -0.39 0.41 -1.17 0.00 0.00 0.00 175.76 174.72 2avv s LEU 23 N -2.43 4.11 -0.30 0.00 2.96 0.28 -0.43 118.68 122.87 2avv s LEU 23 Ca -0.01 0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 54.08 2avv s LEU 23 Cb 0.02 -2.52 0.01 0.00 0.50 0.00 0.00 46.19 44.20 2avv s LEU 23 CO -0.07 -0.13 1.23 -0.76 -1.32 0.00 0.00 176.35 175.30 2avv s LEU 24 N 1.64 3.91 -0.35 -0.68 1.43 -0.16 -0.85 118.68 123.62 2avv s LEU 24 Ca 0.18 1.18 0.01 0.00 -1.03 0.00 0.00 54.13 54.48 2avv s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.63 2avv s LEU 24 CO 0.09 -1.01 0.11 -0.62 0.23 0.00 0.00 176.35 175.15 2avv s ASP 25 N 2.41 4.24 0.49 2.29 -1.08 -0.04 -4.79 116.67 120.18 2avv s ASP 25 Ca 0.53 -2.00 0.32 0.00 -0.52 0.00 0.00 52.55 50.88 2avv s ASP 25 Cb -0.16 -1.17 1.45 0.00 -1.46 0.00 0.00 42.92 41.58 2avv s ASP 25 CO 0.21 -0.38 1.97 0.71 0.52 0.00 0.00 175.17 178.20 2avv h THR 26 N 6.32 0.00 -0.00 1.71 1.35 -1.94 -2.34 112.91 118.01 2avv h THR 26 Ca -0.09 -0.32 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 68.64 2avv h THR 26 CO 0.50 0.00 -0.21 0.61 -0.25 0.00 0.00 175.52 176.16 2avv n GLY 27 N -0.25 -1.25 3.60 5.82 0.00 -1.26 -4.83 105.19 107.01 2avv n GLY 27 Ca 0.00 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.86 3.57 0.30 4.61 0.00 -0.88 -4.96 121.76 121.53 2avv s ALA 28 Ca 0.17 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2avv s ALA 28 Cb 0.19 -2.82 0.46 0.00 0.00 0.00 0.00 23.12 20.94 2avv s ALA 28 CO 0.58 -0.76 1.84 -0.44 0.00 0.00 0.00 175.76 176.98 2avv h ASP 29 N 8.14 0.70 -2.66 0.00 3.32 -1.88 0.11 116.42 124.15 2avv h ASP 29 Ca -0.30 -0.12 -0.53 0.00 0.02 0.00 0.00 57.03 56.10 2avv h ASP 29 Cb 1.15 -0.18 -0.14 0.00 0.22 0.00 0.00 39.33 40.38 2avv h ASP 29 CO 0.69 0.70 -0.61 -1.81 -1.72 0.00 0.00 179.24 176.49 2avv s ASP 30 N -6.62 2.94 -0.25 6.45 1.01 -1.26 -3.51 116.67 115.43 2avv s ASP 30 Ca -0.09 -1.37 -0.10 0.00 0.71 0.00 0.00 52.55 51.70 2avv s ASP 30 Cb 0.16 -0.20 -0.04 0.00 1.01 0.00 0.00 42.92 43.84 2avv s ASP 30 CO 0.79 -0.54 0.14 -0.89 0.21 0.00 0.00 175.17 174.87 2avv s THR 31 N -3.07 5.04 -0.10 -1.27 2.01 -1.26 -3.39 115.64 113.60 2avv s THR 31 Ca 0.36 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.45 2avv s THR 31 Cb 0.09 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.26 2avv s THR 31 CO 0.16 0.33 -0.13 0.54 -0.69 0.00 0.00 174.62 174.83 2avv s VAL 32 N 1.30 1.35 -0.05 3.82 0.11 -0.46 -1.00 120.40 125.46 2avv s VAL 32 Ca 0.06 -0.55 0.01 0.00 -2.93 0.00 0.00 61.98 58.57 2avv s VAL 32 Cb -0.14 -1.25 -0.03 0.00 -1.53 0.00 0.00 36.38 33.43 2avv s VAL 32 CO 0.06 0.41 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.55 2avv s ILE 33 N 1.03 3.76 0.68 7.04 -1.09 0.42 -0.36 121.20 132.67 2avv s ILE 33 Ca -0.07 -0.53 -0.17 0.00 -2.23 0.00 0.00 60.65 57.65 2avv s ILE 33 Cb -0.15 -2.57 -0.01 0.00 -1.58 0.00 0.00 42.46 38.16 2avv s ILE 33 CO -0.01 0.54 1.04 -0.62 -1.23 0.00 0.00 174.94 174.66 2avv n GLU 34 N 2.03 0.73 -1.62 2.79 1.02 -1.26 -1.74 120.64 122.59 2avv n GLU 34 Ca -0.17 0.30 -0.54 0.00 -0.02 0.00 0.00 57.16 56.73 2avv n GLU 34 Cb 0.53 -2.28 -0.07 0.00 -0.02 0.00 0.00 31.44 29.60 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 -1.70 1.03 -3.56 3.49 1.02 -1.13 -4.64 120.64 115.16 2avv n GLU 35 Ca 0.14 0.37 -0.13 0.00 -0.02 0.00 0.00 57.16 57.52 2avv n GLU 35 Cb 0.49 -2.01 -0.05 0.00 -0.02 0.00 0.00 31.44 29.85 2avv n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2avv s MET 36 N 1.28 1.08 -0.16 3.49 0.23 -1.26 -5.03 119.30 118.92 2avv s MET 36 Ca 0.89 -0.35 -0.28 0.00 -1.03 0.00 0.00 55.69 54.92 2avv s MET 36 Cb -1.02 0.49 -0.01 0.00 -1.53 0.00 0.00 34.83 32.76 2avv s MET 36 CO 0.53 -0.41 0.96 -1.12 -2.03 0.00 0.00 175.02 172.95 2avv s SER 37 N -2.23 7.11 -0.14 -1.18 0.01 -1.26 -5.00 113.70 111.00 2avv s SER 37 Ca -0.03 1.37 -0.00 0.00 1.31 0.00 0.00 55.95 58.60 2avv s SER 37 Cb -0.00 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.74 2avv s SER 37 CO -0.05 -0.50 -0.08 -0.22 0.41 0.00 0.00 173.24 172.80 2avv s LEU 38 N 2.40 1.46 0.68 2.44 2.96 -1.26 -5.03 118.68 122.33 2avv s LEU 38 Ca 0.44 -0.48 -0.14 0.00 -0.22 0.00 0.00 54.13 53.72 2avv s LEU 38 Cb -0.17 -0.94 0.01 0.00 0.50 0.00 0.00 46.19 45.60 2avv s LEU 38 CO 0.13 -0.13 1.12 -2.16 -1.32 0.00 0.00 176.35 173.98 2avv s PRO 39 N 1.63 2.64 0.00 0.98 0.04 -1.26 -4.93 135.00 134.10 2avv s PRO 39 Ca 0.03 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2avv s PRO 39 Cb -0.14 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2avv s PRO 39 CO -0.08 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 175.99 2avv n GLY 40 N -0.51 2.97 3.76 0.56 0.00 -1.26 -5.07 105.19 105.64 2avv n GLY 40 Ca 0.10 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.45 4.46 0.14 1.61 0.52 -1.26 -5.06 118.95 116.90 2avv s ARG 41 Ca 0.00 2.03 -0.06 0.00 -0.52 0.00 0.00 55.73 57.18 2avv s ARG 41 Cb 0.00 -3.14 -0.02 0.00 0.52 0.00 0.00 34.95 32.31 2avv s ARG 41 CO 0.00 -0.06 0.18 1.67 0.02 0.00 0.00 175.30 177.11 2avv s TRP 42 N -0.86 0.54 0.02 -0.53 1.48 -1.26 -4.32 118.94 114.01 2avv s TRP 42 Ca 0.49 -0.92 0.05 0.00 -1.06 0.00 0.00 56.10 54.65 2avv s TRP 42 Cb -0.36 -0.22 -0.02 0.00 -1.16 0.00 0.00 33.47 31.71 2avv s TRP 42 CO 0.45 -0.62 -0.14 -1.59 -4.06 0.00 0.00 176.95 171.00 2avv s LYS 43 N -3.98 1.02 0.29 3.25 -2.85 -0.50 -4.91 119.74 112.07 2avv s LYS 43 Ca 0.18 -0.65 -0.29 0.00 -1.00 0.00 0.00 55.97 54.21 2avv s LYS 43 Cb 0.05 -1.02 -0.09 0.00 -2.06 0.00 0.00 37.83 34.71 2avv s LYS 43 CO -0.01 0.26 1.06 -1.25 0.10 0.00 0.00 175.35 175.52 2avv s PRO 44 N -0.80 4.61 0.15 1.78 0.04 -1.26 -0.16 135.00 139.36 2avv s PRO 44 Ca 0.03 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.72 2avv s PRO 44 Cb -0.07 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 2avv s PRO 44 CO 0.01 0.22 0.19 0.15 0.04 0.00 0.00 177.00 177.60 2avv s LYS 45 N -1.55 1.06 -0.01 4.56 -0.14 -0.57 -4.90 119.74 118.19 2avv s LYS 45 Ca 0.46 -1.27 0.07 0.00 -1.36 0.00 0.00 55.97 53.87 2avv s LYS 45 Cb -0.29 0.32 -0.02 0.00 -1.68 0.00 0.00 37.83 36.16 2avv s LYS 45 CO 0.38 -0.36 -0.23 -1.64 -0.76 0.00 0.00 175.35 172.74 2avv s MET 46 N -4.00 1.78 0.03 1.68 -1.94 -1.26 -0.51 119.30 115.08 2avv s MET 46 Ca 0.19 -0.85 0.03 0.00 -1.71 0.00 0.00 55.69 53.35 2avv s MET 46 Cb 0.05 -1.76 -0.02 0.00 2.01 0.00 0.00 34.83 35.11 2avv s MET 46 CO 0.00 0.48 -0.09 0.96 -0.01 0.00 0.00 175.02 176.37 2avv s ILE 47 N -0.58 0.65 -0.12 2.53 -4.36 -0.49 -4.97 121.20 113.84 2avv s ILE 47 Ca 0.09 -0.77 -0.03 0.00 -0.26 0.00 0.00 60.65 59.68 2avv s ILE 47 Cb -0.09 -0.63 -0.03 0.00 1.25 0.00 0.00 42.46 42.97 2avv s ILE 47 CO -0.00 -0.11 -0.03 -0.83 0.24 0.00 0.00 174.94 174.21 2avv s GLY 48 N -0.97 1.76 0.00 6.27 0.00 -1.26 -1.11 107.32 112.01 2avv s GLY 48 Ca -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.87 2avv s GLY 48 CO 0.00 -0.32 0.00 0.61 0.00 0.00 0.00 173.10 173.40 2avv n GLY 49 N 2.89 3.97 3.80 0.20 0.00 0.53 -4.97 105.19 111.61 2avv n GLY 49 Ca -0.18 -2.18 -0.32 0.00 0.00 0.00 0.00 46.02 43.34 2avv n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2avv s ILE 50 N -0.51 3.82 0.00 -0.61 2.07 -1.26 -3.03 121.20 121.68 2avv s ILE 50 Ca 0.00 0.79 0.00 0.00 -1.41 0.00 0.00 60.65 60.03 2avv s ILE 50 Cb 0.00 -3.36 0.00 0.00 0.13 0.00 0.00 42.46 39.23 2avv s ILE 50 CO 0.00 -0.58 0.00 0.61 -1.91 0.00 0.00 174.94 173.06 2avv n GLY 51 N -1.19 2.14 0.00 1.50 0.00 -1.26 -4.91 105.19 101.47 2avv n GLY 51 Ca 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 -2.42 3.89 -0.02 0.00 -1.17 -5.11 105.19 100.36 2avv n GLY 52 Ca 0.00 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.11 3.54 0.13 1.61 0.40 -1.26 -0.35 117.98 119.94 2avv s PHE 53 Ca 0.00 0.56 0.08 0.00 -0.60 0.00 0.00 56.93 56.97 2avv s PHE 53 Cb 0.00 -1.99 -0.04 0.00 0.51 0.00 0.00 43.02 41.50 2avv s PHE 53 CO 0.00 0.54 -0.19 0.96 0.70 0.00 0.00 175.22 177.22 2avv s ILE 54 N -1.46 1.76 0.00 0.64 -4.36 -0.27 -4.96 121.20 112.56 2avv s ILE 54 Ca 0.34 -1.74 -0.25 0.00 -0.26 0.00 0.00 60.65 58.74 2avv s ILE 54 Cb -0.13 -1.70 -0.05 0.00 1.25 0.00 0.00 42.46 41.83 2avv s ILE 54 CO 0.21 -0.20 0.76 -0.75 0.24 0.00 0.00 174.94 175.20 2avv s LYS 55 N -2.37 4.48 0.15 0.37 2.20 -1.26 -1.40 119.74 121.91 2avv s LYS 55 Ca 0.11 1.03 0.04 0.00 -0.36 0.00 0.00 55.97 56.79 2avv s LYS 55 Cb -0.08 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 2avv s LYS 55 CO 0.05 0.19 -0.07 0.14 -0.36 0.00 0.00 175.35 175.30 2avv s VAL 56 N 0.30 1.02 -0.23 4.02 -7.23 0.34 -4.43 120.40 114.19 2avv s VAL 56 Ca 0.39 -2.03 -0.19 0.00 -1.81 0.00 0.00 61.98 58.34 2avv s VAL 56 Cb -0.20 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.81 2avv s VAL 56 CO 0.22 -0.69 0.58 -0.13 -0.31 0.00 0.00 175.10 174.77 2avv s ARG 57 N -3.79 4.14 -0.37 4.82 0.52 0.42 -1.52 118.95 123.18 2avv s ARG 57 Ca 0.18 0.49 -0.16 0.00 -0.52 0.00 0.00 55.73 55.71 2avv s ARG 57 Cb 0.04 -3.62 0.00 0.00 0.52 0.00 0.00 34.95 31.89 2avv s ARG 57 CO 0.01 -0.31 0.39 -1.14 0.02 0.00 0.00 175.30 174.28 2avv s GLN 58 N 2.15 3.40 -0.21 3.54 0.74 0.77 -0.42 119.66 129.63 2avv s GLN 58 Ca 0.25 -0.53 -0.07 0.00 0.05 0.00 0.00 55.36 55.06 2avv s GLN 58 Cb -0.16 -3.86 -0.03 0.00 1.10 0.00 0.00 33.01 30.06 2avv s GLN 58 CO 0.09 -0.64 0.06 0.71 -0.55 0.00 0.00 175.29 174.95 2avv s TYR 59 N 2.07 3.14 0.27 1.67 1.51 0.12 -1.41 117.35 124.72 2avv s TYR 59 Ca 0.12 -0.19 -0.04 0.00 -1.01 0.00 0.00 57.07 55.94 2avv s TYR 59 Cb -0.17 -2.14 -0.05 0.00 -0.11 0.00 0.00 41.96 39.49 2avv s TYR 59 CO 0.12 -0.11 0.52 -0.51 -1.11 0.00 0.00 175.55 174.46 2avv s ASP 60 N 0.97 6.44 -1.40 2.29 1.01 -1.26 -0.88 116.67 123.84 2avv s ASP 60 Ca 0.03 0.66 -0.05 0.00 0.71 0.00 0.00 52.55 53.90 2avv s ASP 60 Cb -0.14 -2.12 0.03 0.00 1.01 0.00 0.00 42.92 41.70 2avv s ASP 60 CO 0.03 -0.16 0.75 0.00 0.21 0.00 0.00 175.17 176.00 2avv n GLN 61 N -0.85 -4.83 -3.30 8.23 6.02 -1.18 -4.89 117.38 116.58 2avv n GLN 61 Ca -0.02 0.58 -0.38 0.00 -0.01 0.00 0.00 57.00 57.16 2avv n GLN 61 Cb 0.54 -5.18 -0.06 0.00 1.02 0.00 0.00 30.24 26.56 2avv n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2avv s ILE 62 N -3.59 5.07 0.02 5.09 -1.09 -0.25 -4.80 121.20 121.66 2avv s ILE 62 Ca 0.23 1.04 -0.30 0.00 -2.23 0.00 0.00 60.65 59.39 2avv s ILE 62 Cb -0.12 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.87 2avv s ILE 62 CO 0.83 0.39 1.27 -0.63 -1.23 0.00 0.00 174.94 175.57 2avv s ILE 63 N 0.10 3.94 -0.11 2.92 1.09 -1.26 -1.54 121.20 126.34 2avv s ILE 63 Ca 0.27 1.35 -0.11 0.00 -1.10 0.00 0.00 60.65 61.07 2avv s ILE 63 Cb -0.16 -3.87 0.03 0.00 -1.06 0.00 0.00 42.46 37.40 2avv s ILE 63 CO 0.13 0.05 0.31 -0.51 -0.10 0.00 0.00 174.94 174.82 2avv s ILE 64 N 1.70 -0.00 -0.12 2.92 2.07 -0.59 -4.48 121.20 122.69 2avv s ILE 64 Ca 0.60 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.83 2avv s ILE 64 Cb -0.29 -0.43 -0.02 0.00 0.13 0.00 0.00 42.46 41.84 2avv s ILE 64 CO 0.27 0.00 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.52 2avv s GLU 65 N 0.18 3.31 -0.27 3.50 2.12 -0.60 -0.43 118.70 126.50 2avv s GLU 65 Ca -0.00 -0.58 0.02 0.00 0.36 0.00 0.00 54.97 54.77 2avv s GLU 65 Cb -0.02 -2.73 0.07 0.00 0.26 0.00 0.00 34.13 31.71 2avv s GLU 65 CO 0.00 0.36 -0.06 0.42 -0.54 0.00 0.00 175.26 175.44 2avv s ILE 66 N 0.01 1.97 -1.48 -3.70 -1.09 -0.01 -0.90 121.20 115.99 2avv s ILE 66 Ca -0.01 -1.62 -0.12 0.00 -2.23 0.00 0.00 60.65 56.67 2avv s ILE 66 Cb -0.14 -2.19 0.07 0.00 -1.58 0.00 0.00 42.46 38.62 2avv s ILE 66 CO 0.03 -0.15 0.85 0.00 -1.23 0.00 0.00 174.94 174.44 2avv n ALA 67 N 4.48 -1.20 -0.09 9.38 0.00 -0.54 -0.60 120.51 131.95 2avv n ALA 67 Ca -0.10 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2avv n ALA 67 Cb 0.43 -4.16 0.00 0.00 0.00 0.00 0.00 19.45 15.72 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 -1.59 1.22 3.59 0.00 0.00 -1.26 -5.03 105.19 102.12 2avv n GLY 68 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.53 3.23 0.02 1.61 3.76 0.23 -5.07 115.29 116.55 2avv s HIS 69 Ca 0.00 0.28 -0.24 0.00 -0.15 0.00 0.00 55.06 54.95 2avv s HIS 69 Cb 0.00 -2.56 -0.05 0.00 1.11 0.00 0.00 32.58 31.08 2avv s HIS 69 CO 0.00 -0.25 0.74 0.15 -0.85 0.00 0.00 174.74 174.52 2avv s LYS 70 N 2.01 4.46 0.20 1.40 1.02 -1.26 -0.83 119.74 126.74 2avv s LYS 70 Ca 0.13 1.00 -0.00 0.00 0.02 0.00 0.00 55.97 57.11 2avv s LYS 70 Cb -0.16 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 2avv s LYS 70 CO 0.10 0.25 0.11 0.00 -0.92 0.00 0.00 175.35 174.89 2avv s ALA 71 N 0.10 1.25 -0.07 5.17 0.00 0.42 -4.99 121.76 123.64 2avv s ALA 71 Ca 0.38 -1.70 -0.03 0.00 0.00 0.00 0.00 51.96 50.61 2avv s ALA 71 Cb -0.20 1.23 0.04 0.00 0.00 0.00 0.00 23.12 24.19 2avv s ALA 71 CO 0.21 -0.54 0.14 0.42 0.00 0.00 0.00 175.76 176.00 2avv s ILE 72 N -4.05 -0.19 0.26 0.00 1.01 -1.26 -1.55 121.20 115.42 2avv s ILE 72 Ca 0.36 0.32 -0.10 0.00 0.00 0.00 0.00 60.65 61.24 2avv s ILE 72 Cb 0.07 -0.26 0.04 0.00 0.01 0.00 0.00 42.46 42.32 2avv s ILE 72 CO 0.11 0.13 0.52 -0.24 0.00 0.00 0.00 174.94 175.46 2avv n SER 73 N 5.02 -1.51 -4.73 3.58 2.88 -0.59 -4.88 113.62 113.40 2avv n SER 73 Ca -0.10 -2.06 -0.41 0.00 -1.33 0.00 0.00 58.87 54.96 2avv n SER 73 Cb 0.50 2.52 -0.04 0.00 -0.75 0.00 0.00 64.21 66.44 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 -2.41 3.93 -0.07 2.46 2.01 -1.26 -1.09 115.64 119.22 2avv s THR 74 Ca 0.11 1.62 0.03 0.00 0.31 0.00 0.00 61.69 63.76 2avv s THR 74 Cb -0.03 -4.04 0.01 0.00 0.01 0.00 0.00 72.50 68.45 2avv s THR 74 CO 0.08 0.26 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.43 2avv s VAL 75 N -0.06 1.32 -0.06 3.82 1.01 -0.06 -4.58 120.40 121.79 2avv s VAL 75 Ca 0.50 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 2avv s VAL 75 Cb -0.29 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 2avv s VAL 75 CO 0.34 0.39 0.25 -0.76 0.00 0.00 0.00 175.10 175.32 2avv s LEU 76 N 0.49 4.42 -0.11 3.92 1.43 -0.17 -0.70 118.68 127.95 2avv s LEU 76 Ca -0.13 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 2avv s LEU 76 Cb -0.15 -2.33 0.02 0.00 0.03 0.00 0.00 46.19 43.76 2avv s LEU 76 CO 0.04 0.36 -0.15 -0.69 0.23 0.00 0.00 176.35 176.15 2avv s VAL 77 N -1.08 1.47 0.00 -1.59 1.01 0.44 -0.44 120.40 120.20 2avv s VAL 77 Ca 0.20 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2avv s VAL 77 Cb -0.14 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.89 2avv s VAL 77 CO 0.09 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2avv n GLY 78 N 4.26 0.48 2.48 4.51 0.00 -0.71 -0.43 105.19 115.78 2avv n GLY 78 Ca -0.19 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 3.21 -3.37 1.61 -0.04 -1.26 -2.82 135.00 132.33 2avv n PRO 79 Ca 0.00 -2.18 -0.36 0.00 -0.04 0.00 0.00 63.50 60.91 2avv n PRO 79 Cb 0.00 -2.87 -0.06 0.00 -0.04 0.00 0.00 33.50 30.53 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 2.69 4.87 -0.85 0.52 -1.32 -1.26 -5.00 115.64 115.28 2avv s THR 80 Ca 0.60 0.87 0.27 0.00 -1.21 0.00 0.00 61.69 62.23 2avv s THR 80 Cb 0.16 -3.76 0.26 0.00 -1.51 0.00 0.00 72.50 67.66 2avv s THR 80 CO -0.06 0.34 1.84 -0.81 -2.21 0.00 0.00 174.62 173.73 2avv n PRO 81 N 1.09 0.14 -3.85 7.08 -0.04 -1.26 -4.59 135.00 133.56 2avv n PRO 81 Ca -0.07 0.12 -0.12 0.00 -0.04 0.00 0.00 63.50 63.39 2avv n PRO 81 Cb 0.52 -1.67 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 2avv n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2avv s VAL 82 N -3.06 -0.00 0.01 0.52 1.01 -1.26 -5.06 120.40 112.56 2avv s VAL 82 Ca 0.12 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 2avv s VAL 82 Cb 0.15 -0.07 -0.06 0.00 0.00 0.00 0.00 36.38 36.41 2avv s VAL 82 CO 0.56 0.00 1.47 0.20 0.00 0.00 0.00 175.10 177.34 2avv s ASN 83 N 0.07 6.78 -0.16 3.32 0.01 -1.26 -4.63 114.94 119.07 2avv s ASN 83 Ca -0.00 2.20 0.02 0.00 -0.71 0.00 0.00 52.86 54.36 2avv s ASN 83 Cb -0.01 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.11 2avv s ASN 83 CO -0.00 -0.77 -0.21 -0.63 -1.51 0.00 0.00 177.10 173.98 2avv s ILE 84 N 2.57 2.09 -0.41 0.60 1.01 0.51 -0.55 121.20 127.02 2avv s ILE 84 Ca 0.67 -0.95 -0.16 0.00 0.00 0.00 0.00 60.65 60.20 2avv s ILE 84 Cb -0.33 -1.85 0.02 0.00 0.01 0.00 0.00 42.46 40.30 2avv s ILE 84 CO 0.28 0.54 0.39 -0.63 0.00 0.00 0.00 174.94 175.52 2avv s ILE 85 N 1.01 5.14 0.35 2.92 -1.09 -0.03 -1.36 121.20 128.14 2avv s ILE 85 Ca -0.02 -0.39 0.02 0.00 -2.23 0.00 0.00 60.65 58.03 2avv s ILE 85 Cb -0.14 -3.99 0.06 0.00 -1.58 0.00 0.00 42.46 36.81 2avv s ILE 85 CO -0.06 -0.36 0.48 0.61 -1.23 0.00 0.00 174.94 174.38 2avv n GLY 86 N 5.11 1.32 0.25 6.18 0.00 -1.22 -0.86 105.19 115.97 2avv n GLY 86 Ca -0.08 -2.09 0.10 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.73 1.61 3.08 -0.84 -0.65 114.38 116.86 2avv h ARG 87 Ca -0.16 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.91 2avv h ARG 87 Cb 0.66 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.67 2avv h ARG 87 CO 0.20 0.12 0.49 -2.95 -1.07 0.00 0.00 179.97 176.75 2avv h ASN 88 N 0.00 0.82 0.37 7.04 -1.07 -1.83 -1.97 115.58 118.94 2avv h ASN 88 Ca -0.00 -0.02 -0.15 0.00 0.07 0.00 0.00 56.30 56.20 2avv h ASN 88 Cb 0.26 -0.20 -0.03 0.00 -2.07 0.00 0.00 38.32 36.28 2avv h ASN 88 CO 0.02 0.59 -1.77 0.18 0.07 0.00 0.00 177.43 176.51 2avv n LEU 89 N -4.43 0.42 -0.14 6.14 4.77 -0.64 -3.57 117.00 119.54 2avv n LEU 89 Ca 0.08 0.18 -0.01 0.00 -0.03 0.00 0.00 56.01 56.23 2avv n LEU 89 Cb 0.06 0.14 0.23 0.00 -2.33 0.00 0.00 43.42 41.52 2avv n LEU 89 CO 0.36 0.16 1.07 -0.07 -1.33 0.00 0.00 177.39 177.58 2avv h LEU 90 N 0.00 0.76 -0.66 2.23 3.38 -0.91 -1.92 115.31 118.19 2avv h LEU 90 Ca -0.19 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 2avv h LEU 90 Cb 1.52 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2avv h LEU 90 CO 0.02 0.68 0.05 0.71 0.09 0.00 0.00 178.44 179.99 2avv h THR 91 N 0.84 1.26 -0.47 0.22 1.35 -1.50 -1.66 112.91 112.95 2avv h THR 91 Ca 0.20 -1.10 -0.05 0.00 -0.55 0.00 0.00 66.41 64.91 2avv h THR 91 Cb 0.14 0.72 -0.02 0.00 -1.73 0.00 0.00 68.15 67.26 2avv h THR 91 CO -0.02 0.41 0.10 1.56 -0.25 0.00 0.00 175.52 177.32 2avv h GLN 92 N 1.00 0.72 -0.29 4.72 4.20 -1.43 -1.94 115.11 122.09 2avv h GLN 92 Ca 0.19 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2avv h GLN 92 Cb 0.51 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2avv h GLN 92 CO 0.02 0.66 0.00 0.44 -0.67 0.00 0.00 178.83 179.29 2avv n ILE 93 N -4.29 0.38 -2.17 2.54 -5.35 -0.79 -4.92 119.36 104.76 2avv n ILE 93 Ca 0.03 -0.45 -0.07 0.00 -0.27 0.00 0.00 62.75 61.99 2avv n ILE 93 Cb 0.22 0.32 -0.00 0.00 -1.74 0.00 0.00 39.64 38.44 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 1.13 0.10 3.82 3.28 0.00 -0.73 -5.01 105.19 107.77 2avv n GLY 94 Ca 0.14 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.39 3.11 0.08 4.61 0.00 -0.66 -5.04 121.76 121.46 2avv s ALA 95 Ca 0.01 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.38 2avv s ALA 95 Cb -0.00 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 2avv s ALA 95 CO 0.01 0.16 -0.09 0.95 0.00 0.00 0.00 175.76 176.79 2avv s THR 96 N -2.04 0.81 -0.25 0.00 -4.23 -1.26 -4.76 115.64 103.91 2avv s THR 96 Ca 0.59 -1.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.52 2avv s THR 96 Cb -0.11 -1.13 -0.05 0.00 1.34 0.00 0.00 72.50 72.55 2avv s THR 96 CO 0.16 -0.50 0.21 -0.22 -0.54 0.00 0.00 174.62 173.72 2avv s LEU 97 N -2.17 4.10 -0.08 4.79 2.96 -1.26 -5.09 118.68 121.93 2avv s LEU 97 Ca 0.01 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.11 2avv s LEU 97 Cb -0.05 -2.18 -0.00 0.00 0.50 0.00 0.00 46.19 44.46 2avv s LEU 97 CO -0.00 0.01 -0.24 0.20 -1.32 0.00 0.00 176.35 175.00 2avv s ASN 98 N 1.23 2.97 0.00 3.68 0.02 -1.26 -5.29 114.94 116.29 2avv s ASN 98 Ca 0.09 -0.52 0.00 0.00 -1.02 0.00 0.00 52.86 51.41 2avv s ASN 98 Cb -0.14 -1.13 0.00 0.00 0.02 0.00 0.00 41.25 40.00 2avv s ASN 98 CO 0.07 0.19 0.00 2.22 0.02 0.00 0.00 177.10 179.59