#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pav n ASP 2 N 0.00 3.83 0.00 3.17 2.03 -1.26 -4.18 116.55 120.13 1pav n ASP 2 Ca 0.00 -3.26 0.00 0.00 0.52 0.00 0.00 54.79 52.05 1pav n ASP 2 Cb 0.00 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 1pav n ASP 2 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1pav n VAL 3 N -0.56 0.00 -0.70 5.18 3.14 -1.26 -2.90 118.33 121.23 1pav n VAL 3 Ca 0.30 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.76 1pav n VAL 3 Cb 1.07 0.00 0.38 0.00 -1.06 0.00 0.00 33.84 34.23 1pav n VAL 3 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1pav n LYS 4 N 0.00 4.16 -2.52 1.45 4.81 -1.26 -4.96 118.16 119.84 1pav n LYS 4 Ca 0.00 -2.97 -0.38 0.00 -0.87 0.00 0.00 58.31 54.08 1pav n LYS 4 Cb 0.00 -2.03 -0.04 0.00 0.02 0.00 0.00 35.03 32.97 1pav n LYS 4 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1pav s PRO 5 N -2.17 4.42 -0.34 1.64 0.04 -1.14 -4.93 135.00 132.52 1pav s PRO 5 Ca 0.53 1.65 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 1pav s PRO 5 Cb 0.36 -2.88 0.06 0.00 0.04 0.00 0.00 34.50 32.08 1pav s PRO 5 CO 0.22 0.05 0.08 0.34 0.04 0.00 0.00 177.00 177.73 1pav s ASP 6 N -1.22 5.10 0.38 6.66 -1.08 -1.01 -4.00 116.67 121.49 1pav s ASP 6 Ca 0.51 -1.43 -0.14 0.00 -0.52 0.00 0.00 52.55 50.96 1pav s ASP 6 Cb -0.27 -1.79 0.05 0.00 -1.46 0.00 0.00 42.92 39.45 1pav s ASP 6 CO 0.34 -0.35 0.75 -0.60 0.52 0.00 0.00 175.17 175.83 1pav s ARG 7 N 1.27 2.18 -0.36 4.34 3.52 -1.26 -4.68 118.95 123.96 1pav s ARG 7 Ca -0.01 -1.46 -0.03 0.00 -0.13 0.00 0.00 55.73 54.10 1pav s ARG 7 Cb -0.21 0.60 0.08 0.00 -1.56 0.00 0.00 34.95 33.86 1pav s ARG 7 CO -0.01 -1.01 0.12 0.08 -0.81 0.00 0.00 175.30 173.67 1pav s VAL 8 N -2.47 3.29 -0.22 7.11 1.01 -1.26 -4.12 120.40 123.74 1pav s VAL 8 Ca 0.17 -1.64 -0.03 0.00 0.00 0.00 0.00 61.98 60.48 1pav s VAL 8 Cb -0.05 -3.06 0.11 0.00 0.00 0.00 0.00 36.38 33.39 1pav s VAL 8 CO 0.12 -0.39 0.30 -0.63 0.00 0.00 0.00 175.10 174.50 1pav s ILE 9 N 1.23 -0.47 -0.16 2.22 1.01 0.15 -4.96 121.20 120.22 1pav s ILE 9 Ca 0.02 -0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.47 1pav s ILE 9 Cb -0.21 -0.74 0.05 0.00 0.01 0.00 0.00 42.46 41.57 1pav s ILE 9 CO -0.02 -0.16 0.41 1.51 0.00 0.00 0.00 174.94 176.68 1pav s ASP 10 N 2.44 -0.48 -0.09 3.58 3.84 -1.25 0.34 116.67 125.05 1pav s ASP 10 Ca 0.10 0.86 -0.01 0.00 -0.00 0.00 0.00 52.55 53.50 1pav s ASP 10 Cb -0.16 0.79 0.03 0.00 -1.38 0.00 0.00 42.92 42.20 1pav s ASP 10 CO -0.14 -0.18 -0.01 0.00 -0.00 0.00 0.00 175.17 174.84 1pav s ALA 11 N 0.98 0.84 -0.46 2.11 0.00 9.97 -4.73 121.76 130.47 1pav s ALA 11 Ca -0.06 -0.24 -0.10 0.00 0.00 0.00 0.00 51.96 51.56 1pav s ALA 11 Cb -0.06 -0.80 0.10 0.00 0.00 0.00 0.00 23.12 22.36 1pav s ALA 11 CO -0.08 -0.49 0.33 1.03 0.00 0.00 0.00 175.76 176.55 1pav s ARG 12 N 1.92 2.61 0.00 0.00 3.00 -1.26 -1.57 118.95 123.65 1pav s ARG 12 Ca 0.05 -1.60 0.00 0.00 0.00 0.00 0.00 55.73 54.17 1pav s ARG 12 Cb -0.13 -3.92 0.00 0.00 0.00 0.00 0.00 34.95 30.91 1pav s ARG 12 CO -0.06 -1.10 0.00 0.41 0.00 0.00 0.00 175.30 174.56 1pav n GLY 13 N 4.97 0.53 0.30 -3.53 0.00 -1.26 -4.77 105.19 101.42 1pav n GLY 13 Ca -0.10 -0.87 0.09 0.00 0.00 0.00 0.00 46.02 45.15 1pav n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pav n SER 14 N 1.66 0.90 0.00 1.61 7.64 -1.26 -4.28 113.62 119.89 1pav n SER 14 Ca 0.00 -1.62 0.00 0.00 1.01 0.00 0.00 58.87 58.26 1pav n SER 14 Cb 0.11 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1pav n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pav n TYR 15 N -0.17 -0.14 0.00 1.43 0.18 -1.26 4.10 117.16 121.30 1pav n TYR 15 Ca 0.14 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.92 1pav n TYR 15 Cb 0.20 0.10 0.00 0.00 -0.38 0.00 0.00 39.34 39.26 1pav n TYR 15 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1pav n PRO 17 N 0.00 2.49 0.23 0.00 -0.04 0.49 0.27 135.00 138.45 1pav n PRO 17 Ca 0.00 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.61 1pav n PRO 17 Cb 0.00 0.00 0.82 0.00 -0.04 0.00 0.00 33.50 34.28 1pav n PRO 17 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1pav h GLY 18 N 0.00 0.00 2.00 0.55 0.00218.43 0.30 103.07 324.35 1pav h GLY 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pav h GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 174.99 1pav n PRO 19 N -3.97 0.01 -0.68 4.80 -0.04 -1.01 -3.55 135.00 130.56 1pav n PRO 19 Ca -0.00 0.13 0.52 0.00 -0.04 0.00 0.00 63.50 64.11 1pav n PRO 19 Cb 0.22 -1.51 0.82 0.00 -0.04 0.00 0.00 33.50 32.99 1pav n PRO 19 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1pav h LEU 20 N 0.00 0.01 0.00 1.53 6.46 -0.54 4.86 115.31 127.62 1pav h LEU 20 Ca 0.00 0.01 -0.11 0.00 -0.12 0.00 0.00 57.88 57.66 1pav h LEU 20 Cb 0.38 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 1pav h LEU 20 CO 0.00 -0.01 -1.36 0.23 -0.62 0.00 0.00 178.44 176.68 1pav n MET 21 N -3.98 0.62 -0.14 1.25 2.81 -1.23 -3.60 117.12 112.85 1pav n MET 21 Ca 0.43 0.15 0.27 0.00 -1.81 0.00 0.00 57.70 56.74 1pav n MET 21 Cb 1.97 -1.78 0.72 0.00 -0.71 0.00 0.00 33.22 33.41 1pav n MET 21 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1pav h GLU 22 N 0.00 0.00 0.02 0.03 3.07 0.95 1.67 114.58 120.31 1pav h GLU 22 Ca -0.11 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.66 1pav h GLU 22 Cb 1.37 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.29 1pav h GLU 22 CO 0.03 0.00 -0.37 -0.07 -1.40 0.00 0.00 179.01 177.19 1pav h LEU 23 N 0.00 0.29 -0.55 1.33 4.07 -1.65 0.44 115.31 119.25 1pav h LEU 23 Ca 0.39 -0.82 -0.09 0.00 0.08 0.00 0.00 57.88 57.43 1pav h LEU 23 Cb 1.57 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 43.20 1pav h LEU 23 CO -0.00 1.08 -0.02 0.16 -1.08 0.00 0.00 178.44 178.57 1pav h ILE 24 N -0.46 1.27 0.00 1.22 3.07 -0.74 0.04 117.51 121.90 1pav h ILE 24 Ca -0.05 -1.15 0.00 0.00 1.55 0.00 0.00 64.86 65.21 1pav h ILE 24 Cb 1.16 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 1pav h ILE 24 CO 0.07 0.41 0.00 2.29 -1.05 0.00 0.00 178.15 179.87 1pav n LYS 25 N -4.24 0.17 0.01 0.16 -0.00 0.54 -3.11 118.16 111.68 1pav n LYS 25 Ca 0.02 0.23 -0.20 0.00 -0.00 0.00 0.00 58.31 58.36 1pav n LYS 25 Cb 0.35 -1.73 -0.14 0.00 -0.00 0.00 0.00 35.03 33.51 1pav n LYS 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pav h ALA 26 N 2.55 0.04 -1.07 0.58 0.00 0.05 -3.29 119.26 118.12 1pav h ALA 26 Ca 0.00 -0.83 0.31 0.00 0.00 0.00 0.00 54.91 54.39 1pav h ALA 26 Cb 0.55 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1pav h ALA 26 CO 0.00 0.48 1.06 0.10 0.00 0.00 0.00 179.25 180.90 1pav h TYR 27 N -0.50 0.00 0.00 0.00 -0.00 -0.96 4.75 116.97 120.25 1pav h TYR 27 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.41 1pav h TYR 27 Cb 1.55 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 38.26 1pav h TYR 27 CO 0.18 0.00 -0.65 -0.22 -0.00 0.00 0.00 178.16 177.47 1pav h LYS 28 N 0.00 0.00 0.03 0.10 3.11 -1.69 -3.30 116.57 114.81 1pav h LYS 28 Ca 0.51 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 58.25 1pav h LYS 28 Cb 2.63 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 33.87 1pav h LYS 28 CO -0.01 0.62 -0.42 0.37 -2.81 0.00 0.00 179.45 177.21 1pav h GLN 29 N 0.00 0.24 0.00 1.90 4.15 0.92 -3.46 115.11 118.86 1pav h GLN 29 Ca -0.01 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.12 1pav h GLN 29 Cb 1.49 0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.27 1pav h GLN 29 CO 0.08 1.04 0.00 0.00 -1.93 0.00 0.00 178.83 178.02 1pav n ALA 30 N -2.58 0.00 -3.06 3.38 0.00 -0.33 -5.13 120.51 112.79 1pav n ALA 30 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 1pav n ALA 30 Cb 0.61 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 1pav n ALA 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1pav s LYS 31 N 1.15 0.82 -0.05 0.00 -2.85 -1.26 -4.92 119.74 112.63 1pav s LYS 31 Ca 0.00 -0.44 -0.37 0.00 -1.00 0.00 0.00 55.97 54.16 1pav s LYS 31 Cb 0.00 0.36 -0.15 0.00 -2.06 0.00 0.00 37.83 35.98 1pav s LYS 31 CO 0.00 -0.26 1.62 1.55 0.10 0.00 0.00 175.35 178.36 1pav n VAL 32 N 0.63 0.22 -0.25 1.79 3.14 -1.25 -0.23 118.33 122.37 1pav n VAL 32 Ca -0.19 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 1pav n VAL 32 Cb 0.59 -1.29 0.00 0.00 -1.06 0.00 0.00 33.84 32.08 1pav n VAL 32 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pav n GLY 33 N 3.59 0.87 3.91 7.55 0.00 73.58 -4.56 105.19 190.13 1pav n GLY 33 Ca 0.21 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1pav n GLY 33 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pav s GLU 34 N -0.73 2.30 0.05 1.61 2.56 1.05 -4.69 118.70 120.85 1pav s GLU 34 Ca 0.00 -1.89 0.05 0.00 0.00 0.00 0.00 54.97 53.13 1pav s GLU 34 Cb 0.00 -2.20 -0.02 0.00 2.00 0.00 0.00 34.13 33.91 1pav s GLU 34 CO 0.00 -0.55 -0.14 0.14 -0.56 0.00 0.00 175.26 174.15 1pav s VAL 35 N -2.70 1.14 -0.16 3.70 -7.23 -1.25 1.12 120.40 115.02 1pav s VAL 35 Ca 0.40 -1.11 -0.11 0.00 -1.81 0.00 0.00 61.98 59.35 1pav s VAL 35 Cb -0.02 -1.05 0.05 0.00 0.56 0.00 0.00 36.38 35.92 1pav s VAL 35 CO 0.24 -0.06 0.39 0.27 -0.31 0.00 0.00 175.10 175.63 1pav s ILE 36 N -0.98 -0.02 -0.12 -0.62 -4.36 0.45 -2.42 121.20 113.13 1pav s ILE 36 Ca 0.01 0.06 -0.02 0.00 -0.26 0.00 0.00 60.65 60.43 1pav s ILE 36 Cb -0.09 -0.57 -0.03 0.00 1.25 0.00 0.00 42.46 43.03 1pav s ILE 36 CO 0.02 0.02 -0.03 -0.55 0.24 0.00 0.00 174.94 174.63 1pav s SER 37 N 0.86 4.87 0.38 4.36 0.15 -1.26 0.19 113.70 123.25 1pav s SER 37 Ca -0.05 -0.04 0.07 0.00 0.70 0.00 0.00 55.95 56.63 1pav s SER 37 Cb -0.06 -1.58 -0.07 0.00 -1.71 0.00 0.00 66.02 62.59 1pav s SER 37 CO -0.07 0.26 -0.01 0.54 1.20 0.00 0.00 173.24 175.16 1pav s VAL 38 N -0.16 1.94 0.16 4.45 0.11 1.86 -0.68 120.40 128.08 1pav s VAL 38 Ca 0.03 -2.05 -0.13 0.00 -2.93 0.00 0.00 61.98 56.90 1pav s VAL 38 Cb -0.13 -2.86 0.01 0.00 -1.53 0.00 0.00 36.38 31.87 1pav s VAL 38 CO 0.02 -0.06 0.37 -0.72 -3.33 0.00 0.00 175.10 171.38 1pav s TYR 39 N -2.77 0.08 0.18 1.54 1.13 1.02 0.83 117.35 119.37 1pav s TYR 39 Ca 0.34 -0.44 -0.22 0.00 -1.41 0.00 0.00 57.07 55.34 1pav s TYR 39 Cb 0.08 0.15 0.08 0.00 -1.10 0.00 0.00 41.96 41.16 1pav s TYR 39 CO 0.17 -0.75 1.05 0.45 -2.51 0.00 0.00 175.55 173.96 1pav s SER 40 N -2.89 0.01 0.00 -0.18 0.15 95.64 1.21 113.70 207.65 1pav s SER 40 Ca 0.10 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1pav s SER 40 Cb 0.02 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1pav s SER 40 CO -0.05 -0.97 0.00 0.41 1.20 0.00 0.00 173.24 173.83 1pav n THR 41 N -0.73 0.00 0.14 6.45 -1.04 -0.61 2.35 114.28 120.85 1pav n THR 41 Ca -0.02 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.12 1pav n THR 41 Cb 0.59 -0.23 0.35 0.00 -1.82 0.00 0.00 70.33 69.22 1pav n THR 41 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1pav h ASP 42 N 0.00 0.00 -1.24 8.00 3.58 -1.86 -3.43 116.42 121.47 1pav h ASP 42 Ca 0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.15 1pav h ASP 42 Cb 0.30 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.26 1pav h ASP 42 CO 0.00 0.00 -0.32 0.00 -2.88 0.00 0.00 179.24 176.04 1pav n ALA 43 N -1.88 -0.31 -0.07 -0.78 0.00 -1.26 -4.75 120.51 111.46 1pav n ALA 43 Ca 0.07 0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.61 1pav n ALA 43 Cb 1.01 -1.65 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 1pav n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pav n GLY 44 N -1.10 -0.24 0.23 0.00 0.00 -1.23 -4.51 105.19 98.34 1pav n GLY 44 Ca -0.16 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.84 1pav n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pav h THR 45 N 0.00 0.83 -1.09 2.61 1.03 2.76 1.45 112.91 120.50 1pav h THR 45 Ca -0.34 -0.93 0.30 0.00 -0.01 0.00 0.00 66.41 65.43 1pav h THR 45 Cb 1.54 1.56 -0.09 0.00 -1.07 0.00 0.00 68.15 70.09 1pav h THR 45 CO -0.05 0.23 0.71 0.11 -0.01 0.00 0.00 175.52 176.52 1pav h LYS 46 N 0.00 0.30 0.12 0.00 1.57 -1.73 34.32 116.57 151.15 1pav h LYS 46 Ca -0.00 -0.02 -0.37 0.00 -1.87 0.00 0.00 60.65 58.39 1pav h LYS 46 Cb 0.54 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1pav h LYS 46 CO 0.03 0.20 -2.02 0.36 -0.57 0.00 0.00 179.45 177.45 1pav n LYS 47 N -4.59 0.76 0.07 3.15 0.00 -0.99 -4.09 118.16 112.46 1pav n LYS 47 Ca 0.27 0.26 -0.23 0.00 -0.00 0.00 0.00 58.31 58.61 1pav n LYS 47 Cb 1.00 -1.70 -0.15 0.00 -0.00 0.00 0.00 35.03 34.18 1pav n LYS 47 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1pav h ASP 48 N 0.07 0.60 -1.00 -5.58 3.32 0.66 -3.34 116.42 111.15 1pav h ASP 48 Ca -0.43 -0.94 0.25 0.00 0.02 0.00 0.00 57.03 55.94 1pav h ASP 48 Cb 2.03 -0.19 -0.19 0.00 0.22 0.00 0.00 39.33 41.20 1pav h ASP 48 CO 0.08 1.78 -0.07 0.00 -1.72 0.00 0.00 179.24 179.32 1pav h ALA 49 N 0.10 1.01 0.00 3.45 0.00 8.36 6.68 119.26 138.85 1pav h ALA 49 Ca -0.34 0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pav h ALA 49 Cb 2.07 0.66 0.00 0.00 0.00 0.00 0.00 17.79 20.52 1pav h ALA 49 CO 0.17 -0.51 0.00 -0.35 0.00 0.00 0.00 179.25 178.55 1pav n PRO 50 N -5.54 0.75 -0.05 0.00 -0.04 -1.21 -2.28 135.00 126.61 1pav n PRO 50 Ca 0.21 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.63 1pav n PRO 50 Cb 0.68 -1.30 -0.10 0.00 -0.04 0.00 0.00 33.50 32.74 1pav n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pav n ALA 51 N -0.80 1.83 0.03 0.55 0.00 2.13 -4.34 120.51 119.91 1pav n ALA 51 Ca 0.11 -0.75 -0.11 0.00 0.00 0.00 0.00 53.44 52.69 1pav n ALA 51 Cb 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.37 1pav n ALA 51 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1pav h TRP 52 N 0.00 -0.74 -0.92 0.00 6.55 -0.25 0.14 115.95 120.73 1pav h TRP 52 Ca -0.28 0.03 0.15 0.00 0.95 0.00 0.00 58.89 59.73 1pav h TRP 52 Cb 1.58 0.34 -0.08 0.00 -0.86 0.00 0.00 29.16 30.15 1pav h TRP 52 CO 0.00 -0.36 0.59 0.97 -1.05 0.00 0.00 178.44 178.59 1pav h ILE 53 N -0.38 0.83 -1.06 1.49 -0.00 -1.77 1.07 117.51 117.69 1pav h ILE 53 Ca 0.08 -0.25 0.31 0.00 -0.00 0.00 0.00 64.86 65.00 1pav h ILE 53 Cb 0.50 0.03 -0.13 0.00 -0.00 0.00 0.00 36.82 37.22 1pav h ILE 53 CO -0.29 0.13 0.64 -0.61 -0.00 0.00 0.00 178.15 178.03 1pav h GLN 54 N 0.74 0.35 0.00 2.19 4.15 -0.92 0.71 115.11 122.32 1pav h GLN 54 Ca 0.47 -0.02 -0.38 0.00 0.77 0.00 0.00 58.65 59.49 1pav h GLN 54 Cb 0.71 -0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.26 1pav h GLN 54 CO -0.23 0.23 -2.43 0.36 -1.93 0.00 0.00 178.83 174.83 1pav n LYS 55 N -4.87 0.67 -0.09 1.69 0.00 0.30 -4.54 118.16 111.32 1pav n LYS 55 Ca 0.30 0.09 -0.12 0.00 -0.00 0.00 0.00 58.31 58.58 1pav n LYS 55 Cb 0.98 -1.52 -0.08 0.00 -0.00 0.00 0.00 35.03 34.41 1pav n LYS 55 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1pav h SER 56 N 0.00 -1.53 0.00 -5.58 0.02 0.24 -3.46 113.55 103.24 1pav h SER 56 Ca -0.56 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1pav h SER 56 Cb 2.02 0.62 0.00 0.00 0.14 0.00 0.00 62.40 65.18 1pav h SER 56 CO -0.04 -0.35 0.00 0.61 -1.14 0.00 0.00 176.83 175.90 1pav n GLY 57 N -1.32 1.89 3.71 -3.77 0.00 0.11 -4.73 105.19 101.08 1pav n GLY 57 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1pav n GLY 57 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pav s GLN 58 N 0.00 2.44 0.38 1.61 0.00 -1.23 0.85 119.66 123.72 1pav s GLN 58 Ca 0.00 -1.39 -0.27 0.00 -0.00 0.00 0.00 55.36 53.70 1pav s GLN 58 Cb 0.00 -2.25 -0.11 0.00 0.00 0.00 0.00 33.01 30.65 1pav s GLN 58 CO 0.00 0.28 1.29 0.39 0.00 0.00 0.00 175.29 177.25 1pav n GLU 59 N -1.04 2.05 -2.87 9.60 -0.58 25.61 -4.20 120.64 149.20 1pav n GLU 59 Ca -0.05 0.72 -0.42 0.00 -0.42 0.00 0.00 57.16 56.99 1pav n GLU 59 Cb 0.59 -2.37 -0.04 0.00 -0.57 0.00 0.00 31.44 29.05 1pav n GLU 59 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1pav s LEU 60 N -1.41 4.06 0.00 -4.62 2.96 -1.26 0.78 118.68 119.20 1pav s LEU 60 Ca 0.58 0.84 0.05 0.00 -0.22 0.00 0.00 54.13 55.38 1pav s LEU 60 Cb -0.53 -3.19 0.05 0.00 0.50 0.00 0.00 46.19 43.02 1pav s LEU 60 CO 0.60 -0.63 0.45 1.33 -1.32 0.00 0.00 176.35 176.78 1pav n VAL 61 N 5.51 0.00 -3.73 1.68 0.24 -1.00 0.13 118.33 121.17 1pav n VAL 61 Ca 0.06 -2.20 -0.28 0.00 -2.04 0.00 0.00 64.34 59.88 1pav n VAL 61 Cb 0.48 -0.05 -0.16 0.00 -1.47 0.00 0.00 33.84 32.63 1pav n VAL 61 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1pav s GLY 62 N -4.32 0.69 -0.31 7.63 0.00 -1.26 -4.74 107.32 105.01 1pav s GLY 62 Ca 0.34 -0.70 0.04 0.00 0.00 0.00 0.00 44.72 44.40 1pav s GLY 62 CO 0.22 1.45 0.65 0.14 0.00 0.00 0.00 173.10 175.56 1pav s VAL 63 N 1.87 -0.91 -0.05 1.40 1.01 -1.26 -4.96 120.40 117.49 1pav s VAL 63 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1pav s VAL 63 Cb -0.17 -0.73 0.04 0.00 0.00 0.00 0.00 36.38 35.51 1pav s VAL 63 CO -0.09 0.00 0.11 -0.36 0.00 0.00 0.00 175.10 174.76 1pav s PHE 64 N 2.65 -0.09 -0.25 5.22 0.08 -1.26 -3.84 117.98 120.50 1pav s PHE 64 Ca 0.13 0.38 -0.20 0.00 0.12 0.00 0.00 56.93 57.35 1pav s PHE 64 Cb -0.08 -0.19 0.07 0.00 -0.57 0.00 0.00 43.02 42.25 1pav s PHE 64 CO -0.22 -0.16 0.64 0.34 -0.10 0.00 0.00 175.22 175.72 1pav s ASP 65 N 1.37 -0.72 -0.88 1.36 2.15 -1.26 -5.04 116.67 113.66 1pav s ASP 65 Ca -0.06 1.32 0.00 0.00 0.43 0.00 0.00 52.55 54.24 1pav s ASP 65 Cb -0.12 1.30 0.27 0.00 -0.30 0.00 0.00 42.92 44.07 1pav s ASP 65 CO -0.05 -0.23 1.05 -2.11 -0.17 0.00 0.00 175.17 173.67 1pav n ARG 66 N 3.12 3.34 -0.00 4.34 0.00 -1.26 -3.50 116.66 122.70 1pav n ARG 66 Ca -0.16 -4.59 0.01 0.00 -0.00 0.00 0.00 57.85 53.12 1pav n ARG 66 Cb 0.56 -2.40 -0.03 0.00 -0.00 0.00 0.00 32.46 30.59 1pav n ARG 66 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1pav n ASN 67 N 1.36 4.05 0.00 2.89 2.85 -1.26 -4.95 115.26 120.21 1pav n ASN 67 Ca 0.27 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.74 1pav n ASN 67 Cb 0.37 1.09 0.00 0.00 1.24 0.00 0.00 39.78 42.48 1pav n ASN 67 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1pav n GLY 68 N 2.35 0.07 3.57 8.20 0.00 -1.26 -5.12 105.19 113.00 1pav n GLY 68 Ca -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 1pav n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pav s TYR 69 N -1.21 -1.19 0.35 1.61 2.02 -1.22 -4.66 117.35 113.06 1pav s TYR 69 Ca 0.00 2.02 -0.23 0.00 -0.37 0.00 0.00 57.07 58.49 1pav s TYR 69 Cb 0.00 0.70 -0.10 0.00 -0.40 0.00 0.00 41.96 42.16 1pav s TYR 69 CO 0.00 -0.59 0.92 1.52 -1.57 0.00 0.00 175.55 175.83 1pav s TYR 70 N 2.79 3.54 0.25 2.71 -0.85 45.28 -4.13 117.35 166.94 1pav s TYR 70 Ca -0.04 1.66 -0.09 0.00 -0.52 0.00 0.00 57.07 58.07 1pav s TYR 70 Cb -0.11 -2.85 -0.01 0.00 0.38 0.00 0.00 41.96 39.37 1pav s TYR 70 CO -0.19 0.10 0.42 -1.83 -1.52 0.00 0.00 175.55 172.53 1pav s GLU 71 N -2.50 1.54 0.03 -3.49 -1.05 -1.23 3.18 118.70 115.19 1pav s GLU 71 Ca 0.54 -1.40 -0.05 0.00 -0.15 0.00 0.00 54.97 53.91 1pav s GLU 71 Cb -0.15 0.43 -0.01 0.00 -0.44 0.00 0.00 34.13 33.96 1pav s GLU 71 CO 0.19 -0.62 0.09 0.42 0.95 0.00 0.00 175.26 176.29 1pav s ILE 72 N -3.88 0.13 0.06 1.83 1.09 0.24 -4.04 121.20 116.63 1pav s ILE 72 Ca 0.27 -1.03 0.07 0.00 -1.10 0.00 0.00 60.65 58.85 1pav s ILE 72 Cb 0.01 -0.79 -0.04 0.00 -1.06 0.00 0.00 42.46 40.58 1pav s ILE 72 CO 0.11 -0.57 -0.15 0.68 -0.10 0.00 0.00 174.94 174.91 1pav s VAL 73 N -2.36 3.00 -0.07 2.92 -7.23 -1.25 0.50 120.40 115.91 1pav s VAL 73 Ca -0.07 -1.23 -0.03 0.00 -1.81 0.00 0.00 61.98 58.85 1pav s VAL 73 Cb -0.03 -2.32 0.04 0.00 0.56 0.00 0.00 36.38 34.63 1pav s VAL 73 CO -0.03 0.25 0.14 -0.04 -0.31 0.00 0.00 175.10 175.11 1pav s MET 74 N -1.73 0.07 -0.59 4.82 1.00 0.51 -2.36 119.30 121.01 1pav s MET 74 Ca 0.17 0.40 -0.19 0.00 0.00 0.00 0.00 55.69 56.07 1pav s MET 74 Cb -0.11 -0.21 0.10 0.00 0.00 0.00 0.00 34.83 34.62 1pav s MET 74 CO 0.08 -0.19 0.71 0.21 0.00 0.00 0.00 175.02 175.83 1pav s LYS 75 N 1.39 3.04 -0.49 2.03 2.20 0.57 0.17 119.74 128.66 1pav s LYS 75 Ca -0.07 -1.31 -0.45 0.00 -0.36 0.00 0.00 55.97 53.78 1pav s LYS 75 Cb -0.12 -4.27 -0.19 0.00 -1.51 0.00 0.00 37.83 31.75 1pav s LYS 75 CO -0.06 -1.55 1.86 1.63 -0.36 0.00 0.00 175.35 176.88 1pav n LYS 76 N 6.37 0.08 -0.29 4.03 4.76 8.51 1.85 118.16 143.46 1pav n LYS 76 Ca -0.09 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 1pav n LYS 76 Cb 0.42 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 1pav n LYS 76 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1pav n VAL 77 N 5.23 0.00 0.00 -0.18 0.31 1.60 2.86 118.33 128.16 1pav n VAL 77 Ca 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.75 1pav n VAL 77 Cb -0.04 0.70 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 1pav n VAL 77 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80