#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pav h ASP 2 N 0.00 0.36 0.00 3.17 3.45 -1.80 -3.44 116.42 118.16 1pav h ASP 2 Ca 0.00 -0.60 0.00 0.00 0.43 0.00 0.00 57.03 56.86 1pav h ASP 2 Cb 0.00 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.65 1pav h ASP 2 CO 0.00 1.52 0.00 0.52 -1.57 0.00 0.00 179.24 179.71 1pav n VAL 3 N -3.41 0.00 -0.75 -1.35 0.31 -1.26 -2.45 118.33 109.43 1pav n VAL 3 Ca -0.21 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.20 1pav n VAL 3 Cb 1.05 0.00 0.38 0.00 -0.91 0.00 0.00 33.84 34.36 1pav n VAL 3 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1pav n LYS 4 N 0.00 4.24 -2.52 5.55 4.81 -1.26 -4.96 118.16 124.01 1pav n LYS 4 Ca 0.00 -3.02 -0.38 0.00 -0.87 0.00 0.00 58.31 54.03 1pav n LYS 4 Cb 0.00 -2.06 -0.04 0.00 0.02 0.00 0.00 35.03 32.95 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 -2.23 4.42 -0.33 1.64 0.04 -1.02 -4.98 135.00 132.54 1pav s PRO 5 Ca 0.53 1.65 -0.03 0.00 0.04 0.00 0.00 61.00 63.19 1pav s PRO 5 Cb 0.37 -2.89 0.06 0.00 0.04 0.00 0.00 34.50 32.08 1pav s PRO 5 CO 0.21 0.06 0.07 0.34 0.04 0.00 0.00 177.00 177.72 1pav s ASP 6 N -1.22 5.07 0.37 6.66 2.15 -1.17 -4.17 116.67 124.36 1pav s ASP 6 Ca 0.51 -1.43 -0.14 0.00 0.43 0.00 0.00 52.55 51.91 1pav s ASP 6 Cb -0.27 -1.77 0.05 0.00 -0.30 0.00 0.00 42.92 40.62 1pav s ASP 6 CO 0.34 -0.34 0.74 -0.60 -0.17 0.00 0.00 175.17 175.14 1pav s ARG 7 N 1.26 2.17 -0.35 4.34 3.52 -1.26 -4.67 118.95 123.96 1pav s ARG 7 Ca -0.01 -1.45 -0.02 0.00 -0.13 0.00 0.00 55.73 54.11 1pav s ARG 7 Cb -0.20 0.60 0.08 0.00 -1.56 0.00 0.00 34.95 33.86 1pav s ARG 7 CO -0.01 -1.00 0.09 0.14 -0.81 0.00 0.00 175.30 173.71 1pav s VAL 8 N -2.51 3.10 -0.22 7.11 -7.23 -1.26 -4.14 120.40 115.25 1pav s VAL 8 Ca 0.17 -1.69 -0.03 0.00 -1.81 0.00 0.00 61.98 58.62 1pav s VAL 8 Cb -0.05 -2.95 0.11 0.00 0.56 0.00 0.00 36.38 34.06 1pav s VAL 8 CO 0.12 -0.37 0.30 -0.63 -0.31 0.00 0.00 175.10 174.22 1pav s ILE 9 N 1.20 -0.46 -0.17 -0.62 -1.09 0.82 -4.94 121.20 115.93 1pav s ILE 9 Ca 0.01 -0.09 -0.11 0.00 -2.23 0.00 0.00 60.65 58.22 1pav s ILE 9 Cb -0.21 -0.75 0.05 0.00 -1.58 0.00 0.00 42.46 39.98 1pav s ILE 9 CO -0.02 -0.16 0.42 1.51 -1.23 0.00 0.00 174.94 175.45 1pav s ASP 10 N 2.44 -0.51 -0.10 3.58 3.84 -1.24 0.41 116.67 125.09 1pav s ASP 10 Ca 0.10 0.90 -0.01 0.00 -0.00 0.00 0.00 52.55 53.54 1pav s ASP 10 Cb -0.16 0.82 0.03 0.00 -1.38 0.00 0.00 42.92 42.24 1pav s ASP 10 CO -0.14 -0.18 -0.03 0.00 -0.00 0.00 0.00 175.17 174.82 1pav s ALA 11 N 1.01 1.01 -0.44 2.11 0.00 8.15 -4.74 121.76 128.85 1pav s ALA 11 Ca -0.06 -0.35 -0.10 0.00 0.00 0.00 0.00 51.96 51.44 1pav s ALA 11 Cb -0.06 -0.85 0.09 0.00 0.00 0.00 0.00 23.12 22.29 1pav s ALA 11 CO -0.08 -0.48 0.29 1.03 0.00 0.00 0.00 175.76 176.52 1pav s ARG 12 N 1.85 2.64 0.00 0.00 1.81 -1.26 -1.71 118.95 122.27 1pav s ARG 12 Ca 0.05 -1.50 0.00 0.00 -1.72 0.00 0.00 55.73 52.56 1pav s ARG 12 Cb -0.13 -3.86 0.00 0.00 -0.45 0.00 0.00 34.95 30.52 1pav s ARG 12 CO -0.07 -1.01 0.00 0.41 -0.68 0.00 0.00 175.30 173.95 1pav n GLY 13 N 4.96 0.60 0.40 -3.53 0.00 -1.26 -4.80 105.19 101.56 1pav n GLY 13 Ca -0.10 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.26 1pav n GLY 13 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pav n SER 14 N 1.51 1.23 0.00 1.61 2.88 -1.26 -4.31 113.62 115.27 1pav n SER 14 Ca 0.00 -1.51 0.00 0.00 -1.33 0.00 0.00 58.87 56.03 1pav n SER 14 Cb 0.11 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1pav n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pav n TYR 15 N -0.01 -0.12 0.00 0.66 4.11 -1.26 3.09 117.16 123.62 1pav n TYR 15 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.08 1pav n TYR 15 Cb 0.29 0.10 0.00 0.00 -0.00 0.00 0.00 39.34 39.73 1pav n TYR 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pav n PRO 17 N 0.00 2.79 0.23 0.00 -0.04 0.47 0.35 135.00 138.80 1pav n PRO 17 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1pav n PRO 17 Cb 0.00 0.00 0.67 0.00 -0.04 0.00 0.00 33.50 34.13 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 0.00101.12 0.19 103.07 206.93 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 -4.44 0.05 -0.47 4.80 -0.04 -1.11 -3.52 135.00 130.27 1pav n PRO 19 Ca -0.01 0.16 0.42 0.00 -0.04 0.00 0.00 63.50 64.03 1pav n PRO 19 Cb 0.17 -1.57 0.67 0.00 -0.04 0.00 0.00 33.50 32.73 1pav n PRO 19 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 1pav h LEU 20 N 0.00 0.00 0.00 1.53 -0.00 -0.74 5.85 115.31 121.95 1pav h LEU 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1pav h LEU 20 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1pav h LEU 20 CO 0.00 0.00 -1.40 0.23 -0.00 0.00 0.00 178.44 177.27 1pav n MET 21 N -3.68 0.32 -0.28 0.17 2.81 -1.23 -3.43 117.12 111.81 1pav n MET 21 Ca 0.34 -0.08 0.14 0.00 -1.81 0.00 0.00 57.70 56.30 1pav n MET 21 Cb 1.75 -1.53 0.41 0.00 -0.71 0.00 0.00 33.22 33.14 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 0.59 0.13 0.03 3.07 1.18 0.41 114.58 120.00 1pav h GLU 22 Ca 0.00 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1pav h GLU 22 Cb 0.75 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1pav h GLU 22 CO 0.00 0.39 -0.06 -0.07 -1.40 0.00 0.00 179.01 177.87 1pav h LEU 23 N 0.61 -0.15 -1.28 1.33 3.38 -1.72 0.17 115.31 117.66 1pav h LEU 23 Ca 0.48 -0.41 0.22 0.00 0.09 0.00 0.00 57.88 58.26 1pav h LEU 23 Cb 0.90 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.60 1pav h LEU 23 CO -0.23 0.43 0.63 0.16 0.09 0.00 0.00 178.44 179.52 1pav h ILE 24 N -0.84 0.64 0.00 1.22 -0.00 -1.47 1.84 117.51 118.90 1pav h ILE 24 Ca -0.02 -0.18 0.00 0.00 -0.00 0.00 0.00 64.86 64.66 1pav h ILE 24 Cb 0.55 0.06 0.00 0.00 -0.00 0.00 0.00 36.82 37.42 1pav h ILE 24 CO 0.03 0.10 -0.34 2.29 -0.00 0.00 0.00 178.15 180.22 1pav n LYS 25 N -4.64 0.19 0.00 0.16 -0.00 0.14 -3.73 118.16 110.28 1pav n LYS 25 Ca 0.23 0.09 -0.19 0.00 -0.00 0.00 0.00 58.31 58.44 1pav n LYS 25 Cb 0.71 -1.66 -0.14 0.00 -0.00 0.00 0.00 35.03 33.94 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 2.67 0.00 -1.57 0.58 0.00 0.56 -3.29 119.26 118.20 1pav h ALA 26 Ca 0.00 -0.75 0.46 0.00 0.00 0.00 0.00 54.91 54.62 1pav h ALA 26 Cb 0.67 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 1pav h ALA 26 CO 0.00 0.38 1.11 0.10 0.00 0.00 0.00 179.25 180.84 1pav h TYR 27 N -0.57 0.12 0.00 0.00 -0.00 0.06 4.25 116.97 120.82 1pav h TYR 27 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.50 1pav h TYR 27 Cb 1.47 -0.03 -0.01 0.00 0.00 0.00 0.00 36.73 38.16 1pav h TYR 27 CO 0.20 -0.03 -0.41 -0.22 -0.00 0.00 0.00 178.16 177.69 1pav h LYS 28 N 0.03 0.00 0.03 0.10 3.64 -1.72 -3.17 116.57 115.48 1pav h LYS 28 Ca 0.78 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 60.06 1pav h LYS 28 Cb 2.98 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 34.81 1pav h LYS 28 CO -0.09 0.41 -0.43 0.37 -2.27 0.00 0.00 179.45 177.45 1pav h GLN 29 N 0.00 0.24 0.00 1.90 -0.00 0.81 -3.46 115.11 114.60 1pav h GLN 29 Ca -0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 58.65 58.35 1pav h GLN 29 Cb 0.98 0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.55 1pav h GLN 29 CO 0.05 1.04 0.00 0.00 0.00 0.00 0.00 178.83 179.92 1pav n ALA 30 N -2.58 0.00 -2.89 3.38 0.00 -0.49 -5.13 120.51 112.80 1pav n ALA 30 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1pav n ALA 30 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 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 0.94 0.91 -0.24 0.00 0.00 -1.26 -4.93 119.74 115.16 1pav s LYS 31 Ca 0.00 -0.69 -0.37 0.00 0.00 0.00 0.00 55.97 54.91 1pav s LYS 31 Cb 0.00 0.39 -0.13 0.00 0.00 0.00 0.00 37.83 38.09 1pav s LYS 31 CO 0.00 -0.32 1.89 1.55 0.00 0.00 0.00 175.35 178.48 1pav n VAL 32 N 0.13 0.36 -0.13 1.79 3.14 -1.25 0.30 118.33 122.68 1pav n VAL 32 Ca -0.17 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 1pav n VAL 32 Cb 0.62 -1.51 0.00 0.00 -1.06 0.00 0.00 33.84 31.88 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 4.82 0.93 3.99 7.55 0.00110.39 -4.54 105.19 228.32 1pav n GLY 33 Ca 0.29 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.57 2.38 -0.01 1.61 2.56 0.57 -4.67 118.70 120.57 1pav s GLU 34 Ca 0.00 -1.67 0.04 0.00 0.00 0.00 0.00 54.97 53.34 1pav s GLU 34 Cb 0.00 -2.51 -0.01 0.00 2.00 0.00 0.00 34.13 33.61 1pav s GLU 34 CO 0.00 -0.67 -0.13 0.14 -0.56 0.00 0.00 175.26 174.04 1pav s VAL 35 N -2.63 1.03 -0.16 3.70 -7.23 -1.26 0.59 120.40 114.45 1pav s VAL 35 Ca 0.53 -0.57 -0.11 0.00 -1.81 0.00 0.00 61.98 60.03 1pav s VAL 35 Cb -0.05 -0.86 0.05 0.00 0.56 0.00 0.00 36.38 36.07 1pav s VAL 35 CO 0.33 0.28 0.40 0.27 -0.31 0.00 0.00 175.10 176.08 1pav s ILE 36 N -0.32 -0.02 -0.11 -0.62 -5.25 0.40 -3.06 121.20 112.22 1pav s ILE 36 Ca 0.05 0.06 -0.02 0.00 -0.99 0.00 0.00 60.65 59.75 1pav s ILE 36 Cb -0.05 -0.59 -0.03 0.00 2.95 0.00 0.00 42.46 44.74 1pav s ILE 36 CO -0.00 0.03 -0.03 -0.55 -1.79 0.00 0.00 174.94 172.59 1pav s SER 37 N 0.99 4.88 0.34 4.36 0.15 -1.26 -0.34 113.70 122.83 1pav s SER 37 Ca -0.06 -0.02 0.09 0.00 0.70 0.00 0.00 55.95 56.66 1pav s SER 37 Cb -0.07 -1.51 -0.06 0.00 -1.71 0.00 0.00 66.02 62.67 1pav s SER 37 CO -0.08 0.29 -0.08 0.54 1.20 0.00 0.00 173.24 175.11 1pav s VAL 38 N -0.35 2.10 0.15 4.45 0.11 2.28 -0.13 120.40 129.02 1pav s VAL 38 Ca 0.06 -2.18 -0.13 0.00 -2.93 0.00 0.00 61.98 56.80 1pav s VAL 38 Cb -0.12 -2.64 0.01 0.00 -1.53 0.00 0.00 36.38 32.10 1pav s VAL 38 CO 0.02 -0.20 0.37 -0.72 -3.33 0.00 0.00 175.10 171.24 1pav s TYR 39 N -2.70 0.08 0.22 1.54 1.13 1.36 0.11 117.35 119.09 1pav s TYR 39 Ca 0.32 -0.44 -0.21 0.00 -1.41 0.00 0.00 57.07 55.33 1pav s TYR 39 Cb 0.03 0.14 0.07 0.00 -1.10 0.00 0.00 41.96 41.11 1pav s TYR 39 CO 0.16 -0.75 1.01 0.45 -2.51 0.00 0.00 175.55 173.91 1pav s SER 40 N -2.89 0.02 0.00 -0.18 0.15 70.07 1.10 113.70 181.97 1pav s SER 40 Ca 0.10 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1pav s SER 40 Cb 0.02 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1pav s SER 40 CO -0.05 -1.11 0.00 0.41 1.20 0.00 0.00 173.24 173.69 1pav n THR 41 N -0.71 0.00 0.13 6.45 -1.04 -0.70 1.75 114.28 120.17 1pav n THR 41 Ca -0.03 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.12 1pav n THR 41 Cb 0.59 -0.20 0.40 0.00 -1.82 0.00 0.00 70.33 69.30 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 -1.17 8.00 -0.00 -1.87 -3.43 116.42 117.95 1pav h ASP 42 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.03 56.74 1pav h ASP 42 Cb 0.23 0.00 -0.08 0.00 -0.00 0.00 0.00 39.33 39.48 1pav h ASP 42 CO 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 179.24 178.94 1pav n ALA 43 N -1.93 -0.29 -0.08 -0.78 0.00 -1.26 -4.76 120.51 111.41 1pav n ALA 43 Ca 0.08 0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.60 1pav n ALA 43 Cb 0.99 -1.59 -0.07 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.16 -0.21 0.24 0.00 0.00 -1.24 -4.51 105.19 98.31 1pav n GLY 44 Ca -0.15 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.01 0.82 -1.06 2.61 1.03 2.32 1.39 112.91 120.01 1pav h THR 45 Ca -0.34 -0.74 0.28 0.00 -0.01 0.00 0.00 66.41 65.60 1pav h THR 45 Cb 1.53 1.44 -0.08 0.00 -1.07 0.00 0.00 68.15 69.97 1pav h THR 45 CO -0.06 0.18 0.70 0.11 -0.01 0.00 0.00 175.52 176.45 1pav h LYS 46 N 0.00 0.27 0.10 0.00 1.57 -1.72 39.72 116.57 156.51 1pav h LYS 46 Ca -0.00 -0.02 -0.35 0.00 -1.87 0.00 0.00 60.65 58.41 1pav h LYS 46 Cb 0.42 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1pav h LYS 46 CO 0.02 0.18 -1.94 0.36 -0.57 0.00 0.00 179.45 177.51 1pav n LYS 47 N -4.51 0.73 0.04 3.15 0.00 -0.89 -4.14 118.16 112.53 1pav n LYS 47 Ca 0.25 0.30 -0.14 0.00 -0.00 0.00 0.00 58.31 58.71 1pav n LYS 47 Cb 0.96 -1.70 -0.14 0.00 -0.00 0.00 0.00 35.03 34.15 1pav n LYS 47 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1pav h ASP 48 N -0.07 0.25 -0.90 -5.58 1.82 0.83 -3.34 116.42 109.43 1pav h ASP 48 Ca -0.43 -0.38 0.23 0.00 -0.39 0.00 0.00 57.03 56.06 1pav h ASP 48 Cb 1.94 -0.08 -0.16 0.00 0.68 0.00 0.00 39.33 41.70 1pav h ASP 48 CO 0.04 1.33 0.01 0.00 -1.61 0.00 0.00 179.24 179.00 1pav h ALA 49 N 0.64 0.99 0.00 -0.78 0.00 9.83 4.35 119.26 134.29 1pav h ALA 49 Ca -0.24 0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pav h ALA 49 Cb 1.99 0.53 0.00 0.00 0.00 0.00 0.00 17.79 20.30 1pav h ALA 49 CO 0.13 -0.49 0.00 -0.35 0.00 0.00 0.00 179.25 178.54 1pav n PRO 50 N -5.43 0.75 -0.07 0.00 -0.04 -1.23 -2.52 135.00 126.47 1pav n PRO 50 Ca 0.19 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.56 1pav n PRO 50 Cb 0.62 -1.15 -0.08 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.65 1.69 -0.01 0.55 0.00 1.41 -4.35 120.51 119.14 1pav n ALA 51 Ca 0.06 -0.70 -0.02 0.00 0.00 0.00 0.00 53.44 52.78 1pav n ALA 51 Cb 0.03 0.09 -0.01 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.18 -0.89 0.00 6.55 -0.56 0.31 115.95 121.17 1pav h TRP 52 Ca -0.33 0.01 0.22 0.00 0.95 0.00 0.00 58.89 59.74 1pav h TRP 52 Cb 1.61 0.08 -0.16 0.00 -0.86 0.00 0.00 29.16 29.83 1pav h TRP 52 CO 0.01 -0.06 0.01 0.97 -1.05 0.00 0.00 178.44 178.32 1pav h ILE 53 N -0.05 0.16 -0.87 1.49 -0.00 -1.83 0.81 117.51 117.22 1pav h ILE 53 Ca 0.01 -0.02 0.34 0.00 -0.00 0.00 0.00 64.86 65.18 1pav h ILE 53 Cb 0.07 0.10 -0.13 0.00 -0.00 0.00 0.00 36.82 36.86 1pav h ILE 53 CO -0.06 0.01 0.50 1.67 -0.00 0.00 0.00 178.15 180.28 1pav n GLN 54 N -5.43 -0.04 -0.13 2.19 7.27 0.08 0.65 117.38 121.98 1pav n GLN 54 Ca 0.19 1.03 -0.18 0.00 0.07 0.00 0.00 57.00 58.11 1pav n GLN 54 Cb 0.62 -1.90 -0.12 0.00 2.41 0.00 0.00 30.24 31.25 1pav n GLN 54 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1pav n LYS 55 N -4.57 0.64 -0.37 3.69 4.01 0.25 -4.54 118.16 117.27 1pav n LYS 55 Ca 0.30 0.14 -0.10 0.00 -0.51 0.00 0.00 58.31 58.15 1pav n LYS 55 Cb 1.06 -1.51 -0.09 0.00 -0.51 0.00 0.00 35.03 33.98 1pav n LYS 55 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1pav n SER 56 N -3.24 -0.93 0.00 4.39 7.64 0.21 -4.84 113.62 116.85 1pav n SER 56 Ca -0.45 1.65 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1pav n SER 56 Cb 0.99 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1pav n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pav n GLY 57 N -1.22 1.89 3.68 0.23 0.00 -0.15 -4.78 105.19 104.83 1pav n GLY 57 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 2.37 0.36 1.61 -2.07 -1.25 0.84 119.66 121.52 1pav s GLN 58 Ca 0.00 -1.41 -0.28 0.00 -1.82 0.00 0.00 55.36 51.86 1pav s GLN 58 Cb 0.00 -2.20 -0.12 0.00 -1.09 0.00 0.00 33.01 29.60 1pav s GLN 58 CO 0.00 0.32 1.32 -1.91 -1.32 0.00 0.00 175.29 173.70 1pav n GLU 59 N -0.97 2.19 -2.49 9.60 2.13 20.18 -4.19 120.64 147.09 1pav n GLU 59 Ca -0.06 0.77 -0.43 0.00 0.66 0.00 0.00 57.16 58.10 1pav n GLU 59 Cb 0.59 -2.38 -0.02 0.00 0.27 0.00 0.00 31.44 29.90 1pav n GLU 59 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1pav s LEU 60 N -1.24 4.18 0.54 4.31 2.96 -1.26 0.27 118.68 128.44 1pav s LEU 60 Ca 0.56 1.64 0.06 0.00 -0.22 0.00 0.00 54.13 56.16 1pav s LEU 60 Cb -0.55 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 42.64 1pav s LEU 60 CO 0.62 -0.71 0.44 -0.69 -1.32 0.00 0.00 176.35 174.69 1pav s VAL 61 N 3.21 1.74 -0.18 1.68 1.01 -0.14 -3.44 120.40 124.28 1pav s VAL 61 Ca 0.52 -1.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 1pav s VAL 61 Cb -0.21 -2.18 0.06 0.00 0.00 0.00 0.00 36.38 34.05 1pav s VAL 61 CO 0.14 0.00 0.07 -0.83 0.00 0.00 0.00 175.10 174.47 1pav s GLY 62 N -4.31 0.51 -0.35 4.51 0.00 -1.26 -4.71 107.32 101.70 1pav s GLY 62 Ca 0.37 -0.48 0.04 0.00 0.00 0.00 0.00 44.72 44.65 1pav s GLY 62 CO 0.23 1.59 0.71 0.14 0.00 0.00 0.00 173.10 175.77 1pav s VAL 63 N 2.01 -0.84 -0.03 1.40 1.01 -1.26 -4.93 120.40 117.76 1pav s VAL 63 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 1pav s VAL 63 Cb -0.16 -0.32 0.03 0.00 0.00 0.00 0.00 36.38 35.92 1pav s VAL 63 CO -0.09 0.00 0.03 -0.36 0.00 0.00 0.00 175.10 174.69 1pav s PHE 64 N 2.25 0.12 -0.25 5.22 0.08 -1.26 -3.76 117.98 120.39 1pav s PHE 64 Ca 0.15 0.14 -0.19 0.00 0.12 0.00 0.00 56.93 57.14 1pav s PHE 64 Cb -0.05 -0.38 0.07 0.00 -0.57 0.00 0.00 43.02 42.09 1pav s PHE 64 CO -0.15 -0.14 0.64 0.34 -0.10 0.00 0.00 175.22 175.80 1pav s ASP 65 N 1.50 -0.74 -0.88 1.36 -1.08 -1.26 -5.03 116.67 110.54 1pav s ASP 65 Ca -0.03 1.33 0.00 0.00 -0.52 0.00 0.00 52.55 53.33 1pav s ASP 65 Cb -0.13 1.29 0.27 0.00 -1.46 0.00 0.00 42.92 42.89 1pav s ASP 65 CO -0.03 -0.23 1.05 -2.11 0.52 0.00 0.00 175.17 174.38 1pav n ARG 66 N 3.31 3.34 -0.00 4.34 0.00 -1.26 -3.45 116.66 122.93 1pav n ARG 66 Ca -0.16 -4.59 0.00 0.00 -0.00 0.00 0.00 57.85 53.10 1pav n ARG 66 Cb 0.56 -2.40 -0.01 0.00 -0.00 0.00 0.00 32.46 30.62 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 1.37 4.28 0.00 2.89 2.85 -1.26 -4.95 115.26 120.44 1pav n ASN 67 Ca 0.27 -0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.68 1pav n ASN 67 Cb 0.37 1.03 0.00 0.00 1.24 0.00 0.00 39.78 42.42 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 2.29 -0.14 3.57 8.20 0.00 -1.26 -5.12 105.19 112.74 1pav n GLY 68 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 1pav n GLY 68 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pav s TYR 69 N -1.48 -1.19 0.39 1.61 1.13 -1.23 -4.66 117.35 111.92 1pav s TYR 69 Ca 0.00 2.03 -0.22 0.00 -1.41 0.00 0.00 57.07 57.47 1pav s TYR 69 Cb 0.00 0.70 -0.10 0.00 -1.10 0.00 0.00 41.96 41.46 1pav s TYR 69 CO 0.00 -0.59 0.92 1.52 -2.51 0.00 0.00 175.55 174.89 1pav s TYR 70 N 2.79 3.43 0.31 -3.49 -0.85 22.69 -4.21 117.35 138.03 1pav s TYR 70 Ca -0.05 1.62 -0.06 0.00 -0.52 0.00 0.00 57.07 58.07 1pav s TYR 70 Cb -0.11 -2.84 0.00 0.00 0.38 0.00 0.00 41.96 39.40 1pav s TYR 70 CO -0.19 0.01 0.47 -1.83 -1.52 0.00 0.00 175.55 172.49 1pav s GLU 71 N -2.81 1.79 0.06 -3.49 4.04 -1.24 2.81 118.70 119.85 1pav s GLU 71 Ca 0.57 -1.61 -0.05 0.00 0.04 0.00 0.00 54.97 53.92 1pav s GLU 71 Cb -0.12 0.45 -0.02 0.00 0.02 0.00 0.00 34.13 34.46 1pav s GLU 71 CO 0.17 -0.74 0.08 0.42 -1.84 0.00 0.00 175.26 173.35 1pav s ILE 72 N -3.33 0.16 -0.01 1.83 -1.09 0.30 -4.06 121.20 115.01 1pav s ILE 72 Ca 0.28 -1.35 0.05 0.00 -2.23 0.00 0.00 60.65 57.40 1pav s ILE 72 Cb -0.00 -1.22 -0.01 0.00 -1.58 0.00 0.00 42.46 39.64 1pav s ILE 72 CO 0.17 -0.75 -0.15 0.68 -1.23 0.00 0.00 174.94 173.66 1pav s VAL 73 N -3.40 1.18 -0.01 2.92 -7.23 -1.26 0.56 120.40 113.16 1pav s VAL 73 Ca 0.02 -0.67 -0.01 0.00 -1.81 0.00 0.00 61.98 59.51 1pav s VAL 73 Cb 0.04 -0.99 0.00 0.00 0.56 0.00 0.00 36.38 35.99 1pav s VAL 73 CO -0.08 0.31 0.03 -0.04 -0.31 0.00 0.00 175.10 175.01 1pav s MET 74 N -0.41 0.06 -0.53 4.82 1.00 0.54 -0.97 119.30 123.81 1pav s MET 74 Ca 0.06 0.01 -0.15 0.00 0.00 0.00 0.00 55.69 55.60 1pav s MET 74 Cb -0.06 0.03 0.13 0.00 0.00 0.00 0.00 34.83 34.92 1pav s MET 74 CO -0.00 -0.01 0.48 0.21 0.00 0.00 0.00 175.02 175.70 1pav s LYS 75 N -0.08 2.93 -0.48 2.03 2.20 0.77 -0.45 119.74 126.67 1pav s LYS 75 Ca -0.01 -1.71 -0.44 0.00 -0.36 0.00 0.00 55.97 53.45 1pav s LYS 75 Cb -0.01 -4.25 -0.19 0.00 -1.51 0.00 0.00 37.83 31.87 1pav s LYS 75 CO 0.00 -1.31 1.71 1.63 -0.36 0.00 0.00 175.35 177.02 1pav n LYS 76 N 5.21 0.00 -0.19 4.03 4.76 2.51 1.67 118.16 136.14 1pav n LYS 76 Ca -0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 1pav n LYS 76 Cb 0.40 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 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 4.64 0.00 0.00 -0.18 0.31 1.53 3.37 118.33 128.00 1pav n VAL 77 Ca 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 1pav n VAL 77 Cb -0.05 0.80 0.00 0.00 -0.91 0.00 0.00 33.84 33.68 1pav n VAL 77 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80