#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 0.14 0.00 3.17 -0.08 -1.26 -4.90 116.55 113.62 1pav n ASP 2 Ca 0.00 -0.57 0.00 0.00 -1.51 0.00 0.00 54.79 52.71 1pav n ASP 2 Cb 0.00 0.84 0.00 0.00 2.34 0.00 0.00 41.12 44.30 1pav n ASP 2 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1pav n VAL 3 N -0.84 0.00 -0.73 5.18 0.31 -1.26 -2.97 118.33 118.01 1pav n VAL 3 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 1pav n VAL 3 Cb 0.00 0.00 0.38 0.00 -0.91 0.00 0.00 33.84 33.31 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 4.23 -2.52 5.55 4.81 -1.26 -4.96 118.16 124.02 1pav n LYS 4 Ca 0.00 -3.00 -0.38 0.00 -0.87 0.00 0.00 58.31 54.05 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 -2.22 4.42 -0.32 1.64 0.04 -1.16 -4.95 135.00 132.45 1pav s PRO 5 Ca 0.53 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 63.21 1pav s PRO 5 Cb 0.37 -2.88 0.06 0.00 0.04 0.00 0.00 34.50 32.09 1pav s PRO 5 CO 0.21 0.05 0.04 0.16 0.04 0.00 0.00 177.00 177.50 1pav s ASP 6 N -1.22 4.93 0.37 6.66 1.47 -1.07 -4.19 116.67 123.63 1pav s ASP 6 Ca 0.51 -1.47 -0.14 0.00 1.18 0.00 0.00 52.55 52.62 1pav s ASP 6 Cb -0.27 -1.72 0.05 0.00 -0.34 0.00 0.00 42.92 40.63 1pav s ASP 6 CO 0.34 -0.32 0.74 -0.60 0.68 0.00 0.00 175.17 176.02 1pav s ARG 7 N 1.20 2.16 -0.33 2.11 3.52 -1.26 -4.68 118.95 121.67 1pav s ARG 7 Ca -0.02 -1.45 -0.01 0.00 -0.13 0.00 0.00 55.73 54.13 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 -0.02 -1.00 0.05 0.08 -0.81 0.00 0.00 175.30 173.61 1pav s VAL 8 N -2.53 2.89 -0.22 7.11 1.01 -1.26 -4.10 120.40 123.30 1pav s VAL 8 Ca 0.17 -1.74 -0.03 0.00 0.00 0.00 0.00 61.98 60.38 1pav s VAL 8 Cb -0.05 -2.83 0.11 0.00 0.00 0.00 0.00 36.38 33.62 1pav s VAL 8 CO 0.12 -0.34 0.30 -0.63 0.00 0.00 0.00 175.10 174.55 1pav s ILE 9 N 1.16 -0.46 -0.17 2.22 -1.09 0.66 -4.95 121.20 118.56 1pav s ILE 9 Ca 0.01 -0.10 -0.12 0.00 -2.23 0.00 0.00 60.65 58.21 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 -0.03 -0.17 0.44 1.51 -1.23 0.00 0.00 174.94 175.45 1pav s ASP 10 N 2.43 -0.52 -0.11 3.58 3.84 -1.23 0.44 116.67 125.10 1pav s ASP 10 Ca 0.10 0.92 -0.01 0.00 -0.00 0.00 0.00 52.55 53.56 1pav s ASP 10 Cb -0.16 0.85 0.03 0.00 -1.38 0.00 0.00 42.92 42.26 1pav s ASP 10 CO -0.14 -0.18 -0.05 0.00 -0.00 0.00 0.00 175.17 174.80 1pav s ALA 11 N 0.99 1.19 -0.42 2.11 0.00 9.58 -4.74 121.76 130.48 1pav s ALA 11 Ca -0.06 -0.48 -0.10 0.00 0.00 0.00 0.00 51.96 51.32 1pav s ALA 11 Cb -0.06 -0.90 0.08 0.00 0.00 0.00 0.00 23.12 22.23 1pav s ALA 11 CO -0.08 -0.48 0.27 1.03 0.00 0.00 0.00 175.76 176.50 1pav s ARG 12 N 1.77 2.66 0.00 0.00 3.00 -1.26 -0.74 118.95 124.37 1pav s ARG 12 Ca 0.04 -1.43 0.00 0.00 0.00 0.00 0.00 55.73 54.35 1pav s ARG 12 Cb -0.13 -3.82 0.00 0.00 0.00 0.00 0.00 34.95 31.00 1pav s ARG 12 CO -0.07 -0.95 0.00 0.41 0.00 0.00 0.00 175.30 174.69 1pav n GLY 13 N 4.95 0.49 0.75 -3.53 0.00 -1.26 -4.74 105.19 101.85 1pav n GLY 13 Ca -0.10 -0.91 0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 1.76 2.25 0.00 1.61 2.88 -1.26 -4.42 113.62 116.43 1pav n SER 14 Ca 0.00 -1.82 0.00 0.00 -1.33 0.00 0.00 58.87 55.72 1pav n SER 14 Cb 0.13 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 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 0.71 -0.13 0.00 0.66 0.18 -1.26 5.18 117.16 122.50 1pav n TYR 15 Ca 0.17 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.95 1pav n TYR 15 Cb 0.42 0.10 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 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 -0.73 -0.43 0.00 -0.04 -0.23 0.21 135.00 133.79 1pav n PRO 17 Ca 0.00 -0.25 0.39 0.00 -0.04 0.00 0.00 63.50 63.60 1pav n PRO 17 Cb 0.00 -0.20 0.60 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.51 0.00 1.80 0.55 0.00427.80 5.50 103.07 538.20 1pav h GLY 18 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1pav h GLY 18 CO 0.04 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 175.03 1pav n PRO 19 N -3.54 0.15 -0.24 4.80 -0.04 -0.81 -3.55 135.00 131.77 1pav n PRO 19 Ca 0.32 0.10 0.31 0.00 -0.04 0.00 0.00 63.50 64.19 1pav n PRO 19 Cb 1.75 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 34.24 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 0.00 0.00 1.53 6.46 1.11 4.73 115.31 129.14 1pav h LEU 20 Ca 0.00 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.68 1pav h LEU 20 Cb 0.30 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1pav h LEU 20 CO 0.00 0.00 -1.64 0.23 -0.62 0.00 0.00 178.44 176.41 1pav n MET 21 N -3.41 0.64 -0.35 1.25 2.81 -1.23 -3.08 117.12 113.74 1pav n MET 21 Ca 0.24 0.00 0.25 0.00 -1.81 0.00 0.00 57.70 56.39 1pav n MET 21 Cb 1.48 -1.67 0.52 0.00 -0.71 0.00 0.00 33.22 32.84 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 0.33 -0.05 0.03 4.39 0.92 0.68 114.58 120.88 1pav h GLU 22 Ca -0.10 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.50 1pav h GLU 22 Cb 1.27 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1pav h GLU 22 CO 0.01 0.22 -0.29 -0.07 -1.16 0.00 0.00 179.01 177.72 1pav h LEU 23 N 0.33 0.34 -1.30 1.33 3.38 -1.71 -0.04 115.31 117.63 1pav h LEU 23 Ca 0.68 -0.68 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1pav h LEU 23 Cb 1.74 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 42.34 1pav h LEU 23 CO -0.41 0.96 0.53 0.16 0.09 0.00 0.00 178.44 179.78 1pav h ILE 24 N -0.26 0.97 0.00 1.22 3.07 -0.33 0.65 117.51 122.83 1pav h ILE 24 Ca -0.02 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 66.11 1pav h ILE 24 Cb 0.96 0.11 0.00 0.00 -0.27 0.00 0.00 36.82 37.62 1pav h ILE 24 CO 0.06 0.14 -0.22 2.29 -1.05 0.00 0.00 178.15 179.37 1pav n LYS 25 N -4.51 0.20 -0.04 0.16 -0.00 0.19 -3.68 118.16 110.48 1pav n LYS 25 Ca 0.14 0.12 -0.15 0.00 -0.00 0.00 0.00 58.31 58.41 1pav n LYS 25 Cb 0.30 -1.69 -0.13 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 2.65 -0.02 -1.50 0.58 0.00 0.21 -3.28 119.26 117.91 1pav h ALA 26 Ca 0.00 -0.55 0.45 0.00 0.00 0.00 0.00 54.91 54.81 1pav h ALA 26 Cb 0.67 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 1pav h ALA 26 CO 0.00 0.08 1.05 0.10 0.00 0.00 0.00 179.25 180.48 1pav h TYR 27 N -0.86 0.20 0.00 0.00 -0.00 -0.67 4.30 116.97 119.94 1pav h TYR 27 Ca -0.03 0.01 -0.08 0.00 0.00 0.00 0.00 58.73 58.63 1pav h TYR 27 Cb 1.14 -0.05 -0.01 0.00 0.00 0.00 0.00 36.73 37.81 1pav h TYR 27 CO 0.26 -0.06 -0.38 -0.22 -0.00 0.00 0.00 178.16 177.77 1pav h LYS 28 N 0.05 0.00 0.03 0.10 3.64 -1.70 -3.17 116.57 115.52 1pav h LYS 28 Ca 0.78 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 60.05 1pav h LYS 28 Cb 2.85 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 34.68 1pav h LYS 28 CO -0.15 0.38 -0.42 0.37 -2.27 0.00 0.00 179.45 177.36 1pav h GLN 29 N 0.00 0.24 0.00 1.90 -0.00 0.82 -3.46 115.11 114.61 1pav h GLN 29 Ca -0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 1pav h GLN 29 Cb 0.95 0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.53 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 -2.81 3.38 0.00 -0.42 -5.13 120.51 112.95 1pav n ALA 30 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 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 0.15 0.00 0.00 0.00 177.50 177.65 1pav s LYS 31 N 1.62 1.01 -0.23 0.00 1.02 -1.26 -4.91 119.74 116.99 1pav s LYS 31 Ca 0.00 -0.87 -0.37 0.00 0.02 0.00 0.00 55.97 54.75 1pav s LYS 31 Cb 0.00 0.41 -0.14 0.00 -0.52 0.00 0.00 37.83 37.59 1pav s LYS 31 CO 0.00 -0.37 1.87 1.55 -0.92 0.00 0.00 175.35 177.48 1pav n VAL 32 N -0.17 0.38 -0.03 3.17 3.14 -1.26 0.04 118.33 123.61 1pav n VAL 32 Ca -0.14 -0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 1pav n VAL 32 Cb 0.63 -1.51 0.00 0.00 -1.06 0.00 0.00 33.84 31.90 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 4.70 0.98 3.99 7.55 0.00 71.82 -4.57 105.19 189.66 1pav n GLY 33 Ca 0.28 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.58 2.38 -0.00 1.61 2.56 0.74 -4.66 118.70 120.75 1pav s GLU 34 Ca 0.00 -1.67 0.03 0.00 0.00 0.00 0.00 54.97 53.33 1pav s GLU 34 Cb 0.00 -2.52 -0.01 0.00 2.00 0.00 0.00 34.13 33.61 1pav s GLU 34 CO 0.00 -0.67 -0.09 0.14 -0.56 0.00 0.00 175.26 174.07 1pav s VAL 35 N -2.63 0.74 -0.15 3.70 -7.23 -1.25 0.78 120.40 114.35 1pav s VAL 35 Ca 0.54 -0.43 -0.12 0.00 -1.81 0.00 0.00 61.98 60.16 1pav s VAL 35 Cb -0.05 -0.63 0.05 0.00 0.56 0.00 0.00 36.38 36.31 1pav s VAL 35 CO 0.33 0.19 0.39 0.27 -0.31 0.00 0.00 175.10 175.98 1pav s ILE 36 N -0.26 -0.01 -0.12 -0.62 -0.00 0.40 -2.58 121.20 118.01 1pav s ILE 36 Ca 0.03 0.04 -0.02 0.00 -0.00 0.00 0.00 60.65 60.70 1pav s ILE 36 Cb -0.04 -0.57 -0.03 0.00 -0.00 0.00 0.00 42.46 41.83 1pav s ILE 36 CO -0.00 0.02 -0.03 -0.55 -0.00 0.00 0.00 174.94 174.37 1pav s SER 37 N 0.68 4.87 0.32 4.36 0.15 -1.26 0.15 113.70 122.98 1pav s SER 37 Ca -0.04 -0.04 0.09 0.00 0.70 0.00 0.00 55.95 56.66 1pav s SER 37 Cb -0.05 -1.58 -0.06 0.00 -1.71 0.00 0.00 66.02 62.62 1pav s SER 37 CO -0.05 0.26 -0.10 0.54 1.20 0.00 0.00 173.24 175.09 1pav s VAL 38 N -0.17 2.16 0.15 4.45 0.11 3.93 -0.24 120.40 130.79 1pav s VAL 38 Ca 0.03 -2.22 -0.13 0.00 -2.93 0.00 0.00 61.98 56.73 1pav s VAL 38 Cb -0.13 -2.55 0.01 0.00 -1.53 0.00 0.00 36.38 32.18 1pav s VAL 38 CO 0.02 -0.25 0.37 -0.72 -3.33 0.00 0.00 175.10 171.19 1pav s TYR 39 N -2.67 0.08 0.38 1.54 1.13 1.53 0.38 117.35 119.71 1pav s TYR 39 Ca 0.31 -0.44 -0.14 0.00 -1.41 0.00 0.00 57.07 55.40 1pav s TYR 39 Cb 0.02 0.15 0.05 0.00 -1.10 0.00 0.00 41.96 41.07 1pav s TYR 39 CO 0.15 -0.75 0.74 0.45 -2.51 0.00 0.00 175.55 173.63 1pav s SER 40 N -2.89 0.15 0.00 -0.18 0.15 28.31 1.19 113.70 140.42 1pav s SER 40 Ca 0.10 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.56 1pav s SER 40 Cb 0.02 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 1pav s SER 40 CO -0.05 -1.62 0.00 0.41 1.20 0.00 0.00 173.24 173.18 1pav n THR 41 N -0.53 0.00 -0.32 6.45 -1.04 0.08 2.21 114.28 121.13 1pav n THR 41 Ca -0.07 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.00 1pav n THR 41 Cb 0.60 -0.22 0.15 0.00 -1.82 0.00 0.00 70.33 69.04 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 -0.74 0.00 8.00 -0.00 -1.85 -3.43 116.42 118.40 1pav h ASP 42 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 57.03 57.30 1pav h ASP 42 Cb 0.28 0.53 0.00 0.00 -0.00 0.00 0.00 39.33 40.14 1pav h ASP 42 CO 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 179.24 178.94 1pav n ALA 43 N -3.38 0.00 -0.00 -0.78 0.00 -1.26 -4.91 120.51 110.18 1pav n ALA 43 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1pav n ALA 43 Cb 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.87 -0.07 0.11 0.00 0.00 -1.26 -4.62 105.19 97.49 1pav n GLY 44 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 1pav n GLY 44 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1pav h THR 45 N 0.00 1.07 -1.29 2.61 1.35 1.38 0.15 112.91 118.19 1pav h THR 45 Ca -0.01 -2.55 0.37 0.00 -0.55 0.00 0.00 66.41 63.68 1pav h THR 45 Cb 0.36 2.52 -0.07 0.00 -1.73 0.00 0.00 68.15 69.23 1pav h THR 45 CO 0.00 0.61 0.91 0.11 -0.25 0.00 0.00 175.52 176.90 1pav h LYS 46 N 0.00 0.06 0.08 4.72 1.57 -1.49 19.56 116.57 141.08 1pav h LYS 46 Ca -0.02 -0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.45 1pav h LYS 46 Cb 1.52 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.79 1pav h LYS 46 CO 0.08 0.04 -1.65 1.57 -0.57 0.00 0.00 179.45 178.92 1pav h LYS 47 N 0.06 0.18 0.00 3.15 -0.00 -1.54 -3.36 116.57 115.06 1pav h LYS 47 Ca 0.64 -0.31 -0.13 0.00 -0.00 0.00 0.00 60.65 60.86 1pav h LYS 47 Cb 2.40 0.11 -0.02 0.00 -0.00 0.00 0.00 32.23 34.73 1pav h LYS 47 CO -0.08 1.15 -0.60 -0.44 -0.00 0.00 0.00 179.45 179.48 1pav h ASP 48 N -0.34 0.00 -0.97 7.07 3.32 0.67 -3.28 116.42 122.89 1pav h ASP 48 Ca -0.38 0.00 0.22 0.00 0.02 0.00 0.00 57.03 56.89 1pav h ASP 48 Cb 1.75 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 41.12 1pav h ASP 48 CO -0.01 0.60 -0.15 0.00 -1.72 0.00 0.00 179.24 177.96 1pav h ALA 49 N 1.40 0.82 0.00 3.45 0.00 4.64 5.78 119.26 135.36 1pav h ALA 49 Ca -0.01 0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1pav h ALA 49 Cb 1.39 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1pav h ALA 49 CO 0.08 -0.45 0.00 -0.35 0.00 0.00 0.00 179.25 178.53 1pav n PRO 50 N -5.57 0.75 -0.09 0.00 -0.04 -1.24 -2.43 135.00 126.39 1pav n PRO 50 Ca 0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.51 1pav n PRO 50 Cb 0.58 -1.37 -0.14 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.87 1.44 0.30 0.55 0.00 1.86 -3.82 120.51 119.97 1pav n ALA 51 Ca 0.13 -1.14 -0.13 0.00 0.00 0.00 0.00 53.44 52.30 1pav n ALA 51 Cb 0.06 -0.29 -0.07 0.00 0.00 0.00 0.00 19.45 19.15 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 0.01 -0.88 -1.03 0.00 6.55 -0.75 -1.76 115.95 118.08 1pav h TRP 52 Ca -0.51 -0.01 0.26 0.00 0.95 0.00 0.00 58.89 59.58 1pav h TRP 52 Cb 2.10 0.31 -0.08 0.00 -0.86 0.00 0.00 29.16 30.64 1pav h TRP 52 CO 0.01 -0.50 0.68 0.97 -1.05 0.00 0.00 178.44 178.55 1pav h ILE 53 N -0.83 0.54 -0.97 1.49 -0.00 -1.78 1.53 117.51 117.49 1pav h ILE 53 Ca -0.07 -0.12 0.17 0.00 -0.00 0.00 0.00 64.86 64.84 1pav h ILE 53 Cb 0.66 0.17 -0.09 0.00 -0.00 0.00 0.00 36.82 37.56 1pav h ILE 53 CO 0.08 0.06 0.61 -0.61 -0.00 0.00 0.00 178.15 178.29 1pav h GLN 54 N 0.34 0.71 0.00 2.19 4.15 -1.43 0.35 115.11 121.42 1pav h GLN 54 Ca 0.56 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.82 1pav h GLN 54 Cb 1.54 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 29.05 1pav h GLN 54 CO -0.23 0.47 -2.12 0.36 -1.93 0.00 0.00 178.83 175.38 1pav n LYS 55 N -4.65 0.67 0.41 1.69 0.00 0.21 -4.50 118.16 111.99 1pav n LYS 55 Ca 0.21 -0.14 -0.17 0.00 -0.00 0.00 0.00 58.31 58.21 1pav n LYS 55 Cb 0.53 -1.52 -0.08 0.00 -0.00 0.00 0.00 35.03 33.96 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 -0.96 0.00 -5.58 0.02 0.31 -3.48 113.55 103.86 1pav h SER 56 Ca -0.18 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1pav h SER 56 Cb 1.40 0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.20 1pav h SER 56 CO 0.01 -0.65 0.00 0.61 -1.14 0.00 0.00 176.83 175.66 1pav n GLY 57 N -1.53 1.90 3.65 -3.77 0.00 -0.01 -4.68 105.19 100.75 1pav n GLY 57 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 2.24 0.27 1.61 -2.07 -1.23 0.78 119.66 121.26 1pav s GLN 58 Ca 0.00 -1.52 -0.31 0.00 -1.82 0.00 0.00 55.36 51.71 1pav s GLN 58 Cb 0.00 -2.10 -0.13 0.00 -1.09 0.00 0.00 33.01 29.69 1pav s GLN 58 CO 0.00 0.27 1.45 0.39 -1.32 0.00 0.00 175.29 176.08 1pav n GLU 59 N -0.94 2.24 -2.42 9.60 -0.58 22.12 -4.21 120.64 146.45 1pav n GLU 59 Ca -0.05 0.79 -0.43 0.00 -0.42 0.00 0.00 57.16 57.05 1pav n GLU 59 Cb 0.60 -2.48 -0.02 0.00 -0.57 0.00 0.00 31.44 28.97 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 -0.20 3.58 0.69 -4.62 2.96 -1.26 0.24 118.68 120.08 1pav s LEU 60 Ca 0.66 0.69 0.04 0.00 -0.22 0.00 0.00 54.13 55.29 1pav s LEU 60 Cb -0.60 -3.51 0.13 0.00 0.50 0.00 0.00 46.19 42.71 1pav s LEU 60 CO 0.51 -1.41 0.95 -0.69 -1.32 0.00 0.00 176.35 174.38 1pav s VAL 61 N 5.24 2.01 -0.13 1.68 1.01 -0.58 -2.37 120.40 127.26 1pav s VAL 61 Ca 0.57 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1pav s VAL 61 Cb -0.12 -2.24 0.05 0.00 0.00 0.00 0.00 36.38 34.08 1pav s VAL 61 CO 0.32 0.00 0.05 -0.83 0.00 0.00 0.00 175.10 174.64 1pav s GLY 62 N -4.77 0.44 -0.30 4.51 0.00 -1.26 -4.67 107.32 101.27 1pav s GLY 62 Ca 0.66 -0.27 -0.02 0.00 0.00 0.00 0.00 44.72 45.09 1pav s GLY 62 CO 0.43 1.45 0.72 -1.34 0.00 0.00 0.00 173.10 174.36 1pav s VAL 63 N 2.03 -0.81 -0.02 1.40 -7.23 -1.26 -4.90 120.40 109.61 1pav s VAL 63 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.20 1pav s VAL 63 Cb -0.15 -0.92 0.03 0.00 0.56 0.00 0.00 36.38 35.90 1pav s VAL 63 CO -0.07 0.00 0.01 -0.36 -0.31 0.00 0.00 175.10 174.38 1pav s PHE 64 N 2.88 0.17 -0.26 2.82 0.08 -1.26 -3.92 117.98 118.49 1pav s PHE 64 Ca 0.15 0.06 -0.12 0.00 0.12 0.00 0.00 56.93 57.13 1pav s PHE 64 Cb -0.11 -0.31 0.09 0.00 -0.57 0.00 0.00 43.02 42.12 1pav s PHE 64 CO -0.21 -0.10 0.61 0.34 -0.10 0.00 0.00 175.22 175.75 1pav s ASP 65 N 0.97 -0.87 -0.87 1.36 -1.08 -1.26 -5.04 116.67 109.87 1pav s ASP 65 Ca -0.09 1.39 0.00 0.00 -0.52 0.00 0.00 52.55 53.34 1pav s ASP 65 Cb -0.12 1.60 0.27 0.00 -1.46 0.00 0.00 42.92 43.21 1pav s ASP 65 CO -0.02 -0.23 1.04 -2.11 0.52 0.00 0.00 175.17 174.38 1pav n ARG 66 N 4.81 3.32 -0.00 4.34 0.00 -1.26 -3.59 116.66 124.28 1pav n ARG 66 Ca -0.16 -4.58 0.00 0.00 -0.00 0.00 0.00 57.85 53.10 1pav n ARG 66 Cb 0.54 -2.39 -0.01 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 1.38 4.62 0.00 2.89 2.85 -1.26 -4.97 115.26 120.77 1pav n ASN 67 Ca 0.26 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 1pav n ASN 67 Cb 0.37 0.86 0.00 0.00 1.24 0.00 0.00 39.78 42.25 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 2.61 -0.19 3.39 8.20 0.00 -1.26 -5.12 105.19 112.81 1pav n GLY 68 Ca -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.55 -0.92 1.02 1.61 1.13 -1.23 -4.56 117.35 112.84 1pav s TYR 69 Ca 0.00 1.74 -0.16 0.00 -1.41 0.00 0.00 57.07 57.24 1pav s TYR 69 Cb 0.00 0.45 0.21 0.00 -1.10 0.00 0.00 41.96 41.52 1pav s TYR 69 CO 0.00 -0.51 1.22 -0.47 -2.51 0.00 0.00 175.55 173.28 1pav s TYR 70 N 2.40 1.44 -0.18 -3.49 5.04 39.25 -4.35 117.35 157.45 1pav s TYR 70 Ca -0.05 0.47 -0.35 0.00 -2.44 0.00 0.00 57.07 54.70 1pav s TYR 70 Cb -0.11 -3.78 0.14 0.00 0.35 0.00 0.00 41.96 38.57 1pav s TYR 70 CO -0.15 -2.96 1.30 -1.83 -1.34 0.00 0.00 175.55 170.57 1pav s GLU 71 N -5.64 0.21 0.06 4.97 -1.05 -1.24 1.93 118.70 117.93 1pav s GLU 71 Ca 0.71 -0.09 -0.05 0.00 -0.15 0.00 0.00 54.97 55.39 1pav s GLU 71 Cb -0.08 0.09 -0.02 0.00 -0.44 0.00 0.00 34.13 33.68 1pav s GLU 71 CO 0.54 -0.09 0.08 0.42 0.95 0.00 0.00 175.26 177.16 1pav s ILE 72 N -2.26 0.16 0.19 1.83 -1.09 1.23 -4.09 121.20 117.17 1pav s ILE 72 Ca 0.11 -1.35 0.11 0.00 -2.23 0.00 0.00 60.65 57.29 1pav s ILE 72 Cb 0.01 -1.22 -0.04 0.00 -1.58 0.00 0.00 42.46 39.62 1pav s ILE 72 CO -0.04 -0.75 -0.19 0.68 -1.23 0.00 0.00 174.94 173.41 1pav s VAL 73 N -3.40 2.63 -0.17 2.92 -7.23 -1.26 0.76 120.40 114.67 1pav s VAL 73 Ca 0.02 -1.93 -0.11 0.00 -1.81 0.00 0.00 61.98 58.15 1pav s VAL 73 Cb 0.04 -2.28 0.05 0.00 0.56 0.00 0.00 36.38 34.75 1pav s VAL 73 CO -0.08 -0.13 0.41 -0.04 -0.31 0.00 0.00 175.10 174.95 1pav s MET 74 N -2.76 0.42 -0.52 4.82 1.00 0.40 -1.53 119.30 121.14 1pav s MET 74 Ca 0.22 0.72 -0.15 0.00 0.00 0.00 0.00 55.69 56.49 1pav s MET 74 Cb -0.08 0.06 0.13 0.00 0.00 0.00 0.00 34.83 34.94 1pav s MET 74 CO 0.12 -0.12 0.46 0.21 0.00 0.00 0.00 175.02 175.69 1pav s LYS 75 N 1.01 2.88 -0.45 2.03 2.20 0.68 0.15 119.74 128.23 1pav s LYS 75 Ca -0.06 -1.71 -0.42 0.00 -0.36 0.00 0.00 55.97 53.41 1pav s LYS 75 Cb -0.07 -4.22 -0.18 0.00 -1.51 0.00 0.00 37.83 31.86 1pav s LYS 75 CO -0.08 -1.29 1.59 1.63 -0.36 0.00 0.00 175.35 176.84 1pav n LYS 76 N 5.18 0.00 -0.84 4.03 4.76 4.07 1.73 118.16 137.09 1pav n LYS 76 Ca -0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1pav n LYS 76 Cb 0.40 -1.36 -0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1pav n LYS 76 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1pav n VAL 77 N 4.28 0.00 0.00 -0.18 0.24 1.71 2.84 118.33 127.22 1pav n VAL 77 Ca 0.34 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1pav n VAL 77 Cb -0.05 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1pav n VAL 77 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98