#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 0.00 0.00 7.83 2.03 -1.26 -4.64 116.55 120.51 1pav n ASP 2 Ca 0.00 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.81 1pav n ASP 2 Cb 0.00 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 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 -1.12 0.00 -0.74 5.18 3.14 -1.26 -3.29 118.33 120.24 1pav n VAL 3 Ca 0.16 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.63 1pav n VAL 3 Cb 0.13 0.00 0.38 0.00 -1.06 0.00 0.00 33.84 33.30 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 4.21 -2.52 1.45 4.81 -1.26 -4.96 118.16 119.88 1pav n LYS 4 Ca 0.00 -3.02 -0.38 0.00 -0.87 0.00 0.00 58.31 54.04 1pav n LYS 4 Cb 0.00 -2.05 -0.04 0.00 0.02 0.00 0.00 35.03 32.96 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 -2.20 4.39 -0.33 1.64 0.04 -1.21 -4.93 135.00 132.41 1pav s PRO 5 Ca 0.53 1.64 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 1pav s PRO 5 Cb 0.37 -2.85 0.06 0.00 0.04 0.00 0.00 34.50 32.12 1pav s PRO 5 CO 0.22 0.03 0.07 0.34 0.04 0.00 0.00 177.00 177.70 1pav s ASP 6 N -1.26 5.05 0.37 6.66 3.68 -1.12 -4.02 116.67 126.05 1pav s ASP 6 Ca 0.51 -1.45 -0.14 0.00 2.13 0.00 0.00 52.55 53.60 1pav s ASP 6 Cb -0.26 -1.77 0.05 0.00 -1.45 0.00 0.00 42.92 39.49 1pav s ASP 6 CO 0.33 -0.34 0.75 -0.60 0.13 0.00 0.00 175.17 175.44 1pav s ARG 7 N 1.24 2.17 -0.33 4.34 3.52 -1.26 -4.80 118.95 123.83 1pav s ARG 7 Ca -0.01 -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 0.07 0.00 -1.56 0.00 0.00 34.95 33.86 1pav s ARG 7 CO -0.01 -1.00 0.06 0.08 -0.81 0.00 0.00 175.30 173.61 1pav s VAL 8 N -2.50 2.93 -0.22 7.11 1.01 -1.26 -4.25 120.40 123.22 1pav s VAL 8 Ca 0.17 -1.71 -0.03 0.00 0.00 0.00 0.00 61.98 60.40 1pav s VAL 8 Cb -0.05 -2.84 0.11 0.00 0.00 0.00 0.00 36.38 33.60 1pav s VAL 8 CO 0.12 -0.33 0.30 -0.51 0.00 0.00 0.00 175.10 174.68 1pav s ILE 9 N 1.17 -0.46 -0.17 2.22 2.07 -0.59 -4.98 121.20 120.45 1pav s ILE 9 Ca 0.00 -0.10 -0.12 0.00 -1.41 0.00 0.00 60.65 59.03 1pav s ILE 9 Cb -0.21 -0.74 0.05 0.00 0.13 0.00 0.00 42.46 41.70 1pav s ILE 9 CO -0.03 -0.17 0.43 1.51 -1.91 0.00 0.00 174.94 174.77 1pav s ASP 10 N 2.43 -0.51 -0.08 4.50 3.84 -1.25 0.29 116.67 125.89 1pav s ASP 10 Ca 0.10 0.91 -0.01 0.00 -0.00 0.00 0.00 52.55 53.54 1pav s ASP 10 Cb -0.16 0.83 0.03 0.00 -1.38 0.00 0.00 42.92 42.25 1pav s ASP 10 CO -0.14 -0.18 -0.00 0.00 -0.00 0.00 0.00 175.17 174.85 1pav s ALA 11 N 1.00 0.78 -0.47 2.11 0.00 5.77 -4.76 121.76 126.19 1pav s ALA 11 Ca -0.06 -0.21 -0.10 0.00 0.00 0.00 0.00 51.96 51.59 1pav s ALA 11 Cb -0.06 -0.79 0.11 0.00 0.00 0.00 0.00 23.12 22.37 1pav s ALA 11 CO -0.08 -0.50 0.34 1.03 0.00 0.00 0.00 175.76 176.54 1pav s ARG 12 N 1.94 2.59 0.00 0.00 3.00 -1.26 -1.89 118.95 123.32 1pav s ARG 12 Ca 0.05 -1.66 0.00 0.00 0.00 0.00 0.00 55.73 54.11 1pav s ARG 12 Cb -0.13 -3.94 0.00 0.00 0.00 0.00 0.00 34.95 30.89 1pav s ARG 12 CO -0.06 -1.14 0.00 0.41 0.00 0.00 0.00 175.30 174.51 1pav n GLY 13 N 4.96 0.83 0.39 -3.53 0.00 -1.26 -4.79 105.19 101.80 1pav n GLY 13 Ca -0.09 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 0.99 1.22 0.00 1.61 2.88 -1.26 -4.35 113.62 114.71 1pav n SER 14 Ca 0.00 -1.47 0.00 0.00 -1.33 0.00 0.00 58.87 56.07 1pav n SER 14 Cb 0.07 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 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 -0.03 -0.15 0.00 0.66 4.11 -1.26 3.71 117.16 124.20 1pav n TYR 15 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.09 1pav n TYR 15 Cb 0.29 0.10 0.00 0.00 -0.00 0.00 0.00 39.34 39.74 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 2.86 0.26 0.00 -0.04 0.41 0.32 135.00 138.81 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 0.69 0.00 -0.04 0.00 0.00 33.50 34.15 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 0.00165.26 -0.60 103.07 270.28 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 -3.86 0.03 -0.51 4.80 -0.04 -1.10 -3.55 135.00 130.76 1pav n PRO 19 Ca -0.02 0.15 0.43 0.00 -0.04 0.00 0.00 63.50 64.02 1pav n PRO 19 Cb 0.22 -1.55 0.67 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.25 5.31 115.31 127.36 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 0.40 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 1pav h LEU 20 CO 0.00 0.00 -1.66 0.23 -0.62 0.00 0.00 178.44 176.39 1pav n MET 21 N -3.66 0.64 -0.24 1.25 2.81 -1.23 -3.36 117.12 113.34 1pav n MET 21 Ca 0.36 0.00 0.20 0.00 -1.81 0.00 0.00 57.70 56.45 1pav n MET 21 Cb 1.83 -1.66 0.53 0.00 -0.71 0.00 0.00 33.22 33.21 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 0.36 0.06 0.03 3.07 1.05 1.10 114.58 120.26 1pav h GLU 22 Ca -0.11 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1pav h GLU 22 Cb 1.29 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1pav h GLU 22 CO 0.01 0.24 -0.03 -0.07 -1.40 0.00 0.00 179.01 177.76 1pav h LEU 23 N 0.37 -0.07 -0.78 1.33 3.38 -1.67 0.16 115.31 118.03 1pav h LEU 23 Ca 0.47 -0.54 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1pav h LEU 23 Cb 1.21 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 1pav h LEU 23 CO -0.17 0.56 0.48 0.16 0.09 0.00 0.00 178.44 179.56 1pav h ILE 24 N -0.76 1.05 0.00 1.22 3.07 -1.28 0.40 117.51 121.21 1pav h ILE 24 Ca -0.01 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 66.09 1pav h ILE 24 Cb 0.61 0.08 0.00 0.00 -0.27 0.00 0.00 36.82 37.24 1pav h ILE 24 CO 0.01 0.16 0.00 2.29 -1.05 0.00 0.00 178.15 179.57 1pav n LYS 25 N -4.66 0.17 0.10 0.16 -0.00 0.37 -2.95 118.16 111.35 1pav n LYS 25 Ca 0.10 0.23 -0.23 0.00 -0.00 0.00 0.00 58.31 58.41 1pav n LYS 25 Cb 0.14 -1.74 -0.15 0.00 -0.00 0.00 0.00 35.03 33.28 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 0.00 -1.60 0.58 0.00 0.26 -3.30 119.26 117.75 1pav h ALA 26 Ca 0.00 -0.98 0.47 0.00 0.00 0.00 0.00 54.91 54.40 1pav h ALA 26 Cb 0.56 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1pav h ALA 26 CO 0.00 0.81 1.14 0.10 0.00 0.00 0.00 179.25 181.30 1pav h TYR 27 N 0.04 0.07 0.00 0.00 -0.00 -0.36 4.89 116.97 121.61 1pav h TYR 27 Ca -0.29 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.38 1pav h TYR 27 Cb 2.06 -0.02 -0.01 0.00 0.00 0.00 0.00 36.73 38.76 1pav h TYR 27 CO 0.12 -0.02 -0.28 0.87 -0.00 0.00 0.00 178.16 178.85 1pav h LYS 28 N 0.02 0.00 0.03 0.10 1.57 -1.71 -3.25 116.57 113.33 1pav h LYS 28 Ca 0.78 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.46 1pav h LYS 28 Cb 3.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 35.36 1pav h LYS 28 CO -0.06 0.28 -0.41 0.37 -0.57 0.00 0.00 179.45 179.06 1pav h GLN 29 N 0.00 0.23 0.00 3.15 4.15 0.96 -3.46 115.11 120.14 1pav h GLN 29 Ca -0.00 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1pav h GLN 29 Cb 1.11 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1pav h GLN 29 CO 0.04 1.03 0.00 0.00 -1.93 0.00 0.00 178.83 177.97 1pav n ALA 30 N -2.58 0.00 -2.86 3.38 0.00 -0.41 -5.13 120.51 112.91 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 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 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 1.01 0.92 0.34 0.00 1.02 -1.26 -4.94 119.74 116.83 1pav s LYS 31 Ca 0.00 -0.72 -0.27 0.00 0.02 0.00 0.00 55.97 55.00 1pav s LYS 31 Cb 0.00 0.39 -0.13 0.00 -0.52 0.00 0.00 37.83 37.57 1pav s LYS 31 CO 0.00 -0.32 0.99 1.55 -0.92 0.00 0.00 175.35 176.65 1pav n VAL 32 N 0.07 2.10 -0.99 3.17 3.14 -1.24 -0.49 118.33 124.09 1pav n VAL 32 Ca -0.16 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.72 1pav n VAL 32 Cb 0.62 -1.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.36 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 1.23 0.72 3.91 7.55 0.00 53.77 -4.62 105.19 167.76 1pav n GLY 33 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.06 2.31 0.06 1.61 2.12 0.87 -4.69 118.70 120.92 1pav s GLU 34 Ca 0.00 -1.88 -0.00 0.00 0.36 0.00 0.00 54.97 53.45 1pav s GLU 34 Cb 0.00 -2.21 -0.04 0.00 0.26 0.00 0.00 34.13 32.14 1pav s GLU 34 CO 0.00 -0.56 -0.04 0.14 -0.54 0.00 0.00 175.26 174.27 1pav s VAL 35 N -2.70 0.29 -0.15 3.70 -7.23 -1.19 1.73 120.40 114.85 1pav s VAL 35 Ca 0.40 -1.77 -0.13 0.00 -1.81 0.00 0.00 61.98 58.68 1pav s VAL 35 Cb -0.03 -1.46 0.04 0.00 0.56 0.00 0.00 36.38 35.49 1pav s VAL 35 CO 0.25 -0.94 0.39 0.27 -0.31 0.00 0.00 175.10 174.76 1pav s ILE 36 N -3.70 -0.00 -0.16 -0.62 -5.25 0.51 -2.78 121.20 109.20 1pav s ILE 36 Ca 0.06 0.01 -0.06 0.00 -0.99 0.00 0.00 60.65 59.67 1pav s ILE 36 Cb 0.06 -0.55 -0.04 0.00 2.95 0.00 0.00 42.46 44.88 1pav s ILE 36 CO -0.09 0.00 0.03 -0.94 -1.79 0.00 0.00 174.94 172.16 1pav s SER 37 N 0.32 5.41 0.39 4.36 1.04 -1.26 0.93 113.70 124.90 1pav s SER 37 Ca -0.01 0.05 0.07 0.00 0.48 0.00 0.00 55.95 56.54 1pav s SER 37 Cb -0.03 -1.87 -0.08 0.00 0.10 0.00 0.00 66.02 64.14 1pav s SER 37 CO -0.01 0.21 0.01 0.54 0.98 0.00 0.00 173.24 174.96 1pav s VAL 38 N 0.17 1.91 0.15 5.02 0.11 2.30 -1.55 120.40 128.52 1pav s VAL 38 Ca 0.03 -2.02 -0.13 0.00 -2.93 0.00 0.00 61.98 56.93 1pav s VAL 38 Cb -0.13 -2.94 0.01 0.00 -1.53 0.00 0.00 36.38 31.80 1pav s VAL 38 CO 0.01 -0.02 0.37 -0.72 -3.33 0.00 0.00 175.10 171.41 1pav s TYR 39 N -2.78 0.08 0.24 1.54 1.13 0.85 0.54 117.35 118.96 1pav s TYR 39 Ca 0.35 -0.44 -0.20 0.00 -1.41 0.00 0.00 57.07 55.37 1pav s TYR 39 Cb 0.09 0.14 0.07 0.00 -1.10 0.00 0.00 41.96 41.17 1pav s TYR 39 CO 0.17 -0.75 0.98 0.45 -2.51 0.00 0.00 175.55 173.90 1pav s SER 40 N -2.89 0.03 0.00 -0.18 0.15 61.13 0.93 113.70 172.86 1pav s SER 40 Ca 0.10 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.92 1pav s SER 40 Cb 0.02 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 1pav s SER 40 CO -0.05 -1.19 0.00 0.41 1.20 0.00 0.00 173.24 173.61 1pav n THR 41 N -0.68 0.00 0.15 6.45 -1.04 -0.79 1.58 114.28 119.95 1pav n THR 41 Ca -0.04 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.13 1pav n THR 41 Cb 0.59 -0.25 0.53 0.00 -1.82 0.00 0.00 70.33 69.39 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 -1.20 8.00 3.58 -1.87 -3.44 116.42 121.49 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 0.27 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.24 1pav h ASP 42 CO 0.00 0.00 -0.31 0.00 -2.88 0.00 0.00 179.24 176.05 1pav n ALA 43 N -1.99 -0.30 -0.08 -0.78 0.00 -1.26 -4.74 120.51 111.35 1pav n ALA 43 Ca 0.06 0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.57 1pav n ALA 43 Cb 0.83 -1.63 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.12 -0.24 0.25 0.00 0.00 -1.23 -4.50 105.19 98.36 1pav n GLY 44 Ca -0.16 -0.10 0.10 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 -0.11 0.76 -1.03 2.61 1.03 2.91 1.21 112.91 120.28 1pav h THR 45 Ca -0.38 -0.50 0.26 0.00 -0.01 0.00 0.00 66.41 65.78 1pav h THR 45 Cb 1.54 1.30 -0.09 0.00 -1.07 0.00 0.00 68.15 69.82 1pav h THR 45 CO -0.10 0.12 0.67 0.50 -0.01 0.00 0.00 175.52 176.71 1pav h LYS 46 N 0.00 0.38 0.12 0.00 3.64 -1.72 36.95 116.57 155.93 1pav h LYS 46 Ca -0.00 -0.02 -0.36 0.00 -1.27 0.00 0.00 60.65 58.99 1pav h LYS 46 Cb 0.29 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1pav h LYS 46 CO 0.02 0.25 -2.01 0.36 -2.27 0.00 0.00 179.45 175.80 1pav n LYS 47 N -4.61 0.75 0.06 1.90 0.00 -0.81 -4.15 118.16 111.30 1pav n LYS 47 Ca 0.25 0.26 -0.19 0.00 -0.00 0.00 0.00 58.31 58.62 1pav n LYS 47 Cb 0.87 -1.71 -0.14 0.00 -0.00 0.00 0.00 35.03 34.05 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 0.46 -0.99 -5.58 3.32 0.72 -3.34 116.42 111.09 1pav h ASP 48 Ca -0.43 -0.71 0.29 0.00 0.02 0.00 0.00 57.03 56.21 1pav h ASP 48 Cb 2.03 -0.15 -0.18 0.00 0.22 0.00 0.00 39.33 41.25 1pav h ASP 48 CO 0.08 1.60 0.11 0.00 -1.72 0.00 0.00 179.24 179.32 1pav h ALA 49 N 0.33 1.33 0.00 3.45 0.00 9.06 6.66 119.26 140.09 1pav h ALA 49 Ca -0.31 0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pav h ALA 49 Cb 2.05 0.55 0.00 0.00 0.00 0.00 0.00 17.79 20.39 1pav h ALA 49 CO 0.15 -0.63 0.00 -0.35 0.00 0.00 0.00 179.25 178.43 1pav n PRO 50 N -5.45 0.75 -0.08 0.00 -0.04 -1.23 -2.51 135.00 126.45 1pav n PRO 50 Ca 0.25 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.62 1pav n PRO 50 Cb 0.84 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.92 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 -0.78 1.62 -0.00 0.55 0.00 2.13 -4.33 120.51 119.71 1pav n ALA 51 Ca 0.10 -0.89 -0.00 0.00 0.00 0.00 0.00 53.44 52.65 1pav n ALA 51 Cb 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.02 -0.96 0.00 6.55 -0.73 0.38 115.95 121.17 1pav h TRP 52 Ca -0.41 0.00 0.26 0.00 0.95 0.00 0.00 58.89 59.69 1pav h TRP 52 Cb 1.78 0.01 -0.18 0.00 -0.86 0.00 0.00 29.16 29.91 1pav h TRP 52 CO 0.01 -0.01 0.04 0.97 -1.05 0.00 0.00 178.44 178.41 1pav h ILE 53 N -0.00 0.07 -0.75 1.49 -0.00 -1.80 0.77 117.51 117.28 1pav h ILE 53 Ca 0.00 -0.01 0.29 0.00 -0.00 0.00 0.00 64.86 65.14 1pav h ILE 53 Cb 0.01 0.03 -0.11 0.00 -0.00 0.00 0.00 36.82 36.75 1pav h ILE 53 CO -0.01 0.01 0.44 1.67 -0.00 0.00 0.00 178.15 180.26 1pav n GLN 54 N -5.46 -0.03 -0.13 2.19 7.27 0.12 0.12 117.38 121.46 1pav n GLN 54 Ca 0.22 0.88 -0.17 0.00 0.07 0.00 0.00 57.00 58.00 1pav n GLN 54 Cb 0.73 -1.64 -0.12 0.00 2.41 0.00 0.00 30.24 31.63 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 -4.32 0.64 -0.26 3.69 4.01 0.25 -4.56 118.16 117.61 1pav n LYS 55 Ca 0.26 0.14 -0.08 0.00 -0.51 0.00 0.00 58.31 58.12 1pav n LYS 55 Cb 0.92 -1.51 -0.07 0.00 -0.51 0.00 0.00 35.03 33.86 1pav n LYS 55 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 1pav h SER 56 N 0.00 -1.50 0.00 4.39 0.02 0.28 -3.46 113.55 113.28 1pav h SER 56 Ca -0.57 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1pav h SER 56 Cb 1.88 0.65 0.00 0.00 0.14 0.00 0.00 62.40 65.08 1pav h SER 56 CO -0.09 -0.18 0.00 0.61 -1.14 0.00 0.00 176.83 176.03 1pav n GLY 57 N -1.19 1.89 3.69 -3.77 0.00 -0.04 -4.77 105.19 101.00 1pav n GLY 57 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 2.48 0.26 1.61 0.00 -1.24 0.49 119.66 123.26 1pav s GLN 58 Ca 0.00 -1.22 -0.31 0.00 -0.00 0.00 0.00 55.36 53.83 1pav s GLN 58 Cb 0.00 -2.33 -0.13 0.00 0.00 0.00 0.00 33.01 30.56 1pav s GLN 58 CO 0.00 0.41 1.46 0.39 0.00 0.00 0.00 175.29 177.55 1pav n GLU 59 N -0.67 2.25 -2.50 9.60 1.02 22.01 -4.10 120.64 148.25 1pav n GLU 59 Ca -0.08 0.80 -0.43 0.00 -0.02 0.00 0.00 57.16 57.43 1pav n GLU 59 Cb 0.57 -2.49 -0.02 0.00 -0.02 0.00 0.00 31.44 29.48 1pav n GLU 59 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1pav s LEU 60 N -0.13 4.22 0.00 -4.62 2.96 -1.26 0.35 118.68 120.20 1pav s LEU 60 Ca 0.66 1.68 0.08 0.00 -0.22 0.00 0.00 54.13 56.33 1pav s LEU 60 Cb -0.60 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 42.62 1pav s LEU 60 CO 0.50 -0.63 0.62 1.33 -1.32 0.00 0.00 176.35 176.85 1pav n VAL 61 N 4.94 0.00 -3.61 1.68 0.24 -1.18 1.56 118.33 121.96 1pav n VAL 61 Ca 0.12 -2.08 -0.29 0.00 -2.04 0.00 0.00 64.34 60.05 1pav n VAL 61 Cb 0.46 -0.27 -0.15 0.00 -1.47 0.00 0.00 33.84 32.40 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 -4.48 0.62 -0.29 7.63 0.00 -1.26 -4.11 107.32 105.43 1pav s GLY 62 Ca 0.47 -1.08 0.05 0.00 0.00 0.00 0.00 44.72 44.17 1pav s GLY 62 CO 0.30 1.86 0.58 -1.34 0.00 0.00 0.00 173.10 174.49 1pav s VAL 63 N 1.97 -0.97 -0.06 1.40 -7.23 -1.26 -5.01 120.40 109.24 1pav s VAL 63 Ca 0.07 -0.02 -0.02 0.00 -1.81 0.00 0.00 61.98 60.20 1pav s VAL 63 Cb -0.16 -1.00 0.04 0.00 0.56 0.00 0.00 36.38 35.82 1pav s VAL 63 CO -0.28 -0.02 0.11 -0.36 -0.31 0.00 0.00 175.10 174.24 1pav s PHE 64 N 2.81 -0.10 -0.25 2.82 0.08 -1.26 -4.08 117.98 118.01 1pav s PHE 64 Ca 0.11 0.40 -0.19 0.00 0.12 0.00 0.00 56.93 57.36 1pav s PHE 64 Cb -0.11 -0.19 0.07 0.00 -0.57 0.00 0.00 43.02 42.22 1pav s PHE 64 CO -0.26 -0.17 0.64 -0.51 -0.10 0.00 0.00 175.22 174.82 1pav s ASP 65 N 1.42 -0.74 -0.87 1.36 1.01 -1.26 -5.05 116.67 112.53 1pav s ASP 65 Ca -0.06 1.33 0.00 0.00 0.71 0.00 0.00 52.55 54.53 1pav s ASP 65 Cb -0.12 1.29 0.27 0.00 1.01 0.00 0.00 42.92 45.37 1pav s ASP 65 CO -0.05 -0.23 1.05 -2.11 0.21 0.00 0.00 175.17 174.04 1pav n ARG 66 N 3.32 3.33 -0.02 8.23 0.00 -1.26 -3.65 116.66 126.62 1pav n ARG 66 Ca -0.16 -4.59 0.01 0.00 -0.00 0.00 0.00 57.85 53.11 1pav n ARG 66 Cb 0.56 -2.39 -0.06 0.00 -0.00 0.00 0.00 32.46 30.57 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 3.07 0.00 2.89 2.85 -1.26 -4.94 115.26 119.23 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 1.08 0.00 0.00 1.24 0.00 0.00 39.78 42.47 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 2.24 0.16 3.63 8.20 0.00 -1.26 -5.12 105.19 113.04 1pav n GLY 68 Ca -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.09 -1.32 0.36 1.61 1.13 -1.22 -4.63 117.35 112.20 1pav s TYR 69 Ca 0.00 2.26 -0.22 0.00 -1.41 0.00 0.00 57.07 57.70 1pav s TYR 69 Cb 0.00 0.78 -0.10 0.00 -1.10 0.00 0.00 41.96 41.54 1pav s TYR 69 CO 0.00 -0.65 0.91 1.52 -2.51 0.00 0.00 175.55 174.82 1pav s TYR 70 N 2.87 3.48 0.18 -3.49 -0.85 17.99 -4.23 117.35 133.31 1pav s TYR 70 Ca -0.05 1.62 -0.10 0.00 -0.52 0.00 0.00 57.07 58.01 1pav s TYR 70 Cb -0.12 -2.83 -0.00 0.00 0.38 0.00 0.00 41.96 39.39 1pav s TYR 70 CO -0.19 0.06 0.34 -1.83 -1.52 0.00 0.00 175.55 172.41 1pav s GLU 71 N -2.66 1.24 0.06 -3.49 -1.05 -1.24 2.66 118.70 114.22 1pav s GLU 71 Ca 0.55 -1.15 -0.05 0.00 -0.15 0.00 0.00 54.97 54.17 1pav s GLU 71 Cb -0.13 0.41 -0.02 0.00 -0.44 0.00 0.00 34.13 33.95 1pav s GLU 71 CO 0.18 -0.47 0.08 0.42 0.95 0.00 0.00 175.26 176.42 1pav s ILE 72 N -3.97 0.16 0.32 1.83 1.09 0.19 -4.20 121.20 116.63 1pav s ILE 72 Ca 0.17 -1.34 0.09 0.00 -1.10 0.00 0.00 60.65 58.48 1pav s ILE 72 Cb 0.02 -1.21 -0.06 0.00 -1.06 0.00 0.00 42.46 40.15 1pav s ILE 72 CO 0.01 -0.74 -0.10 0.68 -0.10 0.00 0.00 174.94 174.69 1pav s VAL 73 N -3.36 2.16 -0.22 2.92 -7.23 -1.23 0.57 120.40 114.00 1pav s VAL 73 Ca 0.01 -2.22 -0.13 0.00 -1.81 0.00 0.00 61.98 57.84 1pav s VAL 73 Cb 0.03 -2.56 0.07 0.00 0.56 0.00 0.00 36.38 34.48 1pav s VAL 73 CO -0.08 -0.25 0.54 -0.04 -0.31 0.00 0.00 175.10 174.96 1pav s MET 74 N -3.62 0.55 -0.62 4.82 1.00 0.26 -3.11 119.30 118.59 1pav s MET 74 Ca 0.31 0.98 -0.20 0.00 0.00 0.00 0.00 55.69 56.78 1pav s MET 74 Cb 0.02 0.07 0.09 0.00 0.00 0.00 0.00 34.83 35.01 1pav s MET 74 CO 0.15 -0.15 0.80 0.21 0.00 0.00 0.00 175.02 176.03 1pav s LYS 75 N 1.42 3.07 -0.43 2.03 2.20 1.09 0.19 119.74 129.32 1pav s LYS 75 Ca -0.09 -1.13 -0.43 0.00 -0.36 0.00 0.00 55.97 53.96 1pav s LYS 75 Cb -0.07 -4.25 -0.17 0.00 -1.51 0.00 0.00 37.83 31.83 1pav s LYS 75 CO -0.15 -1.64 1.91 1.63 -0.36 0.00 0.00 175.35 176.74 1pav n LYS 76 N 6.84 0.42 0.00 4.03 4.76 21.87 1.73 118.16 157.81 1pav n LYS 76 Ca -0.07 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1pav n LYS 76 Cb 0.44 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 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 5.51 0.39 0.00 -0.18 0.31 1.79 2.52 118.33 128.66 1pav n VAL 77 Ca 0.40 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1pav n VAL 77 Cb 0.03 0.91 0.00 0.00 -0.91 0.00 0.00 33.84 33.87 1pav n VAL 77 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80