#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pm3 s MET 1 N 0.00 3.46 0.25 -0.41 0.00 -1.26 -5.09 119.30 116.26 1pm3 s MET 1 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 55.69 54.80 1pm3 s MET 1 Cb 0.00 -3.23 -0.09 0.00 0.00 0.00 0.00 34.83 31.51 1pm3 s MET 1 CO 0.00 -0.24 1.12 0.50 0.00 0.00 0.00 175.02 176.40 1pm3 s ARG 2 N 1.55 4.61 0.00 4.11 3.52 -1.26 -4.97 118.95 126.50 1pm3 s ARG 2 Ca 0.05 1.81 0.00 0.00 -0.13 0.00 0.00 55.73 57.46 1pm3 s ARG 2 Cb -0.15 -3.21 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 1pm3 s ARG 2 CO 0.01 0.14 0.23 -0.89 -0.81 0.00 0.00 175.30 173.99 1pm3 n ILE 3 N 1.55 0.00 -0.33 4.11 5.41 -1.26 -2.56 119.36 126.28 1pm3 n ILE 3 Ca 0.00 0.49 0.23 0.00 1.00 0.00 0.00 62.75 64.47 1pm3 n ILE 3 Cb 0.45 -0.99 0.46 0.00 -0.71 0.00 0.00 39.64 38.84 1pm3 n ILE 3 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1pm3 h VAL 4 N 0.00 0.21 0.01 1.39 2.07 -1.93 -2.23 116.25 115.76 1pm3 h VAL 4 Ca 0.00 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1pm3 h VAL 4 Cb 0.00 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.76 1pm3 h VAL 4 CO 0.00 0.04 -0.00 -0.08 0.02 0.00 0.00 177.57 177.54 1pm3 h GLU 5 N 0.20 -0.01 -2.48 1.57 4.81 -1.89 -3.14 114.58 113.64 1pm3 h GLU 5 Ca 0.72 0.00 -0.77 0.00 -0.13 0.00 0.00 59.36 59.18 1pm3 h GLU 5 Cb 1.68 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 30.76 1pm3 h GLU 5 CO -0.68 -0.01 0.63 -0.85 -0.73 0.00 0.00 179.01 177.38 1pm3 n GLU 6 N -2.03 4.64 0.00 1.92 0.28 -1.06 -4.37 120.64 120.01 1pm3 n GLU 6 Ca -0.00 -4.65 0.00 0.00 -0.16 0.00 0.00 57.16 52.35 1pm3 n GLU 6 Cb 0.00 -2.44 0.00 0.00 1.43 0.00 0.00 31.44 30.43 1pm3 n GLU 6 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 1pm3 n MET 7 N 0.48 0.00 -3.65 3.44 0.00 -0.86 -4.79 117.12 111.74 1pm3 n MET 7 Ca 0.36 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.69 1pm3 n MET 7 Cb 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.43 1pm3 n MET 7 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1pm3 s VAL 8 N 0.00 5.21 0.00 1.12 1.01 -1.18 -4.10 120.40 122.46 1pm3 s VAL 8 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1pm3 s VAL 8 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1pm3 s VAL 8 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1pm3 n GLY 9 N 4.70 1.62 3.73 4.51 0.00 0.59 -4.83 105.19 115.50 1pm3 n GLY 9 Ca -0.15 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 1pm3 n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pm3 n LYS 10 N 0.00 1.75 -2.87 1.61 5.02 -1.26 -4.39 118.16 118.02 1pm3 n LYS 10 Ca 0.00 0.64 -0.34 0.00 -2.02 0.00 0.00 58.31 56.59 1pm3 n LYS 10 Cb 0.00 -2.52 -0.07 0.00 -0.02 0.00 0.00 35.03 32.42 1pm3 n LYS 10 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1pm3 s GLU 11 N -2.69 4.26 -0.15 1.97 2.02 -1.26 -1.63 118.70 121.22 1pm3 s GLU 11 Ca 0.69 1.08 -0.01 0.00 0.02 0.00 0.00 54.97 56.74 1pm3 s GLU 11 Cb -0.44 -2.36 -0.02 0.00 0.10 0.00 0.00 34.13 31.41 1pm3 s GLU 11 CO 0.52 0.07 -0.10 0.54 0.02 0.00 0.00 175.26 176.31 1pm3 s VAL 12 N -2.02 3.28 -0.01 2.63 0.11 -0.04 -0.51 120.40 123.85 1pm3 s VAL 12 Ca 0.58 -0.57 0.05 0.00 -2.93 0.00 0.00 61.98 59.11 1pm3 s VAL 12 Cb -0.11 -2.41 -0.03 0.00 -1.53 0.00 0.00 36.38 32.30 1pm3 s VAL 12 CO 0.16 0.50 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.52 1pm3 s LEU 13 N 0.53 2.68 0.00 2.54 1.43 0.43 -1.79 118.68 124.51 1pm3 s LEU 13 Ca -0.07 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1pm3 s LEU 13 Cb -0.15 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.51 1pm3 s LEU 13 CO 0.03 0.30 0.00 -0.67 0.23 0.00 0.00 176.35 176.25 1pm3 n ASP 14 N 1.96 -0.19 -0.04 2.29 -0.08 0.13 -1.94 116.55 118.67 1pm3 n ASP 14 Ca -0.16 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 52.92 1pm3 n ASP 14 Cb 0.52 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.85 1pm3 n ASP 14 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1pm3 n SER 15 N -0.29 1.97 -1.66 1.67 2.88 -1.26 -3.39 113.62 113.53 1pm3 n SER 15 Ca 0.00 0.10 -0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1pm3 n SER 15 Cb 0.00 -0.63 -0.01 0.00 -0.75 0.00 0.00 64.21 62.81 1pm3 n SER 15 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1pm3 n SER 16 N -3.37 5.59 -4.06 -3.46 7.64 -1.26 -4.80 113.62 109.90 1pm3 n SER 16 Ca -0.36 -2.57 -0.30 0.00 1.01 0.00 0.00 58.87 56.65 1pm3 n SER 16 Cb 1.03 -1.15 -0.08 0.00 -1.01 0.00 0.00 64.21 63.00 1pm3 n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pm3 n ALA 17 N 1.37 -1.58 -2.60 -0.43 0.00 -1.26 -4.91 120.51 111.09 1pm3 n ALA 17 Ca 0.12 -0.30 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 1pm3 n ALA 17 Cb 0.56 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.77 1pm3 n ALA 17 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pm3 s LYS 18 N -6.58 2.26 -0.62 0.00 -0.14 -1.26 -4.84 119.74 108.55 1pm3 s LYS 18 Ca 0.23 -0.95 -0.21 0.00 -1.36 0.00 0.00 55.97 53.68 1pm3 s LYS 18 Cb -0.14 -2.37 0.08 0.00 -1.68 0.00 0.00 37.83 33.72 1pm3 s LYS 18 CO 0.86 0.53 0.87 0.08 -0.76 0.00 0.00 175.35 176.92 1pm3 s VAL 19 N -1.20 4.51 0.24 3.17 1.01 -1.26 0.17 120.40 127.04 1pm3 s VAL 19 Ca 0.22 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1pm3 s VAL 19 Cb -0.11 -4.59 -0.03 0.00 0.00 0.00 0.00 36.38 31.64 1pm3 s VAL 19 CO 0.14 -1.29 1.58 0.40 0.00 0.00 0.00 175.10 175.92 1pm3 h ILE 20 N 5.96 1.37 0.00 2.22 2.04 -1.61 -3.49 117.51 124.00 1pm3 h ILE 20 Ca -0.29 -1.90 0.00 0.00 1.00 0.00 0.00 64.86 63.67 1pm3 h ILE 20 Cb 1.08 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 1pm3 h ILE 20 CO 1.14 0.56 0.00 0.61 0.00 0.00 0.00 178.15 180.46 1pm3 n GLY 21 N 0.20 -1.17 3.69 5.37 0.00 -1.25 -4.21 105.19 107.82 1pm3 n GLY 21 Ca -0.02 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 1pm3 n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pm3 s LYS 22 N -1.84 2.59 -0.48 1.61 1.02 -1.26 -0.86 119.74 120.52 1pm3 s LYS 22 Ca 0.00 -0.80 -0.28 0.00 0.02 0.00 0.00 55.97 54.91 1pm3 s LYS 22 Cb 0.00 -2.56 -0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1pm3 s LYS 22 CO 0.00 0.55 1.59 0.08 -0.92 0.00 0.00 175.35 176.66 1pm3 s VAL 23 N -1.29 3.65 -0.22 3.17 1.01 -0.65 -1.08 120.40 125.00 1pm3 s VAL 23 Ca 0.25 0.59 0.20 0.00 0.00 0.00 0.00 61.98 63.02 1pm3 s VAL 23 Cb -0.12 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.18 1pm3 s VAL 23 CO 0.17 -0.84 1.10 0.50 0.00 0.00 0.00 175.10 176.04 1pm3 h LYS 24 N 12.18 0.00 -1.98 2.72 3.64 -0.52 0.17 116.57 132.78 1pm3 h LYS 24 Ca -0.28 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.33 1pm3 h LYS 24 Cb 1.13 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.85 1pm3 h LYS 24 CO 1.13 0.14 0.63 0.34 -2.27 0.00 0.00 179.45 179.41 1pm3 s ASP 25 N -5.72 -0.13 -0.01 4.20 3.68 -1.05 -4.93 116.67 112.71 1pm3 s ASP 25 Ca 0.00 -0.30 -0.01 0.00 2.13 0.00 0.00 52.55 54.38 1pm3 s ASP 25 Cb 0.08 0.36 0.00 0.00 -1.45 0.00 0.00 42.92 41.91 1pm3 s ASP 25 CO 0.77 -0.66 0.03 -0.69 0.13 0.00 0.00 175.17 174.75 1pm3 s VAL 26 N -2.93 -0.00 0.00 1.11 1.01 -1.26 0.91 120.40 119.23 1pm3 s VAL 26 Ca 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 1pm3 s VAL 26 Cb 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 36.30 1pm3 s VAL 26 CO -0.00 0.01 0.08 -1.61 0.00 0.00 0.00 175.10 173.58 1pm3 s GLU 27 N 0.08 3.07 0.07 2.72 2.02 -0.91 -4.97 118.70 120.78 1pm3 s GLU 27 Ca -0.01 -0.49 0.06 0.00 0.02 0.00 0.00 54.97 54.55 1pm3 s GLU 27 Cb -0.01 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.33 1pm3 s GLU 27 CO -0.00 0.64 -0.16 0.08 0.02 0.00 0.00 175.26 175.84 1pm3 s VAL 28 N -1.21 1.27 -0.82 2.63 1.01 -1.26 0.81 120.40 122.83 1pm3 s VAL 28 Ca 0.23 -1.25 -0.20 0.00 0.00 0.00 0.00 61.98 60.76 1pm3 s VAL 28 Cb -0.12 -1.17 0.11 0.00 0.00 0.00 0.00 36.38 35.19 1pm3 s VAL 28 CO 0.14 -0.09 1.05 -0.62 0.00 0.00 0.00 175.10 175.58 1pm3 s ASP 29 N -1.55 6.44 0.02 3.32 2.15 0.22 -4.82 116.67 122.45 1pm3 s ASP 29 Ca 0.01 -1.64 0.01 0.00 0.43 0.00 0.00 52.55 51.36 1pm3 s ASP 29 Cb -0.09 -2.40 0.04 0.00 -0.30 0.00 0.00 42.92 40.16 1pm3 s ASP 29 CO 0.02 -1.20 0.83 -0.38 -0.17 0.00 0.00 175.17 174.27 1pm3 n ILE 30 N 5.67 1.17 -0.06 4.11 5.41 -1.26 -0.69 119.36 133.71 1pm3 n ILE 30 Ca 0.13 0.51 -0.04 0.00 1.00 0.00 0.00 62.75 64.35 1pm3 n ILE 30 Cb 0.47 -1.51 -0.01 0.00 -0.71 0.00 0.00 39.64 37.88 1pm3 n ILE 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1pm3 n GLU 31 N -1.34 0.36 0.02 0.38 1.02 -1.26 -4.39 120.64 115.43 1pm3 n GLU 31 Ca -0.00 0.41 0.09 0.00 -0.02 0.00 0.00 57.16 57.64 1pm3 n GLU 31 Cb 0.21 -1.44 0.38 0.00 -0.02 0.00 0.00 31.44 30.56 1pm3 n GLU 31 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1pm3 n SER 32 N -4.09 0.13 -3.12 1.62 3.41 -1.02 -4.89 113.62 105.66 1pm3 n SER 32 Ca -0.07 0.53 -0.15 0.00 -0.26 0.00 0.00 58.87 58.93 1pm3 n SER 32 Cb 0.24 -0.56 0.08 0.00 -0.26 0.00 0.00 64.21 63.71 1pm3 n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pm3 n GLN 33 N -1.64 -4.97 -4.25 4.33 6.02 0.14 -5.03 117.38 111.98 1pm3 n GLN 33 Ca 0.04 0.75 -0.18 0.00 -0.01 0.00 0.00 57.00 57.60 1pm3 n GLN 33 Cb 0.21 -5.43 -0.13 0.00 1.02 0.00 0.00 30.24 25.91 1pm3 n GLN 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pm3 s ALA 34 N -3.32 0.99 -0.29 -1.58 0.00 -1.18 -4.97 121.76 111.41 1pm3 s ALA 34 Ca 0.09 -0.79 -0.26 0.00 0.00 0.00 0.00 51.96 51.00 1pm3 s ALA 34 Cb -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.00 1pm3 s ALA 34 CO 0.64 0.16 0.92 0.42 0.00 0.00 0.00 175.76 177.90 1pm3 s ILE 35 N -0.95 4.69 0.00 0.00 1.01 -1.26 0.70 121.20 125.39 1pm3 s ILE 35 Ca -0.01 1.52 0.00 0.00 0.00 0.00 0.00 60.65 62.16 1pm3 s ILE 35 Cb -0.08 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1pm3 s ILE 35 CO 0.01 -0.30 0.37 -0.62 0.00 0.00 0.00 174.94 174.40 1pm3 n GLU 36 N 6.41 0.00 -3.58 2.79 -0.58 0.24 -4.76 120.64 121.16 1pm3 n GLU 36 Ca 0.08 0.14 -0.13 0.00 -0.42 0.00 0.00 57.16 56.83 1pm3 n GLU 36 Cb 0.47 -0.92 -0.04 0.00 -0.57 0.00 0.00 31.44 30.38 1pm3 n GLU 36 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1pm3 n SER 37 N -0.91 -0.91 -4.69 1.62 3.41 -1.21 -1.48 113.62 109.44 1pm3 n SER 37 Ca 0.00 -2.59 -0.31 0.00 -0.26 0.00 0.00 58.87 55.71 1pm3 n SER 37 Cb 0.00 1.80 -0.08 0.00 -0.26 0.00 0.00 64.21 65.66 1pm3 n SER 37 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pm3 s LEU 38 N 0.00 3.51 -0.29 1.04 1.43 -0.17 -2.14 118.68 122.06 1pm3 s LEU 38 Ca 0.26 -0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.24 1pm3 s LEU 38 Cb -0.00 -2.12 0.03 0.00 0.03 0.00 0.00 46.19 44.13 1pm3 s LEU 38 CO 0.19 0.23 0.04 -0.69 0.23 0.00 0.00 176.35 176.35 1pm3 s VAL 39 N -1.19 3.53 -0.02 -1.59 1.01 0.26 -1.84 120.40 120.56 1pm3 s VAL 39 Ca 0.23 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 61.09 1pm3 s VAL 39 Cb -0.12 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1pm3 s VAL 39 CO 0.14 0.02 0.41 -0.76 0.00 0.00 0.00 175.10 174.92 1pm3 s LEU 40 N 1.40 4.44 0.00 3.92 1.43 0.12 0.27 118.68 130.26 1pm3 s LEU 40 Ca -0.00 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 1pm3 s LEU 40 Cb -0.18 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.45 1pm3 s LEU 40 CO 0.00 0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.47 1pm3 n GLY 41 N 2.08 -0.79 0.00 -3.19 0.00 -0.24 -1.55 105.19 101.51 1pm3 n GLY 41 Ca -0.13 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1pm3 n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pm3 n LYS 42 N 0.00 0.00 0.00 1.61 5.02 -1.26 -4.08 118.16 119.44 1pm3 n LYS 42 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1pm3 n LYS 42 Cb 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.20 1pm3 n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pm3 n GLY 43 N 4.34 -0.92 0.35 0.72 0.00 -1.26 -4.40 105.19 104.03 1pm3 n GLY 43 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1pm3 n GLY 43 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pm3 n LYS 53 N -1.14 0.00 -1.89 1.61 0.00 -1.26 -4.37 118.16 111.10 1pm3 n LYS 53 Ca 0.07 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.07 1pm3 n LYS 53 Cb 0.35 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.39 1pm3 n LYS 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1pm3 s GLY 54 N 0.00 1.77 -0.00 2.58 0.00 -1.26 -5.09 107.32 105.32 1pm3 s GLY 54 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 44.72 44.74 1pm3 s GLY 54 CO 0.00 0.32 0.04 -0.54 0.00 0.00 0.00 173.10 172.92 1pm3 s GLU 55 N -4.87 0.25 -0.05 2.90 2.02 -1.26 -4.53 118.70 113.16 1pm3 s GLU 55 Ca 0.57 -0.29 0.05 0.00 0.02 0.00 0.00 54.97 55.33 1pm3 s GLU 55 Cb -0.12 0.10 -0.02 0.00 0.10 0.00 0.00 34.13 34.19 1pm3 s GLU 55 CO 0.49 -0.05 -0.21 0.99 0.02 0.00 0.00 175.26 176.51 1pm3 s THR 56 N -0.84 2.49 -0.43 3.63 2.01 -0.59 -4.94 115.64 116.96 1pm3 s THR 56 Ca -0.09 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 60.99 1pm3 s THR 56 Cb -0.06 -1.93 0.12 0.00 0.01 0.00 0.00 72.50 70.64 1pm3 s THR 56 CO -0.00 0.58 0.19 -0.63 -0.69 0.00 0.00 174.62 174.07 1pm3 s ILE 57 N -0.43 2.92 -0.44 1.82 1.01 -1.26 0.15 121.20 124.97 1pm3 s ILE 57 Ca 0.04 -2.45 -0.27 0.00 0.00 0.00 0.00 60.65 57.98 1pm3 s ILE 57 Cb -0.12 -3.03 0.02 0.00 0.01 0.00 0.00 42.46 39.35 1pm3 s ILE 57 CO 0.02 -0.70 1.01 -0.69 0.00 0.00 0.00 174.94 174.57 1pm3 s VAL 58 N 0.71 4.41 -0.34 2.92 1.01 -0.76 -4.89 120.40 123.45 1pm3 s VAL 58 Ca 0.12 1.07 -0.34 0.00 0.00 0.00 0.00 61.98 62.83 1pm3 s VAL 58 Cb -0.22 -4.47 -0.11 0.00 0.00 0.00 0.00 36.38 31.59 1pm3 s VAL 58 CO -0.05 -0.80 2.20 -2.65 0.00 0.00 0.00 175.10 173.80 1pm3 n PRO 59 N 7.28 1.15 0.09 2.72 -0.02 -1.26 -0.99 135.00 143.97 1pm3 n PRO 59 Ca 0.09 0.31 0.03 0.00 -2.02 0.00 0.00 63.50 61.90 1pm3 n PRO 59 Cb 0.48 -2.55 0.14 0.00 -0.02 0.00 0.00 33.50 31.56 1pm3 n PRO 59 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1pm3 n TYR 60 N 10.16 0.18 -0.06 6.00 9.36 -0.55 -2.18 117.16 140.07 1pm3 n TYR 60 Ca 0.40 0.09 -0.07 0.00 3.32 0.00 0.00 57.90 61.64 1pm3 n TYR 60 Cb 0.25 -0.36 -0.05 0.00 -0.63 0.00 0.00 39.34 38.56 1pm3 n TYR 60 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1pm3 h GLU 61 N 0.00 -0.21 -0.47 2.98 4.22 -1.84 -3.26 114.58 116.00 1pm3 h GLU 61 Ca 0.00 0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.51 1pm3 h GLU 61 Cb 0.76 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.97 1pm3 h GLU 61 CO 0.00 -0.14 -0.55 0.52 -2.18 0.00 0.00 179.01 176.66 1pm3 h MET 62 N -0.22 -0.33 0.00 1.92 2.86 -1.82 -3.46 114.93 113.88 1pm3 h MET 62 Ca 0.03 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1pm3 h MET 62 Cb 0.32 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1pm3 h MET 62 CO -0.30 -0.22 0.00 0.28 1.06 0.00 0.00 176.91 177.73 1pm3 n VAL 63 N -5.27 0.00 -0.02 -2.22 0.31 -1.23 -4.46 118.33 105.44 1pm3 n VAL 63 Ca -0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.21 1pm3 n VAL 63 Cb 0.32 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.11 1pm3 n VAL 63 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1pm3 h LYS 64 N 0.00 0.02 -2.85 5.55 1.57 0.12 -3.47 116.57 117.51 1pm3 h LYS 64 Ca 0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1pm3 h LYS 64 Cb 0.00 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.19 1pm3 h LYS 64 CO 0.00 0.55 0.25 0.15 -0.57 0.00 0.00 179.45 179.84 1pm3 s LYS 65 N -2.60 1.20 -0.16 3.15 1.02 -0.85 -4.98 119.74 116.53 1pm3 s LYS 65 Ca -0.06 -0.41 -0.01 0.00 0.02 0.00 0.00 55.97 55.51 1pm3 s LYS 65 Cb 0.08 0.55 0.04 0.00 -0.52 0.00 0.00 37.83 37.99 1pm3 s LYS 65 CO 0.82 -0.52 -0.01 0.42 -0.92 0.00 0.00 175.35 175.14 1pm3 s ILE 66 N -3.55 0.78 0.00 2.17 -1.09 -1.26 -2.13 121.20 116.12 1pm3 s ILE 66 Ca 0.01 -0.45 0.00 0.00 -2.23 0.00 0.00 60.65 57.98 1pm3 s ILE 66 Cb -0.01 -1.05 0.00 0.00 -1.58 0.00 0.00 42.46 39.82 1pm3 s ILE 66 CO -0.11 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.25 1pm3 n GLY 67 N 4.98 5.53 0.09 6.18 0.00 -1.26 -4.92 105.19 115.79 1pm3 n GLY 67 Ca -0.10 -1.01 0.06 0.00 0.00 0.00 0.00 46.02 44.97 1pm3 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pm3 n ASP 68 N 0.00 0.30 -4.07 1.61 9.92 -1.26 -4.63 116.55 118.42 1pm3 n ASP 68 Ca 0.00 0.64 -0.13 0.00 -0.53 0.00 0.00 54.79 54.77 1pm3 n ASP 68 Cb 0.00 -0.68 -0.09 0.00 -0.64 0.00 0.00 41.12 39.71 1pm3 n ASP 68 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1pm3 s LYS 69 N -3.29 1.31 -0.22 -1.24 -0.14 -1.26 -4.53 119.74 110.37 1pm3 s LYS 69 Ca -0.01 -1.63 -0.01 0.00 -1.36 0.00 0.00 55.97 52.96 1pm3 s LYS 69 Cb 0.03 0.30 0.02 0.00 -1.68 0.00 0.00 37.83 36.50 1pm3 s LYS 69 CO 0.11 -0.45 -0.12 0.42 -0.76 0.00 0.00 175.35 174.55 1pm3 s ILE 70 N -4.05 2.59 -0.07 2.17 1.01 0.34 -4.27 121.20 118.92 1pm3 s ILE 70 Ca 0.37 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 1pm3 s ILE 70 Cb 0.06 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 1pm3 s ILE 70 CO 0.13 0.37 0.14 -0.76 0.00 0.00 0.00 174.94 174.82 1pm3 s LEU 71 N 1.32 4.29 0.00 2.97 1.43 -0.90 0.16 118.68 127.95 1pm3 s LEU 71 Ca 0.03 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1pm3 s LEU 71 Cb -0.15 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.80 1pm3 s LEU 71 CO -0.08 0.34 0.00 0.18 0.23 0.00 0.00 176.35 177.02 1pm3 n LEU 72 N 1.54 0.00 -4.17 1.79 4.77 -0.82 0.15 117.00 120.26 1pm3 n LEU 72 Ca -0.16 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.45 1pm3 n LEU 72 Cb 0.54 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.67 1pm3 n LEU 72 CO 0.36 0.00 -0.85 2.29 -1.33 0.00 0.00 177.39 177.86 1pm3 n LYS 73 N 0.00 0.02 0.00 3.23 2.85 -1.26 -3.86 118.16 119.13 1pm3 n LYS 73 Ca 0.00 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1pm3 n LYS 73 Cb 0.00 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 1pm3 n LYS 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1pm3 n GLY 74 N 2.80 3.39 0.09 2.58 0.00 -1.26 -4.24 105.19 108.55 1pm3 n GLY 74 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1pm3 n GLY 74 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pm3 n PRO 75 N 0.00 0.49 0.00 1.61 -0.04 -1.26 -5.13 135.00 130.66 1pm3 n PRO 75 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 1pm3 n PRO 75 Cb 0.00 -1.04 0.09 0.00 -0.04 0.00 0.00 33.50 32.50 1pm3 n PRO 75 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61