#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdz s ARG 2 N 0.00 0.84 -0.16 2.89 0.52 0.39 -4.75 118.95 118.68 2pdz s ARG 2 Ca 0.00 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 54.36 2pdz s ARG 2 Cb 0.00 0.35 0.04 0.00 0.52 0.00 0.00 34.95 35.86 2pdz s ARG 2 CO 0.00 -0.27 -0.03 0.50 0.02 0.00 0.00 175.30 175.52 2pdz s ARG 3 N -3.53 1.22 -0.01 3.54 3.52 -1.26 -1.10 118.95 121.33 2pdz s ARG 3 Ca 0.02 -0.41 0.03 0.00 -0.13 0.00 0.00 55.73 55.24 2pdz s ARG 3 Cb 0.03 -1.87 -0.01 0.00 -1.56 0.00 0.00 34.95 31.54 2pdz s ARG 3 CO -0.09 -0.44 -0.10 0.08 -0.81 0.00 0.00 175.30 173.93 2pdz s VAL 4 N 1.71 0.82 -0.09 7.11 1.01 -0.82 -4.97 120.40 125.18 2pdz s VAL 4 Ca 0.01 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2pdz s VAL 4 Cb -0.15 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.56 2pdz s VAL 4 CO -0.07 0.24 -0.12 -0.89 0.00 0.00 0.00 175.10 174.25 2pdz s THR 5 N -0.17 1.18 -0.20 3.92 2.01 -1.26 0.11 115.64 121.22 2pdz s THR 5 Ca 0.03 -0.46 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 2pdz s THR 5 Cb -0.05 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 2pdz s THR 5 CO -0.00 0.37 0.04 -0.69 -0.69 0.00 0.00 174.62 173.65 2pdz s VAL 6 N 0.99 4.37 -0.98 3.82 1.01 0.51 -4.87 120.40 125.26 2pdz s VAL 6 Ca -0.08 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 2pdz s VAL 6 Cb -0.15 -2.98 0.25 0.00 0.00 0.00 0.00 36.38 33.50 2pdz s VAL 6 CO -0.00 0.43 0.95 -0.13 0.00 0.00 0.00 175.10 176.34 2pdz s ARG 7 N 0.81 3.91 0.74 2.72 3.00 -1.26 0.10 118.95 128.98 2pdz s ARG 7 Ca 0.02 -2.85 -0.11 0.00 0.00 0.00 0.00 55.73 52.79 2pdz s ARG 7 Cb -0.14 -4.50 0.04 0.00 0.00 0.00 0.00 34.95 30.35 2pdz s ARG 7 CO 0.02 -1.27 1.12 -1.59 0.00 0.00 0.00 175.30 173.58 2pdz s LYS 8 N -0.54 2.51 -0.38 3.54 0.00 -0.74 -4.95 119.74 119.18 2pdz s LYS 8 Ca 0.25 0.31 0.10 0.00 0.00 0.00 0.00 55.97 56.63 2pdz s LYS 8 Cb -0.10 -2.00 0.31 0.00 0.00 0.00 0.00 37.83 36.04 2pdz s LYS 8 CO -0.08 -1.25 0.66 0.00 0.00 0.00 0.00 175.35 174.68 2pdz n ALA 9 N -3.12 2.10 -1.71 0.59 0.00 -1.26 -4.59 120.51 112.52 2pdz n ALA 9 Ca 0.07 -3.36 -0.13 0.00 0.00 0.00 0.00 53.44 50.02 2pdz n ALA 9 Cb 0.59 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 19.10 2pdz n ALA 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pdz n ASP 10 N 0.70 -3.74 0.30 0.00 8.00 -1.26 -4.83 116.55 115.73 2pdz n ASP 10 Ca 0.23 0.28 -0.18 0.00 0.71 0.00 0.00 54.79 55.84 2pdz n ASP 10 Cb 0.61 -3.38 -0.09 0.00 -0.02 0.00 0.00 41.12 38.24 2pdz n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pdz h ALA 11 N 0.80 -1.04 0.00 2.24 0.00 -2.00 -3.48 119.26 115.78 2pdz h ALA 11 Ca -0.29 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2pdz h ALA 11 Cb 0.99 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2pdz h ALA 11 CO 0.40 -1.12 0.00 0.41 0.00 0.00 0.00 179.25 178.94 2pdz n GLY 12 N -1.55 -2.00 3.12 0.00 0.00 -1.26 -5.13 105.19 98.37 2pdz n GLY 12 Ca -0.12 0.67 -0.20 0.00 0.00 0.00 0.00 46.02 46.37 2pdz n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pdz s GLY 13 N 0.00 0.72 0.47 -0.02 0.00 -1.26 -5.01 107.32 102.22 2pdz s GLY 13 Ca 0.00 -0.72 0.32 0.00 0.00 0.00 0.00 44.72 44.31 2pdz s GLY 13 CO 0.00 -0.68 1.97 -2.00 0.00 0.00 0.00 173.10 172.39 2pdz h LEU 14 N 5.23 0.00 -2.37 0.66 6.46 -2.01 -3.40 115.31 119.88 2pdz h LEU 14 Ca -0.36 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.40 2pdz h LEU 14 Cb 1.18 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 2pdz h LEU 14 CO 0.46 0.00 -0.66 0.61 -0.62 0.00 0.00 178.44 178.22 2pdz n GLY 15 N -0.80 -3.28 3.26 3.75 0.00 -1.26 -2.46 105.19 104.39 2pdz n GLY 15 Ca -0.01 0.45 0.03 0.00 0.00 0.00 0.00 46.02 46.50 2pdz n GLY 15 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pdz s ILE 16 N -1.48 -0.05 -0.36 -0.61 2.07 -1.26 -4.05 121.20 115.46 2pdz s ILE 16 Ca 0.05 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.20 2pdz s ILE 16 Cb -0.01 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.61 2pdz s ILE 16 CO 0.59 0.00 0.15 -0.94 -1.91 0.00 0.00 174.94 172.83 2pdz s SER 17 N 1.88 5.49 0.08 4.50 1.04 -0.89 -4.98 113.70 120.82 2pdz s SER 17 Ca -0.01 -1.11 -0.14 0.00 0.48 0.00 0.00 55.95 55.18 2pdz s SER 17 Cb -0.01 -1.93 -0.06 0.00 0.10 0.00 0.00 66.02 64.12 2pdz s SER 17 CO -0.15 -0.36 0.47 0.27 0.98 0.00 0.00 173.24 174.45 2pdz s ILE 18 N 1.46 4.95 0.35 -1.02 -4.36 -1.26 0.73 121.20 122.05 2pdz s ILE 18 Ca -0.00 0.77 0.05 0.00 -0.26 0.00 0.00 60.65 61.21 2pdz s ILE 18 Cb -0.20 -3.72 -0.07 0.00 1.25 0.00 0.00 42.46 39.72 2pdz s ILE 18 CO 0.04 0.38 0.04 -1.59 0.24 0.00 0.00 174.94 174.06 2pdz s LYS 19 N -1.61 1.75 0.00 0.37 -2.85 0.28 -4.82 119.74 112.86 2pdz s LYS 19 Ca 0.32 -1.98 0.00 0.00 -1.00 0.00 0.00 55.97 53.31 2pdz s LYS 19 Cb -0.16 -1.10 0.00 0.00 -2.06 0.00 0.00 37.83 34.52 2pdz s LYS 19 CO 0.17 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 175.88 2pdz n GLY 20 N -0.78 0.67 0.00 0.59 0.00 -1.26 -0.77 105.19 103.64 2pdz n GLY 20 Ca -0.03 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.27 2pdz n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pdz n GLY 21 N 0.00 4.81 0.15 -0.02 0.00 -1.25 -4.81 105.19 104.07 2pdz n GLY 21 Ca 0.00 -1.07 0.11 0.00 0.00 0.00 0.00 46.02 45.06 2pdz n GLY 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2pdz n ARG 22 N -1.87 0.14 0.29 1.61 3.00 -1.25 -1.36 116.66 117.21 2pdz n ARG 22 Ca 0.00 0.62 0.18 0.00 -0.00 0.00 0.00 57.85 58.65 2pdz n ARG 22 Cb 0.00 -1.93 0.78 0.00 0.00 0.00 0.00 32.46 31.31 2pdz n ARG 22 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2pdz h GLU 23 N 0.00 0.00 0.00 -0.14 5.08 -1.91 -2.87 114.58 114.74 2pdz h GLU 23 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2pdz h GLU 23 Cb 0.02 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2pdz h GLU 23 CO 0.00 0.01 -0.34 0.09 -1.00 0.00 0.00 179.01 177.78 2pdz n ASN 24 N -3.12 1.68 -2.95 1.42 5.03 -0.47 -5.03 115.26 111.82 2pdz n ASN 24 Ca -0.00 -3.10 -0.11 0.00 0.87 0.00 0.00 54.58 52.23 2pdz n ASN 24 Cb 0.26 -0.42 0.01 0.00 -1.02 0.00 0.00 39.78 38.62 2pdz n ASN 24 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2pdz n LYS 25 N -0.94 -2.42 -3.65 3.52 4.81 -1.08 -4.96 118.16 113.44 2pdz n LYS 25 Ca 0.14 2.07 -0.06 0.00 -0.87 0.00 0.00 58.31 59.59 2pdz n LYS 25 Cb 0.72 -4.76 -0.07 0.00 0.02 0.00 0.00 35.03 30.94 2pdz n LYS 25 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 2pdz s MET 26 N -2.30 0.65 -0.05 1.64 1.75 -1.21 -4.96 119.30 114.82 2pdz s MET 26 Ca 0.21 1.23 -0.03 0.00 -1.25 0.00 0.00 55.69 55.85 2pdz s MET 26 Cb -0.05 0.27 -0.13 0.00 2.84 0.00 0.00 34.83 37.76 2pdz s MET 26 CO 0.75 -0.16 2.10 -0.35 -0.65 0.00 0.00 175.02 176.71 2pdz n PRO 27 N 4.55 1.08 -3.08 4.11 -0.04 -1.26 -3.89 135.00 136.48 2pdz n PRO 27 Ca -0.19 -0.57 -0.04 0.00 -0.04 0.00 0.00 63.50 62.67 2pdz n PRO 27 Cb 0.57 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 2pdz n PRO 27 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2pdz n ILE 28 N 2.84 -2.07 -3.60 0.52 2.08 -1.26 -2.13 119.36 115.73 2pdz n ILE 28 Ca 0.23 0.43 -0.37 0.00 0.56 0.00 0.00 62.75 63.60 2pdz n ILE 28 Cb 0.45 -2.88 -0.07 0.00 -0.75 0.00 0.00 39.64 36.39 2pdz n ILE 28 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2pdz s LEU 29 N -1.09 4.30 0.44 1.39 1.43 0.05 -1.03 118.68 124.17 2pdz s LEU 29 Ca 0.04 0.55 -0.24 0.00 -1.03 0.00 0.00 54.13 53.44 2pdz s LEU 29 Cb -0.00 -2.33 -0.08 0.00 0.03 0.00 0.00 46.19 43.81 2pdz s LEU 29 CO 0.09 0.19 1.28 -0.63 0.23 0.00 0.00 176.35 177.51 2pdz s ILE 30 N -0.02 2.63 0.00 -0.59 1.01 -0.37 0.99 121.20 124.85 2pdz s ILE 30 Ca 0.17 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.34 2pdz s ILE 30 Cb -0.13 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.05 2pdz s ILE 30 CO 0.05 0.04 0.00 -0.24 0.00 0.00 0.00 174.94 174.79 2pdz n SER 31 N -0.24 4.04 -3.44 3.58 2.88 0.22 -1.50 113.62 119.17 2pdz n SER 31 Ca 0.06 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.37 2pdz n SER 31 Cb 0.45 0.65 -0.11 0.00 -0.75 0.00 0.00 64.21 64.45 2pdz n SER 31 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2pdz s LYS 32 N -1.69 0.42 -0.70 -1.46 2.20 -1.12 -4.86 119.74 112.53 2pdz s LYS 32 Ca 0.00 -0.69 -0.27 0.00 -0.36 0.00 0.00 55.97 54.65 2pdz s LYS 32 Cb 0.00 -0.94 0.02 0.00 -1.51 0.00 0.00 37.83 35.40 2pdz s LYS 32 CO 0.00 -1.11 1.42 0.42 -0.36 0.00 0.00 175.35 175.72 2pdz s ILE 33 N 1.77 3.64 0.24 5.43 -1.09 -1.26 -2.09 121.20 127.83 2pdz s ILE 33 Ca 0.13 0.38 -0.30 0.00 -2.23 0.00 0.00 60.65 58.62 2pdz s ILE 33 Cb -0.17 -4.67 -0.15 0.00 -1.58 0.00 0.00 42.46 35.89 2pdz s ILE 33 CO -0.19 -1.61 1.11 0.49 -1.23 0.00 0.00 174.94 173.52 2pdz n PHE 34 N 10.17 1.36 -1.92 3.97 3.01 -1.26 -4.85 117.46 127.94 2pdz n PHE 34 Ca 0.07 0.67 -0.31 0.00 1.01 0.00 0.00 57.45 58.89 2pdz n PHE 34 Cb 0.50 -2.28 0.01 0.00 -0.01 0.00 0.00 39.48 37.69 2pdz n PHE 34 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2pdz s LYS 35 N -0.95 3.57 -1.69 -1.08 1.02 -1.26 -3.43 119.74 115.92 2pdz s LYS 35 Ca 0.66 0.82 0.00 0.00 0.02 0.00 0.00 55.97 57.46 2pdz s LYS 35 Cb -0.76 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 2pdz s LYS 35 CO 0.56 -0.59 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 2pdz n GLY 36 N -2.44 1.28 3.77 -3.33 0.00 -1.26 -4.93 105.19 98.28 2pdz n GLY 36 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2pdz n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pdz s LEU 37 N -4.39 3.26 0.03 0.99 2.01 -1.22 -4.96 118.68 114.39 2pdz s LEU 37 Ca 0.00 -0.86 -0.11 0.00 0.01 0.00 0.00 54.13 53.17 2pdz s LEU 37 Cb 0.00 -1.73 -0.05 0.00 0.01 0.00 0.00 46.19 44.43 2pdz s LEU 37 CO 0.00 -0.47 1.17 0.00 1.01 0.00 0.00 176.35 178.07 2pdz h ALA 38 N 1.37 -0.73 -0.73 4.21 0.00 -1.78 0.22 119.26 121.83 2pdz h ALA 38 Ca -0.43 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 54.60 2pdz h ALA 38 Cb 1.26 0.55 -0.12 0.00 0.00 0.00 0.00 17.79 19.48 2pdz h ALA 38 CO 0.64 -0.76 0.05 0.00 0.00 0.00 0.00 179.25 179.18 2pdz h ALA 39 N -1.29 0.80 0.00 0.00 0.00 -1.64 0.72 119.26 117.85 2pdz h ALA 39 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2pdz h ALA 39 Cb 0.25 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2pdz h ALA 39 CO -0.08 -0.40 0.00 -3.47 0.00 0.00 0.00 179.25 175.30 2pdz n ASP 40 N -5.29 0.26 -1.24 0.00 -0.08 -1.03 -2.51 116.55 106.67 2pdz n ASP 40 Ca 0.13 0.56 0.08 0.00 -1.51 0.00 0.00 54.79 54.05 2pdz n ASP 40 Cb 0.45 -0.61 0.30 0.00 2.34 0.00 0.00 41.12 43.59 2pdz n ASP 40 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2pdz n GLN 41 N -1.78 3.47 -0.37 -0.67 6.02 0.24 -4.36 117.38 119.93 2pdz n GLN 41 Ca 0.04 -2.75 0.08 0.00 -0.01 0.00 0.00 57.00 54.36 2pdz n GLN 41 Cb 0.23 -1.80 0.26 0.00 1.02 0.00 0.00 30.24 29.94 2pdz n GLN 41 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2pdz n THR 42 N 0.49 1.43 -4.06 5.09 -2.24 -0.89 -4.96 114.28 109.14 2pdz n THR 42 Ca 0.22 -1.19 -0.30 0.00 -2.27 0.00 0.00 64.05 60.51 2pdz n THR 42 Cb 0.84 0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 69.33 2pdz n THR 42 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2pdz n GLU 43 N 0.74 -3.51 0.00 -0.78 1.02 -1.26 -4.50 120.64 112.35 2pdz n GLU 43 Ca 0.19 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 2pdz n GLU 43 Cb 0.66 -4.87 0.00 0.00 -0.02 0.00 0.00 31.44 27.21 2pdz n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pdz n ALA 44 N -4.43 0.00 -1.91 0.62 0.00 -1.26 -5.03 120.51 108.49 2pdz n ALA 44 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.09 2pdz n ALA 44 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 2pdz n ALA 44 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2pdz s LEU 45 N -2.52 2.90 0.13 0.00 1.98 -1.22 -4.89 118.68 115.08 2pdz s LEU 45 Ca 0.00 -1.13 0.08 0.00 -2.89 0.00 0.00 54.13 50.19 2pdz s LEU 45 Cb 0.00 -2.58 -0.04 0.00 0.66 0.00 0.00 46.19 44.23 2pdz s LEU 45 CO 0.00 -3.46 -0.12 0.72 -1.89 0.00 0.00 176.35 171.60 2pdz s PHE 46 N 12.52 2.65 1.07 5.38 -0.12 -1.26 -4.08 117.98 134.14 2pdz s PHE 46 Ca 0.74 -0.20 -0.22 0.00 -0.05 0.00 0.00 56.93 57.20 2pdz s PHE 46 Cb -0.04 -1.36 -0.01 0.00 -0.63 0.00 0.00 43.02 40.98 2pdz s PHE 46 CO 0.11 0.44 -0.54 0.28 -0.05 0.00 0.00 175.22 175.46 2pdz n VAL 47 N 0.51 0.00 -2.64 -2.49 0.31 -1.26 -3.36 118.33 109.40 2pdz n VAL 47 Ca -0.13 -0.20 -0.15 0.00 -0.01 0.00 0.00 64.34 63.85 2pdz n VAL 47 Cb 0.53 -0.38 0.02 0.00 -0.91 0.00 0.00 33.84 33.10 2pdz n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pdz n GLY 48 N 2.55 -0.16 3.14 2.92 0.00 -0.56 -4.90 105.19 108.17 2pdz n GLY 48 Ca -0.00 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2pdz n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pdz s ASP 49 N -2.68 4.95 -0.50 1.61 1.01 -1.21 -1.26 116.67 118.59 2pdz s ASP 49 Ca 0.15 -1.58 -0.26 0.00 0.71 0.00 0.00 52.55 51.57 2pdz s ASP 49 Cb -0.07 -1.73 0.03 0.00 1.01 0.00 0.00 42.92 42.17 2pdz s ASP 49 CO 0.19 -0.34 1.00 0.00 0.21 0.00 0.00 175.17 176.22 2pdz s ALA 50 N 1.18 3.18 0.14 5.23 0.00 -1.02 -1.24 121.76 129.22 2pdz s ALA 50 Ca -0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 2pdz s ALA 50 Cb -0.20 -3.75 -0.07 0.00 0.00 0.00 0.00 23.12 19.10 2pdz s ALA 50 CO -0.03 -2.23 1.04 0.42 0.00 0.00 0.00 175.76 174.96 2pdz s ILE 51 N 4.07 4.20 -0.00 0.00 1.01 -0.20 0.53 121.20 130.81 2pdz s ILE 51 Ca 0.39 1.83 0.00 0.00 0.00 0.00 0.00 60.65 62.87 2pdz s ILE 51 Cb -0.10 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.21 2pdz s ILE 51 CO 0.26 0.29 0.84 0.18 0.00 0.00 0.00 174.94 176.50 2pdz n LEU 52 N 2.69 1.34 0.00 2.97 4.32 -0.54 -4.37 117.00 123.42 2pdz n LEU 52 Ca 0.03 -1.35 0.00 0.00 -0.02 0.00 0.00 56.01 54.67 2pdz n LEU 52 Cb 0.48 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 2pdz n LEU 52 CO 0.53 0.34 0.00 -1.54 -1.22 0.00 0.00 177.39 175.49 2pdz n SER 53 N -0.34 0.00 -4.62 -1.43 3.41 -1.26 -0.19 113.62 109.19 2pdz n SER 53 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 2pdz n SER 53 Cb 0.34 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 2pdz n SER 53 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2pdz s VAL 54 N 0.00 4.84 -1.43 -3.33 -7.23 -1.01 -2.16 120.40 110.09 2pdz s VAL 54 Ca 0.00 1.24 -0.05 0.00 -1.81 0.00 0.00 61.98 61.36 2pdz s VAL 54 Cb 0.00 -4.09 0.02 0.00 0.56 0.00 0.00 36.38 32.87 2pdz s VAL 54 CO 0.00 -0.15 0.42 0.59 -0.31 0.00 0.00 175.10 175.64 2pdz n ASN 55 N 6.05 -5.05 0.00 4.85 3.02 0.41 -0.56 115.26 123.97 2pdz n ASN 55 Ca 0.03 -0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 2pdz n ASN 55 Cb 0.48 -4.14 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 2pdz n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pdz n GLY 56 N -1.26 1.36 3.56 7.41 0.00 -1.26 -4.98 105.19 110.01 2pdz n GLY 56 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 2pdz n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pdz s GLU 57 N -0.66 3.33 -0.64 1.61 2.56 0.27 -4.91 118.70 120.27 2pdz s GLU 57 Ca 0.00 -0.90 -0.38 0.00 0.00 0.00 0.00 54.97 53.69 2pdz s GLU 57 Cb 0.00 -5.26 -0.19 0.00 2.00 0.00 0.00 34.13 30.68 2pdz s GLU 57 CO 0.00 -2.49 2.33 -0.25 -0.56 0.00 0.00 175.26 174.29 2pdz n ASP 58 N 10.12 0.82 0.00 -1.70 9.92 -1.26 -2.40 116.55 132.05 2pdz n ASP 58 Ca 0.34 0.45 0.10 0.00 -0.53 0.00 0.00 54.79 55.15 2pdz n ASP 58 Cb 0.50 -0.97 -0.08 0.00 -0.64 0.00 0.00 41.12 39.93 2pdz n ASP 58 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2pdz n LEU 59 N 9.01 0.92 -0.27 0.64 7.99 0.73 -4.35 117.00 131.67 2pdz n LEU 59 Ca 0.56 -0.43 0.15 0.00 -0.01 0.00 0.00 56.01 56.29 2pdz n LEU 59 Cb 0.03 -0.03 0.43 0.00 -0.11 0.00 0.00 43.42 43.75 2pdz n LEU 59 CO 0.88 0.23 1.22 0.77 -1.51 0.00 0.00 177.39 178.97 2pdz h SER 60 N 0.00 0.56 -1.62 -1.43 4.64 -1.60 -1.86 113.55 112.24 2pdz h SER 60 Ca 0.00 0.05 -0.64 0.00 -0.47 0.00 0.00 61.79 60.73 2pdz h SER 60 Cb 0.52 -0.06 -0.37 0.00 -0.31 0.00 0.00 62.40 62.18 2pdz h SER 60 CO 0.00 0.24 -0.16 -1.20 -0.87 0.00 0.00 176.83 174.84 2pdz n SER 61 N -4.57 5.63 -4.16 4.97 7.64 -1.26 -4.92 113.62 116.95 2pdz n SER 61 Ca 0.19 -3.76 -0.18 0.00 1.01 0.00 0.00 58.87 56.13 2pdz n SER 61 Cb 0.59 -0.65 -0.12 0.00 -1.01 0.00 0.00 64.21 63.02 2pdz n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pdz s ALA 62 N -3.71 1.15 0.80 -0.43 0.00 -0.70 -5.13 121.76 113.75 2pdz s ALA 62 Ca 0.50 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 2pdz s ALA 62 Cb 0.41 -0.11 0.07 0.00 0.00 0.00 0.00 23.12 23.50 2pdz s ALA 62 CO -0.24 0.17 1.09 0.95 0.00 0.00 0.00 175.76 177.72 2pdz s THR 63 N -1.20 3.18 0.60 0.00 -4.23 -1.26 -3.94 115.64 108.79 2pdz s THR 63 Ca -0.02 0.38 0.29 0.00 -1.18 0.00 0.00 61.69 61.17 2pdz s THR 63 Cb -0.10 -3.00 0.37 0.00 1.34 0.00 0.00 72.50 71.11 2pdz s THR 63 CO 0.02 -0.50 1.99 -0.74 -0.54 0.00 0.00 174.62 174.86 2pdz h HIS 64 N -1.16 0.00 -0.03 3.99 2.76 -1.87 0.85 115.15 119.69 2pdz h HIS 64 Ca -0.46 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 57.55 2pdz h HIS 64 Cb 1.25 0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.23 2pdz h HIS 64 CO 0.50 0.00 -0.59 -0.44 -1.30 0.00 0.00 177.93 176.11 2pdz h ASP 65 N 0.00 0.57 0.02 3.26 3.32 -1.97 -2.03 116.42 119.58 2pdz h ASP 65 Ca 0.14 -0.73 -0.00 0.00 0.02 0.00 0.00 57.03 56.46 2pdz h ASP 65 Cb 0.81 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 2pdz h ASP 65 CO -0.00 1.21 -0.02 -0.33 -1.72 0.00 0.00 179.24 178.39 2pdz h GLU 66 N -0.03 0.00 0.01 3.56 3.07 -1.20 0.19 114.58 120.18 2pdz h GLU 66 Ca -0.07 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 2pdz h GLU 66 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 2pdz h GLU 66 CO 0.12 0.02 -0.06 0.00 -1.40 0.00 0.00 179.01 177.68 2pdz h ALA 67 N 1.98 0.00 -0.03 3.43 0.00 -1.20 -3.23 119.26 120.22 2pdz h ALA 67 Ca -0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 2pdz h ALA 67 Cb 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2pdz h ALA 67 CO 0.00 -0.02 -0.31 0.28 0.00 0.00 0.00 179.25 179.20 2pdz h VAL 68 N -0.82 1.24 -0.75 0.00 2.07 -1.08 -2.17 116.25 114.74 2pdz h VAL 68 Ca -0.01 -1.13 0.06 0.00 0.82 0.00 0.00 66.70 66.44 2pdz h VAL 68 Cb 0.93 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 2pdz h VAL 68 CO 0.01 0.33 0.49 -0.61 0.02 0.00 0.00 177.57 177.81 2pdz h GLN 69 N 0.05 0.77 -0.12 1.57 4.15 -1.03 0.12 115.11 120.62 2pdz h GLN 69 Ca 0.01 -0.05 -0.18 0.00 0.77 0.00 0.00 58.65 59.20 2pdz h GLN 69 Cb 0.58 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 2pdz h GLN 69 CO 0.04 0.51 -0.66 0.00 -1.93 0.00 0.00 178.83 176.80 2pdz h ALA 70 N 1.59 0.63 0.00 3.38 0.00 -1.41 -2.10 119.26 121.35 2pdz h ALA 70 Ca 0.32 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 2pdz h ALA 70 Cb 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2pdz h ALA 70 CO -0.11 0.72 -0.42 -0.07 0.00 0.00 0.00 179.25 179.38 2pdz h LEU 71 N 0.35 0.00 0.14 0.00 -0.00 -0.87 -0.66 115.31 114.27 2pdz h LEU 71 Ca -0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.57 2pdz h LEU 71 Cb 1.22 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.90 2pdz h LEU 71 CO 0.12 0.42 -1.30 0.11 -0.00 0.00 0.00 178.44 177.79 2pdz h LYS 72 N 0.00 0.46 -0.84 1.13 1.57 -0.69 -3.28 116.57 114.92 2pdz h LYS 72 Ca -0.00 -0.71 -0.49 0.00 -1.87 0.00 0.00 60.65 57.57 2pdz h LYS 72 Cb 0.78 0.25 -0.27 0.00 0.08 0.00 0.00 32.23 33.07 2pdz h LYS 72 CO 0.05 1.32 0.44 1.17 -0.57 0.00 0.00 179.45 181.87 2pdz n LYS 73 N -3.68 2.38 -2.42 3.15 3.00 -0.80 -4.99 118.16 114.80 2pdz n LYS 73 Ca -0.12 -3.22 -0.41 0.00 -0.00 0.00 0.00 58.31 54.56 2pdz n LYS 73 Cb 1.03 -2.14 -0.04 0.00 0.00 0.00 0.00 35.03 33.88 2pdz n LYS 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2pdz s THR 74 N -3.81 3.49 0.81 3.15 2.01 -0.27 -4.96 115.64 116.06 2pdz s THR 74 Ca 0.56 1.40 -0.12 0.00 0.31 0.00 0.00 61.69 63.84 2pdz s THR 74 Cb 0.47 -3.89 0.18 0.00 0.01 0.00 0.00 72.50 69.27 2pdz s THR 74 CO 0.05 0.29 1.11 0.61 -0.69 0.00 0.00 174.62 175.98 2pdz n GLY 75 N 1.55 -1.12 0.35 4.40 0.00 -1.26 -4.99 105.19 104.12 2pdz n GLY 75 Ca 0.01 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 2pdz n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pdz h LYS 76 N 0.00 -0.62 -5.88 1.61 1.57 -1.92 -3.30 116.57 108.04 2pdz h LYS 76 Ca -0.36 0.04 -0.41 0.00 -1.87 0.00 0.00 60.65 58.05 2pdz h LYS 76 Cb 1.03 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 33.41 2pdz h LYS 76 CO 0.27 -0.41 1.03 -1.21 -0.57 0.00 0.00 179.45 178.56 2pdz s GLU 77 N -4.98 2.94 -1.17 3.15 2.02 -1.26 -1.80 118.70 117.59 2pdz s GLU 77 Ca -0.12 -0.55 -0.18 0.00 0.02 0.00 0.00 54.97 54.14 2pdz s GLU 77 Cb 0.04 -5.12 0.11 0.00 0.10 0.00 0.00 34.13 29.25 2pdz s GLU 77 CO 0.43 -2.92 1.51 0.08 0.02 0.00 0.00 175.26 174.38 2pdz s VAL 78 N 8.15 4.45 -0.06 2.63 1.01 0.28 -4.89 120.40 131.98 2pdz s VAL 78 Ca 0.61 -1.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 2pdz s VAL 78 Cb -0.05 -5.03 -0.03 0.00 0.00 0.00 0.00 36.38 31.27 2pdz s VAL 78 CO -0.03 -1.81 1.22 -0.69 0.00 0.00 0.00 175.10 173.79 2pdz s VAL 79 N 3.33 4.20 -0.12 2.92 1.01 -1.26 -0.36 120.40 130.12 2pdz s VAL 79 Ca 0.46 1.53 -0.01 0.00 0.00 0.00 0.00 61.98 63.97 2pdz s VAL 79 Cb -0.00 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.42 2pdz s VAL 79 CO -0.00 -0.01 -0.06 -0.76 0.00 0.00 0.00 175.10 174.27 2pdz s LEU 80 N 2.31 1.21 -0.15 3.92 1.43 0.30 0.15 118.68 127.85 2pdz s LEU 80 Ca 0.57 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 53.00 2pdz s LEU 80 Cb -0.25 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.15 2pdz s LEU 80 CO 0.22 -0.15 1.19 -0.70 0.23 0.00 0.00 176.35 177.14 2pdz s GLU 81 N 1.73 4.28 0.12 1.70 2.12 -0.92 -1.94 118.70 125.78 2pdz s GLU 81 Ca 0.04 1.58 0.11 0.00 0.36 0.00 0.00 54.97 57.06 2pdz s GLU 81 Cb -0.13 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.54 2pdz s GLU 81 CO -0.08 -0.61 -0.27 0.54 -0.54 0.00 0.00 175.26 174.31 2pdz s VAL 82 N 3.07 2.22 -0.68 3.70 0.11 -0.26 -1.46 120.40 127.10 2pdz s VAL 82 Ca 0.52 -1.70 -0.00 0.00 -2.93 0.00 0.00 61.98 57.87 2pdz s VAL 82 Cb -0.21 -1.95 0.17 0.00 -1.53 0.00 0.00 36.38 32.86 2pdz s VAL 82 CO 0.15 0.12 0.49 -0.75 -3.33 0.00 0.00 175.10 171.78 2pdz s LYS 83 N -1.95 2.61 -0.13 1.54 2.20 0.19 0.15 119.74 124.35 2pdz s LYS 83 Ca 0.13 -2.85 -0.34 0.00 -0.36 0.00 0.00 55.97 52.56 2pdz s LYS 83 Cb -0.10 -3.66 -0.11 0.00 -1.51 0.00 0.00 37.83 32.45 2pdz s LYS 83 CO 0.05 -1.20 1.95 0.98 -0.36 0.00 0.00 175.35 176.77 2pdz n TYR 84 N 2.92 2.23 -1.80 4.03 4.19 -1.26 -2.44 117.16 125.03 2pdz n TYR 84 Ca 0.12 0.01 -0.35 0.00 3.31 0.00 0.00 57.90 60.99 2pdz n TYR 84 Cb 0.36 -2.66 -0.00 0.00 0.49 0.00 0.00 39.34 37.53 2pdz n TYR 84 CO 0.00 0.00 0.00 -1.33 0.91 0.00 0.00 176.86 176.44 2pdz n MET 85 N 7.01 2.85 0.00 2.98 2.81 -0.39 -4.91 117.12 127.47 2pdz n MET 85 Ca 0.25 -3.13 0.15 0.00 -1.81 0.00 0.00 57.70 53.16 2pdz n MET 85 Cb 0.30 -2.25 0.68 0.00 -0.71 0.00 0.00 33.22 31.24 2pdz n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65