#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0y h ALA 2 N 0.00 1.61 -1.75 3.04 0.00 -1.94 -3.34 119.26 116.88 2k0y h ALA 2 Ca 0.00 0.03 -0.56 0.00 0.00 0.00 0.00 54.91 54.38 2k0y h ALA 2 Cb 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 2k0y h ALA 2 CO 0.00 0.13 1.15 0.95 0.00 0.00 0.00 179.25 181.48 2k0y s THR 3 N -5.88 3.73 -0.00 0.00 -4.23 -1.26 -4.93 115.64 103.08 2k0y s THR 3 Ca -0.11 0.71 -0.27 0.00 -1.18 0.00 0.00 61.69 60.84 2k0y s THR 3 Cb 0.22 -4.09 0.06 0.00 1.34 0.00 0.00 72.50 70.04 2k0y s THR 3 CO 0.80 -0.76 0.60 -0.22 -0.54 0.00 0.00 174.62 174.51 2k0y s LEU 4 N 6.20 -0.40 -0.11 4.79 2.96 -1.26 -4.58 118.68 126.29 2k0y s LEU 4 Ca 0.65 0.46 0.02 0.00 -0.22 0.00 0.00 54.13 55.04 2k0y s LEU 4 Cb -0.15 2.35 -0.01 0.00 0.50 0.00 0.00 46.19 48.88 2k0y s LEU 4 CO 0.31 -0.66 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.74 2k0y s LEU 5 N -1.55 2.49 0.00 -0.68 1.43 -1.26 -5.03 118.68 114.08 2k0y s LEU 5 Ca -0.09 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 2k0y s LEU 5 Cb -0.01 -1.53 0.04 0.00 0.03 0.00 0.00 46.19 44.72 2k0y s LEU 5 CO 0.04 0.18 0.36 0.35 0.23 0.00 0.00 176.35 177.51 2k0y n THR 6 N 3.41 0.00 -0.17 5.49 -2.24 -1.26 -4.88 114.28 114.64 2k0y n THR 6 Ca -0.18 -0.99 -0.04 0.00 -2.27 0.00 0.00 64.05 60.57 2k0y n THR 6 Cb 0.53 -0.66 0.06 0.00 -2.10 0.00 0.00 70.33 68.16 2k0y n THR 6 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2k0y h THR 7 N 0.16 0.95 -0.56 4.28 2.02 -1.99 0.33 112.91 118.10 2k0y h THR 7 Ca -0.14 -0.17 0.05 0.00 0.77 0.00 0.00 66.41 66.91 2k0y h THR 7 Cb 0.62 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 2k0y h THR 7 CO 0.21 0.09 0.30 -0.78 0.37 0.00 0.00 175.52 175.71 2k0y h ASP 8 N 0.50 0.44 -0.53 4.18 1.82 -1.95 0.13 116.42 121.01 2k0y h ASP 8 Ca 0.23 0.03 -0.11 0.00 -0.39 0.00 0.00 57.03 56.78 2k0y h ASP 8 Cb 0.15 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.08 2k0y h ASP 8 CO -0.17 0.30 -0.11 0.44 -1.61 0.00 0.00 179.24 178.09 2k0y h ASP 9 N 0.57 1.02 -0.48 2.28 3.32 -1.80 -2.14 116.42 119.20 2k0y h ASP 9 Ca 0.25 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 2k0y h ASP 9 Cb 0.14 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2k0y h ASP 9 CO -0.16 1.13 0.02 0.25 -1.72 0.00 0.00 179.24 178.76 2k0y h LEU 10 N 0.91 0.81 -0.43 1.55 5.85 -0.48 -2.41 115.31 121.10 2k0y h LEU 10 Ca 0.14 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.65 2k0y h LEU 10 Cb 0.67 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 2k0y h LEU 10 CO 0.05 0.90 0.00 -0.09 -0.34 0.00 0.00 178.44 178.96 2k0y h ARG 11 N 0.69 0.11 -0.69 1.25 2.43 -0.54 -2.18 114.38 115.44 2k0y h ARG 11 Ca 0.14 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.40 2k0y h ARG 11 Cb 0.48 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.93 2k0y h ARG 11 CO 0.02 0.07 0.31 0.00 -1.51 0.00 0.00 179.97 178.86 2k0y h ARG 12 N 0.11 0.51 -0.36 0.20 3.08 -0.93 0.53 114.38 117.52 2k0y h ARG 12 Ca 0.21 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 2k0y h ARG 12 Cb 0.31 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2k0y h ARG 12 CO -0.35 0.34 0.19 0.00 -1.07 0.00 0.00 179.97 179.08 2k0y h ALA 13 N 1.44 0.47 -0.09 0.04 0.00 -0.95 0.11 119.26 120.28 2k0y h ALA 13 Ca 0.35 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 2k0y h ALA 13 Cb 0.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2k0y h ALA 13 CO -0.30 0.00 -0.32 -0.07 0.00 0.00 0.00 179.25 178.56 2k0y h LEU 14 N 0.46 0.17 -0.09 0.00 4.07 -0.91 -0.37 115.31 118.64 2k0y h LEU 14 Ca 0.13 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 2k0y h LEU 14 Cb 0.08 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 2k0y h LEU 14 CO -0.02 0.50 0.02 0.58 -1.08 0.00 0.00 178.44 178.44 2k0y h VAL 15 N 0.15 1.20 -0.27 1.22 2.07 -0.22 -1.46 116.25 118.94 2k0y h VAL 15 Ca 0.02 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 66.95 2k0y h VAL 15 Cb 0.65 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 2k0y h VAL 15 CO 0.05 0.17 0.11 -0.33 0.02 0.00 0.00 177.57 177.59 2k0y h GLU 16 N -0.07 0.24 0.00 1.57 5.08 -0.42 -1.29 114.58 119.68 2k0y h GLU 16 Ca 0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2k0y h GLU 16 Cb 0.26 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2k0y h GLU 16 CO 0.00 0.16 0.00 0.66 -1.00 0.00 0.00 179.01 178.83 2k0y h SER 17 N 0.24 0.00 1.06 1.42 4.64 -1.06 -2.75 113.55 117.10 2k0y h SER 17 Ca 0.12 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.33 2k0y h SER 17 Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 2k0y h SER 17 CO -0.11 0.00 -1.00 0.00 -0.87 0.00 0.00 176.83 174.86 2k0y h ALA 18 N 2.20 0.65 0.00 5.18 0.00 -0.59 -3.49 119.26 123.21 2k0y h ALA 18 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2k0y h ALA 18 Cb 0.59 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2k0y h ALA 18 CO 0.00 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.25 2k0y n GLY 19 N 1.29 0.97 3.50 0.00 0.00 -0.55 -4.72 105.19 105.67 2k0y n GLY 19 Ca -0.04 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 2k0y n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0y s GLU 20 N 0.00 3.48 0.33 1.61 0.41 -1.26 -4.66 118.70 118.61 2k0y s GLU 20 Ca 0.00 -1.27 0.03 0.00 -0.41 0.00 0.00 54.97 53.33 2k0y s GLU 20 Cb 0.00 -4.89 -0.04 0.00 -1.78 0.00 0.00 34.13 27.42 2k0y s GLU 20 CO 0.00 -1.96 0.13 -0.08 -0.49 0.00 0.00 175.26 172.86 2k0y s THR 21 N 3.94 0.56 -0.45 3.63 -1.32 -1.26 -5.03 115.64 115.70 2k0y s THR 21 Ca 0.36 -2.00 0.22 0.00 -1.21 0.00 0.00 61.69 59.05 2k0y s THR 21 Cb -0.05 -2.52 -0.26 0.00 -1.51 0.00 0.00 72.50 68.16 2k0y s THR 21 CO -0.04 0.00 0.73 -0.90 -2.21 0.00 0.00 174.62 172.19 2k0y n ASP 22 N -0.96 0.46 0.00 8.08 5.75 -1.26 -4.95 116.55 123.67 2k0y n ASP 22 Ca -0.01 -0.36 0.00 0.00 -0.01 0.00 0.00 54.79 54.41 2k0y n ASP 22 Cb 0.65 1.42 0.00 0.00 -1.03 0.00 0.00 41.12 42.16 2k0y n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0y n GLY 23 N 1.36 0.80 7.00 6.12 0.00 -1.26 -4.99 105.19 114.22 2k0y n GLY 23 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k0y n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k0y n THR 24 N -2.04 0.00 -0.95 2.61 -2.24 -1.26 -0.64 114.28 109.76 2k0y n THR 24 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 2k0y n THR 24 Cb 0.00 0.00 0.35 0.00 -2.10 0.00 0.00 70.33 68.58 2k0y n THR 24 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k0y n ASP 25 N 2.96 5.04 -0.09 3.42 8.00 -1.26 -4.31 116.55 130.31 2k0y n ASP 25 Ca 0.00 -2.98 0.11 0.00 0.71 0.00 0.00 54.79 52.63 2k0y n ASP 25 Cb 0.00 -0.64 0.63 0.00 -0.02 0.00 0.00 41.12 41.10 2k0y n ASP 25 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k0y n LEU 26 N 0.18 0.27 -4.75 0.64 4.32 0.19 -4.78 117.00 113.06 2k0y n LEU 26 Ca 0.26 -0.11 -0.41 0.00 -0.02 0.00 0.00 56.01 55.73 2k0y n LEU 26 Cb 1.09 -0.01 -0.01 0.00 -1.62 0.00 0.00 43.42 42.87 2k0y n LEU 26 CO 0.26 0.05 1.22 -0.44 -1.22 0.00 0.00 177.39 177.27 2k0y s SER 27 N -1.71 6.39 0.78 -1.43 0.01 -1.26 -4.40 113.70 112.07 2k0y s SER 27 Ca 0.34 2.95 0.00 0.00 1.31 0.00 0.00 55.95 60.55 2k0y s SER 27 Cb 0.16 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2k0y s SER 27 CO 0.27 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.63 2k0y n GLY 28 N 1.92 1.99 3.55 3.44 0.00 -1.26 -4.39 105.19 110.44 2k0y n GLY 28 Ca 0.07 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 2k0y n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k0y s ASP 29 N -4.00 6.36 -0.08 1.61 1.11 -1.26 -4.68 116.67 115.73 2k0y s ASP 29 Ca 0.00 -0.03 0.14 0.00 0.18 0.00 0.00 52.55 52.84 2k0y s ASP 29 Cb 0.00 -2.30 0.46 0.00 1.07 0.00 0.00 42.92 42.14 2k0y s ASP 29 CO 0.00 -0.60 1.38 2.22 1.18 0.00 0.00 175.17 179.35 2k0y n PHE 30 N 5.99 0.80 0.07 4.23 -1.74 -1.26 -4.66 117.46 120.88 2k0y n PHE 30 Ca -0.03 -0.65 0.21 0.00 -0.56 0.00 0.00 57.45 56.43 2k0y n PHE 30 Cb 0.48 -0.16 0.74 0.00 1.52 0.00 0.00 39.48 42.07 2k0y n PHE 30 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 2k0y h LEU 31 N 2.33 0.00 0.00 5.98 3.38 -1.93 0.22 115.31 125.29 2k0y h LEU 31 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k0y h LEU 31 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2k0y h LEU 31 CO 0.11 0.00 -0.83 -0.90 0.09 0.00 0.00 178.44 176.91 2k0y n ASP 32 N -3.89 0.72 -4.63 -0.43 5.75 -1.26 -2.93 116.55 109.89 2k0y n ASP 32 Ca 0.08 -0.55 -0.43 0.00 -0.01 0.00 0.00 54.79 53.88 2k0y n ASP 32 Cb 0.61 0.69 -0.03 0.00 -1.03 0.00 0.00 41.12 41.37 2k0y n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2k0y s LEU 33 N -3.19 3.98 0.47 -2.12 1.02 0.79 -4.99 118.68 114.63 2k0y s LEU 33 Ca 0.08 0.89 -0.20 0.00 0.02 0.00 0.00 54.13 54.92 2k0y s LEU 33 Cb 0.16 -3.40 -0.09 0.00 0.02 0.00 0.00 46.19 42.88 2k0y s LEU 33 CO 0.79 -0.82 1.03 -0.13 0.02 0.00 0.00 176.35 177.24 2k0y s ARG 34 N 3.48 3.87 0.23 1.70 0.52 -1.26 -4.36 118.95 123.13 2k0y s ARG 34 Ca 0.41 1.33 -0.07 0.00 -0.52 0.00 0.00 55.73 56.89 2k0y s ARG 34 Cb -0.13 -2.12 0.21 0.00 0.52 0.00 0.00 34.95 33.44 2k0y s ARG 34 CO 0.15 -0.36 1.84 0.74 0.02 0.00 0.00 175.30 177.69 2k0y h PHE 35 N 1.64 1.22 -0.36 -0.53 0.04 -1.80 -0.68 116.94 116.47 2k0y h PHE 35 Ca -0.49 -0.04 0.06 0.00 2.80 0.00 0.00 57.97 60.29 2k0y h PHE 35 Cb 1.21 -0.39 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 2k0y h PHE 35 CO 0.58 0.86 0.25 1.05 -0.60 0.00 0.00 178.31 180.44 2k0y h GLU 36 N 1.23 0.24 0.00 1.51 4.11 -1.84 0.28 114.58 120.12 2k0y h GLU 36 Ca 0.30 -0.01 -0.14 0.00 0.07 0.00 0.00 59.36 59.58 2k0y h GLU 36 Cb 0.07 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2k0y h GLU 36 CO -0.04 0.16 -0.79 0.22 0.07 0.00 0.00 179.01 178.62 2k0y h ASP 37 N 0.25 0.00 -0.61 3.06 3.58 -1.51 -3.01 116.42 118.18 2k0y h ASP 37 Ca 0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2k0y h ASP 37 Cb 0.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2k0y h ASP 37 CO -0.03 0.60 0.00 2.30 -2.88 0.00 0.00 179.24 179.23 2k0y n ILE 38 N -3.17 1.62 -3.45 2.25 -5.35 -0.68 -4.93 119.36 105.65 2k0y n ILE 38 Ca -0.01 -1.07 -0.21 0.00 -0.27 0.00 0.00 62.75 61.20 2k0y n ILE 38 Cb 0.79 0.12 0.07 0.00 -1.74 0.00 0.00 39.64 38.88 2k0y n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k0y n GLY 39 N 1.13 -0.36 3.17 3.28 0.00 -0.72 -5.00 105.19 106.70 2k0y n GLY 39 Ca 0.24 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 2k0y n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0y s TYR 40 N -3.29 3.11 0.45 1.61 1.51 0.92 -5.01 117.35 116.65 2k0y s TYR 40 Ca 0.47 -1.71 -0.09 0.00 -1.01 0.00 0.00 57.07 54.73 2k0y s TYR 40 Cb -0.21 -2.04 -0.05 0.00 -0.11 0.00 0.00 41.96 39.55 2k0y s TYR 40 CO 0.64 -0.77 0.80 -0.51 -1.11 0.00 0.00 175.55 174.61 2k0y s ASP 41 N 1.28 6.41 0.44 2.29 1.01 -1.26 -3.85 116.67 123.00 2k0y s ASP 41 Ca -0.02 1.10 0.18 0.00 0.71 0.00 0.00 52.55 54.53 2k0y s ASP 41 Cb -0.17 -2.32 1.13 0.00 1.01 0.00 0.00 42.92 42.57 2k0y s ASP 41 CO -0.04 -0.50 1.90 0.77 0.21 0.00 0.00 175.17 177.51 2k0y h SER 42 N 0.77 0.33 -0.06 0.27 4.64 -1.93 0.95 113.55 118.53 2k0y h SER 42 Ca -0.47 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 2k0y h SER 42 Cb 1.19 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2k0y h SER 42 CO 0.63 0.16 0.01 0.25 -0.87 0.00 0.00 176.83 177.00 2k0y h LEU 43 N 0.34 0.09 -0.82 5.97 7.12 -1.93 0.26 115.31 126.35 2k0y h LEU 43 Ca 0.39 -0.26 -0.03 0.00 0.13 0.00 0.00 57.88 58.11 2k0y h LEU 43 Cb 1.03 -0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 41.10 2k0y h LEU 43 CO -0.12 0.33 0.40 0.00 -0.13 0.00 0.00 178.44 178.92 2k0y h ALA 44 N 0.76 1.05 -0.81 1.25 0.00 -1.72 -2.31 119.26 117.49 2k0y h ALA 44 Ca 0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k0y h ALA 44 Cb 0.28 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2k0y h ALA 44 CO 0.00 0.62 0.50 1.25 0.00 0.00 0.00 179.25 181.62 2k0y h LEU 45 N 1.16 0.96 -0.85 0.00 5.85 -0.53 -1.06 115.31 120.83 2k0y h LEU 45 Ca 0.28 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 2k0y h LEU 45 Cb 0.11 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 2k0y h LEU 45 CO -0.04 0.73 0.46 0.24 -0.34 0.00 0.00 178.44 179.49 2k0y h MET 46 N 1.11 1.19 -0.32 1.25 2.86 -0.03 -0.18 114.93 120.81 2k0y h MET 46 Ca 0.29 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.72 2k0y h MET 46 Cb -0.07 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.34 2k0y h MET 46 CO -0.06 0.88 -0.10 1.49 1.06 0.00 0.00 176.91 180.18 2k0y h GLU 47 N 1.19 0.54 0.55 1.72 4.81 -0.83 0.57 114.58 123.13 2k0y h GLU 47 Ca 0.30 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2k0y h GLU 47 Cb 0.04 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.36 2k0y h GLU 47 CO -0.05 0.64 -0.26 1.15 -0.73 0.00 0.00 179.01 179.76 2k0y h THR 48 N 0.51 0.38 -0.74 0.32 2.02 -0.60 -1.47 112.91 113.33 2k0y h THR 48 Ca 0.10 -0.29 0.08 0.00 0.77 0.00 0.00 66.41 67.06 2k0y h THR 48 Cb 0.48 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 2k0y h THR 48 CO 0.03 0.04 0.49 0.00 0.37 0.00 0.00 175.52 176.45 2k0y h ALA 49 N -0.61 1.74 -0.92 6.16 0.00 -0.87 -2.02 119.26 122.74 2k0y h ALA 49 Ca -0.08 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2k0y h ALA 49 Cb 0.63 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2k0y h ALA 49 CO 0.12 0.13 0.59 0.00 0.00 0.00 0.00 179.25 180.10 2k0y h ALA 50 N 1.61 1.21 -0.61 0.00 0.00 0.67 0.51 119.26 122.64 2k0y h ALA 50 Ca 0.33 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2k0y h ALA 50 Cb 0.34 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2k0y h ALA 50 CO -0.12 0.46 0.24 0.00 0.00 0.00 0.00 179.25 179.83 2k0y h ARG 51 N 1.15 0.92 -0.50 0.00 3.08 -0.54 -0.81 114.38 117.68 2k0y h ARG 51 Ca 0.37 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 2k0y h ARG 51 Cb 0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 2k0y h ARG 51 CO -0.12 0.79 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.49 2k0y h LEU 52 N 0.86 0.88 0.05 3.04 3.38 -1.02 -0.36 115.31 122.14 2k0y h LEU 52 Ca 0.20 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2k0y h LEU 52 Cb 0.22 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2k0y h LEU 52 CO -0.02 0.98 -0.20 -0.33 0.09 0.00 0.00 178.44 178.96 2k0y h GLU 53 N 0.76 -0.33 -0.29 1.13 5.08 0.40 0.37 114.58 121.69 2k0y h GLU 53 Ca 0.14 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2k0y h GLU 53 Cb 0.53 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2k0y h GLU 53 CO 0.03 -0.22 0.14 0.77 -1.00 0.00 0.00 179.01 178.72 2k0y h SER 54 N -0.35 0.38 -0.28 1.42 0.02 -1.07 0.21 113.55 113.88 2k0y h SER 54 Ca 0.04 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2k0y h SER 54 Cb 0.40 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2k0y h SER 54 CO -0.15 0.40 0.03 -0.09 -1.14 0.00 0.00 176.83 175.89 2k0y h ARG 55 N 0.33 0.47 -0.42 3.45 2.43 -0.85 -3.08 114.38 116.70 2k0y h ARG 55 Ca 0.10 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2k0y h ARG 55 Cb 0.13 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2k0y h ARG 55 CO -0.01 0.60 0.00 0.66 -1.51 0.00 0.00 179.97 179.70 2k0y n TYR 56 N -4.64 0.55 -3.28 2.20 4.01 0.10 -4.95 117.16 111.15 2k0y n TYR 56 Ca -0.03 -0.27 -0.15 0.00 -0.16 0.00 0.00 57.90 57.28 2k0y n TYR 56 Cb 0.22 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.33 2k0y n TYR 56 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2k0y n GLY 57 N 1.44 -0.51 3.43 2.72 0.00 -0.13 -4.40 105.19 107.74 2k0y n GLY 57 Ca 0.19 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 46.18 2k0y n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k0y s VAL 58 N -3.34 0.48 -0.05 1.61 -7.23 0.56 -4.83 120.40 107.60 2k0y s VAL 58 Ca 0.12 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.27 2k0y s VAL 58 Cb -0.02 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.51 2k0y s VAL 58 CO 0.69 0.00 0.09 -0.55 -0.31 0.00 0.00 175.10 175.02 2k0y s SER 59 N -3.50 0.01 -0.21 4.85 0.15 -1.26 -4.37 113.70 109.37 2k0y s SER 59 Ca 0.30 0.18 -0.06 0.00 0.70 0.00 0.00 55.95 57.07 2k0y s SER 59 Cb 0.04 0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.39 2k0y s SER 59 CO 0.17 -0.14 0.03 -0.63 1.20 0.00 0.00 173.24 173.87 2k0y s ILE 60 N 1.17 4.21 0.04 6.45 1.01 -1.26 -5.07 121.20 127.76 2k0y s ILE 60 Ca -0.09 -0.22 -0.35 0.00 0.00 0.00 0.00 60.65 59.99 2k0y s ILE 60 Cb -0.12 -2.92 -0.14 0.00 0.01 0.00 0.00 42.46 39.28 2k0y s ILE 60 CO -0.05 0.41 1.62 -2.65 0.00 0.00 0.00 174.94 174.27 2k0y n PRO 61 N 4.33 1.85 -0.10 2.79 -0.02 -1.26 -4.78 135.00 137.81 2k0y n PRO 61 Ca -0.17 0.67 0.23 0.00 -2.02 0.00 0.00 63.50 62.22 2k0y n PRO 61 Cb 0.52 -2.43 0.67 0.00 -0.02 0.00 0.00 33.50 32.25 2k0y n PRO 61 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2k0y h ASP 62 N 6.61 0.07 -0.09 2.55 2.03 -1.98 0.22 116.42 125.82 2k0y h ASP 62 Ca -0.47 0.01 -0.04 0.00 -0.73 0.00 0.00 57.03 55.80 2k0y h ASP 62 Cb 1.28 -0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 39.77 2k0y h ASP 62 CO 0.89 0.03 -0.09 -0.78 -1.03 0.00 0.00 179.24 178.26 2k0y h ASP 63 N 0.07 0.24 0.35 4.15 1.82 -1.97 -3.22 116.42 117.85 2k0y h ASP 63 Ca 0.35 -0.49 -0.16 0.00 -0.39 0.00 0.00 57.03 56.35 2k0y h ASP 63 Cb 1.29 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 41.22 2k0y h ASP 63 CO -0.03 0.67 -0.64 0.58 -1.61 0.00 0.00 179.24 178.22 2k0y h VAL 64 N -0.19 1.39 -0.17 2.25 2.07 -1.48 -1.23 116.25 118.88 2k0y h VAL 64 Ca 0.01 -2.04 0.05 0.00 0.82 0.00 0.00 66.70 65.55 2k0y h VAL 64 Cb 0.61 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2k0y h VAL 64 CO 0.02 0.60 0.15 0.00 0.02 0.00 0.00 177.57 178.37 2k0y h ALA 65 N 1.13 1.93 0.00 1.67 0.00 -0.69 -0.46 119.26 122.85 2k0y h ALA 65 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k0y h ALA 65 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k0y h ALA 65 CO 0.10 -0.24 -0.02 0.41 0.00 0.00 0.00 179.25 179.50 2k0y n GLY 66 N -1.47 4.59 0.01 0.00 0.00 -1.00 -4.38 105.19 102.94 2k0y n GLY 66 Ca 0.01 -1.03 0.10 0.00 0.00 0.00 0.00 46.02 45.11 2k0y n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k0y n ARG 67 N -1.33 0.61 -2.63 1.61 3.00 -0.19 -4.92 116.66 112.81 2k0y n ARG 67 Ca 0.14 -0.18 -0.43 0.00 -0.00 0.00 0.00 57.85 57.39 2k0y n ARG 67 Cb 0.62 -1.49 -0.02 0.00 0.00 0.00 0.00 32.46 31.56 2k0y n ARG 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2k0y s VAL 68 N -3.41 4.65 -0.08 5.15 -7.23 -1.14 -4.90 120.40 113.43 2k0y s VAL 68 Ca -0.07 1.94 0.10 0.00 -1.81 0.00 0.00 61.98 62.15 2k0y s VAL 68 Cb 0.14 -4.25 -0.24 0.00 0.56 0.00 0.00 36.38 32.59 2k0y s VAL 68 CO 0.87 -0.05 0.52 0.47 -0.31 0.00 0.00 175.10 176.59 2k0y n ASP 69 N 5.46 0.98 -4.24 4.85 8.00 -1.26 -4.91 116.55 125.43 2k0y n ASP 69 Ca 0.10 0.32 -0.25 0.00 0.71 0.00 0.00 54.79 55.67 2k0y n ASP 69 Cb 0.47 -0.06 -0.14 0.00 -0.02 0.00 0.00 41.12 41.38 2k0y n ASP 69 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2k0y s THR 70 N -2.58 1.61 0.48 -3.53 -4.23 -1.26 -2.72 115.64 103.41 2k0y s THR 70 Ca -0.09 -1.20 0.21 0.00 -1.18 0.00 0.00 61.69 59.44 2k0y s THR 70 Cb 0.08 -1.41 0.39 0.00 1.34 0.00 0.00 72.50 72.89 2k0y s THR 70 CO 0.81 0.17 1.95 -0.65 -0.54 0.00 0.00 174.62 176.36 2k0y h PRO 71 N 4.83 0.20 -0.79 3.99 0.11 -1.75 -1.68 132.00 136.92 2k0y h PRO 71 Ca -0.42 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.80 2k0y h PRO 71 Cb 1.16 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.14 2k0y h PRO 71 CO 0.44 0.13 0.38 0.07 -0.21 0.00 0.00 178.00 178.81 2k0y h ARG 72 N 0.20 0.57 -0.14 1.05 0.11 -1.87 0.39 114.38 114.70 2k0y h ARG 72 Ca 0.33 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.36 2k0y h ARG 72 Cb 1.02 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.96 2k0y h ARG 72 CO -0.06 0.38 0.03 0.93 0.10 0.00 0.00 179.97 181.35 2k0y h GLU 73 N 0.59 0.23 -0.48 0.08 4.39 -1.63 -1.48 114.58 116.27 2k0y h GLU 73 Ca 0.42 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.98 2k0y h GLU 73 Cb 0.55 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2k0y h GLU 73 CO -0.34 0.38 -0.02 1.25 -1.16 0.00 0.00 179.01 179.12 2k0y h LEU 74 N 0.03 0.84 0.05 1.33 7.12 -1.32 0.28 115.31 123.64 2k0y h LEU 74 Ca 0.04 -0.32 0.02 0.00 0.13 0.00 0.00 57.88 57.75 2k0y h LEU 74 Cb 0.26 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.14 2k0y h LEU 74 CO 0.00 0.95 -0.14 0.25 -0.13 0.00 0.00 178.44 179.37 2k0y h LEU 75 N 0.71 -0.41 -0.68 2.25 5.85 -0.19 -1.29 115.31 121.55 2k0y h LEU 75 Ca 0.13 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.92 2k0y h LEU 75 Cb 0.53 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 2k0y h LEU 75 CO 0.03 -0.21 0.44 -0.78 -0.34 0.00 0.00 178.44 177.58 2k0y h ASP 76 N -0.27 0.76 -0.33 1.25 3.58 -0.99 0.28 116.42 120.70 2k0y h ASP 76 Ca 0.03 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.47 2k0y h ASP 76 Cb 0.30 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2k0y h ASP 76 CO -0.10 0.55 0.20 0.25 -2.88 0.00 0.00 179.24 177.26 2k0y h LEU 77 N 0.90 0.34 -0.52 2.28 7.12 -0.68 0.18 115.31 124.94 2k0y h LEU 77 Ca 0.25 -0.00 -0.16 0.00 0.13 0.00 0.00 57.88 58.10 2k0y h LEU 77 Cb -0.08 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 39.97 2k0y h LEU 77 CO -0.07 0.25 -0.60 0.40 -0.13 0.00 0.00 178.44 178.30 2k0y h ILE 78 N 0.42 1.34 -0.93 4.05 2.04 -0.84 -1.59 117.51 122.00 2k0y h ILE 78 Ca 0.12 -1.89 0.01 0.00 1.00 0.00 0.00 64.86 64.10 2k0y h ILE 78 Cb -0.03 1.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 2k0y h ILE 78 CO -0.04 0.58 0.62 0.78 0.00 0.00 0.00 178.15 180.08 2k0y h ASN 79 N 0.35 1.06 0.29 1.72 -0.26 0.12 0.23 115.58 119.09 2k0y h ASN 79 Ca -0.00 -0.02 -0.12 0.00 -0.56 0.00 0.00 56.30 55.59 2k0y h ASN 79 Cb 1.14 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 38.13 2k0y h ASN 79 CO 0.11 0.76 -0.48 1.23 -1.06 0.00 0.00 177.43 177.99 2k0y h GLY 80 N 1.25 0.25 0.71 2.83 0.00 -0.43 -0.67 103.07 107.01 2k0y h GLY 80 Ca 0.35 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 2k0y h GLY 80 CO -0.08 0.23 -0.22 0.00 0.00 0.00 0.00 176.54 176.47 2k0y h ALA 81 N 1.32 0.18 0.00 3.60 0.00 -0.52 -3.06 119.26 120.78 2k0y h ALA 81 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2k0y h ALA 81 Cb 0.92 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2k0y h ALA 81 CO 0.07 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.74 2k0y n LEU 82 N -4.50 0.00 0.19 0.00 4.32 0.72 -1.04 117.00 116.69 2k0y n LEU 82 Ca -0.07 0.34 0.04 0.00 -0.02 0.00 0.00 56.01 56.30 2k0y n LEU 82 Cb 0.42 -0.34 0.38 0.00 -1.62 0.00 0.00 43.42 42.26 2k0y n LEU 82 CO 0.40 -0.12 0.71 0.00 -1.22 0.00 0.00 177.39 177.16 2k0y h ALA 83 N 2.84 1.21 0.00 -1.18 0.00 -1.00 -2.13 119.26 119.00 2k0y h ALA 83 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.35 2k0y h ALA 83 Cb 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2k0y h ALA 83 CO 0.00 0.47 -1.82 0.39 0.00 0.00 0.00 179.25 178.29 2k0y n GLU 84 N -3.85 1.37 -4.39 0.00 1.02 -0.40 -4.50 120.64 109.90 2k0y n GLU 84 Ca -0.01 0.03 -0.35 0.00 -0.02 0.00 0.00 57.16 56.81 2k0y n GLU 84 Cb 0.44 -1.30 -0.10 0.00 -0.02 0.00 0.00 31.44 30.47 2k0y n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k0y s ALA 85 N -2.29 3.26 0.00 0.62 0.00 -0.21 -5.10 121.76 118.04 2k0y s ALA 85 Ca -0.12 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2k0y s ALA 85 Cb 0.04 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.72 2k0y s ALA 85 CO 0.42 0.59 0.00 0.00 0.00 0.00 0.00 175.76 176.77