#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0y s ALA 2 N 0.00 3.39 -0.31 3.04 0.00 0.31 -4.96 121.76 123.23 2k0y s ALA 2 Ca 0.00 0.48 -0.24 0.00 0.00 0.00 0.00 51.96 52.20 2k0y s ALA 2 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2k0y s ALA 2 CO 0.00 -0.59 0.82 0.99 0.00 0.00 0.00 175.76 176.99 2k0y s THR 3 N 1.89 4.75 0.55 0.00 2.01 -1.26 -4.48 115.64 119.10 2k0y s THR 3 Ca 0.51 1.22 -0.19 0.00 0.31 0.00 0.00 61.69 63.55 2k0y s THR 3 Cb -0.21 -4.19 -0.06 0.00 0.01 0.00 0.00 72.50 68.06 2k0y s THR 3 CO 0.21 -0.30 1.09 -0.22 -0.69 0.00 0.00 174.62 174.71 2k0y s LEU 4 N 3.06 3.70 -0.14 4.42 2.96 -1.26 -5.00 118.68 126.42 2k0y s LEU 4 Ca 0.34 2.02 -0.16 0.00 -0.22 0.00 0.00 54.13 56.11 2k0y s LEU 4 Cb -0.14 -4.56 -0.04 0.00 0.50 0.00 0.00 46.19 41.94 2k0y s LEU 4 CO 0.13 -1.12 0.39 -0.76 -1.32 0.00 0.00 176.35 173.67 2k0y s LEU 5 N -3.93 4.26 0.00 -0.68 1.43 -1.26 -4.98 118.68 113.53 2k0y s LEU 5 Ca 0.69 0.66 0.03 0.00 -1.03 0.00 0.00 54.13 54.49 2k0y s LEU 5 Cb -0.20 -2.54 0.04 0.00 0.03 0.00 0.00 46.19 43.53 2k0y s LEU 5 CO 0.28 0.05 0.33 0.35 0.23 0.00 0.00 176.35 177.59 2k0y n THR 6 N 3.62 0.00 -0.14 5.49 -2.24 -1.26 -4.88 114.28 114.87 2k0y n THR 6 Ca -0.09 -0.75 -0.05 0.00 -2.27 0.00 0.00 64.05 60.89 2k0y n THR 6 Cb 0.52 -0.86 0.04 0.00 -2.10 0.00 0.00 70.33 67.93 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 -0.03 0.91 -0.66 4.28 2.02 -1.98 -0.60 112.91 116.85 2k0y h THR 7 Ca -0.11 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 2k0y h THR 7 Cb 0.49 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 2k0y h THR 7 CO 0.15 0.07 0.09 -0.78 0.37 0.00 0.00 175.52 175.42 2k0y h ASP 8 N 0.38 1.06 -0.68 4.18 3.58 -1.95 0.44 116.42 123.43 2k0y h ASP 8 Ca 0.20 -0.26 -0.08 0.00 0.42 0.00 0.00 57.03 57.31 2k0y h ASP 8 Cb 0.16 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 2k0y h ASP 8 CO -0.18 1.06 0.11 0.44 -2.88 0.00 0.00 179.24 177.80 2k0y h ASP 9 N 1.03 1.08 0.14 2.28 3.32 -1.87 -0.07 116.42 122.33 2k0y h ASP 9 Ca 0.20 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2k0y h ASP 9 Cb 0.46 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2k0y h ASP 9 CO 0.02 1.06 -0.07 0.25 -1.72 0.00 0.00 179.24 178.78 2k0y h LEU 10 N 1.05 -0.16 -0.74 1.55 5.85 -0.85 -3.07 115.31 118.95 2k0y h LEU 10 Ca 0.21 -0.24 0.17 0.00 0.84 0.00 0.00 57.88 58.85 2k0y h LEU 10 Cb 0.44 0.04 -0.13 0.00 0.37 0.00 0.00 40.66 41.38 2k0y h LEU 10 CO 0.01 0.17 0.03 -0.09 -0.34 0.00 0.00 178.44 178.22 2k0y h ARG 11 N -0.49 0.12 -0.27 1.25 2.43 0.18 -0.46 114.38 117.14 2k0y h ARG 11 Ca -0.02 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2k0y h ARG 11 Cb 0.39 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 2k0y h ARG 11 CO 0.03 0.08 0.03 -0.09 -1.51 0.00 0.00 179.97 178.51 2k0y h ARG 12 N 0.13 0.12 -0.59 0.20 2.43 -0.99 0.82 114.38 116.50 2k0y h ARG 12 Ca 0.41 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.51 2k0y h ARG 12 Cb 0.72 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 2k0y h ARG 12 CO -0.63 0.08 0.13 0.00 -1.51 0.00 0.00 179.97 178.03 2k0y h ALA 13 N 1.21 1.11 -0.40 2.80 0.00 -1.04 0.11 119.26 123.06 2k0y h ALA 13 Ca 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2k0y h ALA 13 Cb 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2k0y h ALA 13 CO -0.19 0.59 0.17 -0.07 0.00 0.00 0.00 179.25 179.76 2k0y h LEU 14 N 0.89 0.54 0.24 0.00 -0.00 -0.55 -0.60 115.31 115.83 2k0y h LEU 14 Ca 0.19 -0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 57.90 2k0y h LEU 14 Cb 0.34 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 2k0y h LEU 14 CO 0.00 0.55 -0.12 0.58 -0.00 0.00 0.00 178.44 179.45 2k0y h VAL 15 N 0.51 0.76 -0.85 1.22 2.07 -0.17 0.57 116.25 120.36 2k0y h VAL 15 Ca 0.14 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.71 2k0y h VAL 15 Cb 0.16 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 2k0y h VAL 15 CO -0.01 0.00 0.53 -0.33 0.02 0.00 0.00 177.57 177.78 2k0y h GLU 16 N -0.33 0.96 0.02 1.57 5.08 -0.69 0.11 114.58 121.30 2k0y h GLU 16 Ca -0.03 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.06 2k0y h GLU 16 Cb 0.25 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2k0y h GLU 16 CO 0.05 0.63 -0.95 0.77 -1.00 0.00 0.00 179.01 178.51 2k0y h SER 17 N 0.98 0.25 1.81 1.42 0.02 -0.93 -3.08 113.55 114.03 2k0y h SER 17 Ca 0.36 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2k0y h SER 17 Cb 0.13 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2k0y h SER 17 CO -0.16 1.07 0.00 0.00 -1.14 0.00 0.00 176.83 176.60 2k0y h ALA 18 N 0.91 1.00 0.00 3.77 0.00 -0.40 -3.48 119.26 121.06 2k0y h ALA 18 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k0y h ALA 18 Cb 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2k0y h ALA 18 CO 0.14 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.80 2k0y n GLY 19 N 0.94 3.45 0.00 0.00 0.00 0.36 -4.92 105.19 105.01 2k0y n GLY 19 Ca 0.04 -0.80 0.01 0.00 0.00 0.00 0.00 46.02 45.27 2k0y n GLY 19 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k0y n GLU 20 N 0.00 0.04 0.08 1.61 -0.00 -1.23 -2.23 120.64 118.91 2k0y n GLU 20 Ca 0.00 0.25 -0.12 0.00 -0.00 0.00 0.00 57.16 57.29 2k0y n GLU 20 Cb 0.00 -1.50 -0.08 0.00 -0.00 0.00 0.00 31.44 29.86 2k0y n GLU 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k0y h THR 21 N 0.00 0.83 -3.18 3.84 1.03 -1.92 -3.46 112.91 110.05 2k0y h THR 21 Ca 0.00 -0.96 -0.26 0.00 -0.01 0.00 0.00 66.41 65.18 2k0y h THR 21 Cb 0.02 1.33 -0.33 0.00 -1.07 0.00 0.00 68.15 68.10 2k0y h THR 21 CO 0.00 0.19 -0.61 -1.81 -0.01 0.00 0.00 175.52 173.28 2k0y s ASP 22 N -5.36 0.18 -0.61 0.00 1.11 -0.95 -5.04 116.67 106.00 2k0y s ASP 22 Ca -0.13 0.32 -0.04 0.00 0.18 0.00 0.00 52.55 52.88 2k0y s ASP 22 Cb 0.01 0.23 0.11 0.00 1.07 0.00 0.00 42.92 44.34 2k0y s ASP 22 CO 0.51 -0.18 2.62 0.61 1.18 0.00 0.00 175.17 179.90 2k0y n GLY 23 N 4.60 4.63 7.00 0.21 0.00 -1.26 -4.49 105.19 115.89 2k0y n GLY 23 Ca -0.19 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.84 2k0y n GLY 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k0y n THR 24 N 0.77 0.00 -1.64 2.61 -1.04 -1.26 -1.40 114.28 112.32 2k0y n THR 24 Ca 0.51 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.58 2k0y n THR 24 Cb 0.47 0.00 0.18 0.00 -1.82 0.00 0.00 70.33 69.16 2k0y n THR 24 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2k0y n ASP 25 N 4.45 1.68 -0.40 8.00 8.00 -1.26 -4.77 116.55 132.26 2k0y n ASP 25 Ca 0.00 -3.59 0.12 0.00 0.71 0.00 0.00 54.79 52.02 2k0y n ASP 25 Cb 0.00 -0.49 0.50 0.00 -0.02 0.00 0.00 41.12 41.11 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 -0.97 1.21 -4.71 0.64 7.99 -0.49 -4.82 117.00 115.84 2k0y n LEU 26 Ca 0.17 -0.47 -0.42 0.00 -0.01 0.00 0.00 56.01 55.28 2k0y n LEU 26 Cb 0.73 -0.05 -0.03 0.00 -0.11 0.00 0.00 43.42 43.96 2k0y n LEU 26 CO -0.03 0.23 0.93 -0.55 -1.51 0.00 0.00 177.39 176.46 2k0y s SER 27 N -1.74 7.01 0.00 -1.43 0.15 -1.26 -4.70 113.70 111.74 2k0y s SER 27 Ca 0.35 2.10 0.00 0.00 0.70 0.00 0.00 55.95 59.10 2k0y s SER 27 Cb 0.18 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2k0y s SER 27 CO 0.29 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2k0y n GLY 28 N 3.27 -1.81 3.84 9.45 0.00 -1.26 -4.89 105.19 113.80 2k0y n GLY 28 Ca 0.10 -1.84 -0.37 0.00 0.00 0.00 0.00 46.02 43.91 2k0y n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k0y s ASP 29 N -4.00 6.78 -0.02 1.61 -1.08 -1.26 -4.94 116.67 113.76 2k0y s ASP 29 Ca 0.00 0.96 0.03 0.00 -0.52 0.00 0.00 52.55 53.01 2k0y s ASP 29 Cb 0.00 -2.24 0.04 0.00 -1.46 0.00 0.00 42.92 39.26 2k0y s ASP 29 CO 0.00 0.24 0.85 2.22 0.52 0.00 0.00 175.17 179.00 2k0y n PHE 30 N 1.37 0.00 0.13 -5.34 -1.74 -1.26 -4.89 117.46 105.72 2k0y n PHE 30 Ca -0.10 -0.19 0.19 0.00 -0.56 0.00 0.00 57.45 56.79 2k0y n PHE 30 Cb 0.52 -0.05 0.75 0.00 1.52 0.00 0.00 39.48 42.22 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 0.00 0.00 0.00 5.98 3.38 -1.95 0.12 115.31 122.84 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 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2k0y h LEU 31 CO 0.00 0.00 -0.93 0.47 0.09 0.00 0.00 178.44 178.07 2k0y n ASP 32 N -3.58 0.68 -4.65 -0.43 9.92 -1.26 -3.58 116.55 113.65 2k0y n ASP 32 Ca 0.06 -0.46 -0.43 0.00 -0.53 0.00 0.00 54.79 53.43 2k0y n ASP 32 Cb 0.59 0.78 -0.03 0.00 -0.64 0.00 0.00 41.12 41.82 2k0y n ASP 32 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2k0y s LEU 33 N -3.43 4.09 0.30 0.64 1.02 0.41 -4.98 118.68 116.73 2k0y s LEU 33 Ca 0.06 1.28 -0.28 0.00 0.02 0.00 0.00 54.13 55.21 2k0y s LEU 33 Cb 0.16 -3.46 -0.09 0.00 0.02 0.00 0.00 46.19 42.82 2k0y s LEU 33 CO 0.80 -0.65 1.04 -0.13 0.02 0.00 0.00 176.35 177.44 2k0y s ARG 34 N 3.14 4.59 0.31 1.70 3.00 -1.26 -4.33 118.95 126.10 2k0y s ARG 34 Ca 0.42 1.63 0.01 0.00 0.00 0.00 0.00 55.73 57.79 2k0y s ARG 34 Cb -0.15 -3.05 0.53 0.00 0.00 0.00 0.00 34.95 32.29 2k0y s ARG 34 CO 0.07 0.22 1.95 0.74 0.00 0.00 0.00 175.30 178.27 2k0y h PHE 35 N 3.58 0.99 -0.66 -0.53 0.04 -1.61 -0.40 116.94 118.34 2k0y h PHE 35 Ca -0.47 0.02 0.12 0.00 2.80 0.00 0.00 57.97 60.45 2k0y h PHE 35 Cb 1.21 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 38.99 2k0y h PHE 35 CO 0.59 0.57 0.44 1.49 -0.60 0.00 0.00 178.31 180.80 2k0y h GLU 36 N 1.01 0.39 0.04 1.51 4.57 -1.83 0.85 114.58 121.13 2k0y h GLU 36 Ca 0.33 -0.02 -0.25 0.00 -1.18 0.00 0.00 59.36 58.24 2k0y h GLU 36 Cb 0.06 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 2k0y h GLU 36 CO -0.10 0.26 -1.26 0.22 -1.18 0.00 0.00 179.01 176.95 2k0y h ASP 37 N 0.40 0.13 -0.45 1.04 1.82 -1.42 -3.27 116.42 114.67 2k0y h ASP 37 Ca 0.31 -0.16 -0.09 0.00 -0.39 0.00 0.00 57.03 56.71 2k0y h ASP 37 Cb 0.68 -0.04 -0.05 0.00 0.68 0.00 0.00 39.33 40.60 2k0y h ASP 37 CO -0.09 1.13 0.11 2.30 -1.61 0.00 0.00 179.24 181.08 2k0y n ILE 38 N -3.34 1.99 -2.52 2.25 -5.35 -0.80 -4.87 119.36 106.73 2k0y n ILE 38 Ca -0.07 -1.01 -0.07 0.00 -0.27 0.00 0.00 62.75 61.32 2k0y n ILE 38 Cb 0.99 -0.43 0.01 0.00 -1.74 0.00 0.00 39.64 38.47 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 0.16 0.31 3.37 3.28 0.00 -1.05 -4.79 105.19 106.47 2k0y n GLY 39 Ca 0.24 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.75 3.10 0.32 1.61 1.51 0.23 -5.03 117.35 116.35 2k0y s TYR 40 Ca 0.10 -0.83 -0.21 0.00 -1.01 0.00 0.00 57.07 55.13 2k0y s TYR 40 Cb -0.04 -2.23 -0.10 0.00 -0.11 0.00 0.00 41.96 39.48 2k0y s TYR 40 CO 0.12 -0.52 0.85 -0.51 -1.11 0.00 0.00 175.55 174.38 2k0y s ASP 41 N 1.53 7.05 0.39 2.29 1.11 -1.26 -4.01 116.67 123.76 2k0y s ASP 41 Ca 0.04 1.58 0.13 0.00 0.18 0.00 0.00 52.55 54.48 2k0y s ASP 41 Cb -0.16 -2.48 0.95 0.00 1.07 0.00 0.00 42.92 42.30 2k0y s ASP 41 CO 0.02 -0.14 1.87 0.77 1.18 0.00 0.00 175.17 178.87 2k0y h SER 42 N 2.72 0.52 -0.17 0.27 4.64 -1.98 0.15 113.55 119.71 2k0y h SER 42 Ca -0.48 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 60.84 2k0y h SER 42 Cb 1.19 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2k0y h SER 42 CO 0.64 0.24 -0.04 0.25 -0.87 0.00 0.00 176.83 177.05 2k0y h LEU 43 N 0.54 0.32 -1.52 5.97 6.46 -1.98 0.11 115.31 125.22 2k0y h LEU 43 Ca 0.44 -0.37 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 2k0y h LEU 43 Cb 0.91 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.73 2k0y h LEU 43 CO -0.19 0.62 0.14 0.00 -0.62 0.00 0.00 178.44 178.39 2k0y h ALA 44 N 0.72 1.63 0.11 1.25 0.00 -1.68 0.27 119.26 121.55 2k0y h ALA 44 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2k0y h ALA 44 Cb 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k0y h ALA 44 CO 0.02 0.30 -0.05 1.25 0.00 0.00 0.00 179.25 180.76 2k0y h LEU 45 N 0.46 -0.12 -1.55 0.00 5.85 -0.43 -1.89 115.31 117.64 2k0y h LEU 45 Ca 0.12 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2k0y h LEU 45 Cb 0.09 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2k0y h LEU 45 CO -0.01 0.09 -0.15 0.24 -0.34 0.00 0.00 178.44 178.26 2k0y h MET 46 N -0.33 0.10 -0.75 1.25 2.86 -0.07 -1.58 114.93 116.42 2k0y h MET 46 Ca -0.01 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2k0y h MET 46 Cb 0.27 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 2k0y h MET 46 CO 0.02 0.26 0.44 1.49 1.06 0.00 0.00 176.91 180.18 2k0y h GLU 47 N 0.10 1.02 0.44 1.72 4.57 -0.26 0.47 114.58 122.63 2k0y h GLU 47 Ca 0.02 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 2k0y h GLU 47 Cb 0.33 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2k0y h GLU 47 CO 0.02 0.73 -0.21 1.15 -1.18 0.00 0.00 179.01 179.52 2k0y h THR 48 N 1.03 0.43 -0.67 0.32 2.02 -0.49 -1.88 112.91 113.67 2k0y h THR 48 Ca 0.27 -0.52 0.09 0.00 0.77 0.00 0.00 66.41 67.02 2k0y h THR 48 Cb -0.02 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 2k0y h THR 48 CO -0.05 0.07 0.44 0.00 0.37 0.00 0.00 175.52 176.36 2k0y h ALA 49 N -0.62 1.87 -0.82 6.16 0.00 -1.17 -1.34 119.26 123.34 2k0y h ALA 49 Ca -0.06 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2k0y h ALA 49 Cb 0.57 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2k0y h ALA 49 CO 0.10 -0.01 0.53 0.00 0.00 0.00 0.00 179.25 179.88 2k0y h ALA 50 N 1.65 1.07 -0.56 0.00 0.00 0.25 0.25 119.26 121.93 2k0y h ALA 50 Ca 0.30 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2k0y h ALA 50 Cb 0.44 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2k0y h ALA 50 CO -0.10 0.39 0.12 0.00 0.00 0.00 0.00 179.25 179.66 2k0y h ARG 51 N 1.06 0.91 -0.75 0.00 3.08 -0.45 -1.55 114.38 116.68 2k0y h ARG 51 Ca 0.32 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2k0y h ARG 51 Cb -0.04 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.86 2k0y h ARG 51 CO -0.10 0.86 0.40 -0.07 -1.07 0.00 0.00 179.97 180.00 2k0y h LEU 52 N 0.81 0.95 0.41 3.04 3.38 -0.59 0.44 115.31 123.75 2k0y h LEU 52 Ca 0.17 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2k0y h LEU 52 Cb 0.38 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2k0y h LEU 52 CO 0.01 0.78 -0.33 -0.33 0.09 0.00 0.00 178.44 178.65 2k0y h GLU 53 N 1.04 -0.72 0.06 1.13 5.08 -0.32 -0.70 114.58 120.14 2k0y h GLU 53 Ca 0.26 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2k0y h GLU 53 Cb 0.05 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2k0y h GLU 53 CO -0.04 -0.48 -0.03 1.03 -1.00 0.00 0.00 179.01 178.49 2k0y h SER 54 N -0.75 -0.07 -0.46 1.42 0.87 -0.87 0.66 113.55 114.35 2k0y h SER 54 Ca -0.04 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 2k0y h SER 54 Cb 0.65 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 2k0y h SER 54 CO -0.01 0.09 0.18 -0.09 -0.53 0.00 0.00 176.83 176.46 2k0y h ARG 55 N -0.22 0.69 0.00 2.24 2.43 -0.12 -3.16 114.38 116.24 2k0y h ARG 55 Ca -0.01 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2k0y h ARG 55 Cb 0.19 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2k0y h ARG 55 CO 0.01 0.63 -1.07 0.66 -1.51 0.00 0.00 179.97 178.69 2k0y n TYR 56 N -4.59 0.07 -1.56 2.20 4.01 -0.27 -4.98 117.16 112.04 2k0y n TYR 56 Ca 0.01 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2k0y n TYR 56 Cb 0.15 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 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 1.43 0.76 3.27 2.72 0.00 -0.15 -4.65 105.19 108.57 2k0y n GLY 57 Ca 0.03 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.51 2k0y n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k0y s VAL 58 N -2.91 0.03 -0.03 1.61 0.11 0.04 -5.04 120.40 114.21 2k0y s VAL 58 Ca 0.00 -2.00 -0.02 0.00 -2.93 0.00 0.00 61.98 57.03 2k0y s VAL 58 Cb 0.00 -2.50 0.02 0.00 -1.53 0.00 0.00 36.38 32.37 2k0y s VAL 58 CO 0.00 0.00 0.08 -0.55 -3.33 0.00 0.00 175.10 171.30 2k0y s SER 59 N -3.32 -0.06 -0.11 3.54 0.15 -1.26 -4.37 113.70 108.27 2k0y s SER 59 Ca 0.40 0.16 0.02 0.00 0.70 0.00 0.00 55.95 57.23 2k0y s SER 59 Cb 0.04 0.12 0.01 0.00 -1.71 0.00 0.00 66.02 64.48 2k0y s SER 59 CO 0.22 -0.07 -0.17 -0.63 1.20 0.00 0.00 173.24 173.79 2k0y s ILE 60 N 0.45 1.62 0.23 6.45 1.01 -1.26 -5.07 121.20 124.62 2k0y s ILE 60 Ca -0.03 -0.73 -0.32 0.00 0.00 0.00 0.00 60.65 59.57 2k0y s ILE 60 Cb -0.05 -1.45 -0.12 0.00 0.01 0.00 0.00 42.46 40.84 2k0y s ILE 60 CO -0.02 0.46 1.67 -2.65 0.00 0.00 0.00 174.94 174.40 2k0y n PRO 61 N 4.04 2.67 -0.34 2.79 -0.02 -1.26 -4.86 135.00 138.02 2k0y n PRO 61 Ca -0.20 0.96 0.08 0.00 -2.02 0.00 0.00 63.50 62.33 2k0y n PRO 61 Cb 0.52 -2.78 0.25 0.00 -0.02 0.00 0.00 33.50 31.47 2k0y n PRO 61 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2k0y h ASP 62 N 6.10 0.80 -0.56 2.55 5.19 -1.99 0.10 116.42 128.61 2k0y h ASP 62 Ca -0.44 0.07 -0.09 0.00 -0.62 0.00 0.00 57.03 55.95 2k0y h ASP 62 Cb 1.21 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.62 2k0y h ASP 62 CO 0.90 0.37 -0.01 -0.78 -3.12 0.00 0.00 179.24 176.61 2k0y h ASP 63 N 0.85 0.97 -0.21 6.45 3.58 -1.97 -2.29 116.42 123.80 2k0y h ASP 63 Ca 0.51 -0.31 -0.21 0.00 0.42 0.00 0.00 57.03 57.44 2k0y h ASP 63 Cb 0.63 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.42 2k0y h ASP 63 CO -0.31 1.05 -0.69 0.58 -2.88 0.00 0.00 179.24 176.98 2k0y h VAL 64 N 0.87 1.27 -0.35 2.25 2.07 -1.68 -1.59 116.25 119.10 2k0y h VAL 64 Ca 0.16 -1.88 0.07 0.00 0.82 0.00 0.00 66.70 65.87 2k0y h VAL 64 Cb 0.55 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2k0y h VAL 64 CO 0.03 0.60 0.24 0.00 0.02 0.00 0.00 177.57 178.47 2k0y h ALA 65 N 0.60 2.13 -0.46 1.67 0.00 -0.84 -0.97 119.26 121.39 2k0y h ALA 65 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k0y h ALA 65 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2k0y h ALA 65 CO 0.15 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.60 2k0y n GLY 66 N -1.56 2.84 0.04 0.00 0.00 -0.88 -4.37 105.19 101.26 2k0y n GLY 66 Ca 0.05 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 0.73 0.64 -2.60 1.61 3.00 -0.38 -4.88 116.66 114.78 2k0y n ARG 67 Ca 0.17 -0.11 -0.43 0.00 -0.00 0.00 0.00 57.85 57.48 2k0y n ARG 67 Cb 0.56 -1.61 -0.02 0.00 0.00 0.00 0.00 32.46 31.39 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 -3.48 4.48 -0.17 5.15 -7.23 -1.17 -4.87 120.40 113.12 2k0y s VAL 68 Ca -0.06 1.72 -0.01 0.00 -1.81 0.00 0.00 61.98 61.82 2k0y s VAL 68 Cb 0.13 -4.34 -0.22 0.00 0.56 0.00 0.00 36.38 32.50 2k0y s VAL 68 CO 0.88 -0.41 0.14 0.47 -0.31 0.00 0.00 175.10 175.87 2k0y n ASP 69 N 6.85 1.92 -4.71 4.85 8.00 -1.26 -4.83 116.55 127.37 2k0y n ASP 69 Ca 0.12 0.08 -0.35 0.00 0.71 0.00 0.00 54.79 55.35 2k0y n ASP 69 Cb 0.47 -0.57 -0.09 0.00 -0.02 0.00 0.00 41.12 40.91 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 -2.54 4.68 0.40 -3.53 -4.23 -1.26 -1.58 115.64 107.58 2k0y s THR 70 Ca -0.26 -0.10 0.15 0.00 -1.18 0.00 0.00 61.69 60.31 2k0y s THR 70 Cb 0.08 -3.03 0.37 0.00 1.34 0.00 0.00 72.50 71.25 2k0y s THR 70 CO 0.71 0.57 1.85 -0.65 -0.54 0.00 0.00 174.62 176.56 2k0y h PRO 71 N 5.59 0.46 -0.83 3.99 0.11 -1.75 -1.29 132.00 138.28 2k0y h PRO 71 Ca -0.47 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.73 2k0y h PRO 71 Cb 1.19 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 2k0y h PRO 71 CO 0.60 0.30 0.44 0.07 -0.21 0.00 0.00 178.00 179.20 2k0y h ARG 72 N 0.47 0.66 -0.27 1.05 0.11 -1.92 0.28 114.38 114.76 2k0y h ARG 72 Ca 0.48 -0.04 -0.03 0.00 0.10 0.00 0.00 59.98 60.49 2k0y h ARG 72 Cb 1.09 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 32.01 2k0y h ARG 72 CO -0.20 0.43 0.05 0.93 0.10 0.00 0.00 179.97 181.28 2k0y h GLU 73 N 0.67 0.45 -0.08 0.08 4.39 -1.59 -0.15 114.58 118.36 2k0y h GLU 73 Ca 0.43 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 2k0y h GLU 73 Cb 0.53 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2k0y h GLU 73 CO -0.32 0.56 0.00 1.25 -1.16 0.00 0.00 179.01 179.35 2k0y h LEU 74 N 0.27 0.13 0.25 1.33 7.12 -1.33 -1.66 115.31 121.42 2k0y h LEU 74 Ca 0.08 -0.29 0.00 0.00 0.13 0.00 0.00 57.88 57.80 2k0y h LEU 74 Cb 0.33 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.40 2k0y h LEU 74 CO 0.00 0.39 -0.25 0.25 -0.13 0.00 0.00 178.44 178.71 2k0y h LEU 75 N -0.13 -0.68 -0.76 2.25 5.85 -0.40 -1.96 115.31 119.48 2k0y h LEU 75 Ca 0.02 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2k0y h LEU 75 Cb 0.32 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 2k0y h LEU 75 CO 0.00 -0.37 0.31 -0.78 -0.34 0.00 0.00 178.44 177.27 2k0y h ASP 76 N -0.53 1.05 -0.13 1.25 3.58 -0.99 0.22 116.42 120.86 2k0y h ASP 76 Ca -0.00 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.28 2k0y h ASP 76 Cb 0.50 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2k0y h ASP 76 CO -0.06 0.93 0.07 0.25 -2.88 0.00 0.00 179.24 177.55 2k0y h LEU 77 N 1.10 0.15 -0.91 2.28 7.12 -1.21 -0.92 115.31 122.93 2k0y h LEU 77 Ca 0.26 -0.06 -0.10 0.00 0.13 0.00 0.00 57.88 58.10 2k0y h LEU 77 Cb 0.20 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.28 2k0y h LEU 77 CO -0.02 0.17 -0.23 0.40 -0.13 0.00 0.00 178.44 178.63 2k0y h ILE 78 N 0.12 1.26 -0.71 4.05 2.04 -0.92 -2.16 117.51 121.20 2k0y h ILE 78 Ca 0.04 -1.25 0.05 0.00 1.00 0.00 0.00 64.86 64.71 2k0y h ILE 78 Cb 0.05 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 2k0y h ILE 78 CO -0.01 0.40 0.42 0.78 0.00 0.00 0.00 178.15 179.74 2k0y h ASN 79 N 0.48 0.65 -0.71 1.72 -0.26 -0.12 0.25 115.58 117.60 2k0y h ASN 79 Ca 0.07 0.02 -0.07 0.00 -0.56 0.00 0.00 56.30 55.76 2k0y h ASN 79 Cb 0.66 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.77 2k0y h ASN 79 CO 0.05 0.43 0.18 1.23 -1.06 0.00 0.00 177.43 178.26 2k0y h GLY 80 N 0.78 1.22 1.01 2.83 0.00 -0.67 -0.15 103.07 108.08 2k0y h GLY 80 Ca 0.30 -0.75 -0.14 0.00 0.00 0.00 0.00 47.33 46.74 2k0y h GLY 80 CO -0.16 0.70 -0.37 0.00 0.00 0.00 0.00 176.54 176.71 2k0y h ALA 81 N 1.09 0.42 -0.09 3.60 0.00 -0.79 -3.15 119.26 120.34 2k0y h ALA 81 Ca 0.22 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2k0y h ALA 81 Cb 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2k0y h ALA 81 CO 0.00 0.50 -0.27 -0.07 0.00 0.00 0.00 179.25 179.41 2k0y h LEU 82 N 0.48 0.15 -2.44 0.00 3.38 -0.31 -2.69 115.31 113.88 2k0y h LEU 82 Ca 0.03 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k0y h LEU 82 Cb 0.96 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2k0y h LEU 82 CO 0.09 0.43 -0.02 0.00 0.09 0.00 0.00 178.44 179.03 2k0y h ALA 83 N 1.58 1.42 -0.00 1.53 0.00 -0.98 -0.03 119.26 122.78 2k0y h ALA 83 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k0y h ALA 83 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2k0y h ALA 83 CO 0.04 0.02 -0.02 0.39 0.00 0.00 0.00 179.25 179.69 2k0y n GLU 84 N -3.71 0.73 0.00 0.00 -0.58 -1.01 -3.07 120.64 113.00 2k0y n GLU 84 Ca -0.03 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 2k0y n GLU 84 Cb 0.11 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 2k0y n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k0y n ALA 85 N -1.07 1.46 1.96 0.62 0.00 -0.11 -5.08 120.51 118.29 2k0y n ALA 85 Ca 0.18 -0.71 0.16 0.00 0.00 0.00 0.00 53.44 53.07 2k0y n ALA 85 Cb 0.20 0.00 0.92 0.00 0.00 0.00 0.00 19.45 20.57 2k0y n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50