#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0y n ALA 2 N 0.00 4.04 -2.83 3.04 0.00 -1.26 -4.94 120.51 118.56 2k0y n ALA 2 Ca 0.00 -4.35 -0.38 0.00 0.00 0.00 0.00 53.44 48.71 2k0y n ALA 2 Cb 0.00 -2.91 -0.12 0.00 0.00 0.00 0.00 19.45 16.42 2k0y n ALA 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k0y s THR 3 N 0.82 4.73 0.53 0.00 2.01 -1.26 -5.08 115.64 117.40 2k0y s THR 3 Ca 0.40 -0.21 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 2k0y s THR 3 Cb -0.04 -3.33 -0.07 0.00 0.01 0.00 0.00 72.50 69.07 2k0y s THR 3 CO -0.01 0.17 1.00 -0.76 -0.69 0.00 0.00 174.62 174.33 2k0y s LEU 4 N 1.65 3.58 -0.15 4.42 1.02 -1.26 -5.01 118.68 122.93 2k0y s LEU 4 Ca 0.06 1.58 -0.20 0.00 0.02 0.00 0.00 54.13 55.59 2k0y s LEU 4 Cb -0.16 -4.51 -0.03 0.00 0.02 0.00 0.00 46.19 41.51 2k0y s LEU 4 CO 0.07 -0.67 0.60 -0.76 0.02 0.00 0.00 176.35 175.61 2k0y s LEU 5 N -4.20 4.21 0.00 1.79 1.43 -1.26 -4.99 118.68 115.66 2k0y s LEU 5 Ca 0.59 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 2k0y s LEU 5 Cb -0.11 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.25 2k0y s LEU 5 CO 0.34 -0.17 0.01 0.35 0.23 0.00 0.00 176.35 177.11 2k0y n THR 6 N 4.25 0.00 0.01 5.49 -2.24 -1.26 -4.80 114.28 115.73 2k0y n THR 6 Ca -0.03 -0.03 -0.10 0.00 -2.27 0.00 0.00 64.05 61.62 2k0y n THR 6 Cb 0.51 -1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 67.68 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 0.36 -0.60 4.28 2.02 -1.98 0.69 112.91 117.66 2k0y h THR 7 Ca -0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 2k0y h THR 7 Cb 0.02 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 2k0y h THR 7 CO 0.01 0.00 0.16 -0.78 0.37 0.00 0.00 175.52 175.27 2k0y h ASP 8 N -0.36 0.90 -0.43 4.18 3.58 -1.95 -1.04 116.42 121.30 2k0y h ASP 8 Ca 0.10 -0.23 -0.06 0.00 0.42 0.00 0.00 57.03 57.26 2k0y h ASP 8 Cb 0.50 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2k0y h ASP 8 CO -0.32 0.89 0.05 0.44 -2.88 0.00 0.00 179.24 177.42 2k0y h ASP 9 N 0.86 0.70 -0.37 2.28 3.32 -1.84 -2.38 116.42 118.99 2k0y h ASP 9 Ca 0.19 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 2k0y h ASP 9 Cb 0.33 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2k0y h ASP 9 CO -0.00 0.80 0.04 0.25 -1.72 0.00 0.00 179.24 178.61 2k0y h LEU 10 N 0.58 0.60 -0.73 1.55 5.85 -0.77 -2.90 115.31 119.48 2k0y h LEU 10 Ca 0.13 -0.28 0.13 0.00 0.84 0.00 0.00 57.88 58.70 2k0y h LEU 10 Cb 0.41 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.19 2k0y h LEU 10 CO 0.01 0.73 0.31 -0.09 -0.34 0.00 0.00 178.44 179.06 2k0y h ARG 11 N 0.45 0.46 -1.00 1.25 2.43 -0.93 -0.58 114.38 116.46 2k0y h ARG 11 Ca 0.11 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.34 2k0y h ARG 11 Cb 0.40 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.77 2k0y h ARG 11 CO 0.01 0.30 0.64 -0.09 -1.51 0.00 0.00 179.97 179.33 2k0y h ARG 12 N 0.47 1.08 -0.65 0.20 2.43 -1.23 -1.26 114.38 115.44 2k0y h ARG 12 Ca 0.39 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.47 2k0y h ARG 12 Cb 0.55 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 2k0y h ARG 12 CO -0.37 0.72 0.29 0.00 -1.51 0.00 0.00 179.97 179.09 2k0y h ALA 13 N 1.48 1.29 -0.25 2.80 0.00 -1.06 0.22 119.26 123.73 2k0y h ALA 13 Ca 0.46 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 2k0y h ALA 13 Cb 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2k0y h ALA 13 CO -0.20 0.54 -0.20 -0.07 0.00 0.00 0.00 179.25 179.31 2k0y h LEU 14 N 0.92 0.45 -0.69 0.00 -0.00 -1.07 -2.55 115.31 112.37 2k0y h LEU 14 Ca 0.22 -0.14 -0.13 0.00 -0.00 0.00 0.00 57.88 57.83 2k0y h LEU 14 Cb 0.13 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 2k0y h LEU 14 CO -0.02 0.67 -0.64 0.58 -0.00 0.00 0.00 178.44 179.02 2k0y h VAL 15 N 0.42 1.44 0.30 1.22 2.07 -0.12 -0.49 116.25 121.08 2k0y h VAL 15 Ca 0.07 -2.22 -0.01 0.00 0.82 0.00 0.00 66.70 65.36 2k0y h VAL 15 Cb 0.59 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2k0y h VAL 15 CO 0.04 0.63 -0.14 -0.33 0.02 0.00 0.00 177.57 177.79 2k0y h GLU 16 N 0.00 -0.39 -0.00 1.57 4.39 -0.29 -1.90 114.58 117.97 2k0y h GLU 16 Ca -0.01 0.03 -0.19 0.00 0.34 0.00 0.00 59.36 59.53 2k0y h GLU 16 Cb 1.15 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 2k0y h GLU 16 CO 0.08 -0.22 -0.85 0.66 -1.16 0.00 0.00 179.01 177.53 2k0y h SER 17 N -0.46 0.22 -0.33 1.42 4.64 -1.47 -3.08 113.55 114.49 2k0y h SER 17 Ca -0.04 -0.17 -0.13 0.00 -0.47 0.00 0.00 61.79 60.97 2k0y h SER 17 Cb 0.35 -0.07 -0.08 0.00 -0.31 0.00 0.00 62.40 62.29 2k0y h SER 17 CO 0.07 0.97 0.17 0.00 -0.87 0.00 0.00 176.83 177.16 2k0y n ALA 18 N -2.45 3.47 0.94 5.18 0.00 -0.20 -3.04 120.51 124.41 2k0y n ALA 18 Ca -0.03 -0.98 0.10 0.00 0.00 0.00 0.00 53.44 52.53 2k0y n ALA 18 Cb 0.79 -1.13 -0.08 0.00 0.00 0.00 0.00 19.45 19.03 2k0y n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k0y n GLY 19 N -0.00 -0.62 3.00 0.00 0.00 -0.72 -4.02 105.19 102.82 2k0y n GLY 19 Ca 0.19 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.73 2.24 0.11 1.61 2.02 -1.17 -4.94 118.70 115.84 2k0y s GLU 20 Ca 0.10 -2.66 0.00 0.00 0.02 0.00 0.00 54.97 52.43 2k0y s GLU 20 Cb 0.16 -3.48 0.00 0.00 0.10 0.00 0.00 34.13 30.91 2k0y s GLU 20 CO 0.74 -1.15 0.00 2.41 0.02 0.00 0.00 175.26 177.28 2k0y n THR 21 N 3.13 -5.52 -0.16 3.63 -1.04 -1.26 -5.05 114.28 108.02 2k0y n THR 21 Ca 0.07 1.30 0.02 0.00 -2.04 0.00 0.00 64.05 63.41 2k0y n THR 21 Cb 0.34 -2.98 -0.01 0.00 -1.82 0.00 0.00 70.33 65.86 2k0y n THR 21 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2k0y n ASP 22 N 0.50 -0.94 0.00 8.00 8.00 -1.26 -4.81 116.55 126.04 2k0y n ASP 22 Ca 0.00 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.60 2k0y n ASP 22 Cb 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 2k0y n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0y n GLY 23 N -2.43 -1.84 3.68 0.44 0.00 -1.26 -4.44 105.19 99.33 2k0y n GLY 23 Ca -0.00 0.80 -0.44 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 0.52 -1.76 2.61 -1.04 -1.26 -4.89 114.28 108.46 2k0y n THR 24 Ca 0.00 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.05 61.50 2k0y n THR 24 Cb 0.00 -2.08 -0.03 0.00 -1.82 0.00 0.00 70.33 66.40 2k0y n THR 24 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k0y s ASP 25 N 3.46 5.49 -0.13 8.00 2.15 -1.26 -4.79 116.67 129.59 2k0y s ASP 25 Ca 0.87 1.54 0.16 0.00 0.43 0.00 0.00 52.55 55.54 2k0y s ASP 25 Cb -0.53 -2.52 0.35 0.00 -0.30 0.00 0.00 42.92 39.92 2k0y s ASP 25 CO 0.42 -1.99 1.24 -0.11 -0.17 0.00 0.00 175.17 174.56 2k0y n LEU 26 N 11.70 2.89 -4.76 -1.34 7.94 -1.26 -5.03 117.00 127.15 2k0y n LEU 26 Ca 0.28 -2.92 -0.41 0.00 -1.11 0.00 0.00 56.01 51.84 2k0y n LEU 26 Cb 0.47 -0.43 -0.01 0.00 0.53 0.00 0.00 43.42 43.98 2k0y n LEU 26 CO 0.68 0.68 1.13 -0.94 -1.11 0.00 0.00 177.39 177.83 2k0y s SER 27 N -2.30 6.49 0.00 1.96 1.04 -1.26 -4.70 113.70 114.92 2k0y s SER 27 Ca 0.33 2.89 0.00 0.00 0.48 0.00 0.00 55.95 59.64 2k0y s SER 27 Cb 0.27 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2k0y s SER 27 CO 0.05 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.10 2k0y n GLY 28 N 1.27 -1.53 3.50 7.32 0.00 -1.26 -4.83 105.19 109.65 2k0y n GLY 28 Ca 0.04 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 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 6.29 -0.05 1.61 2.15 -1.26 -4.86 116.67 116.55 2k0y s ASP 29 Ca 0.00 -0.54 0.11 0.00 0.43 0.00 0.00 52.55 52.54 2k0y s ASP 29 Cb 0.00 -2.41 0.30 0.00 -0.30 0.00 0.00 42.92 40.51 2k0y s ASP 29 CO 0.00 -1.20 1.24 2.22 -0.17 0.00 0.00 175.17 177.26 2k0y n PHE 30 N 7.27 0.45 0.09 -5.34 -1.74 -1.26 -4.74 117.46 112.19 2k0y n PHE 30 Ca -0.01 -0.63 0.20 0.00 -0.56 0.00 0.00 57.45 56.46 2k0y n PHE 30 Cb 0.47 -0.11 0.73 0.00 1.52 0.00 0.00 39.48 42.09 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 1.44 0.00 0.00 5.98 3.38 -1.93 0.73 115.31 124.91 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 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2k0y h LEU 31 CO 0.05 0.00 -1.01 -0.67 0.09 0.00 0.00 178.44 176.90 2k0y n ASP 32 N -3.61 0.96 -4.66 -0.43 2.03 -1.26 -2.67 116.55 106.92 2k0y n ASP 32 Ca 0.07 -0.97 -0.43 0.00 0.52 0.00 0.00 54.79 53.99 2k0y n ASP 32 Cb 0.66 1.03 -0.02 0.00 -0.72 0.00 0.00 41.12 42.06 2k0y n ASP 32 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2k0y s LEU 33 N -3.03 4.09 0.51 -2.67 1.43 0.25 -4.94 118.68 114.32 2k0y s LEU 33 Ca 0.08 1.36 -0.19 0.00 -1.03 0.00 0.00 54.13 54.35 2k0y s LEU 33 Cb 0.16 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.76 2k0y s LEU 33 CO 0.86 -0.68 1.04 -0.13 0.23 0.00 0.00 176.35 177.67 2k0y s ARG 34 N 3.23 3.70 0.21 1.70 3.00 -1.26 -4.29 118.95 125.24 2k0y s ARG 34 Ca 0.44 1.32 -0.04 0.00 0.00 0.00 0.00 55.73 57.46 2k0y s ARG 34 Cb -0.15 -2.08 0.18 0.00 0.00 0.00 0.00 34.95 32.90 2k0y s ARG 34 CO 0.07 -0.51 1.61 0.74 0.00 0.00 0.00 175.30 177.20 2k0y h PHE 35 N 1.31 0.82 -0.20 -0.53 0.04 -1.83 -1.43 116.94 115.10 2k0y h PHE 35 Ca -0.49 -0.21 0.06 0.00 2.80 0.00 0.00 57.97 60.13 2k0y h PHE 35 Cb 1.22 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 2k0y h PHE 35 CO 0.57 0.92 0.15 1.05 -0.60 0.00 0.00 178.31 180.41 2k0y h GLU 36 N 0.60 0.00 0.03 1.51 4.11 -1.85 0.17 114.58 119.15 2k0y h GLU 36 Ca 0.07 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.25 2k0y h GLU 36 Cb 0.81 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 2k0y h GLU 36 CO 0.07 0.00 -1.28 0.22 0.07 0.00 0.00 179.01 178.09 2k0y h ASP 37 N 0.00 0.11 -0.55 3.06 3.58 -1.61 -3.28 116.42 117.73 2k0y h ASP 37 Ca 0.09 -0.14 -0.18 0.00 0.42 0.00 0.00 57.03 57.23 2k0y h ASP 37 Cb 0.40 -0.03 -0.11 0.00 1.72 0.00 0.00 39.33 41.31 2k0y h ASP 37 CO -0.00 1.11 0.23 2.30 -2.88 0.00 0.00 179.24 180.00 2k0y n ILE 38 N -3.31 2.23 -2.87 2.25 -5.35 -0.67 -4.86 119.36 106.76 2k0y n ILE 38 Ca -0.08 -1.15 -0.15 0.00 -0.27 0.00 0.00 62.75 61.10 2k0y n ILE 38 Cb 0.99 -0.49 0.03 0.00 -1.74 0.00 0.00 39.64 38.43 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 -0.10 -0.11 3.27 3.28 0.00 -1.07 -4.71 105.19 105.75 2k0y n GLY 39 Ca 0.30 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.02 2.88 0.26 1.61 1.51 0.53 -5.02 117.35 116.09 2k0y s TYR 40 Ca 0.25 -1.06 -0.14 0.00 -1.01 0.00 0.00 57.07 55.11 2k0y s TYR 40 Cb -0.11 -2.00 -0.08 0.00 -0.11 0.00 0.00 41.96 39.66 2k0y s TYR 40 CO 0.30 -0.54 0.66 -0.51 -1.11 0.00 0.00 175.55 174.35 2k0y s ASP 41 N 1.19 6.77 0.43 2.29 1.01 -1.26 -3.58 116.67 123.51 2k0y s ASP 41 Ca 0.02 1.17 0.16 0.00 0.71 0.00 0.00 52.55 54.61 2k0y s ASP 41 Cb -0.14 -2.33 1.06 0.00 1.01 0.00 0.00 42.92 42.52 2k0y s ASP 41 CO -0.04 -0.10 1.93 0.77 0.21 0.00 0.00 175.17 177.94 2k0y h SER 42 N 2.63 0.38 -0.29 0.27 4.64 -1.96 0.28 113.55 119.50 2k0y h SER 42 Ca -0.48 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 60.81 2k0y h SER 42 Cb 1.18 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 2k0y h SER 42 CO 0.66 0.20 -0.01 0.25 -0.87 0.00 0.00 176.83 177.07 2k0y h LEU 43 N 0.40 0.51 -0.93 5.97 6.46 -1.93 0.81 115.31 126.60 2k0y h LEU 43 Ca 0.35 -0.32 -0.07 0.00 -0.12 0.00 0.00 57.88 57.73 2k0y h LEU 43 Cb 0.79 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 2k0y h LEU 43 CO -0.11 0.70 0.07 0.00 -0.62 0.00 0.00 178.44 178.48 2k0y h ALA 44 N 0.82 1.12 -0.77 1.25 0.00 -1.65 -2.70 119.26 117.33 2k0y h ALA 44 Ca 0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2k0y h ALA 44 Cb 0.45 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2k0y h ALA 44 CO 0.02 0.57 0.32 1.25 0.00 0.00 0.00 179.25 181.42 2k0y h LEU 45 N 0.81 1.05 -1.49 0.00 5.85 -0.13 -1.91 115.31 119.48 2k0y h LEU 45 Ca 0.17 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2k0y h LEU 45 Cb 0.39 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2k0y h LEU 45 CO 0.01 0.92 -0.15 0.24 -0.34 0.00 0.00 178.44 179.12 2k0y h MET 46 N 1.12 0.15 -0.31 1.25 2.86 -0.53 -2.10 114.93 117.37 2k0y h MET 46 Ca 0.26 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.81 2k0y h MET 46 Cb 0.18 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2k0y h MET 46 CO -0.02 0.30 -0.05 1.49 1.06 0.00 0.00 176.91 179.69 2k0y h GLU 47 N 0.14 0.49 0.77 1.72 4.81 -1.13 0.64 114.58 122.02 2k0y h GLU 47 Ca 0.03 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 2k0y h GLU 47 Cb 0.36 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.68 2k0y h GLU 47 CO 0.02 0.56 -0.37 1.15 -0.73 0.00 0.00 179.01 179.65 2k0y h THR 48 N 0.47 0.06 -0.89 0.32 2.02 -1.18 -0.72 112.91 112.99 2k0y h THR 48 Ca 0.10 -0.22 0.09 0.00 0.77 0.00 0.00 66.41 67.14 2k0y h THR 48 Cb 0.39 0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 66.82 2k0y h THR 48 CO 0.02 0.01 0.57 0.00 0.37 0.00 0.00 175.52 176.49 2k0y h ALA 49 N -1.18 1.62 -0.29 6.16 0.00 -1.27 -2.28 119.26 122.02 2k0y h ALA 49 Ca -0.11 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2k0y h ALA 49 Cb 0.80 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2k0y h ALA 49 CO 0.17 0.21 0.11 0.00 0.00 0.00 0.00 179.25 179.74 2k0y h ALA 50 N 1.55 0.34 -0.46 0.00 0.00 0.66 0.37 119.26 121.71 2k0y h ALA 50 Ca 0.40 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 2k0y h ALA 50 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2k0y h ALA 50 CO -0.17 -0.29 0.04 0.00 0.00 0.00 0.00 179.25 178.83 2k0y h ARG 51 N 0.24 0.74 -0.32 0.00 3.08 -0.66 -0.31 114.38 117.14 2k0y h ARG 51 Ca 0.13 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 2k0y h ARG 51 Cb 0.09 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2k0y h ARG 51 CO -0.13 0.72 0.06 -0.07 -1.07 0.00 0.00 179.97 179.49 2k0y h LEU 52 N 0.70 0.50 -0.14 3.04 3.38 -0.80 0.12 115.31 122.10 2k0y h LEU 52 Ca 0.15 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.90 2k0y h LEU 52 Cb 0.37 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2k0y h LEU 52 CO 0.01 0.62 -0.07 -0.33 0.09 0.00 0.00 178.44 178.76 2k0y h GLU 53 N 0.36 -0.06 -0.61 1.13 5.08 0.12 0.38 114.58 120.98 2k0y h GLU 53 Ca 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2k0y h GLU 53 Cb 0.33 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 2k0y h GLU 53 CO 0.00 -0.04 0.32 1.03 -1.00 0.00 0.00 179.01 179.33 2k0y h SER 54 N -0.06 0.77 0.17 1.42 0.87 -0.92 0.24 113.55 116.04 2k0y h SER 54 Ca 0.08 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2k0y h SER 54 Cb 0.18 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2k0y h SER 54 CO -0.18 0.65 -0.08 -0.09 -0.53 0.00 0.00 176.83 176.60 2k0y h ARG 55 N 0.83 -0.22 0.00 2.24 2.43 -0.37 -3.34 114.38 115.93 2k0y h ARG 55 Ca 0.21 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2k0y h ARG 55 Cb 0.07 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2k0y h ARG 55 CO -0.03 0.08 -1.14 0.66 -1.51 0.00 0.00 179.97 178.03 2k0y n TYR 56 N -5.06 0.52 -1.94 2.20 4.01 0.09 -4.98 117.16 112.01 2k0y n TYR 56 Ca -0.09 0.15 -0.01 0.00 -0.16 0.00 0.00 57.90 57.79 2k0y n TYR 56 Cb 0.22 -0.67 0.01 0.00 -0.31 0.00 0.00 39.34 38.58 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 1.28 0.52 2.96 2.72 0.00 0.82 -4.92 105.19 108.56 2k0y n GLY 57 Ca 0.00 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.02 0.41 -0.35 1.61 0.11 -1.09 -4.72 120.40 113.35 2k0y s VAL 58 Ca 0.01 -0.27 -0.18 0.00 -2.93 0.00 0.00 61.98 58.61 2k0y s VAL 58 Cb -0.00 -0.36 -0.00 0.00 -1.53 0.00 0.00 36.38 34.49 2k0y s VAL 58 CO 0.04 0.08 0.51 -0.94 -3.33 0.00 0.00 175.10 171.46 2k0y s SER 59 N -0.22 6.31 -0.28 3.54 1.04 -1.26 -4.44 113.70 118.40 2k0y s SER 59 Ca 0.01 -0.02 -0.09 0.00 0.48 0.00 0.00 55.95 56.34 2k0y s SER 59 Cb -0.02 -2.27 -0.02 0.00 0.10 0.00 0.00 66.02 63.81 2k0y s SER 59 CO -0.00 -0.47 0.12 -0.63 0.98 0.00 0.00 173.24 173.25 2k0y s ILE 60 N 2.37 4.59 0.04 -1.02 1.01 -1.26 -5.04 121.20 121.89 2k0y s ILE 60 Ca 0.18 -0.23 -0.32 0.00 0.00 0.00 0.00 60.65 60.28 2k0y s ILE 60 Cb -0.15 -3.24 -0.11 0.00 0.01 0.00 0.00 42.46 38.96 2k0y s ILE 60 CO 0.13 0.20 1.84 -2.65 0.00 0.00 0.00 174.94 174.46 2k0y n PRO 61 N 4.97 2.51 -0.20 2.79 -0.02 -1.26 -4.85 135.00 138.94 2k0y n PRO 61 Ca -0.15 0.91 0.01 0.00 -2.02 0.00 0.00 63.50 62.25 2k0y n PRO 61 Cb 0.50 -2.79 0.10 0.00 -0.02 0.00 0.00 33.50 31.30 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 8.73 -0.18 0.28 2.55 3.32 -1.98 0.26 116.42 129.40 2k0y h ASP 62 Ca -0.47 0.14 -0.12 0.00 0.02 0.00 0.00 57.03 56.59 2k0y h ASP 62 Cb 1.25 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 41.01 2k0y h ASP 62 CO 0.94 -0.08 -0.50 0.44 -1.72 0.00 0.00 179.24 178.33 2k0y h ASP 63 N 0.16 0.27 -0.15 6.45 3.32 -1.99 -1.82 116.42 122.66 2k0y h ASP 63 Ca 0.31 -0.13 -0.20 0.00 0.02 0.00 0.00 57.03 57.03 2k0y h ASP 63 Cb 0.49 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.97 2k0y h ASP 63 CO -0.48 0.72 -0.68 0.58 -1.72 0.00 0.00 179.24 177.67 2k0y h VAL 64 N 0.20 1.30 -0.56 -1.35 2.07 -1.65 -1.46 116.25 114.80 2k0y h VAL 64 Ca 0.01 -1.90 0.07 0.00 0.82 0.00 0.00 66.70 65.70 2k0y h VAL 64 Cb 0.95 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.70 2k0y h VAL 64 CO 0.08 0.60 0.38 0.00 0.02 0.00 0.00 177.57 178.64 2k0y h ALA 65 N 0.54 1.92 0.00 1.67 0.00 -0.21 -1.16 119.26 122.02 2k0y h ALA 65 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k0y h ALA 65 Cb 1.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2k0y h ALA 65 CO 0.14 -0.03 -0.89 0.41 0.00 0.00 0.00 179.25 178.89 2k0y n GLY 66 N -1.50 -1.39 1.17 0.00 0.00 -0.71 -4.10 105.19 98.66 2k0y n GLY 66 Ca 0.08 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.94 2k0y n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k0y n ARG 67 N -2.32 2.57 -2.49 1.61 1.74 -0.53 -4.73 116.66 112.52 2k0y n ARG 67 Ca 0.02 -2.39 -0.43 0.00 -0.77 0.00 0.00 57.85 54.27 2k0y n ARG 67 Cb 0.49 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.40 2k0y n ARG 67 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2k0y s VAL 68 N -1.22 4.21 -0.08 1.55 -7.23 -0.67 -4.86 120.40 112.11 2k0y s VAL 68 Ca 0.41 1.35 0.04 0.00 -1.81 0.00 0.00 61.98 61.96 2k0y s VAL 68 Cb 0.23 -4.28 -0.25 0.00 0.56 0.00 0.00 36.38 32.64 2k0y s VAL 68 CO 0.30 -0.58 0.52 -0.67 -0.31 0.00 0.00 175.10 174.37 2k0y n ASP 69 N 7.59 1.45 -4.40 4.85 2.03 -1.26 -4.81 116.55 121.99 2k0y n ASP 69 Ca 0.14 0.31 -0.31 0.00 0.52 0.00 0.00 54.79 55.45 2k0y n ASP 69 Cb 0.47 -0.43 -0.14 0.00 -0.72 0.00 0.00 41.12 40.30 2k0y n ASP 69 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2k0y s THR 70 N -2.58 2.54 0.54 5.18 -4.23 -1.26 -2.79 115.64 113.04 2k0y s THR 70 Ca -0.13 -1.10 0.25 0.00 -1.18 0.00 0.00 61.69 59.53 2k0y s THR 70 Cb 0.07 -1.99 0.37 0.00 1.34 0.00 0.00 72.50 72.30 2k0y s THR 70 CO 0.80 0.46 2.02 -0.65 -0.54 0.00 0.00 174.62 176.72 2k0y h PRO 71 N 5.01 0.00 -0.39 3.99 0.11 -1.73 -0.73 132.00 138.25 2k0y h PRO 71 Ca -0.46 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.73 2k0y h PRO 71 Cb 1.14 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.17 2k0y h PRO 71 CO 0.47 0.00 -0.19 -0.09 -0.21 0.00 0.00 178.00 177.98 2k0y h ARG 72 N 0.00 -0.12 -0.49 1.05 2.43 -1.84 0.29 114.38 115.71 2k0y h ARG 72 Ca 0.19 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 2k0y h ARG 72 Cb 0.82 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 2k0y h ARG 72 CO -0.00 -0.08 0.04 0.93 -1.51 0.00 0.00 179.97 179.35 2k0y h GLU 73 N -0.12 0.83 -0.35 0.20 5.08 -1.45 -1.25 114.58 117.51 2k0y h GLU 73 Ca 0.19 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2k0y h GLU 73 Cb 0.42 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2k0y h GLU 73 CO -0.47 0.85 -0.02 1.25 -1.00 0.00 0.00 179.01 179.62 2k0y h LEU 74 N 0.70 0.63 0.01 1.33 6.46 -1.20 0.19 115.31 123.42 2k0y h LEU 74 Ca 0.14 -0.32 0.02 0.00 -0.12 0.00 0.00 57.88 57.60 2k0y h LEU 74 Cb 0.45 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 2k0y h LEU 74 CO 0.02 0.80 -0.12 0.25 -0.62 0.00 0.00 178.44 178.76 2k0y h LEU 75 N 0.44 -0.36 -0.61 2.25 5.85 -0.34 -1.72 115.31 120.83 2k0y h LEU 75 Ca 0.10 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.89 2k0y h LEU 75 Cb 0.49 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2k0y h LEU 75 CO 0.02 -0.18 0.39 -0.78 -0.34 0.00 0.00 178.44 177.56 2k0y h ASP 76 N -0.22 0.66 -0.10 1.25 3.58 -1.00 -1.23 116.42 119.36 2k0y h ASP 76 Ca 0.04 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.50 2k0y h ASP 76 Cb 0.27 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2k0y h ASP 76 CO -0.12 0.47 -0.03 0.25 -2.88 0.00 0.00 179.24 176.93 2k0y h LEU 77 N 0.79 -0.11 -0.33 2.28 5.85 -0.30 0.21 115.31 123.70 2k0y h LEU 77 Ca 0.24 0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.82 2k0y h LEU 77 Cb -0.04 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 2k0y h LEU 77 CO -0.07 -0.04 -0.46 0.40 -0.34 0.00 0.00 178.44 177.93 2k0y h ILE 78 N -0.01 1.27 -0.91 4.05 2.04 -1.16 -0.41 117.51 122.38 2k0y h ILE 78 Ca 0.05 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.27 2k0y h ILE 78 Cb 0.08 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 2k0y h ILE 78 CO -0.11 0.54 0.54 0.78 0.00 0.00 0.00 178.15 179.90 2k0y h ASN 79 N 0.69 1.10 -0.30 1.72 2.35 -0.94 0.31 115.58 120.51 2k0y h ASN 79 Ca 0.04 -0.07 -0.18 0.00 -0.55 0.00 0.00 56.30 55.54 2k0y h ASN 79 Cb 1.06 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.15 2k0y h ASN 79 CO 0.11 0.85 -0.50 1.23 -1.65 0.00 0.00 177.43 177.47 2k0y h GLY 80 N 1.27 0.97 0.80 2.83 0.00 -0.41 -2.12 103.07 106.41 2k0y h GLY 80 Ca 0.33 -1.09 -0.09 0.00 0.00 0.00 0.00 47.33 46.48 2k0y h GLY 80 CO -0.06 0.98 -0.24 0.00 0.00 0.00 0.00 176.54 177.22 2k0y h ALA 81 N 0.72 0.25 0.00 3.60 0.00 -0.69 -3.05 119.26 120.09 2k0y h ALA 81 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2k0y h ALA 81 Cb 1.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2k0y h ALA 81 CO 0.11 0.22 0.00 -0.07 0.00 0.00 0.00 179.25 179.52 2k0y h LEU 82 N 0.09 0.00 -1.35 0.00 3.38 -0.45 0.10 115.31 117.08 2k0y h LEU 82 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2k0y h LEU 82 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2k0y h LEU 82 CO 0.06 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 178.44 2k0y h ALA 83 N 2.21 1.47 0.00 1.53 0.00 -1.26 -3.35 119.26 119.86 2k0y h ALA 83 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2k0y h ALA 83 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2k0y h ALA 83 CO 0.00 0.38 -0.19 0.39 0.00 0.00 0.00 179.25 179.82 2k0y n GLU 84 N -4.25 0.14 -2.22 0.00 1.02 -0.48 -4.88 120.64 109.97 2k0y n GLU 84 Ca -0.01 0.24 -0.41 0.00 -0.02 0.00 0.00 57.16 56.97 2k0y n GLU 84 Cb 0.28 -0.94 -0.03 0.00 -0.02 0.00 0.00 31.44 30.73 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 -2.94 2.61 0.00 0.62 0.00 0.24 -5.14 121.76 117.16 2k0y s ALA 85 Ca -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2k0y s ALA 85 Cb 0.01 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 18.97 2k0y s ALA 85 CO 0.08 -3.20 0.00 0.00 0.00 0.00 0.00 175.76 172.64