#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 3.60 -0.49 3.04 0.00 -1.26 -4.99 121.76 121.66 2k0y s ALA 2 Ca 0.00 -0.23 -0.19 0.00 0.00 0.00 0.00 51.96 51.53 2k0y s ALA 2 Cb 0.00 -3.14 0.05 0.00 0.00 0.00 0.00 23.12 20.03 2k0y s ALA 2 CO 0.00 -0.78 0.62 0.99 0.00 0.00 0.00 175.76 176.59 2k0y s THR 3 N 2.46 4.87 0.31 0.00 2.01 -1.26 -5.01 115.64 119.01 2k0y s THR 3 Ca 0.31 -0.34 0.09 0.00 0.31 0.00 0.00 61.69 62.06 2k0y s THR 3 Cb -0.16 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 2k0y s THR 3 CO 0.09 -0.74 0.03 -0.22 -0.69 0.00 0.00 174.62 173.09 2k0y s LEU 4 N 2.66 3.13 -0.20 4.42 2.96 -1.26 -4.95 118.68 125.44 2k0y s LEU 4 Ca 0.17 -0.79 -0.19 0.00 -0.22 0.00 0.00 54.13 53.10 2k0y s LEU 4 Cb -0.18 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 2k0y s LEU 4 CO 0.14 -0.15 0.52 -0.76 -1.32 0.00 0.00 176.35 174.78 2k0y s LEU 5 N -3.73 4.15 0.00 -0.68 1.43 -1.26 -4.99 118.68 113.61 2k0y s LEU 5 Ca 0.34 0.69 0.05 0.00 -1.03 0.00 0.00 54.13 54.18 2k0y s LEU 5 Cb -0.03 -2.72 0.09 0.00 0.03 0.00 0.00 46.19 43.56 2k0y s LEU 5 CO 0.20 -0.18 0.70 0.35 0.23 0.00 0.00 176.35 177.65 2k0y n THR 6 N 4.53 0.00 -0.31 5.49 -2.24 -1.26 -4.91 114.28 115.59 2k0y n THR 6 Ca -0.05 -1.46 -0.01 0.00 -2.27 0.00 0.00 64.05 60.26 2k0y n THR 6 Cb 0.50 -0.73 0.12 0.00 -2.10 0.00 0.00 70.33 68.12 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 -0.13 1.11 -0.46 4.28 2.02 -1.98 -0.84 112.91 116.91 2k0y h THR 7 Ca -0.23 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.53 2k0y h THR 7 Cb 1.00 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2k0y h THR 7 CO 0.30 0.19 0.06 0.44 0.37 0.00 0.00 175.52 176.88 2k0y h ASP 8 N 1.03 0.75 -0.66 4.18 3.32 -1.94 0.79 116.42 123.89 2k0y h ASP 8 Ca 0.35 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 2k0y h ASP 8 Cb 0.06 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2k0y h ASP 8 CO -0.13 0.83 0.13 0.44 -1.72 0.00 0.00 179.24 178.79 2k0y h ASP 9 N 0.64 1.05 0.47 6.45 3.32 -1.86 -2.16 116.42 124.32 2k0y h ASP 9 Ca 0.14 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 2k0y h ASP 9 Cb 0.41 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2k0y h ASP 9 CO 0.01 1.03 -0.22 0.25 -1.72 0.00 0.00 179.24 178.59 2k0y h LEU 10 N 1.03 -0.53 -0.63 1.55 5.85 -0.94 -2.89 115.31 118.75 2k0y h LEU 10 Ca 0.21 -0.08 0.13 0.00 0.84 0.00 0.00 57.88 58.98 2k0y h LEU 10 Cb 0.42 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.48 2k0y h LEU 10 CO 0.01 -0.19 0.01 -0.09 -0.34 0.00 0.00 178.44 177.84 2k0y h ARG 11 N -0.90 0.12 -0.49 1.25 2.43 -0.77 -0.95 114.38 115.08 2k0y h ARG 11 Ca -0.06 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2k0y h ARG 11 Cb 0.58 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 2k0y h ARG 11 CO 0.11 0.08 0.22 -0.09 -1.51 0.00 0.00 179.97 178.78 2k0y h ARG 12 N 0.13 0.43 -0.40 0.20 2.43 -1.40 -2.20 114.38 113.57 2k0y h ARG 12 Ca 0.33 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.45 2k0y h ARG 12 Cb 0.55 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2k0y h ARG 12 CO -0.54 0.28 0.12 0.00 -1.51 0.00 0.00 179.97 178.33 2k0y h ALA 13 N 1.29 1.47 0.59 2.80 0.00 -0.95 -0.16 119.26 124.30 2k0y h ALA 13 Ca 0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2k0y h ALA 13 Cb 0.17 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2k0y h ALA 13 CO -0.18 0.40 -0.29 -0.07 0.00 0.00 0.00 179.25 179.11 2k0y h LEU 14 N 0.57 -0.68 -0.25 0.00 -0.00 -1.14 -2.91 115.31 110.90 2k0y h LEU 14 Ca 0.14 -0.03 0.05 0.00 -0.00 0.00 0.00 57.88 58.04 2k0y h LEU 14 Cb 0.18 0.17 -0.05 0.00 -0.00 0.00 0.00 40.66 40.96 2k0y h LEU 14 CO -0.01 -0.36 -0.08 0.58 -0.00 0.00 0.00 178.44 178.56 2k0y h VAL 15 N -0.98 0.70 -0.01 1.22 2.07 -0.94 -1.28 116.25 117.04 2k0y h VAL 15 Ca -0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2k0y h VAL 15 Cb 0.66 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2k0y h VAL 15 CO 0.13 0.00 -0.05 -0.33 0.02 0.00 0.00 177.57 177.35 2k0y h GLU 16 N -0.03 0.01 0.19 1.57 5.08 -1.13 0.23 114.58 120.49 2k0y h GLU 16 Ca 0.13 -0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.24 2k0y h GLU 16 Cb 0.22 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.50 2k0y h GLU 16 CO -0.28 0.06 -1.10 0.77 -1.00 0.00 0.00 179.01 177.47 2k0y h SER 17 N 0.01 0.61 0.53 1.42 0.02 -1.06 -3.31 113.55 111.77 2k0y h SER 17 Ca 0.00 -0.94 -0.17 0.00 -0.84 0.00 0.00 61.79 59.84 2k0y h SER 17 Cb 0.09 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2k0y h SER 17 CO 0.01 1.53 -0.77 0.00 -1.14 0.00 0.00 176.83 176.46 2k0y h ALA 18 N 0.10 0.67 0.00 3.77 0.00 -1.13 -3.47 119.26 119.19 2k0y h ALA 18 Ca -0.19 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2k0y h ALA 18 Cb 1.85 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2k0y h ALA 18 CO 0.20 0.85 0.00 0.41 0.00 0.00 0.00 179.25 180.71 2k0y n GLY 19 N 0.63 0.65 3.74 0.00 0.00 0.05 -5.01 105.19 105.25 2k0y n GLY 19 Ca -0.03 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.49 4.46 0.00 1.61 0.41 -1.17 -4.97 118.70 116.56 2k0y s GLU 20 Ca 0.00 1.96 0.00 0.00 -0.41 0.00 0.00 54.97 56.52 2k0y s GLU 20 Cb 0.00 -3.20 0.00 0.00 -1.78 0.00 0.00 34.13 29.15 2k0y s GLU 20 CO 0.00 -0.11 0.13 0.25 -0.49 0.00 0.00 175.26 175.04 2k0y n THR 21 N 2.14 0.00 0.09 3.63 -2.24 -1.26 -4.66 114.28 111.98 2k0y n THR 21 Ca 0.04 0.55 -0.04 0.00 -2.27 0.00 0.00 64.05 62.33 2k0y n THR 21 Cb 0.44 -1.41 -0.02 0.00 -2.10 0.00 0.00 70.33 67.24 2k0y n THR 21 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2k0y h ASP 22 N 0.00 -0.23 -3.39 3.42 3.58 -2.02 -3.48 116.42 114.31 2k0y h ASP 22 Ca 0.00 0.01 -0.32 0.00 0.42 0.00 0.00 57.03 57.14 2k0y h ASP 22 Cb 0.00 0.06 0.04 0.00 1.72 0.00 0.00 39.33 41.15 2k0y h ASP 22 CO 0.00 0.03 -0.47 0.61 -2.88 0.00 0.00 179.24 176.53 2k0y n GLY 23 N 0.77 -0.26 0.47 -0.78 0.00 -1.26 -4.73 105.19 99.39 2k0y n GLY 23 Ca -0.03 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.21 -0.64 -2.24 2.61 -1.04 -1.26 -4.55 114.28 102.94 2k0y n THR 24 Ca -0.11 0.39 -0.37 0.00 -2.04 0.00 0.00 64.05 61.92 2k0y n THR 24 Cb 0.60 -0.62 -0.03 0.00 -1.82 0.00 0.00 70.33 68.46 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 -4.28 5.63 0.00 8.00 2.15 -1.26 -4.70 116.67 122.21 2k0y s ASP 25 Ca 0.00 -0.28 0.08 0.00 0.43 0.00 0.00 52.55 52.79 2k0y s ASP 25 Cb 0.00 -2.55 0.11 0.00 -0.30 0.00 0.00 42.92 40.19 2k0y s ASP 25 CO 0.00 -2.20 0.89 -0.11 -0.17 0.00 0.00 175.17 173.58 2k0y n LEU 26 N 11.61 1.99 -4.55 -1.34 7.94 -1.26 -4.94 117.00 126.46 2k0y n LEU 26 Ca 0.21 -1.29 -0.39 0.00 -1.11 0.00 0.00 56.01 53.43 2k0y n LEU 26 Cb 0.50 -0.05 -0.03 0.00 0.53 0.00 0.00 43.42 44.37 2k0y n LEU 26 CO 0.68 0.43 1.47 -0.94 -1.11 0.00 0.00 177.39 177.93 2k0y s SER 27 N -0.79 5.56 0.00 1.96 1.04 -1.26 -4.69 113.70 115.52 2k0y s SER 27 Ca 0.12 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.68 2k0y s SER 27 Cb 0.08 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2k0y s SER 27 CO 0.11 -2.19 0.00 0.61 0.98 0.00 0.00 173.24 172.75 2k0y n GLY 28 N 5.59 0.24 3.44 7.32 0.00 -1.26 -5.00 105.19 115.52 2k0y n GLY 28 Ca 0.15 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 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 6.24 -0.15 1.61 1.11 -1.26 -4.85 116.67 115.36 2k0y s ASP 29 Ca 0.00 -1.21 0.11 0.00 0.18 0.00 0.00 52.55 51.63 2k0y s ASP 29 Cb 0.00 -2.40 0.58 0.00 1.07 0.00 0.00 42.92 42.17 2k0y s ASP 29 CO 0.00 -1.34 1.40 2.22 1.18 0.00 0.00 175.17 178.63 2k0y n PHE 30 N 7.36 1.43 0.15 4.23 -1.74 -1.26 -4.50 117.46 123.12 2k0y n PHE 30 Ca -0.00 -0.51 0.19 0.00 -0.56 0.00 0.00 57.45 56.57 2k0y n PHE 30 Cb 0.46 -0.36 0.77 0.00 1.52 0.00 0.00 39.48 41.87 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 2.92 0.00 0.00 5.98 3.38 -1.92 -0.36 115.31 125.31 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 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2k0y h LEU 31 CO 0.32 0.00 -1.49 -0.67 0.09 0.00 0.00 178.44 176.70 2k0y n ASP 32 N -3.61 0.43 -4.70 -0.43 2.03 -1.26 -2.73 116.55 106.27 2k0y n ASP 32 Ca 0.05 0.12 -0.42 0.00 0.52 0.00 0.00 54.79 55.06 2k0y n ASP 32 Cb 0.53 1.22 -0.03 0.00 -0.72 0.00 0.00 41.12 42.12 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 -4.84 4.32 0.59 -2.67 1.43 -0.15 -4.96 118.68 112.40 2k0y s LEU 33 Ca -0.04 1.59 -0.15 0.00 -1.03 0.00 0.00 54.13 54.50 2k0y s LEU 33 Cb 0.12 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 2k0y s LEU 33 CO 0.85 -0.32 1.04 -0.13 0.23 0.00 0.00 176.35 178.02 2k0y s ARG 34 N 1.36 3.42 0.10 1.70 3.00 -1.26 -4.26 118.95 123.01 2k0y s ARG 34 Ca 0.50 1.11 -0.16 0.00 0.00 0.00 0.00 55.73 57.18 2k0y s ARG 34 Cb -0.20 -2.05 -0.05 0.00 0.00 0.00 0.00 34.95 32.65 2k0y s ARG 34 CO 0.24 -0.72 1.52 0.74 0.00 0.00 0.00 175.30 177.07 2k0y h PHE 35 N 0.39 0.69 0.00 -0.53 0.04 -1.75 -1.69 116.94 114.09 2k0y h PHE 35 Ca -0.46 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 60.16 2k0y h PHE 35 Cb 1.21 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 39.19 2k0y h PHE 35 CO 0.60 0.78 -0.00 1.49 -0.60 0.00 0.00 178.31 180.57 2k0y h GLU 36 N 0.40 0.00 0.02 1.51 4.81 -1.83 0.18 114.58 119.66 2k0y h GLU 36 Ca 0.09 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.10 2k0y h GLU 36 Cb 0.54 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 2k0y h GLU 36 CO 0.03 0.00 -1.02 0.22 -0.73 0.00 0.00 179.01 177.51 2k0y h ASP 37 N 0.00 0.06 -0.64 1.04 1.82 -1.67 -3.12 116.42 113.92 2k0y h ASP 37 Ca -0.00 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 2k0y h ASP 37 Cb 0.01 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.00 2k0y h ASP 37 CO 0.00 1.04 0.00 2.30 -1.61 0.00 0.00 179.24 180.97 2k0y n ILE 38 N -3.39 1.43 -2.54 2.25 -5.35 -0.62 -4.93 119.36 106.20 2k0y n ILE 38 Ca -0.01 -1.03 -0.06 0.00 -0.27 0.00 0.00 62.75 61.37 2k0y n ILE 38 Cb 0.94 0.22 0.03 0.00 -1.74 0.00 0.00 39.64 39.10 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 1.28 0.19 2.79 3.28 0.00 -0.86 -4.79 105.19 107.07 2k0y n GLY 39 Ca 0.24 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.12 0.86 0.44 1.61 1.51 0.52 -5.00 117.35 114.17 2k0y s TYR 40 Ca 0.02 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.68 2k0y s TYR 40 Cb -0.01 -0.91 -0.02 0.00 -0.11 0.00 0.00 41.96 40.91 2k0y s TYR 40 CO 0.25 -0.41 0.69 -0.51 -1.11 0.00 0.00 175.55 174.47 2k0y s ASP 41 N 1.91 6.11 0.54 2.29 1.11 -1.26 -3.10 116.67 124.26 2k0y s ASP 41 Ca 0.04 0.59 0.25 0.00 0.18 0.00 0.00 52.55 53.61 2k0y s ASP 41 Cb -0.13 -1.95 1.42 0.00 1.07 0.00 0.00 42.92 43.32 2k0y s ASP 41 CO -0.06 -0.56 2.01 0.77 1.18 0.00 0.00 175.17 178.51 2k0y h SER 42 N 0.41 0.00 0.06 0.27 4.64 -1.92 -1.51 113.55 115.50 2k0y h SER 42 Ca -0.48 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2k0y h SER 42 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2k0y h SER 42 CO 0.60 0.00 -0.03 0.25 -0.87 0.00 0.00 176.83 176.78 2k0y h LEU 43 N 0.00 -0.07 -1.07 5.97 5.85 -1.95 0.36 115.31 124.41 2k0y h LEU 43 Ca 0.23 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2k0y h LEU 43 Cb 0.93 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 2k0y h LEU 43 CO -0.00 0.19 0.53 0.00 -0.34 0.00 0.00 178.44 178.83 2k0y h ALA 44 N 0.58 1.30 -0.72 1.25 0.00 -1.84 -2.00 119.26 117.83 2k0y h ALA 44 Ca -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2k0y h ALA 44 Cb 0.30 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2k0y h ALA 44 CO 0.01 0.61 0.24 1.25 0.00 0.00 0.00 179.25 181.36 2k0y h LEU 45 N 1.19 1.03 -0.96 0.00 5.85 -1.00 -1.83 115.31 119.59 2k0y h LEU 45 Ca 0.31 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 2k0y h LEU 45 Cb -0.07 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 2k0y h LEU 45 CO -0.06 0.96 0.06 0.24 -0.34 0.00 0.00 178.44 179.29 2k0y h MET 46 N 1.05 0.81 0.00 1.25 2.86 0.41 -0.37 114.93 120.94 2k0y h MET 46 Ca 0.23 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 2k0y h MET 46 Cb 0.29 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2k0y h MET 46 CO -0.01 0.78 -0.29 1.49 1.06 0.00 0.00 176.91 179.94 2k0y h GLU 47 N 0.77 0.00 0.30 1.72 4.81 -1.05 0.33 114.58 121.46 2k0y h GLU 47 Ca 0.16 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2k0y h GLU 47 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2k0y h GLU 47 CO 0.01 0.29 -0.14 1.15 -0.73 0.00 0.00 179.01 179.59 2k0y h THR 48 N 0.00 0.74 -0.76 0.32 2.02 -0.56 -1.63 112.91 113.03 2k0y h THR 48 Ca -0.00 -0.45 0.09 0.00 0.77 0.00 0.00 66.41 66.82 2k0y h THR 48 Cb 0.56 0.98 -0.05 0.00 -1.74 0.00 0.00 68.15 67.90 2k0y h THR 48 CO 0.04 0.09 0.50 0.00 0.37 0.00 0.00 175.52 176.52 2k0y h ALA 49 N -0.03 1.78 -0.94 6.16 0.00 -0.70 -1.76 119.26 123.77 2k0y h ALA 49 Ca -0.04 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2k0y h ALA 49 Cb 0.46 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 2k0y h ALA 49 CO 0.07 0.07 0.60 0.00 0.00 0.00 0.00 179.25 179.99 2k0y h ALA 50 N 1.61 1.28 -0.66 0.00 0.00 0.32 0.32 119.26 122.13 2k0y h ALA 50 Ca 0.35 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 2k0y h ALA 50 Cb 0.42 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2k0y h ALA 50 CO -0.13 0.41 0.13 0.00 0.00 0.00 0.00 179.25 179.66 2k0y h ARG 51 N 1.12 1.06 -0.36 0.00 3.08 -0.42 -0.22 114.38 118.65 2k0y h ARG 51 Ca 0.40 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 2k0y h ARG 51 Cb 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2k0y h ARG 51 CO -0.15 0.96 0.05 -0.07 -1.07 0.00 0.00 179.97 179.69 2k0y h LEU 52 N 1.00 0.58 -0.16 3.04 3.38 -0.96 0.18 115.31 122.37 2k0y h LEU 52 Ca 0.20 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2k0y h LEU 52 Cb 0.40 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2k0y h LEU 52 CO 0.01 0.69 -0.08 -0.33 0.09 0.00 0.00 178.44 178.83 2k0y h GLU 53 N 0.44 -0.06 -0.04 1.13 5.08 -0.01 -0.33 114.58 120.79 2k0y h GLU 53 Ca 0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2k0y h GLU 53 Cb 0.37 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2k0y h GLU 53 CO 0.01 -0.04 0.02 0.77 -1.00 0.00 0.00 179.01 178.77 2k0y h SER 54 N -0.06 0.05 -0.46 1.42 0.02 -0.83 -0.37 113.55 113.32 2k0y h SER 54 Ca 0.09 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2k0y h SER 54 Cb 0.19 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2k0y h SER 54 CO -0.20 0.19 0.16 -0.09 -1.14 0.00 0.00 176.83 175.75 2k0y h ARG 55 N -0.09 0.70 -0.01 3.45 2.43 -0.44 -3.14 114.38 117.29 2k0y h ARG 55 Ca 0.01 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2k0y h ARG 55 Cb 0.15 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2k0y h ARG 55 CO -0.00 0.66 -0.55 0.66 -1.51 0.00 0.00 179.97 179.23 2k0y n TYR 56 N -4.56 0.00 -2.71 2.20 4.01 -0.15 -4.96 117.16 110.99 2k0y n TYR 56 Ca 0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.66 2k0y n TYR 56 Cb 0.17 -0.10 0.05 0.00 -0.31 0.00 0.00 39.34 39.15 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 -0.02 3.30 2.72 0.00 -0.27 -5.02 105.19 107.34 2k0y n GLY 57 Ca 0.08 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.19 0.00 -0.02 1.61 0.11 -0.49 -5.05 120.40 113.36 2k0y s VAL 58 Ca 0.04 -1.93 0.00 0.00 -2.93 0.00 0.00 61.98 57.16 2k0y s VAL 58 Cb -0.00 -2.51 0.02 0.00 -1.53 0.00 0.00 36.38 32.35 2k0y s VAL 58 CO 0.39 0.00 0.01 -0.55 -3.33 0.00 0.00 175.10 171.62 2k0y s SER 59 N -3.30 0.20 -0.23 3.54 0.15 -1.26 -4.42 113.70 108.37 2k0y s SER 59 Ca 0.39 0.00 -0.08 0.00 0.70 0.00 0.00 55.95 56.96 2k0y s SER 59 Cb 0.03 -0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 2k0y s SER 59 CO 0.23 -0.09 0.08 -0.63 1.20 0.00 0.00 173.24 174.03 2k0y s ILE 60 N 0.81 4.59 -0.03 6.45 1.01 -1.26 -5.05 121.20 127.71 2k0y s ILE 60 Ca -0.07 -0.09 -0.31 0.00 0.00 0.00 0.00 60.65 60.18 2k0y s ILE 60 Cb -0.10 -3.13 -0.09 0.00 0.01 0.00 0.00 42.46 39.15 2k0y s ILE 60 CO -0.02 0.36 2.00 -2.65 0.00 0.00 0.00 174.94 174.64 2k0y n PRO 61 N 4.51 2.56 0.11 2.79 -0.02 -1.26 -4.85 135.00 138.84 2k0y n PRO 61 Ca -0.16 0.91 0.19 0.00 -2.02 0.00 0.00 63.50 62.42 2k0y n PRO 61 Cb 0.52 -2.97 0.76 0.00 -0.02 0.00 0.00 33.50 31.79 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 11.07 0.00 0.55 2.55 2.03 -1.99 0.20 116.42 130.84 2k0y h ASP 62 Ca -0.48 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.73 2k0y h ASP 62 Cb 1.25 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.74 2k0y h ASP 62 CO 0.95 0.00 -0.44 -2.24 -1.03 0.00 0.00 179.24 176.47 2k0y h ASP 63 N 0.00 0.00 0.01 4.15 2.03 -1.99 -1.89 116.42 118.73 2k0y h ASP 63 Ca 0.17 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.44 2k0y h ASP 63 Cb 0.83 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.33 2k0y h ASP 63 CO -0.00 0.44 -0.13 0.58 -1.03 0.00 0.00 179.24 179.11 2k0y h VAL 64 N 0.00 1.64 -0.38 4.15 2.07 -1.34 -3.18 116.25 119.20 2k0y h VAL 64 Ca -0.00 -2.04 0.10 0.00 0.82 0.00 0.00 66.70 65.58 2k0y h VAL 64 Cb 0.84 2.99 -0.02 0.00 -1.52 0.00 0.00 31.29 33.58 2k0y h VAL 64 CO 0.06 0.54 0.27 0.00 0.02 0.00 0.00 177.57 178.46 2k0y h ALA 65 N 0.17 2.25 -0.01 1.67 0.00 -1.30 0.14 119.26 122.19 2k0y h ALA 65 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k0y h ALA 65 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2k0y h ALA 65 CO 0.02 -0.35 -0.24 0.41 0.00 0.00 0.00 179.25 179.09 2k0y n GLY 66 N -1.59 -0.70 0.01 0.00 0.00 -0.73 -3.99 105.19 98.19 2k0y n GLY 66 Ca 0.06 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.74 0.33 -2.65 1.61 5.12 0.48 -4.89 116.66 115.92 2k0y n ARG 67 Ca 0.12 -0.08 -0.43 0.00 -1.93 0.00 0.00 57.85 55.54 2k0y n ARG 67 Cb 0.33 -1.53 -0.02 0.00 -1.16 0.00 0.00 32.46 30.08 2k0y n ARG 67 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2k0y s VAL 68 N -3.25 4.68 -0.15 1.55 -7.23 -1.07 -4.89 120.40 110.03 2k0y s VAL 68 Ca 0.01 2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 62.15 2k0y s VAL 68 Cb 0.15 -4.29 -0.24 0.00 0.56 0.00 0.00 36.38 32.56 2k0y s VAL 68 CO 0.87 -0.12 0.22 -0.67 -0.31 0.00 0.00 175.10 175.08 2k0y n ASP 69 N 5.96 1.95 -4.42 4.85 2.03 -1.26 -4.89 116.55 120.76 2k0y n ASP 69 Ca 0.11 0.12 -0.32 0.00 0.52 0.00 0.00 54.79 55.22 2k0y n ASP 69 Cb 0.47 -0.64 -0.14 0.00 -0.72 0.00 0.00 41.12 40.09 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 -2.55 2.84 0.54 5.18 -4.23 -1.26 -2.41 115.64 113.75 2k0y s THR 70 Ca -0.24 -0.80 0.29 0.00 -1.18 0.00 0.00 61.69 59.76 2k0y s THR 70 Cb 0.07 -2.10 0.44 0.00 1.34 0.00 0.00 72.50 72.25 2k0y s THR 70 CO 0.73 0.58 1.94 -0.65 -0.54 0.00 0.00 174.62 176.68 2k0y h PRO 71 N 5.58 0.00 -0.72 3.99 0.11 -1.73 -0.56 132.00 138.67 2k0y h PRO 71 Ca -0.42 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.82 2k0y h PRO 71 Cb 1.16 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.17 2k0y h PRO 71 CO 0.50 0.00 0.26 0.07 -0.21 0.00 0.00 178.00 178.62 2k0y h ARG 72 N 0.00 0.38 -0.04 1.05 0.11 -1.84 0.27 114.38 114.32 2k0y h ARG 72 Ca 0.34 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.38 2k0y h ARG 72 Cb 1.37 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 32.36 2k0y h ARG 72 CO -0.00 0.25 -0.00 0.93 0.10 0.00 0.00 179.97 181.24 2k0y h GLU 73 N 0.39 0.08 -0.45 0.08 5.08 -1.41 -2.32 114.58 116.02 2k0y h GLU 73 Ca 0.39 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.68 2k0y h GLU 73 Cb 0.60 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2k0y h GLU 73 CO -0.41 0.39 0.10 1.25 -1.00 0.00 0.00 179.01 179.35 2k0y h LEU 74 N -0.25 0.70 0.48 1.33 7.12 -1.37 -0.62 115.31 122.69 2k0y h LEU 74 Ca 0.01 -0.24 -0.01 0.00 0.13 0.00 0.00 57.88 57.77 2k0y h LEU 74 Cb 0.36 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.30 2k0y h LEU 74 CO 0.00 0.75 -0.36 0.25 -0.13 0.00 0.00 178.44 178.96 2k0y h LEU 75 N 0.61 -0.94 -0.51 2.25 5.85 -0.48 -2.06 115.31 120.03 2k0y h LEU 75 Ca 0.14 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.94 2k0y h LEU 75 Cb 0.33 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2k0y h LEU 75 CO 0.00 -0.53 0.33 -0.78 -0.34 0.00 0.00 178.44 177.12 2k0y h ASP 76 N -0.82 0.56 -0.67 1.25 3.58 -1.20 0.32 116.42 119.44 2k0y h ASP 76 Ca -0.05 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2k0y h ASP 76 Cb 0.70 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 2k0y h ASP 76 CO 0.01 0.40 0.35 -0.07 -2.88 0.00 0.00 179.24 177.05 2k0y h LEU 77 N 0.67 0.87 0.14 2.28 3.38 -1.06 0.14 115.31 121.72 2k0y h LEU 77 Ca 0.19 -0.08 -0.29 0.00 0.09 0.00 0.00 57.88 57.79 2k0y h LEU 77 Cb -0.05 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.48 2k0y h LEU 77 CO -0.05 0.72 -1.31 0.40 0.09 0.00 0.00 178.44 178.28 2k0y h ILE 78 N 0.97 1.42 -0.92 1.22 2.04 -0.95 -3.06 117.51 118.23 2k0y h ILE 78 Ca 0.24 -2.99 0.05 0.00 1.00 0.00 0.00 64.86 63.17 2k0y h ILE 78 Cb 0.07 2.93 -0.06 0.00 -0.74 0.00 0.00 36.82 39.02 2k0y h ILE 78 CO -0.03 0.87 0.59 0.78 0.00 0.00 0.00 178.15 180.36 2k0y h ASN 79 N 0.08 0.95 -0.84 1.72 -0.26 0.18 0.56 115.58 117.98 2k0y h ASN 79 Ca -0.16 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.56 2k0y h ASN 79 Cb 2.00 -0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 39.02 2k0y h ASN 79 CO 0.20 0.63 0.46 1.23 -1.06 0.00 0.00 177.43 178.89 2k0y h GLY 80 N 1.10 1.25 1.93 2.83 0.00 -0.79 0.28 103.07 109.67 2k0y h GLY 80 Ca 0.39 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 2k0y h GLY 80 CO -0.15 0.54 -0.45 0.00 0.00 0.00 0.00 176.54 176.48 2k0y h ALA 81 N 1.24 1.19 0.03 3.60 0.00 -1.12 -2.06 119.26 122.14 2k0y h ALA 81 Ca 0.29 -0.42 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 2k0y h ALA 81 Cb 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2k0y h ALA 81 CO -0.05 0.59 -1.00 -0.07 0.00 0.00 0.00 179.25 178.72 2k0y h LEU 82 N 0.06 0.38 -1.33 0.00 3.38 -0.39 -2.82 115.31 114.60 2k0y h LEU 82 Ca 0.00 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 2k0y h LEU 82 Cb 0.83 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2k0y h LEU 82 CO 0.06 1.17 -0.08 0.00 0.09 0.00 0.00 178.44 179.68 2k0y h ALA 83 N 0.80 1.45 -0.50 1.53 0.00 -0.04 -1.80 119.26 120.71 2k0y h ALA 83 Ca -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2k0y h ALA 83 Cb 1.66 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2k0y h ALA 83 CO 0.16 0.39 0.00 -0.85 0.00 0.00 0.00 179.25 178.95 2k0y n GLU 84 N -4.28 3.08 -3.22 0.00 0.28 -0.81 -4.90 120.64 110.79 2k0y n GLU 84 Ca 0.00 -2.17 -0.24 0.00 -0.16 0.00 0.00 57.16 54.59 2k0y n GLU 84 Cb 0.26 -1.74 -0.00 0.00 1.43 0.00 0.00 31.44 31.38 2k0y n GLU 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k0y s ALA 85 N -1.77 3.70 0.00 -1.84 0.00 -0.68 -5.05 121.76 116.13 2k0y s ALA 85 Ca 0.39 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2k0y s ALA 85 Cb 0.25 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 21.23 2k0y s ALA 85 CO 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 175.76 175.81