#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 -0.37 -3.38 3.04 0.00 -2.06 -3.43 119.26 113.06 2k0y h ALA 2 Ca 0.00 -0.03 -0.60 0.00 0.00 0.00 0.00 54.91 54.28 2k0y h ALA 2 Cb 0.00 0.05 -0.40 0.00 0.00 0.00 0.00 17.79 17.44 2k0y h ALA 2 CO 0.00 -0.36 -0.75 0.95 0.00 0.00 0.00 179.25 179.09 2k0y s THR 3 N -2.05 1.31 0.00 0.00 -4.23 -1.26 -4.99 115.64 104.42 2k0y s THR 3 Ca -0.02 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 2k0y s THR 3 Cb 0.00 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.95 2k0y s THR 3 CO 0.06 -0.52 0.00 -0.11 -0.54 0.00 0.00 174.62 173.50 2k0y n LEU 4 N 4.68 0.00 -4.23 4.79 7.94 -1.26 -5.01 117.00 123.91 2k0y n LEU 4 Ca -0.03 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.54 2k0y n LEU 4 Cb 0.43 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.22 2k0y n LEU 4 CO 0.15 0.00 -0.49 -0.76 -1.11 0.00 0.00 177.39 175.18 2k0y s LEU 5 N 0.00 2.38 0.00 -1.96 1.43 -1.26 -4.54 118.68 114.72 2k0y s LEU 5 Ca 0.00 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 2k0y s LEU 5 Cb 0.00 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.70 2k0y s LEU 5 CO 0.00 0.06 0.12 0.35 0.23 0.00 0.00 176.35 177.12 2k0y n THR 6 N 4.19 0.00 0.03 5.49 -2.24 -1.26 -4.80 114.28 115.69 2k0y n THR 6 Ca -0.19 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.22 2k0y n THR 6 Cb 0.51 -1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 67.65 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 -0.12 0.31 0.00 4.28 2.02 -1.99 -0.36 112.91 117.04 2k0y h THR 7 Ca -0.04 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.04 2k0y h THR 7 Cb 0.18 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2k0y h THR 7 CO 0.05 0.00 -0.49 -0.78 0.37 0.00 0.00 175.52 174.67 2k0y h ASP 8 N -0.42 0.00 -0.33 4.18 3.58 -1.95 0.21 116.42 121.69 2k0y h ASP 8 Ca 0.08 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 2k0y h ASP 8 Cb 0.54 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 2k0y h ASP 8 CO -0.31 0.49 0.04 0.44 -2.88 0.00 0.00 179.24 177.02 2k0y h ASP 9 N 0.00 0.54 -0.17 2.28 3.32 -1.76 0.12 116.42 120.75 2k0y h ASP 9 Ca -0.00 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 2k0y h ASP 9 Cb 0.98 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 2k0y h ASP 9 CO 0.06 0.68 0.01 0.25 -1.72 0.00 0.00 179.24 178.53 2k0y h LEU 10 N 0.38 0.28 -0.45 1.55 5.85 -0.93 -1.70 115.31 120.30 2k0y h LEU 10 Ca 0.10 -0.28 0.09 0.00 0.84 0.00 0.00 57.88 58.63 2k0y h LEU 10 Cb 0.38 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.24 2k0y h LEU 10 CO 0.01 0.49 -0.19 -0.09 -0.34 0.00 0.00 178.44 178.32 2k0y h ARG 11 N 0.06 -0.10 0.01 1.25 2.43 -0.74 0.72 114.38 118.02 2k0y h ARG 11 Ca 0.05 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2k0y h ARG 11 Cb 0.34 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2k0y h ARG 11 CO 0.01 -0.06 -0.04 -0.09 -1.51 0.00 0.00 179.97 178.27 2k0y h ARG 12 N -0.10 -0.07 -0.62 0.20 2.43 -0.62 -2.26 114.38 113.34 2k0y h ARG 12 Ca 0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2k0y h ARG 12 Cb 0.43 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 2k0y h ARG 12 CO -0.52 -0.05 0.39 0.00 -1.51 0.00 0.00 179.97 178.29 2k0y h ALA 13 N 0.91 1.53 0.30 2.80 0.00 -0.54 -0.35 119.26 123.91 2k0y h ALA 13 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2k0y h ALA 13 Cb 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2k0y h ALA 13 CO -0.03 0.42 -0.14 -0.07 0.00 0.00 0.00 179.25 179.43 2k0y h LEU 14 N 0.84 -0.34 -0.47 0.00 3.38 -0.73 -2.55 115.31 115.44 2k0y h LEU 14 Ca 0.22 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.13 2k0y h LEU 14 Cb -0.07 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2k0y h LEU 14 CO -0.05 -0.11 0.25 0.58 0.09 0.00 0.00 178.44 179.21 2k0y h VAL 15 N -0.57 0.99 -0.04 1.22 2.07 -0.77 0.78 116.25 119.93 2k0y h VAL 15 Ca -0.04 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2k0y h VAL 15 Cb 0.42 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2k0y h VAL 15 CO 0.07 0.09 -0.02 -0.33 0.02 0.00 0.00 177.57 177.40 2k0y h GLU 16 N 0.50 0.06 0.05 1.57 5.08 -1.08 -0.13 114.58 120.63 2k0y h GLU 16 Ca 0.20 -0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 58.24 2k0y h GLU 16 Cb 0.08 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2k0y h GLU 16 CO -0.12 0.08 -1.79 0.77 -1.00 0.00 0.00 179.01 176.96 2k0y h SER 17 N 0.06 0.16 0.89 1.42 0.02 -0.87 -3.35 113.55 111.88 2k0y h SER 17 Ca 0.02 -0.35 -0.18 0.00 -0.84 0.00 0.00 61.79 60.44 2k0y h SER 17 Cb 0.07 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 2k0y h SER 17 CO 0.00 1.31 -0.86 0.00 -1.14 0.00 0.00 176.83 176.14 2k0y h ALA 18 N 0.67 0.56 0.00 3.77 0.00 -0.62 -3.48 119.26 120.16 2k0y h ALA 18 Ca -0.33 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 53.80 2k0y h ALA 18 Cb 2.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2k0y h ALA 18 CO 0.09 1.08 0.00 0.41 0.00 0.00 0.00 179.25 180.83 2k0y n GLY 19 N 0.99 2.24 3.50 0.00 0.00 -0.08 -4.71 105.19 107.12 2k0y n GLY 19 Ca -0.00 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 3.22 -0.28 1.61 2.02 -1.26 -4.88 118.70 119.13 2k0y s GLU 20 Ca 0.00 -0.73 -0.01 0.00 0.02 0.00 0.00 54.97 54.24 2k0y s GLU 20 Cb 0.00 -3.91 0.17 0.00 0.10 0.00 0.00 34.13 30.48 2k0y s GLU 20 CO 0.00 -0.70 0.50 -0.08 0.02 0.00 0.00 175.26 175.00 2k0y s THR 21 N 1.94 -0.83 -0.18 3.63 -1.32 -1.26 -5.01 115.64 112.62 2k0y s THR 21 Ca 0.09 -0.04 -0.17 0.00 -1.21 0.00 0.00 61.69 60.37 2k0y s THR 21 Cb -0.17 -0.92 -0.06 0.00 -1.51 0.00 0.00 72.50 69.83 2k0y s THR 21 CO 0.12 -0.06 -0.32 0.47 -2.21 0.00 0.00 174.62 172.61 2k0y n ASP 22 N 5.40 1.92 0.00 8.08 8.00 -1.26 -4.97 116.55 133.72 2k0y n ASP 22 Ca -0.02 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.85 2k0y n ASP 22 Cb 0.51 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 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 1.47 1.41 0.00 0.44 0.00 -1.26 -4.65 105.19 102.61 2k0y n GLY 23 Ca -0.15 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2k0y n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k0y n THR 24 N 0.00 0.00 -2.67 2.61 5.66 -1.26 -4.86 114.28 113.76 2k0y n THR 24 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 2k0y n THR 24 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 2k0y n THR 24 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2k0y s ASP 25 N -4.00 6.56 0.00 1.09 -4.77 -1.26 -4.81 116.67 109.48 2k0y s ASP 25 Ca 0.00 0.29 0.24 0.00 -3.30 0.00 0.00 52.55 49.79 2k0y s ASP 25 Cb 0.00 -2.52 0.35 0.00 -1.09 0.00 0.00 42.92 39.66 2k0y s ASP 25 CO 0.00 -1.22 1.32 -0.11 0.70 0.00 0.00 175.17 175.86 2k0y n LEU 26 N 7.71 1.98 -4.76 2.11 7.94 -1.26 -4.89 117.00 125.83 2k0y n LEU 26 Ca 0.10 -0.68 -0.40 0.00 -1.11 0.00 0.00 56.01 53.92 2k0y n LEU 26 Cb 0.49 -0.03 -0.06 0.00 0.53 0.00 0.00 43.42 44.35 2k0y n LEU 26 CO 0.69 0.35 0.61 -0.94 -1.11 0.00 0.00 177.39 176.99 2k0y s SER 27 N -2.30 7.57 0.00 1.96 1.04 -1.26 -4.61 113.70 116.10 2k0y s SER 27 Ca 0.25 1.87 0.00 0.00 0.48 0.00 0.00 55.95 58.55 2k0y s SER 27 Cb 0.19 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.73 2k0y s SER 27 CO 0.46 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.46 2k0y n GLY 28 N 1.48 0.49 3.44 7.32 0.00 -1.26 -4.66 105.19 112.00 2k0y n GLY 28 Ca -0.03 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 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 6.24 0.00 1.61 -1.08 -1.26 -4.76 116.67 113.42 2k0y s ASP 29 Ca 0.00 -1.22 0.23 0.00 -0.52 0.00 0.00 52.55 51.05 2k0y s ASP 29 Cb 0.00 -2.40 0.36 0.00 -1.46 0.00 0.00 42.92 39.42 2k0y s ASP 29 CO 0.00 -1.34 1.35 2.22 0.52 0.00 0.00 175.17 177.93 2k0y n PHE 30 N 7.34 0.36 0.10 -5.34 -1.74 -1.26 -4.53 117.46 112.38 2k0y n PHE 30 Ca -0.00 -0.18 0.20 0.00 -0.56 0.00 0.00 57.45 56.90 2k0y n PHE 30 Cb 0.45 -0.00 0.75 0.00 1.52 0.00 0.00 39.48 42.21 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 4.50 0.00 0.00 5.98 3.38 -1.96 0.38 115.31 127.60 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 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2k0y h LEU 31 CO 0.00 0.00 -1.00 -0.67 0.09 0.00 0.00 178.44 176.86 2k0y n ASP 32 N -3.88 0.81 -4.67 -0.43 2.03 -1.26 -3.48 116.55 105.66 2k0y n ASP 32 Ca 0.07 0.28 -0.42 0.00 0.52 0.00 0.00 54.79 55.23 2k0y n ASP 32 Cb 0.55 0.47 -0.03 0.00 -0.72 0.00 0.00 41.12 41.39 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 -5.18 4.19 0.40 -2.67 1.02 0.12 -5.00 118.68 111.57 2k0y s LEU 33 Ca 0.00 1.35 -0.24 0.00 0.02 0.00 0.00 54.13 55.26 2k0y s LEU 33 Cb 0.10 -3.41 -0.09 0.00 0.02 0.00 0.00 46.19 42.81 2k0y s LEU 33 CO 0.79 -0.46 1.06 -0.13 0.02 0.00 0.00 176.35 177.63 2k0y s ARG 34 N 2.28 4.13 0.41 1.70 3.00 -1.26 -4.42 118.95 124.78 2k0y s ARG 34 Ca 0.43 1.54 0.09 0.00 0.00 0.00 0.00 55.73 57.79 2k0y s ARG 34 Cb -0.17 -2.53 0.86 0.00 0.00 0.00 0.00 34.95 33.11 2k0y s ARG 34 CO 0.13 -0.18 2.00 0.74 0.00 0.00 0.00 175.30 177.99 2k0y h PHE 35 N 2.46 0.36 -0.96 -0.53 0.04 -1.64 -0.94 116.94 115.73 2k0y h PHE 35 Ca -0.48 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.39 2k0y h PHE 35 Cb 1.22 -0.11 -0.08 0.00 2.20 0.00 0.00 35.95 39.17 2k0y h PHE 35 CO 0.57 0.32 0.59 1.49 -0.60 0.00 0.00 178.31 180.68 2k0y h GLU 36 N 0.36 0.91 0.08 1.51 4.57 -1.80 0.15 114.58 120.37 2k0y h GLU 36 Ca 0.09 -0.05 -0.26 0.00 -1.18 0.00 0.00 59.36 57.95 2k0y h GLU 36 Cb 0.14 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 2k0y h GLU 36 CO -0.00 0.60 -1.23 0.22 -1.18 0.00 0.00 179.01 177.42 2k0y h ASP 37 N 0.94 0.27 -0.36 1.04 3.58 -1.54 -3.24 116.42 117.12 2k0y h ASP 37 Ca 0.47 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2k0y h ASP 37 Cb 0.46 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2k0y h ASP 37 CO -0.26 1.25 0.00 2.30 -2.88 0.00 0.00 179.24 179.64 2k0y n ILE 38 N -3.44 1.65 -2.88 2.25 -5.35 -0.80 -4.88 119.36 105.89 2k0y n ILE 38 Ca -0.07 -0.84 -0.10 0.00 -0.27 0.00 0.00 62.75 61.46 2k0y n ILE 38 Cb 1.00 -0.34 0.05 0.00 -1.74 0.00 0.00 39.64 38.61 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 0.42 0.07 3.20 3.28 0.00 -0.95 -4.10 105.19 107.11 2k0y n GLY 39 Ca 0.17 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.18 2.71 0.04 1.61 1.51 0.48 -4.98 117.35 115.52 2k0y s TYR 40 Ca 0.12 -1.27 -0.25 0.00 -1.01 0.00 0.00 57.07 54.66 2k0y s TYR 40 Cb -0.05 -1.84 -0.05 0.00 -0.11 0.00 0.00 41.96 39.90 2k0y s TYR 40 CO 0.39 -0.58 0.77 -0.51 -1.11 0.00 0.00 175.55 174.51 2k0y s ASP 41 N 0.84 7.20 0.58 2.29 1.01 -1.26 -4.10 116.67 123.24 2k0y s ASP 41 Ca -0.06 1.44 0.29 0.00 0.71 0.00 0.00 52.55 54.92 2k0y s ASP 41 Cb -0.15 -2.47 1.52 0.00 1.01 0.00 0.00 42.92 42.83 2k0y s ASP 41 CO -0.02 -0.00 1.96 0.28 0.21 0.00 0.00 175.17 177.59 2k0y h SER 42 N 5.78 0.00 -0.01 0.27 0.02 -1.94 0.12 113.55 117.79 2k0y h SER 42 Ca -0.44 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2k0y h SER 42 Cb 1.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 2k0y h SER 42 CO 0.71 0.00 0.00 0.25 -1.14 0.00 0.00 176.83 176.65 2k0y h LEU 43 N 0.00 0.01 -1.37 5.07 5.85 -1.92 0.33 115.31 123.28 2k0y h LEU 43 Ca 0.19 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 2k0y h LEU 43 Cb 0.99 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2k0y h LEU 43 CO -0.00 0.24 -0.17 0.00 -0.34 0.00 0.00 178.44 178.17 2k0y h ALA 44 N 0.77 1.48 0.06 1.25 0.00 -1.56 0.40 119.26 121.65 2k0y h ALA 44 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k0y h ALA 44 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k0y h ALA 44 CO 0.00 0.37 -0.03 1.25 0.00 0.00 0.00 179.25 180.84 2k0y h LEU 45 N 0.20 -0.06 -1.45 0.00 5.85 -0.56 -1.40 115.31 117.88 2k0y h LEU 45 Ca 0.04 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 2k0y h LEU 45 Cb 0.42 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2k0y h LEU 45 CO 0.03 0.09 0.04 0.24 -0.34 0.00 0.00 178.44 178.50 2k0y h MET 46 N -0.21 0.41 -0.59 1.25 2.86 0.17 -0.11 114.93 118.70 2k0y h MET 46 Ca -0.01 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2k0y h MET 46 Cb 0.19 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 2k0y h MET 46 CO 0.01 0.40 0.29 1.49 1.06 0.00 0.00 176.91 180.16 2k0y h GLU 47 N 0.40 0.83 0.45 1.72 4.57 -0.56 0.56 114.58 122.55 2k0y h GLU 47 Ca 0.09 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2k0y h GLU 47 Cb 0.20 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 2k0y h GLU 47 CO 0.00 0.64 -0.21 1.15 -1.18 0.00 0.00 179.01 179.41 2k0y h THR 48 N 0.83 0.32 -0.67 0.32 2.02 -0.25 -2.98 112.91 112.50 2k0y h THR 48 Ca 0.21 -0.56 0.14 0.00 0.77 0.00 0.00 66.41 66.96 2k0y h THR 48 Cb 0.08 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 2k0y h THR 48 CO -0.03 0.06 0.45 0.00 0.37 0.00 0.00 175.52 176.38 2k0y h ALA 49 N -0.79 2.20 -0.39 6.16 0.00 -0.76 -1.10 119.26 124.57 2k0y h ALA 49 Ca -0.06 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2k0y h ALA 49 Cb 0.56 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2k0y h ALA 49 CO 0.10 -0.37 0.18 0.00 0.00 0.00 0.00 179.25 179.16 2k0y h ALA 50 N 1.68 0.48 -0.59 0.00 0.00 0.27 0.30 119.26 121.40 2k0y h ALA 50 Ca 0.32 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 2k0y h ALA 50 Cb 0.83 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2k0y h ALA 50 CO -0.08 -0.19 0.13 0.00 0.00 0.00 0.00 179.25 179.12 2k0y h ARG 51 N 0.37 0.91 -0.13 0.00 3.08 -1.08 -0.29 114.38 117.25 2k0y h ARG 51 Ca 0.17 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2k0y h ARG 51 Cb 0.10 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2k0y h ARG 51 CO -0.13 0.82 0.00 -0.07 -1.07 0.00 0.00 179.97 179.52 2k0y h LEU 52 N 0.87 0.22 -0.96 3.04 3.38 -0.89 0.56 115.31 121.53 2k0y h LEU 52 Ca 0.19 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.89 2k0y h LEU 52 Cb 0.33 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 2k0y h LEU 52 CO 0.00 0.47 0.62 -0.33 0.09 0.00 0.00 178.44 179.29 2k0y h GLU 53 N -0.04 1.15 0.54 1.13 5.08 -0.14 0.15 114.58 122.44 2k0y h GLU 53 Ca 0.04 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2k0y h GLU 53 Cb 0.36 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2k0y h GLU 53 CO 0.01 0.76 -0.26 1.03 -1.00 0.00 0.00 179.01 179.55 2k0y h SER 54 N 1.19 -0.61 -0.64 1.42 0.87 -0.80 -1.55 113.55 113.43 2k0y h SER 54 Ca 0.39 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.92 2k0y h SER 54 Cb 0.03 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 2k0y h SER 54 CO -0.13 -0.42 0.21 -0.09 -0.53 0.00 0.00 176.83 175.87 2k0y h ARG 55 N -0.76 0.98 -0.01 2.24 2.43 -0.80 -3.07 114.38 115.39 2k0y h ARG 55 Ca -0.07 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2k0y h ARG 55 Cb 0.55 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2k0y h ARG 55 CO 0.12 0.86 -0.30 0.66 -1.51 0.00 0.00 179.97 179.80 2k0y n TYR 56 N -4.38 0.00 -1.95 2.20 4.01 0.03 -4.92 117.16 112.15 2k0y n TYR 56 Ca 0.04 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.63 2k0y n TYR 56 Cb 0.20 -0.08 -0.03 0.00 -0.31 0.00 0.00 39.34 39.13 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 1.35 0.45 4.02 2.72 0.00 -0.61 -4.71 105.19 108.42 2k0y n GLY 57 Ca 0.12 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.67 2.58 -0.14 1.61 -7.23 -1.07 -4.89 120.40 108.59 2k0y s VAL 58 Ca 0.00 -0.96 -0.04 0.00 -1.81 0.00 0.00 61.98 59.17 2k0y s VAL 58 Cb 0.00 -2.62 0.06 0.00 0.56 0.00 0.00 36.38 34.38 2k0y s VAL 58 CO 0.00 0.00 0.13 -0.94 -0.31 0.00 0.00 175.10 173.98 2k0y s SER 59 N -4.51 1.59 -0.20 4.85 1.04 -1.26 -4.56 113.70 110.66 2k0y s SER 59 Ca 0.59 -0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.73 2k0y s SER 59 Cb -0.08 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 2k0y s SER 59 CO 0.36 -0.31 0.07 -0.63 0.98 0.00 0.00 173.24 173.72 2k0y s ILE 60 N 2.22 4.73 0.32 -1.02 1.01 -1.26 -5.05 121.20 122.15 2k0y s ILE 60 Ca 0.04 -0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 2k0y s ILE 60 Cb -0.14 -3.16 -0.11 0.00 0.01 0.00 0.00 42.46 39.06 2k0y s ILE 60 CO -0.08 0.42 1.55 -2.84 0.00 0.00 0.00 174.94 173.99 2k0y s PRO 61 N 0.71 4.12 0.27 2.79 0.02 -1.26 -4.83 135.00 136.83 2k0y s PRO 61 Ca 0.04 2.57 -0.00 0.00 0.02 0.00 0.00 61.00 63.62 2k0y s PRO 61 Cb -0.13 -3.01 0.55 0.00 0.02 0.00 0.00 34.50 31.93 2k0y s PRO 61 CO 0.02 -0.59 1.78 -0.44 -0.33 0.00 0.00 177.00 177.43 2k0y h ASP 62 N 4.28 0.63 0.19 2.53 5.19 -1.98 0.67 116.42 127.92 2k0y h ASP 62 Ca -0.48 0.08 -0.10 0.00 -0.62 0.00 0.00 57.03 55.91 2k0y h ASP 62 Cb 1.23 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 2k0y h ASP 62 CO 0.75 0.28 -0.37 -0.78 -3.12 0.00 0.00 179.24 176.00 2k0y h ASP 63 N 0.71 0.26 -0.04 6.45 3.58 -1.96 -2.28 116.42 123.13 2k0y h ASP 63 Ca 0.48 -0.10 -0.13 0.00 0.42 0.00 0.00 57.03 57.70 2k0y h ASP 63 Cb 0.63 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.62 2k0y h ASP 63 CO -0.34 0.61 -0.48 0.58 -2.88 0.00 0.00 179.24 176.74 2k0y h VAL 64 N 0.22 1.42 -0.72 2.25 2.07 -1.50 -2.93 116.25 117.06 2k0y h VAL 64 Ca 0.02 -1.92 0.10 0.00 0.82 0.00 0.00 66.70 65.73 2k0y h VAL 64 Cb 0.75 2.44 -0.05 0.00 -1.52 0.00 0.00 31.29 32.92 2k0y h VAL 64 CO 0.06 0.56 0.48 0.00 0.02 0.00 0.00 177.57 178.68 2k0y h ALA 65 N 0.38 1.88 -0.44 1.67 0.00 -0.62 -0.99 119.26 121.14 2k0y h ALA 65 Ca -0.05 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2k0y h ALA 65 Cb 1.16 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 2k0y h ALA 65 CO 0.10 -0.04 0.07 0.41 0.00 0.00 0.00 179.25 179.78 2k0y n GLY 66 N -1.48 4.03 0.00 0.00 0.00 -0.89 -4.33 105.19 102.53 2k0y n GLY 66 Ca 0.12 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.45 -0.20 -2.48 1.61 0.63 -0.46 -4.93 116.66 110.36 2k0y n ARG 67 Ca 0.30 -0.12 -0.41 0.00 -0.92 0.00 0.00 57.85 56.69 2k0y n ARG 67 Cb 1.09 -0.61 -0.03 0.00 0.45 0.00 0.00 32.46 33.36 2k0y n ARG 67 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2k0y s VAL 68 N -0.01 3.75 -0.04 5.15 -7.23 -0.67 -4.79 120.40 116.56 2k0y s VAL 68 Ca 0.00 0.52 0.11 0.00 -1.81 0.00 0.00 61.98 60.81 2k0y s VAL 68 Cb 0.00 -4.72 -0.23 0.00 0.56 0.00 0.00 36.38 31.99 2k0y s VAL 68 CO 0.00 -1.57 0.66 -0.78 -0.31 0.00 0.00 175.10 173.10 2k0y h ASP 69 N 10.55 0.02 -3.37 4.85 3.58 -1.93 -3.46 116.42 126.67 2k0y h ASP 69 Ca -0.27 -0.05 -0.66 0.00 0.42 0.00 0.00 57.03 56.47 2k0y h ASP 69 Cb 1.07 -0.01 -0.27 0.00 1.72 0.00 0.00 39.33 41.84 2k0y h ASP 69 CO 1.24 1.04 -0.78 0.42 -2.88 0.00 0.00 179.24 178.29 2k0y s THR 70 N -2.60 2.92 0.24 2.25 -4.23 -1.26 -1.62 115.64 111.35 2k0y s THR 70 Ca -0.05 -0.71 -0.06 0.00 -1.18 0.00 0.00 61.69 59.68 2k0y s THR 70 Cb 0.08 -2.21 0.25 0.00 1.34 0.00 0.00 72.50 71.96 2k0y s THR 70 CO 0.82 0.53 1.66 -0.65 -0.54 0.00 0.00 174.62 176.44 2k0y h PRO 71 N 6.62 0.17 -0.89 3.99 0.11 -1.77 -1.36 132.00 138.88 2k0y h PRO 71 Ca -0.26 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.98 2k0y h PRO 71 Cb 1.21 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 2k0y h PRO 71 CO 0.54 0.11 0.57 0.07 -0.21 0.00 0.00 178.00 179.09 2k0y h ARG 72 N 0.18 0.69 -0.38 1.05 0.11 -1.92 0.34 114.38 114.46 2k0y h ARG 72 Ca 0.41 -0.04 -0.07 0.00 0.10 0.00 0.00 59.98 60.38 2k0y h ARG 72 Cb 0.72 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 31.63 2k0y h ARG 72 CO -0.58 0.46 -0.02 0.93 0.10 0.00 0.00 179.97 180.85 2k0y h GLU 73 N 0.71 0.69 -0.21 0.08 4.39 -1.58 0.17 114.58 118.84 2k0y h GLU 73 Ca 0.44 -0.23 -0.07 0.00 0.34 0.00 0.00 59.36 59.83 2k0y h GLU 73 Cb 0.68 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2k0y h GLU 73 CO -0.20 0.80 -0.16 1.25 -1.16 0.00 0.00 179.01 179.54 2k0y h LEU 74 N 0.51 0.50 -0.20 1.33 7.12 -1.31 -0.75 115.31 122.52 2k0y h LEU 74 Ca 0.11 -0.45 0.04 0.00 0.13 0.00 0.00 57.88 57.70 2k0y h LEU 74 Cb 0.51 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 40.46 2k0y h LEU 74 CO 0.02 0.85 -0.03 0.25 -0.13 0.00 0.00 178.44 179.40 2k0y h LEU 75 N 0.16 -0.15 -0.48 2.25 5.85 -0.23 0.35 115.31 123.07 2k0y h LEU 75 Ca 0.04 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.86 2k0y h LEU 75 Cb 0.69 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 2k0y h LEU 75 CO 0.04 -0.05 0.23 -0.78 -0.34 0.00 0.00 178.44 177.55 2k0y h ASP 76 N 0.02 0.33 -0.27 1.25 3.58 -0.60 0.17 116.42 120.90 2k0y h ASP 76 Ca 0.10 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 2k0y h ASP 76 Cb 0.14 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 2k0y h ASP 76 CO -0.19 0.23 0.16 0.25 -2.88 0.00 0.00 179.24 176.81 2k0y h LEU 77 N 0.46 0.33 -1.07 2.28 7.12 -0.54 0.02 115.31 123.92 2k0y h LEU 77 Ca 0.21 -0.06 -0.09 0.00 0.13 0.00 0.00 57.88 58.07 2k0y h LEU 77 Cb 0.13 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.16 2k0y h LEU 77 CO -0.16 0.29 -0.41 0.40 -0.13 0.00 0.00 178.44 178.44 2k0y h ILE 78 N 0.34 1.09 -0.47 4.05 2.04 -0.55 0.90 117.51 124.91 2k0y h ILE 78 Ca 0.10 -1.51 -0.12 0.00 1.00 0.00 0.00 64.86 64.32 2k0y h ILE 78 Cb 0.03 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 2k0y h ILE 78 CO -0.02 0.40 -0.19 0.78 0.00 0.00 0.00 178.15 179.12 2k0y h ASN 79 N 0.00 0.96 -0.50 1.72 -0.26 -0.05 0.22 115.58 117.67 2k0y h ASN 79 Ca -0.00 -0.35 -0.12 0.00 -0.56 0.00 0.00 56.30 55.27 2k0y h ASN 79 Cb 0.83 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.81 2k0y h ASN 79 CO 0.05 1.12 -0.15 1.23 -1.06 0.00 0.00 177.43 178.63 2k0y h GLY 80 N 0.91 1.08 1.00 2.83 0.00 -0.43 0.13 103.07 108.60 2k0y h GLY 80 Ca 0.11 -0.90 -0.08 0.00 0.00 0.00 0.00 47.33 46.47 2k0y h GLY 80 CO 0.06 0.82 -0.02 0.00 0.00 0.00 0.00 176.54 177.40 2k0y h ALA 81 N 0.94 0.63 0.00 3.60 0.00 -0.57 -2.34 119.26 121.52 2k0y h ALA 81 Ca 0.13 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2k0y h ALA 81 Cb 0.72 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k0y h ALA 81 CO 0.05 0.44 -0.37 -0.07 0.00 0.00 0.00 179.25 179.31 2k0y h LEU 82 N 0.68 0.00 -1.37 0.00 -0.00 -0.44 0.35 115.31 114.53 2k0y h LEU 82 Ca 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.97 2k0y h LEU 82 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.18 2k0y h LEU 82 CO 0.03 0.37 -0.02 0.00 -0.00 0.00 0.00 178.44 178.81 2k0y h ALA 83 N 1.63 1.49 0.00 1.53 0.00 -0.46 -2.79 119.26 120.66 2k0y h ALA 83 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2k0y h ALA 83 Cb 0.77 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2k0y h ALA 83 CO 0.05 0.37 -0.62 0.93 0.00 0.00 0.00 179.25 179.98 2k0y h GLU 84 N 0.38 0.00 -0.71 0.00 4.39 -0.91 -3.40 114.58 114.33 2k0y h GLU 84 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2k0y h GLU 84 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2k0y h GLU 84 CO 0.01 0.27 0.00 0.00 -1.16 0.00 0.00 179.01 178.13 2k0y n ALA 85 N -3.46 3.21 1.93 3.43 0.00 0.12 -5.11 120.51 120.63 2k0y n ALA 85 Ca -0.12 -1.09 0.16 0.00 0.00 0.00 0.00 53.44 52.38 2k0y n ALA 85 Cb 0.34 -1.06 0.89 0.00 0.00 0.00 0.00 19.45 19.62 2k0y n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50