#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 2.36 -0.20 3.04 0.00 -0.71 -5.02 121.76 121.24 2k0y s ALA 2 Ca 0.00 -1.25 -0.21 0.00 0.00 0.00 0.00 51.96 50.50 2k0y s ALA 2 Cb 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 2k0y s ALA 2 CO 0.00 0.55 0.64 -0.08 0.00 0.00 0.00 175.76 176.86 2k0y s THR 3 N -0.85 5.01 0.69 0.00 -1.32 -1.26 -4.90 115.64 113.01 2k0y s THR 3 Ca 0.13 1.20 -0.17 0.00 -1.21 0.00 0.00 61.69 61.64 2k0y s THR 3 Cb -0.10 -3.95 0.02 0.00 -1.51 0.00 0.00 72.50 66.95 2k0y s THR 3 CO 0.03 0.10 1.25 -0.22 -2.21 0.00 0.00 174.62 173.58 2k0y s LEU 4 N 1.95 3.45 -0.16 9.08 2.96 -1.26 -4.99 118.68 129.71 2k0y s LEU 4 Ca 0.29 2.50 -0.10 0.00 -0.22 0.00 0.00 54.13 56.60 2k0y s LEU 4 Cb -0.16 -4.61 -0.05 0.00 0.50 0.00 0.00 46.19 41.88 2k0y s LEU 4 CO 0.10 -2.15 0.18 -0.76 -1.32 0.00 0.00 176.35 172.40 2k0y s LEU 5 N -4.76 4.28 0.00 -0.68 1.43 -1.26 -5.01 118.68 112.69 2k0y s LEU 5 Ca 0.79 0.39 0.07 0.00 -1.03 0.00 0.00 54.13 54.34 2k0y s LEU 5 Cb -0.34 -2.17 0.07 0.00 0.03 0.00 0.00 46.19 43.78 2k0y s LEU 5 CO 0.42 0.23 0.55 0.35 0.23 0.00 0.00 176.35 178.14 2k0y n THR 6 N 3.02 0.00 -0.31 5.49 -2.24 -1.26 -4.89 114.28 114.08 2k0y n THR 6 Ca -0.16 -1.32 0.03 0.00 -2.27 0.00 0.00 64.05 60.33 2k0y n THR 6 Cb 0.53 -0.67 0.22 0.00 -2.10 0.00 0.00 70.33 68.31 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 0.06 1.09 -0.26 4.28 2.02 -1.98 0.46 112.91 118.57 2k0y h THR 7 Ca -0.19 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.63 2k0y h THR 7 Cb 0.85 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2k0y h THR 7 CO 0.26 0.20 0.17 -0.78 0.37 0.00 0.00 175.52 175.74 2k0y h ASP 8 N 1.07 0.30 -0.59 4.18 3.58 -1.94 0.12 116.42 123.13 2k0y h ASP 8 Ca 0.39 -0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.73 2k0y h ASP 8 Cb 0.16 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 2k0y h ASP 8 CO -0.14 0.22 -0.01 0.44 -2.88 0.00 0.00 179.24 176.87 2k0y h ASP 9 N 0.35 1.04 -0.34 2.28 5.19 -1.77 -2.58 116.42 120.60 2k0y h ASP 9 Ca 0.09 -0.30 -0.04 0.00 -0.62 0.00 0.00 57.03 56.17 2k0y h ASP 9 Cb -0.04 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.18 2k0y h ASP 9 CO -0.02 1.09 0.06 0.25 -3.12 0.00 0.00 179.24 177.50 2k0y h LEU 10 N 0.97 0.54 -0.21 1.55 5.85 -0.65 -1.53 115.31 121.82 2k0y h LEU 10 Ca 0.17 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.69 2k0y h LEU 10 Cb 0.57 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 2k0y h LEU 10 CO 0.03 0.65 -0.31 -0.09 -0.34 0.00 0.00 178.44 178.39 2k0y h ARG 11 N 0.40 -0.32 -0.50 1.25 2.43 -0.60 -0.58 114.38 116.45 2k0y h ARG 11 Ca 0.10 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 2k0y h ARG 11 Cb 0.34 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 2k0y h ARG 11 CO 0.01 -0.22 0.21 -0.09 -1.51 0.00 0.00 179.97 178.37 2k0y h ARG 12 N -0.34 0.39 -0.82 0.20 2.43 -1.26 -1.39 114.38 113.59 2k0y h ARG 12 Ca 0.12 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2k0y h ARG 12 Cb 0.53 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 2k0y h ARG 12 CO -0.40 0.26 0.41 0.00 -1.51 0.00 0.00 179.97 178.73 2k0y h ALA 13 N 1.31 1.05 -0.65 2.80 0.00 -0.50 0.13 119.26 123.40 2k0y h ALA 13 Ca 0.23 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2k0y h ALA 13 Cb 0.21 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2k0y h ALA 13 CO -0.21 0.60 0.17 -0.07 0.00 0.00 0.00 179.25 179.74 2k0y h LEU 14 N 1.15 0.95 -0.14 0.00 4.07 -0.61 -1.01 115.31 119.72 2k0y h LEU 14 Ca 0.28 -0.18 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 2k0y h LEU 14 Cb 0.09 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.58 2k0y h LEU 14 CO -0.04 0.91 -0.01 0.58 -1.08 0.00 0.00 178.44 178.80 2k0y h VAL 15 N 0.97 1.27 -0.98 1.22 2.07 -0.43 -2.21 116.25 118.16 2k0y h VAL 15 Ca 0.21 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.86 2k0y h VAL 15 Cb 0.33 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 2k0y h VAL 15 CO -0.00 0.26 0.65 -0.33 0.02 0.00 0.00 177.57 178.17 2k0y h GLU 16 N -0.02 1.25 0.00 1.57 5.08 -0.62 -0.99 114.58 120.85 2k0y h GLU 16 Ca 0.04 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2k0y h GLU 16 Cb 0.41 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2k0y h GLU 16 CO 0.01 0.83 0.00 0.77 -1.00 0.00 0.00 179.01 179.62 2k0y h SER 17 N 1.28 0.00 0.25 1.42 0.02 -1.10 -1.04 113.55 114.38 2k0y h SER 17 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2k0y h SER 17 Cb -0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2k0y h SER 17 CO -0.10 0.00 -0.41 0.00 -1.14 0.00 0.00 176.83 175.18 2k0y n ALA 18 N -1.84 3.41 0.00 3.77 0.00 -0.46 -4.79 120.51 120.59 2k0y n ALA 18 Ca 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2k0y n ALA 18 Cb 0.35 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.41 2.14 3.15 0.00 0.00 -0.40 -4.03 105.19 107.46 2k0y n GLY 19 Ca 0.09 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2k0y n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0y s GLU 20 N 0.00 0.65 0.00 1.61 2.56 -1.26 -4.45 118.70 117.81 2k0y s GLU 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.97 54.97 2k0y s GLU 20 Cb 0.00 0.13 0.00 0.00 2.00 0.00 0.00 34.13 36.26 2k0y s GLU 20 CO 0.00 -1.01 0.00 2.41 -0.56 0.00 0.00 175.26 176.10 2k0y n THR 21 N 4.66 0.00 -0.02 -1.70 -1.04 -1.26 -5.03 114.28 109.89 2k0y n THR 21 Ca 0.09 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.04 2k0y n THR 21 Cb 0.57 -0.33 -0.02 0.00 -1.82 0.00 0.00 70.33 68.73 2k0y n THR 21 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2k0y n ASP 22 N -0.47 0.81 0.00 8.00 2.03 -1.26 -5.02 116.55 120.64 2k0y n ASP 22 Ca 0.00 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.43 2k0y n ASP 22 Cb 0.00 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 2k0y n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k0y n GLY 23 N 2.72 3.10 7.00 0.27 0.00 -1.26 -4.95 105.19 112.08 2k0y n GLY 23 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.53 0.00 -3.24 2.61 -2.24 -1.26 -3.91 114.28 104.71 2k0y n THR 24 Ca 0.00 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.33 2k0y n THR 24 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 2k0y n THR 24 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2k0y s ASP 25 N -4.00 7.11 0.00 3.42 1.11 -1.26 -4.74 116.67 118.30 2k0y s ASP 25 Ca 0.00 -3.18 0.22 0.00 0.18 0.00 0.00 52.55 49.78 2k0y s ASP 25 Cb 0.00 -2.26 0.11 0.00 1.07 0.00 0.00 42.92 41.84 2k0y s ASP 25 CO 0.00 -0.49 1.15 -0.11 1.18 0.00 0.00 175.17 176.90 2k0y n LEU 26 N 3.79 2.52 -4.77 1.23 7.94 -1.25 -4.94 117.00 121.52 2k0y n LEU 26 Ca 0.24 -0.91 -0.39 0.00 -1.11 0.00 0.00 56.01 53.85 2k0y n LEU 26 Cb 0.42 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.36 2k0y n LEU 26 CO 0.47 0.44 0.87 -0.44 -1.11 0.00 0.00 177.39 177.62 2k0y s SER 27 N -2.07 6.45 0.00 1.96 0.01 -1.26 -4.55 113.70 114.24 2k0y s SER 27 Ca 0.23 2.43 0.00 0.00 1.31 0.00 0.00 55.95 59.92 2k0y s SER 27 Cb 0.18 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2k0y s SER 27 CO 0.38 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2k0y n GLY 28 N 0.65 -1.87 3.42 3.44 0.00 -1.26 -4.81 105.19 104.77 2k0y n GLY 28 Ca 0.04 -2.00 -0.44 0.00 0.00 0.00 0.00 46.02 43.62 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 6.18 -0.11 1.61 2.15 -1.26 -4.72 116.67 116.51 2k0y s ASP 29 Ca 0.00 -1.07 0.18 0.00 0.43 0.00 0.00 52.55 52.08 2k0y s ASP 29 Cb 0.00 -2.23 0.70 0.00 -0.30 0.00 0.00 42.92 41.10 2k0y s ASP 29 CO 0.00 -0.72 1.61 2.22 -0.17 0.00 0.00 175.17 178.12 2k0y n PHE 30 N 5.60 1.44 0.09 -5.34 -1.74 -1.26 -4.59 117.46 111.66 2k0y n PHE 30 Ca -0.10 -0.62 0.20 0.00 -0.56 0.00 0.00 57.45 56.38 2k0y n PHE 30 Cb 0.45 -0.25 0.74 0.00 1.52 0.00 0.00 39.48 41.95 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 3.93 0.00 0.00 5.98 3.38 -1.93 0.20 115.31 126.87 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 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 2k0y h LEU 31 CO 0.23 0.00 -1.03 -0.67 0.09 0.00 0.00 178.44 177.06 2k0y n ASP 32 N -3.68 0.65 -4.63 -0.43 2.03 -1.26 -2.19 116.55 107.04 2k0y n ASP 32 Ca 0.07 0.05 -0.43 0.00 0.52 0.00 0.00 54.79 55.01 2k0y n ASP 32 Cb 0.63 0.67 -0.02 0.00 -0.72 0.00 0.00 41.12 41.67 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 -4.51 3.86 0.31 -2.67 1.43 0.70 -4.90 118.68 112.91 2k0y s LEU 33 Ca 0.02 1.07 -0.28 0.00 -1.03 0.00 0.00 54.13 53.90 2k0y s LEU 33 Cb 0.13 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.71 2k0y s LEU 33 CO 0.79 -1.05 1.14 -0.13 0.23 0.00 0.00 176.35 177.33 2k0y s ARG 34 N 4.06 4.48 0.26 1.70 0.52 -1.26 -4.29 118.95 124.41 2k0y s ARG 34 Ca 0.52 1.86 -0.05 0.00 -0.52 0.00 0.00 55.73 57.54 2k0y s ARG 34 Cb -0.14 -3.05 0.30 0.00 0.52 0.00 0.00 34.95 32.58 2k0y s ARG 34 CO 0.22 0.05 1.91 0.74 0.02 0.00 0.00 175.30 178.24 2k0y h PHE 35 N 3.48 1.18 -0.45 -0.53 0.04 -1.77 -0.32 116.94 118.56 2k0y h PHE 35 Ca -0.47 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.39 2k0y h PHE 35 Cb 1.22 -0.39 -0.02 0.00 2.20 0.00 0.00 35.95 38.95 2k0y h PHE 35 CO 0.58 0.78 0.31 1.49 -0.60 0.00 0.00 178.31 180.86 2k0y h GLU 36 N 1.24 0.20 0.10 1.51 4.81 -1.80 0.21 114.58 120.84 2k0y h GLU 36 Ca 0.33 -0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 59.26 2k0y h GLU 36 Cb -0.07 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2k0y h GLU 36 CO -0.06 0.13 -1.37 0.22 -0.73 0.00 0.00 179.01 177.19 2k0y h ASP 37 N 0.20 0.32 -0.39 1.04 3.58 -1.42 -3.29 116.42 116.47 2k0y h ASP 37 Ca 0.21 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.26 2k0y h ASP 37 Cb 0.56 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2k0y h ASP 37 CO -0.04 1.33 0.00 2.30 -2.88 0.00 0.00 179.24 179.95 2k0y n ILE 38 N -3.44 0.52 -1.64 2.25 -5.35 -0.75 -4.89 119.36 106.07 2k0y n ILE 38 Ca -0.12 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 2k0y n ILE 38 Cb 1.02 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 39.20 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 1.14 0.65 3.33 3.28 0.00 -0.75 -4.96 105.19 107.89 2k0y n GLY 39 Ca 0.14 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.00 2.96 0.39 1.61 1.51 0.65 -5.02 117.35 117.46 2k0y s TYR 40 Ca 0.00 -0.84 -0.14 0.00 -1.01 0.00 0.00 57.07 55.08 2k0y s TYR 40 Cb 0.00 -2.08 -0.08 0.00 -0.11 0.00 0.00 41.96 39.69 2k0y s TYR 40 CO 0.00 -0.48 0.80 -0.51 -1.11 0.00 0.00 175.55 174.26 2k0y s ASP 41 N 1.32 6.66 0.52 2.29 1.01 -1.26 -3.62 116.67 123.59 2k0y s ASP 41 Ca 0.04 1.29 0.25 0.00 0.71 0.00 0.00 52.55 54.84 2k0y s ASP 41 Cb -0.14 -2.38 1.37 0.00 1.01 0.00 0.00 42.92 42.77 2k0y s ASP 41 CO -0.02 -0.35 1.98 0.77 0.21 0.00 0.00 175.17 177.75 2k0y h SER 42 N 1.62 0.04 0.18 0.27 4.64 -1.95 0.10 113.55 118.45 2k0y h SER 42 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 2k0y h SER 42 Cb 1.18 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2k0y h SER 42 CO 0.64 0.02 -0.09 0.25 -0.87 0.00 0.00 176.83 176.78 2k0y h LEU 43 N 0.04 -0.20 -1.41 5.97 6.46 -1.92 0.18 115.31 124.43 2k0y h LEU 43 Ca 0.28 -0.20 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 2k0y h LEU 43 Cb 1.07 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.04 2k0y h LEU 43 CO -0.01 0.09 -0.02 0.00 -0.62 0.00 0.00 178.44 177.88 2k0y h ALA 44 N 0.26 1.52 -0.26 1.25 0.00 -1.72 -0.07 119.26 120.25 2k0y h ALA 44 Ca -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2k0y h ALA 44 Cb 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2k0y h ALA 44 CO 0.04 0.35 0.10 1.25 0.00 0.00 0.00 179.25 180.98 2k0y h LEU 45 N 0.36 0.36 -1.27 0.00 5.85 -0.59 -0.26 115.31 119.75 2k0y h LEU 45 Ca 0.08 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 2k0y h LEU 45 Cb 0.27 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2k0y h LEU 45 CO 0.01 0.44 -0.02 0.24 -0.34 0.00 0.00 178.44 178.77 2k0y h MET 46 N 0.26 0.47 -0.29 1.25 2.86 0.03 0.40 114.93 119.90 2k0y h MET 46 Ca 0.09 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 2k0y h MET 46 Cb 0.20 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2k0y h MET 46 CO -0.01 0.51 0.03 1.49 1.06 0.00 0.00 176.91 179.99 2k0y h GLU 47 N 0.45 0.42 0.44 1.72 4.57 -0.59 0.53 114.58 122.12 2k0y h GLU 47 Ca 0.10 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2k0y h GLU 47 Cb 0.33 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2k0y h GLU 47 CO 0.01 0.43 -0.21 1.15 -1.18 0.00 0.00 179.01 179.21 2k0y h THR 48 N 0.42 0.00 -0.17 0.32 2.02 0.20 -3.13 112.91 112.56 2k0y h THR 48 Ca 0.10 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 66.98 2k0y h THR 48 Cb 0.23 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 2k0y h THR 48 CO 0.00 0.00 0.20 0.00 0.37 0.00 0.00 175.52 176.09 2k0y h ALA 49 N -1.38 1.77 -0.69 6.16 0.00 -0.92 -0.25 119.26 123.96 2k0y h ALA 49 Ca -0.06 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2k0y h ALA 49 Cb 0.45 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2k0y h ALA 49 CO 0.10 -0.29 0.40 0.00 0.00 0.00 0.00 179.25 179.46 2k0y h ALA 50 N 1.76 0.91 -0.45 0.00 0.00 -0.84 0.13 119.26 120.78 2k0y h ALA 50 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2k0y h ALA 50 Cb 0.48 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2k0y h ALA 50 CO -0.00 0.12 -0.10 0.00 0.00 0.00 0.00 179.25 179.27 2k0y h ARG 51 N 0.76 0.80 -0.53 0.00 3.08 -1.04 -1.06 114.38 116.39 2k0y h ARG 51 Ca 0.30 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 2k0y h ARG 51 Cb 0.12 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 2k0y h ARG 51 CO -0.15 0.87 0.24 -0.07 -1.07 0.00 0.00 179.97 179.79 2k0y h LEU 52 N 0.73 0.71 -0.27 3.04 -0.00 -1.27 0.39 115.31 118.63 2k0y h LEU 52 Ca 0.12 -0.14 0.03 0.00 -0.00 0.00 0.00 57.88 57.89 2k0y h LEU 52 Cb 0.58 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 41.03 2k0y h LEU 52 CO 0.04 0.65 0.10 -0.33 -0.00 0.00 0.00 178.44 178.90 2k0y h GLU 53 N 0.71 0.22 0.33 1.13 5.08 -0.64 -0.81 114.58 120.60 2k0y h GLU 53 Ca 0.18 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2k0y h GLU 53 Cb 0.14 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2k0y h GLU 53 CO -0.02 0.15 -0.16 0.77 -1.00 0.00 0.00 179.01 178.75 2k0y h SER 54 N 0.23 -0.38 -0.67 1.42 0.02 -0.85 -0.86 113.55 112.46 2k0y h SER 54 Ca 0.12 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2k0y h SER 54 Cb 0.07 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 2k0y h SER 54 CO -0.11 -0.14 0.32 -0.09 -1.14 0.00 0.00 176.83 175.67 2k0y h ARG 55 N -0.62 1.00 -0.02 3.45 2.43 -0.16 -2.82 114.38 117.63 2k0y h ARG 55 Ca -0.05 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2k0y h ARG 55 Cb 0.45 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2k0y h ARG 55 CO 0.08 0.78 -0.11 0.66 -1.51 0.00 0.00 179.97 179.87 2k0y n TYR 56 N -4.32 0.00 -3.26 2.20 4.01 -0.32 -4.98 117.16 110.49 2k0y n TYR 56 Ca 0.06 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.65 2k0y n TYR 56 Cb 0.15 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.25 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 1.23 -0.44 3.36 2.72 0.00 -0.45 -4.88 105.19 106.73 2k0y n GLY 57 Ca 0.11 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.33 0.23 -0.01 1.61 0.11 -0.46 -5.05 120.40 113.50 2k0y s VAL 58 Ca 0.09 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.14 2k0y s VAL 58 Cb -0.01 -2.44 0.01 0.00 -1.53 0.00 0.00 36.38 32.40 2k0y s VAL 58 CO 0.67 0.00 -0.01 -0.94 -3.33 0.00 0.00 175.10 171.49 2k0y s SER 59 N -3.44 0.23 -0.11 3.54 1.04 -1.26 -4.51 113.70 109.18 2k0y s SER 59 Ca 0.34 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2k0y s SER 59 Cb 0.03 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 2k0y s SER 59 CO 0.21 -0.01 -0.12 -0.63 0.98 0.00 0.00 173.24 173.67 2k0y s ILE 60 N 0.24 3.15 0.08 -1.02 1.01 -1.26 -5.00 121.20 118.40 2k0y s ILE 60 Ca -0.02 -0.64 -0.31 0.00 0.00 0.00 0.00 60.65 59.68 2k0y s ILE 60 Cb -0.04 -2.31 -0.09 0.00 0.01 0.00 0.00 42.46 40.03 2k0y s ILE 60 CO -0.01 0.54 1.82 -2.84 0.00 0.00 0.00 174.94 174.46 2k0y s PRO 61 N 0.05 4.15 0.49 2.79 0.02 -1.26 -4.86 135.00 136.38 2k0y s PRO 61 Ca -0.04 2.52 0.23 0.00 0.02 0.00 0.00 61.00 63.73 2k0y s PRO 61 Cb -0.14 -3.78 1.29 0.00 0.02 0.00 0.00 34.50 31.88 2k0y s PRO 61 CO 0.04 -0.85 1.93 -0.44 -0.33 0.00 0.00 177.00 177.35 2k0y h ASP 62 N 9.17 0.15 -0.05 2.53 3.32 -1.99 -1.15 116.42 128.40 2k0y h ASP 62 Ca -0.46 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 2k0y h ASP 62 Cb 1.22 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 2k0y h ASP 62 CO 0.94 0.07 0.00 -0.78 -1.72 0.00 0.00 179.24 177.76 2k0y h ASP 63 N 0.16 0.09 0.33 6.45 3.58 -2.00 -3.13 116.42 121.90 2k0y h ASP 63 Ca 0.35 -0.28 -0.17 0.00 0.42 0.00 0.00 57.03 57.35 2k0y h ASP 63 Cb 1.15 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.16 2k0y h ASP 63 CO -0.06 0.35 -0.67 0.58 -2.88 0.00 0.00 179.24 176.56 2k0y h VAL 64 N -0.17 1.39 -0.09 2.25 2.07 -1.64 -2.94 116.25 117.12 2k0y h VAL 64 Ca 0.02 -2.09 0.03 0.00 0.82 0.00 0.00 66.70 65.47 2k0y h VAL 64 Cb 0.30 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2k0y h VAL 64 CO 0.00 0.62 0.12 0.00 0.02 0.00 0.00 177.57 178.33 2k0y h ALA 65 N 1.06 1.58 -0.14 1.67 0.00 -1.23 -0.03 119.26 122.17 2k0y h ALA 65 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k0y h ALA 65 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2k0y h ALA 65 CO 0.11 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2k0y n GLY 66 N -1.32 0.79 0.03 0.00 0.00 -1.12 -4.44 105.19 99.12 2k0y n GLY 66 Ca -0.01 -0.45 0.06 0.00 0.00 0.00 0.00 46.02 45.62 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 0.84 2.75 -2.58 1.61 1.74 -0.07 -4.93 116.66 116.02 2k0y n ARG 67 Ca 0.11 -0.06 -0.43 0.00 -0.77 0.00 0.00 57.85 56.69 2k0y n ARG 67 Cb 0.40 -1.10 -0.02 0.00 -1.02 0.00 0.00 32.46 30.72 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 -2.14 4.23 -0.08 1.55 -7.23 -0.92 -4.86 120.40 110.94 2k0y s VAL 68 Ca 0.05 1.29 0.10 0.00 -1.81 0.00 0.00 61.98 61.61 2k0y s VAL 68 Cb 0.10 -4.52 -0.24 0.00 0.56 0.00 0.00 36.38 32.28 2k0y s VAL 68 CO 0.50 -0.87 0.51 -0.67 -0.31 0.00 0.00 175.10 174.26 2k0y n ASP 69 N 7.76 0.99 -4.32 4.85 2.03 -1.26 -4.91 116.55 121.69 2k0y n ASP 69 Ca 0.13 0.31 -0.28 0.00 0.52 0.00 0.00 54.79 55.46 2k0y n ASP 69 Cb 0.48 -0.06 -0.14 0.00 -0.72 0.00 0.00 41.12 40.68 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 -2.57 1.98 0.42 5.18 -4.23 -1.26 -2.38 115.64 112.79 2k0y s THR 70 Ca -0.09 -1.37 0.13 0.00 -1.18 0.00 0.00 61.69 59.18 2k0y s THR 70 Cb 0.07 -1.71 0.33 0.00 1.34 0.00 0.00 72.50 72.53 2k0y s THR 70 CO 0.81 0.27 1.96 -0.65 -0.54 0.00 0.00 174.62 176.47 2k0y h PRO 71 N 4.70 0.44 -0.66 3.99 0.11 -1.73 -1.76 132.00 137.09 2k0y h PRO 71 Ca -0.46 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.75 2k0y h PRO 71 Cb 1.15 -0.10 -0.09 0.00 0.11 0.00 0.00 31.00 32.07 2k0y h PRO 71 CO 0.43 0.29 0.20 0.07 -0.21 0.00 0.00 178.00 178.78 2k0y h ARG 72 N 0.45 0.32 -0.37 1.05 0.11 -1.76 0.47 114.38 114.65 2k0y h ARG 72 Ca 0.31 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.34 2k0y h ARG 72 Cb 0.61 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.60 2k0y h ARG 72 CO -0.09 0.21 0.09 0.93 0.10 0.00 0.00 179.97 181.21 2k0y h GLU 73 N 0.33 0.60 -0.12 0.08 5.08 -1.63 -1.61 114.58 117.31 2k0y h GLU 73 Ca 0.35 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2k0y h GLU 73 Cb 0.52 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2k0y h GLU 73 CO -0.40 0.63 -0.04 1.25 -1.00 0.00 0.00 179.01 179.45 2k0y h LEU 74 N 0.46 0.24 0.09 1.33 7.12 -1.25 -2.32 115.31 120.99 2k0y h LEU 74 Ca 0.12 -0.39 0.01 0.00 0.13 0.00 0.00 57.88 57.74 2k0y h LEU 74 Cb 0.30 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.35 2k0y h LEU 74 CO 0.00 0.58 -0.10 0.25 -0.13 0.00 0.00 178.44 179.04 2k0y h LEU 75 N -0.09 -0.28 -1.15 2.25 5.85 -0.03 -1.03 115.31 120.83 2k0y h LEU 75 Ca 0.03 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2k0y h LEU 75 Cb 0.48 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 2k0y h LEU 75 CO 0.01 -0.16 0.58 -0.78 -0.34 0.00 0.00 178.44 177.75 2k0y h ASP 76 N -0.22 0.94 -0.02 1.25 3.58 -1.32 0.46 116.42 121.09 2k0y h ASP 76 Ca 0.01 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k0y h ASP 76 Cb 0.22 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 2k0y h ASP 76 CO -0.04 0.65 0.01 0.25 -2.88 0.00 0.00 179.24 177.22 2k0y h LEU 77 N 1.09 0.02 -0.77 2.28 7.12 -1.04 0.17 115.31 124.18 2k0y h LEU 77 Ca 0.35 -0.12 -0.11 0.00 0.13 0.00 0.00 57.88 58.13 2k0y h LEU 77 Cb 0.03 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.14 2k0y h LEU 77 CO -0.11 0.14 -0.20 0.40 -0.13 0.00 0.00 178.44 178.54 2k0y h ILE 78 N -0.10 1.27 -0.63 4.05 2.04 -0.40 -0.61 117.51 123.13 2k0y h ILE 78 Ca 0.01 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.57 2k0y h ILE 78 Cb 0.12 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2k0y h ILE 78 CO -0.00 0.43 0.31 0.78 0.00 0.00 0.00 178.15 179.66 2k0y h ASN 79 N 0.63 0.80 -0.15 1.72 -0.26 0.14 0.30 115.58 118.76 2k0y h ASN 79 Ca 0.09 -0.08 -0.14 0.00 -0.56 0.00 0.00 56.30 55.62 2k0y h ASN 79 Cb 0.68 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.73 2k0y h ASN 79 CO 0.05 0.68 -0.39 1.23 -1.06 0.00 0.00 177.43 177.94 2k0y h GLY 80 N 0.97 0.74 0.82 2.83 0.00 -0.03 -0.24 103.07 108.16 2k0y h GLY 80 Ca 0.22 -0.74 -0.09 0.00 0.00 0.00 0.00 47.33 46.72 2k0y h GLY 80 CO -0.03 0.67 -0.22 0.00 0.00 0.00 0.00 176.54 176.96 2k0y h ALA 81 N 1.00 0.28 0.00 3.60 0.00 -0.48 -3.06 119.26 120.59 2k0y h ALA 81 Ca 0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2k0y h ALA 81 Cb 0.92 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2k0y h ALA 81 CO 0.08 0.23 -0.02 -0.07 0.00 0.00 0.00 179.25 179.47 2k0y h LEU 82 N 0.14 0.00 -1.95 0.00 3.38 -0.34 -2.00 115.31 114.54 2k0y h LEU 82 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2k0y h LEU 82 Cb 0.78 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 2k0y h LEU 82 CO 0.05 0.02 -0.11 0.00 0.09 0.00 0.00 178.44 178.50 2k0y h ALA 83 N 1.98 1.53 -0.01 1.53 0.00 -0.93 -1.10 119.26 122.27 2k0y h ALA 83 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k0y h ALA 83 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2k0y h ALA 83 CO 0.00 0.13 -0.32 0.39 0.00 0.00 0.00 179.25 179.45 2k0y n GLU 84 N -3.98 0.94 -0.93 0.00 -0.58 -0.75 -4.05 120.64 111.29 2k0y n GLU 84 Ca -0.02 -0.63 -0.19 0.00 -0.42 0.00 0.00 57.16 55.89 2k0y n GLU 84 Cb 0.19 -1.49 0.12 0.00 -0.57 0.00 0.00 31.44 29.70 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 -0.48 4.93 0.74 0.62 0.00 -0.42 -5.10 120.51 120.82 2k0y n ALA 85 Ca 0.11 -2.19 0.09 0.00 0.00 0.00 0.00 53.44 51.45 2k0y n ALA 85 Cb 0.38 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.54 2k0y n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50