#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 2.65 0.01 -5.12 0.00 -1.26 -4.92 121.76 113.12 2k0y s ALA 2 Ca 0.00 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 2k0y s ALA 2 Cb 0.00 -4.09 -0.05 0.00 0.00 0.00 0.00 23.12 18.98 2k0y s ALA 2 CO 0.00 -2.94 1.34 -0.08 0.00 0.00 0.00 175.76 174.08 2k0y s THR 3 N 8.27 3.81 0.66 0.00 -1.32 -1.26 -4.90 115.64 120.90 2k0y s THR 3 Ca 0.93 1.22 -0.15 0.00 -1.21 0.00 0.00 61.69 62.47 2k0y s THR 3 Cb -0.28 -3.78 0.00 0.00 -1.51 0.00 0.00 72.50 66.93 2k0y s THR 3 CO 0.33 0.02 1.13 -0.22 -2.21 0.00 0.00 174.62 173.67 2k0y s LEU 4 N 2.06 3.41 -0.23 9.08 2.96 -1.26 -5.01 118.68 129.69 2k0y s LEU 4 Ca 0.62 2.07 -0.09 0.00 -0.22 0.00 0.00 54.13 56.51 2k0y s LEU 4 Cb -0.30 -4.56 -0.04 0.00 0.50 0.00 0.00 46.19 41.78 2k0y s LEU 4 CO 0.26 -1.69 0.12 -0.76 -1.32 0.00 0.00 176.35 172.96 2k0y s LEU 5 N -4.81 3.87 0.00 -0.68 1.43 -1.26 -4.99 118.68 112.25 2k0y s LEU 5 Ca 0.69 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 2k0y s LEU 5 Cb -0.22 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 43.98 2k0y s LEU 5 CO 0.41 0.06 0.05 0.35 0.23 0.00 0.00 176.35 177.45 2k0y n THR 6 N 4.33 0.00 -0.05 5.49 -2.24 -1.26 -4.88 114.28 115.66 2k0y n THR 6 Ca -0.16 -0.17 -0.08 0.00 -2.27 0.00 0.00 64.05 61.37 2k0y n THR 6 Cb 0.52 -0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 67.98 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 0.22 0.81 -0.70 4.28 2.02 -1.98 0.12 112.91 117.68 2k0y h THR 7 Ca -0.03 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.17 2k0y h THR 7 Cb 0.11 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 2k0y h THR 7 CO 0.04 0.01 0.43 -0.78 0.37 0.00 0.00 175.52 175.59 2k0y h ASP 8 N 0.05 0.70 -0.34 4.18 1.82 -1.94 0.47 116.42 121.37 2k0y h ASP 8 Ca 0.11 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.67 2k0y h ASP 8 Cb 0.15 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 2k0y h ASP 8 CO -0.20 0.48 -0.14 0.44 -1.61 0.00 0.00 179.24 178.21 2k0y h ASP 9 N 0.84 0.71 -0.51 2.28 3.32 -1.84 -3.13 116.42 118.09 2k0y h ASP 9 Ca 0.29 -0.40 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 2k0y h ASP 9 Cb 0.05 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2k0y h ASP 9 CO -0.12 0.94 0.04 0.25 -1.72 0.00 0.00 179.24 178.63 2k0y h LEU 10 N 0.46 0.88 -0.30 1.55 5.85 -0.23 -2.65 115.31 120.87 2k0y h LEU 10 Ca 0.08 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.65 2k0y h LEU 10 Cb 0.67 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 2k0y h LEU 10 CO 0.05 0.92 -0.22 -0.09 -0.34 0.00 0.00 178.44 178.75 2k0y h ARG 11 N 0.86 -0.19 -0.76 1.25 2.43 -0.87 -2.28 114.38 114.81 2k0y h ARG 11 Ca 0.17 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.40 2k0y h ARG 11 Cb 0.45 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.99 2k0y h ARG 11 CO 0.02 -0.13 0.47 -0.09 -1.51 0.00 0.00 179.97 178.72 2k0y h ARG 12 N -0.20 0.85 -0.79 0.20 2.43 -1.45 -1.84 114.38 113.59 2k0y h ARG 12 Ca 0.16 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2k0y h ARG 12 Cb 0.44 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 2k0y h ARG 12 CO -0.42 0.56 0.47 0.00 -1.51 0.00 0.00 179.97 179.07 2k0y h ALA 13 N 1.35 1.35 -0.53 2.80 0.00 -1.31 0.15 119.26 123.07 2k0y h ALA 13 Ca 0.32 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2k0y h ALA 13 Cb 0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2k0y h ALA 13 CO -0.15 0.56 0.03 -0.07 0.00 0.00 0.00 179.25 179.62 2k0y h LEU 14 N 1.08 0.89 -0.00 0.00 3.38 -0.97 -1.88 115.31 117.81 2k0y h LEU 14 Ca 0.28 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k0y h LEU 14 Cb -0.04 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 2k0y h LEU 14 CO -0.05 0.96 0.00 0.58 0.09 0.00 0.00 178.44 180.02 2k0y h VAL 15 N 0.79 1.06 -0.53 1.22 2.07 -0.35 -1.12 116.25 119.39 2k0y h VAL 15 Ca 0.15 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.53 2k0y h VAL 15 Cb 0.48 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2k0y h VAL 15 CO 0.02 0.05 0.28 -0.33 0.02 0.00 0.00 177.57 177.61 2k0y h GLU 16 N -0.08 0.53 0.00 1.57 4.39 -0.72 -1.78 114.58 118.50 2k0y h GLU 16 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2k0y h GLU 16 Cb 0.08 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2k0y h GLU 16 CO -0.00 0.35 0.00 0.77 -1.16 0.00 0.00 179.01 178.97 2k0y h SER 17 N 0.54 0.00 0.82 1.42 0.02 -1.19 -2.18 113.55 112.98 2k0y h SER 17 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2k0y h SER 17 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2k0y h SER 17 CO -0.15 0.00 -0.52 0.00 -1.14 0.00 0.00 176.83 175.02 2k0y n ALA 18 N -2.06 3.00 0.00 3.77 0.00 -0.44 -4.89 120.51 119.89 2k0y n ALA 18 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2k0y n ALA 18 Cb 0.41 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.39 2.03 2.75 0.00 0.00 -0.74 -4.66 105.19 105.95 2k0y n GLY 19 Ca 0.04 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 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 0.51 -0.11 1.61 2.56 -1.26 -4.78 118.70 117.23 2k0y s GLU 20 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.97 55.04 2k0y s GLU 20 Cb 0.00 -1.11 -0.02 0.00 2.00 0.00 0.00 34.13 35.00 2k0y s GLU 20 CO 0.00 -0.37 -0.13 0.99 -0.56 0.00 0.00 175.26 175.19 2k0y s THR 21 N 1.99 3.11 0.31 -1.70 2.01 -1.26 -4.97 115.64 115.12 2k0y s THR 21 Ca 0.04 -0.66 0.28 0.00 0.31 0.00 0.00 61.69 61.66 2k0y s THR 21 Cb -0.13 -2.28 0.30 0.00 0.01 0.00 0.00 72.50 70.40 2k0y s THR 21 CO -0.06 0.54 2.01 0.44 -0.69 0.00 0.00 174.62 176.87 2k0y h ASP 22 N 6.28 0.00 0.00 3.53 5.19 -1.98 -3.47 116.42 125.97 2k0y h ASP 22 Ca -0.32 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 2k0y h ASP 22 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 2k0y h ASP 22 CO 0.54 0.13 0.00 0.61 -3.12 0.00 0.00 179.24 177.40 2k0y n GLY 23 N -0.37 3.49 3.25 2.75 0.00 -1.26 -4.84 105.19 108.21 2k0y n GLY 23 Ca -0.01 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 -1.17 -3.32 2.61 -2.24 -1.26 -1.08 114.28 107.81 2k0y n THR 24 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 2k0y n THR 24 Cb 0.00 -2.14 0.04 0.00 -2.10 0.00 0.00 70.33 66.13 2k0y n THR 24 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2k0y n ASP 25 N -2.31 -5.65 -0.02 3.42 2.03 -1.26 -4.89 116.55 107.88 2k0y n ASP 25 Ca -0.04 -0.43 0.14 0.00 0.52 0.00 0.00 54.79 54.98 2k0y n ASP 25 Cb 0.56 -4.54 0.55 0.00 -0.72 0.00 0.00 41.12 36.98 2k0y n ASP 25 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k0y n LEU 26 N -4.30 0.17 -4.70 -2.67 4.32 -0.24 -4.74 117.00 104.84 2k0y n LEU 26 Ca -0.05 0.31 -0.42 0.00 -0.02 0.00 0.00 56.01 55.83 2k0y n LEU 26 Cb 0.58 -0.38 -0.03 0.00 -1.62 0.00 0.00 43.42 41.97 2k0y n LEU 26 CO 0.56 0.04 1.16 -0.44 -1.22 0.00 0.00 177.39 177.49 2k0y s SER 27 N -2.89 6.75 0.27 -1.43 0.01 -1.26 -4.55 113.70 110.60 2k0y s SER 27 Ca 0.17 2.35 0.00 0.00 1.31 0.00 0.00 55.95 59.78 2k0y s SER 27 Cb 0.19 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2k0y s SER 27 CO 0.55 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2k0y n GLY 28 N 3.68 0.83 3.07 3.44 0.00 -1.26 -4.79 105.19 110.16 2k0y n GLY 28 Ca 0.13 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 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 3.44 -0.13 1.61 2.15 -1.26 -4.50 116.67 113.98 2k0y s ASP 29 Ca 0.00 -0.86 0.16 0.00 0.43 0.00 0.00 52.55 52.28 2k0y s ASP 29 Cb 0.00 -1.40 0.30 0.00 -0.30 0.00 0.00 42.92 41.52 2k0y s ASP 29 CO 0.00 -0.09 1.15 2.22 -0.17 0.00 0.00 175.17 178.29 2k0y n PHE 30 N 4.61 0.00 0.32 -5.34 -1.74 -1.26 -4.82 117.46 109.23 2k0y n PHE 30 Ca -0.17 -1.02 0.14 0.00 -0.56 0.00 0.00 57.45 55.84 2k0y n PHE 30 Cb 0.47 -0.16 0.73 0.00 1.52 0.00 0.00 39.48 42.04 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 0.22 0.00 0.00 5.98 3.38 -1.97 0.12 115.31 123.04 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 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2k0y h LEU 31 CO 0.00 0.00 -1.28 0.47 0.09 0.00 0.00 178.44 177.73 2k0y n ASP 32 N -2.78 0.60 -4.67 -0.43 9.92 -1.26 -3.76 116.55 114.17 2k0y n ASP 32 Ca -0.02 0.21 -0.43 0.00 -0.53 0.00 0.00 54.79 54.03 2k0y n ASP 32 Cb 0.40 0.89 -0.02 0.00 -0.64 0.00 0.00 41.12 41.75 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 -5.05 4.16 0.37 0.64 2.01 0.40 -4.95 118.68 116.26 2k0y s LEU 33 Ca -0.02 1.43 -0.24 0.00 0.01 0.00 0.00 54.13 55.30 2k0y s LEU 33 Cb 0.11 -3.53 -0.10 0.00 0.01 0.00 0.00 46.19 42.68 2k0y s LEU 33 CO 0.82 -0.57 0.99 -0.13 1.01 0.00 0.00 176.35 178.47 2k0y s ARG 34 N 2.70 4.35 0.19 1.70 0.52 -1.26 -4.28 118.95 122.87 2k0y s ARG 34 Ca 0.45 1.39 -0.10 0.00 -0.52 0.00 0.00 55.73 56.94 2k0y s ARG 34 Cb -0.16 -2.60 0.12 0.00 0.52 0.00 0.00 34.95 32.83 2k0y s ARG 34 CO 0.11 0.05 1.80 0.74 0.02 0.00 0.00 175.30 178.01 2k0y h PHE 35 N 2.70 0.98 -0.92 -0.53 0.04 -1.79 -0.74 116.94 116.68 2k0y h PHE 35 Ca -0.48 -0.04 0.10 0.00 2.80 0.00 0.00 57.97 60.35 2k0y h PHE 35 Cb 1.20 -0.31 -0.07 0.00 2.20 0.00 0.00 35.95 38.97 2k0y h PHE 35 CO 0.60 0.71 0.59 1.49 -0.60 0.00 0.00 178.31 181.11 2k0y h GLU 36 N 0.97 0.91 0.00 1.51 4.81 -1.82 0.46 114.58 121.42 2k0y h GLU 36 Ca 0.24 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2k0y h GLU 36 Cb 0.08 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2k0y h GLU 36 CO -0.04 0.60 -0.27 0.22 -0.73 0.00 0.00 179.01 178.80 2k0y h ASP 37 N 0.94 0.00 -0.42 1.04 3.58 -1.51 -2.57 116.42 117.48 2k0y h ASP 37 Ca 0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.88 2k0y h ASP 37 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2k0y h ASP 37 CO -0.19 0.26 0.00 2.30 -2.88 0.00 0.00 179.24 178.73 2k0y n ILE 38 N -3.16 1.05 -0.84 2.25 -5.35 -0.42 -4.88 119.36 108.02 2k0y n ILE 38 Ca 0.03 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 2k0y n ILE 38 Cb 0.64 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 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 0.90 0.69 3.72 3.28 0.00 -0.97 -4.88 105.19 107.93 2k0y n GLY 39 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.52 3.70 0.21 1.61 1.51 0.09 -5.00 117.35 116.96 2k0y s TYR 40 Ca 0.00 1.62 -0.23 0.00 -1.01 0.00 0.00 57.07 57.44 2k0y s TYR 40 Cb 0.00 -3.00 -0.08 0.00 -0.11 0.00 0.00 41.96 38.76 2k0y s TYR 40 CO 0.00 0.10 0.78 -0.51 -1.11 0.00 0.00 175.55 174.81 2k0y s ASP 41 N 0.56 7.25 0.48 2.29 1.01 -1.26 -3.90 116.67 123.10 2k0y s ASP 41 Ca 0.46 1.58 0.21 0.00 0.71 0.00 0.00 52.55 55.52 2k0y s ASP 41 Cb -0.21 -2.48 1.25 0.00 1.01 0.00 0.00 42.92 42.49 2k0y s ASP 41 CO 0.26 0.10 1.95 0.77 0.21 0.00 0.00 175.17 178.46 2k0y h SER 42 N 3.79 0.18 -0.56 0.27 4.64 -1.95 -0.71 113.55 119.20 2k0y h SER 42 Ca -0.47 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.80 2k0y h SER 42 Cb 1.20 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 2k0y h SER 42 CO 0.65 0.09 0.13 0.25 -0.87 0.00 0.00 176.83 177.09 2k0y h LEU 43 N 0.19 0.86 -1.01 5.97 5.85 -1.96 0.27 115.31 125.48 2k0y h LEU 43 Ca 0.33 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 2k0y h LEU 43 Cb 1.01 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 2k0y h LEU 43 CO -0.06 0.88 0.03 0.00 -0.34 0.00 0.00 178.44 178.94 2k0y h ALA 44 N 1.02 1.19 -0.36 1.25 0.00 -1.54 0.87 119.26 121.69 2k0y h ALA 44 Ca 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2k0y h ALA 44 Cb 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2k0y h ALA 44 CO 0.00 0.53 0.12 1.25 0.00 0.00 0.00 179.25 181.16 2k0y h LEU 45 N 0.69 0.53 -1.05 0.00 5.85 -0.68 -1.18 115.31 119.48 2k0y h LEU 45 Ca 0.14 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2k0y h LEU 45 Cb 0.39 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2k0y h LEU 45 CO 0.01 0.59 0.37 0.24 -0.34 0.00 0.00 178.44 179.31 2k0y h MET 46 N 0.44 1.04 -0.49 1.25 2.86 0.02 -0.86 114.93 119.19 2k0y h MET 46 Ca 0.12 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2k0y h MET 46 Cb 0.24 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2k0y h MET 46 CO -0.00 0.79 0.27 1.49 1.06 0.00 0.00 176.91 180.52 2k0y h GLU 47 N 1.04 0.67 0.50 1.72 4.57 -0.50 0.52 114.58 123.10 2k0y h GLU 47 Ca 0.26 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 2k0y h GLU 47 Cb 0.08 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 2k0y h GLU 47 CO -0.04 0.50 -0.24 1.15 -1.18 0.00 0.00 179.01 179.20 2k0y h THR 48 N 0.68 0.34 -0.73 0.32 2.02 -0.19 0.46 112.91 115.81 2k0y h THR 48 Ca 0.18 -0.45 0.09 0.00 0.77 0.00 0.00 66.41 66.99 2k0y h THR 48 Cb 0.02 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 66.84 2k0y h THR 48 CO -0.03 0.05 0.39 0.00 0.37 0.00 0.00 175.52 176.30 2k0y h ALA 49 N -0.74 1.02 -0.52 6.16 0.00 -0.96 -0.78 119.26 123.43 2k0y h ALA 49 Ca -0.07 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2k0y h ALA 49 Cb 0.60 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2k0y h ALA 49 CO 0.11 0.00 0.32 0.00 0.00 0.00 0.00 179.25 179.69 2k0y h ALA 50 N 1.42 0.67 -0.50 0.00 0.00 0.31 0.41 119.26 121.58 2k0y h ALA 50 Ca 0.35 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 2k0y h ALA 50 Cb 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2k0y h ALA 50 CO -0.25 0.04 -0.08 0.00 0.00 0.00 0.00 179.25 178.96 2k0y h ARG 51 N 0.64 0.89 -0.63 0.00 3.08 -0.40 -0.60 114.38 117.36 2k0y h ARG 51 Ca 0.21 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 2k0y h ARG 51 Cb 0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 2k0y h ARG 51 CO -0.09 0.94 0.19 -0.07 -1.07 0.00 0.00 179.97 179.87 2k0y h LEU 52 N 0.81 0.89 0.32 3.04 3.38 -0.37 0.10 115.31 123.47 2k0y h LEU 52 Ca 0.14 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k0y h LEU 52 Cb 0.59 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2k0y h LEU 52 CO 0.04 0.84 -0.27 -0.33 0.09 0.00 0.00 178.44 178.80 2k0y h GLU 53 N 0.92 -0.58 -0.75 1.13 5.08 0.31 0.21 114.58 120.90 2k0y h GLU 53 Ca 0.21 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2k0y h GLU 53 Cb 0.27 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2k0y h GLU 53 CO -0.01 -0.39 0.42 0.66 -1.00 0.00 0.00 179.01 178.70 2k0y h SER 54 N -0.61 0.92 -0.12 1.42 4.64 -0.68 0.34 113.55 119.47 2k0y h SER 54 Ca -0.02 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.17 2k0y h SER 54 Cb 0.54 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2k0y h SER 54 CO -0.03 0.73 -0.19 -0.09 -0.87 0.00 0.00 176.83 176.38 2k0y h ARG 55 N 1.05 0.34 0.00 4.77 2.43 -0.65 -3.37 114.38 118.94 2k0y h ARG 55 Ca 0.27 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2k0y h ARG 55 Cb 0.00 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2k0y h ARG 55 CO -0.05 0.79 -1.31 0.66 -1.51 0.00 0.00 179.97 178.55 2k0y n TYR 56 N -4.52 0.00 -2.08 2.20 4.01 0.05 -4.98 117.16 111.83 2k0y n TYR 56 Ca -0.07 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2k0y n TYR 56 Cb 0.40 -0.18 0.00 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 1.42 0.44 3.80 2.72 0.00 0.12 -5.03 105.19 108.66 2k0y n GLY 57 Ca 0.01 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.17 5.31 -0.48 1.61 0.11 -1.14 -5.06 120.40 118.60 2k0y s VAL 58 Ca 0.00 0.47 -0.17 0.00 -2.93 0.00 0.00 61.98 59.35 2k0y s VAL 58 Cb -0.00 -3.56 0.06 0.00 -1.53 0.00 0.00 36.38 31.34 2k0y s VAL 58 CO 0.00 0.51 0.51 -0.44 -3.33 0.00 0.00 175.10 172.35 2k0y s SER 59 N -0.35 6.19 -0.30 3.54 0.01 -1.26 -4.42 113.70 117.11 2k0y s SER 59 Ca 0.17 -1.03 -0.11 0.00 1.31 0.00 0.00 55.95 56.29 2k0y s SER 59 Cb -0.13 -2.24 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 2k0y s SER 59 CO 0.05 -0.75 0.17 -0.63 0.41 0.00 0.00 173.24 172.50 2k0y s ILE 60 N 2.18 4.95 0.17 1.44 1.01 -1.26 -5.07 121.20 124.63 2k0y s ILE 60 Ca 0.10 -0.16 -0.31 0.00 0.00 0.00 0.00 60.65 60.28 2k0y s ILE 60 Cb -0.21 -3.45 -0.10 0.00 0.01 0.00 0.00 42.46 38.72 2k0y s ILE 60 CO 0.10 0.14 1.49 -2.16 0.00 0.00 0.00 174.94 174.51 2k0y s PRO 61 N 1.69 4.25 0.44 2.79 0.04 -1.26 -4.91 135.00 138.04 2k0y s PRO 61 Ca 0.06 2.27 0.20 0.00 0.04 0.00 0.00 61.00 63.57 2k0y s PRO 61 Cb -0.17 -3.17 1.15 0.00 0.04 0.00 0.00 34.50 32.36 2k0y s PRO 61 CO 0.08 -0.52 1.86 -0.44 0.04 0.00 0.00 177.00 178.03 2k0y h ASP 62 N 6.38 0.34 -0.26 6.66 3.32 -1.98 -1.23 116.42 129.64 2k0y h ASP 62 Ca -0.43 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.61 2k0y h ASP 62 Cb 1.21 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 2k0y h ASP 62 CO 0.87 0.13 -0.01 0.44 -1.72 0.00 0.00 179.24 178.95 2k0y h ASP 63 N 0.33 0.47 0.42 6.45 5.19 -1.99 -2.88 116.42 124.40 2k0y h ASP 63 Ca 0.46 -0.32 -0.13 0.00 -0.62 0.00 0.00 57.03 56.42 2k0y h ASP 63 Cb 1.25 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.62 2k0y h ASP 63 CO -0.15 0.67 -0.56 0.58 -3.12 0.00 0.00 179.24 176.66 2k0y h VAL 64 N 0.25 1.38 -0.03 -1.35 2.07 -1.66 -2.18 116.25 114.73 2k0y h VAL 64 Ca 0.07 -1.90 0.01 0.00 0.82 0.00 0.00 66.70 65.70 2k0y h VAL 64 Cb 0.44 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2k0y h VAL 64 CO 0.02 0.55 0.07 0.00 0.02 0.00 0.00 177.57 178.23 2k0y h ALA 65 N 1.31 1.32 -0.04 1.67 0.00 -1.08 -0.04 119.26 122.40 2k0y h ALA 65 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k0y h ALA 65 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2k0y h ALA 65 CO 0.08 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2k0y n GLY 66 N -1.22 -0.18 0.02 0.00 0.00 -0.87 -4.40 105.19 98.55 2k0y n GLY 66 Ca -0.02 -0.29 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 0.55 0.33 -2.40 1.61 5.12 -0.10 -4.73 116.66 117.04 2k0y n ARG 67 Ca 0.06 -0.04 -0.37 0.00 -1.93 0.00 0.00 57.85 55.57 2k0y n ARG 67 Cb 0.26 -1.57 -0.04 0.00 -1.16 0.00 0.00 32.46 29.96 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 -3.24 3.74 -0.02 1.55 -7.23 -0.75 -4.75 120.40 109.70 2k0y s VAL 68 Ca 0.02 -0.46 -0.01 0.00 -1.81 0.00 0.00 61.98 59.72 2k0y s VAL 68 Cb 0.14 -4.71 -0.27 0.00 0.56 0.00 0.00 36.38 32.10 2k0y s VAL 68 CO 0.84 -1.62 0.74 -0.78 -0.31 0.00 0.00 175.10 173.97 2k0y h ASP 69 N 10.50 0.33 -3.63 4.85 3.58 -1.91 -3.47 116.42 126.67 2k0y h ASP 69 Ca 0.09 -0.53 -0.67 0.00 0.42 0.00 0.00 57.03 56.34 2k0y h ASP 69 Cb 1.02 -0.11 -0.17 0.00 1.72 0.00 0.00 39.33 41.80 2k0y h ASP 69 CO 1.34 1.45 -0.76 0.42 -2.88 0.00 0.00 179.24 178.82 2k0y s THR 70 N -2.60 3.23 0.30 2.25 -4.23 -1.26 -2.25 115.64 111.07 2k0y s THR 70 Ca -0.11 -1.28 0.04 0.00 -1.18 0.00 0.00 61.69 59.17 2k0y s THR 70 Cb 0.07 -2.49 0.29 0.00 1.34 0.00 0.00 72.50 71.72 2k0y s THR 70 CO 0.83 0.15 1.79 -0.65 -0.54 0.00 0.00 174.62 176.20 2k0y h PRO 71 N 3.77 0.82 -0.95 3.99 0.11 -1.74 -1.54 132.00 136.45 2k0y h PRO 71 Ca -0.49 -0.05 0.19 0.00 0.11 0.00 0.00 66.00 65.76 2k0y h PRO 71 Cb 1.17 -0.18 -0.11 0.00 0.11 0.00 0.00 31.00 31.98 2k0y h PRO 71 CO 0.51 0.54 0.54 0.07 -0.21 0.00 0.00 178.00 179.45 2k0y h ARG 72 N 0.84 0.65 0.21 1.05 0.11 -1.93 0.27 114.38 115.58 2k0y h ARG 72 Ca 0.56 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.59 2k0y h ARG 72 Cb 0.77 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.71 2k0y h ARG 72 CO -0.35 0.43 -0.10 0.93 0.10 0.00 0.00 179.97 180.98 2k0y h GLU 73 N 0.67 -0.27 -0.41 0.08 4.39 -1.64 -1.11 114.58 116.29 2k0y h GLU 73 Ca 0.55 0.02 -0.10 0.00 0.34 0.00 0.00 59.36 60.17 2k0y h GLU 73 Cb 0.88 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 2k0y h GLU 73 CO -0.40 -0.03 -0.14 1.25 -1.16 0.00 0.00 179.01 178.52 2k0y h LEU 74 N -0.49 0.83 0.41 1.33 7.12 -1.43 -1.10 115.31 121.99 2k0y h LEU 74 Ca -0.03 -0.38 -0.01 0.00 0.13 0.00 0.00 57.88 57.59 2k0y h LEU 74 Cb 0.37 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.25 2k0y h LEU 74 CO 0.05 1.02 -0.37 0.25 -0.13 0.00 0.00 178.44 179.26 2k0y h LEU 75 N 0.63 -0.99 -1.09 2.25 5.85 -0.47 -1.68 115.31 119.80 2k0y h LEU 75 Ca 0.10 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.93 2k0y h LEU 75 Cb 0.68 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 2k0y h LEU 75 CO 0.05 -0.52 0.62 -0.78 -0.34 0.00 0.00 178.44 177.46 2k0y h ASP 76 N -0.79 1.02 -0.36 1.25 3.58 -1.12 0.37 116.42 120.37 2k0y h ASP 76 Ca -0.03 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2k0y h ASP 76 Cb 0.70 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 2k0y h ASP 76 CO -0.04 0.70 0.24 0.25 -2.88 0.00 0.00 179.24 177.50 2k0y h LEU 77 N 1.18 0.41 0.06 2.28 7.12 -0.88 0.18 115.31 125.66 2k0y h LEU 77 Ca 0.37 -0.01 -0.27 0.00 0.13 0.00 0.00 57.88 58.10 2k0y h LEU 77 Cb 0.01 -0.10 0.01 0.00 -0.53 0.00 0.00 40.66 40.05 2k0y h LEU 77 CO -0.11 0.30 -1.19 0.40 -0.13 0.00 0.00 178.44 177.71 2k0y h ILE 78 N 0.48 1.40 -0.41 4.05 2.04 -0.79 -2.97 117.51 121.32 2k0y h ILE 78 Ca 0.13 -2.73 0.04 0.00 1.00 0.00 0.00 64.86 63.30 2k0y h ILE 78 Cb -0.05 2.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.75 2k0y h ILE 78 CO -0.03 0.81 0.17 0.78 0.00 0.00 0.00 178.15 179.88 2k0y h ASN 79 N 0.17 0.21 -0.88 1.72 -0.26 0.08 0.18 115.58 116.79 2k0y h ASN 79 Ca -0.14 0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.61 2k0y h ASN 79 Cb 1.88 0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 39.10 2k0y h ASN 79 CO 0.21 0.16 0.49 1.23 -1.06 0.00 0.00 177.43 178.45 2k0y h GLY 80 N 0.34 1.32 1.28 2.83 0.00 -0.71 0.27 103.07 108.40 2k0y h GLY 80 Ca 0.18 -0.59 -0.16 0.00 0.00 0.00 0.00 47.33 46.76 2k0y h GLY 80 CO -0.16 0.57 -0.43 0.00 0.00 0.00 0.00 176.54 176.52 2k0y h ALA 81 N 1.30 0.65 -0.19 3.60 0.00 -1.22 -2.79 119.26 120.60 2k0y h ALA 81 Ca 0.31 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2k0y h ALA 81 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k0y h ALA 81 CO -0.05 0.67 -0.34 -0.07 0.00 0.00 0.00 179.25 179.46 2k0y h LEU 82 N 0.63 0.41 -1.97 0.00 3.38 -0.19 -2.87 115.31 114.71 2k0y h LEU 82 Ca 0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2k0y h LEU 82 Cb 0.99 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2k0y h LEU 82 CO 0.09 0.73 -0.10 0.00 0.09 0.00 0.00 178.44 179.25 2k0y h ALA 83 N 1.30 1.57 -0.00 1.53 0.00 -0.22 -1.27 119.26 122.17 2k0y h ALA 83 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k0y h ALA 83 Cb 0.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2k0y h ALA 83 CO 0.06 0.12 -0.13 0.39 0.00 0.00 0.00 179.25 179.69 2k0y n GLU 84 N -4.04 0.53 -4.31 0.00 -0.58 -1.08 -4.82 120.64 106.34 2k0y n GLU 84 Ca -0.02 -0.17 -0.29 0.00 -0.42 0.00 0.00 57.16 56.26 2k0y n GLU 84 Cb 0.18 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.51 2k0y n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k0y s ALA 85 N -2.59 4.07 0.00 0.62 0.00 -0.48 -5.13 121.76 118.25 2k0y s ALA 85 Ca 0.25 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2k0y s ALA 85 Cb 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2k0y s ALA 85 CO 0.50 -0.21 0.00 0.00 0.00 0.00 0.00 175.76 176.05