#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kga s ALA 2 N 0.00 3.55 -0.60 3.17 0.00 -1.26 -4.99 121.76 121.64 2kga s ALA 2 Ca 0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 51.96 51.33 2kga s ALA 2 Cb 0.00 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.87 2kga s ALA 2 CO 0.00 -1.14 1.06 0.95 0.00 0.00 0.00 175.76 176.63 2kga s THR 3 N 2.92 4.19 0.14 0.00 -4.23 -1.26 -4.46 115.64 112.94 2kga s THR 3 Ca 0.33 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 2kga s THR 3 Cb -0.14 -4.66 0.00 0.00 1.34 0.00 0.00 72.50 69.03 2kga s THR 3 CO 0.11 -1.33 0.00 0.18 -0.54 0.00 0.00 174.62 173.05 2kga n LEU 4 N 8.02 -4.25 -4.72 4.79 4.77 -1.26 -4.95 117.00 119.39 2kga n LEU 4 Ca 0.03 1.76 -0.42 0.00 -0.03 0.00 0.00 56.01 57.35 2kga n LEU 4 Cb 0.48 -1.87 -0.03 0.00 -2.33 0.00 0.00 43.42 39.66 2kga n LEU 4 CO 0.67 -0.76 0.88 -0.22 -1.33 0.00 0.00 177.39 176.63 2kga s LEU 5 N -0.66 4.41 0.00 2.23 0.20 -1.26 -5.02 118.68 118.57 2kga s LEU 5 Ca 0.00 2.10 0.03 0.00 0.69 0.00 0.00 54.13 56.96 2kga s LEU 5 Cb 0.00 -3.59 0.03 0.00 -0.43 0.00 0.00 46.19 42.20 2kga s LEU 5 CO 0.00 -0.42 0.29 0.35 -0.29 0.00 0.00 176.35 176.28 2kga n THR 6 N 3.34 0.00 0.02 3.68 -2.24 -1.26 -4.90 114.28 112.92 2kga n THR 6 Ca 0.07 -1.20 -0.10 0.00 -2.27 0.00 0.00 64.05 60.55 2kga n THR 6 Cb 0.46 -0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.29 2kga n THR 6 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2kga h THR 7 N 0.45 0.43 -0.90 4.28 2.02 -1.99 0.05 112.91 117.26 2kga h THR 7 Ca -0.19 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.01 2kga h THR 7 Cb 0.72 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 2kga h THR 7 CO 0.29 0.00 0.59 0.44 0.37 0.00 0.00 175.52 177.21 2kga h ASP 8 N -0.33 1.02 -0.35 4.18 3.32 -1.98 0.07 116.42 122.35 2kga h ASP 8 Ca 0.09 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 2kga h ASP 8 Cb 0.45 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2kga h ASP 8 CO -0.27 0.73 -0.09 0.44 -1.72 0.00 0.00 179.24 178.33 2kga h ASP 9 N 1.20 0.69 -0.59 6.45 3.32 -1.79 -2.90 116.42 122.80 2kga h ASP 9 Ca 0.33 -0.37 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 2kga h ASP 9 Cb -0.11 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 2kga h ASP 9 CO -0.08 0.90 -0.03 0.25 -1.72 0.00 0.00 179.24 178.57 2kga h LEU 10 N 0.48 1.05 -0.98 1.55 5.85 -0.55 -2.59 115.31 120.12 2kga h LEU 10 Ca 0.09 -0.31 0.16 0.00 0.84 0.00 0.00 57.88 58.66 2kga h LEU 10 Cb 0.60 -0.28 -0.10 0.00 0.37 0.00 0.00 40.66 41.25 2kga h LEU 10 CO 0.04 1.11 0.59 -0.09 -0.34 0.00 0.00 178.44 179.74 2kga h ARG 11 N 0.97 0.78 0.16 1.25 2.43 -0.86 -0.78 114.38 118.32 2kga h ARG 11 Ca 0.17 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2kga h ARG 11 Cb 0.59 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 2kga h ARG 11 CO 0.04 0.52 -0.20 0.00 -1.51 0.00 0.00 179.97 178.81 2kga h ARG 12 N 0.80 -0.39 -0.88 0.20 3.08 -1.27 -0.08 114.38 115.85 2kga h ARG 12 Ca 0.54 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.59 2kga h ARG 12 Cb 0.74 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.83 2kga h ARG 12 CO -0.35 -0.26 0.48 0.00 -1.07 0.00 0.00 179.97 178.78 2kga h ALA 13 N 0.37 1.20 0.20 0.04 0.00 -1.14 0.32 119.26 120.25 2kga h ALA 13 Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2kga h ALA 13 Cb 0.40 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kga h ALA 13 CO -0.08 0.65 -0.10 -0.07 0.00 0.00 0.00 179.25 179.65 2kga h LEU 14 N 1.23 -0.23 -1.25 0.00 -0.00 -1.11 -1.98 115.31 111.96 2kga h LEU 14 Ca 0.31 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 2kga h LEU 14 Cb 0.03 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 2kga h LEU 14 CO -0.05 0.04 0.00 1.62 -0.00 0.00 0.00 178.44 180.05 2kga h VAL 15 N -0.51 0.00 0.10 1.22 3.04 -0.40 0.46 116.25 120.16 2kga h VAL 15 Ca -0.03 -0.26 -0.29 0.00 -1.01 0.00 0.00 66.70 65.11 2kga h VAL 15 Cb 0.38 1.06 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 2kga h VAL 15 CO 0.05 0.00 -1.48 -0.33 -1.01 0.00 0.00 177.57 174.80 2kga h GLU 16 N 0.00 0.21 0.21 4.17 5.08 -0.87 -3.38 114.58 120.01 2kga h GLU 16 Ca 0.00 -0.36 -0.33 0.00 -1.00 0.00 0.00 59.36 57.67 2kga h GLU 16 Cb 0.32 0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.73 2kga h GLU 16 CO 0.00 1.06 -1.54 0.77 -1.00 0.00 0.00 179.01 178.30 2kga h SER 17 N 0.06 0.71 -3.37 1.42 0.02 -0.48 -3.42 113.55 108.49 2kga h SER 17 Ca -0.22 -0.84 -0.56 0.00 -0.84 0.00 0.00 61.79 59.34 2kga h SER 17 Cb 1.99 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 64.23 2kga h SER 17 CO 0.15 1.68 0.98 0.00 -1.14 0.00 0.00 176.83 178.50 2kga s ALA 18 N -2.60 3.04 -0.35 3.77 0.00 0.05 -4.92 121.76 120.74 2kga s ALA 18 Ca -0.10 -0.64 -0.20 0.00 0.00 0.00 0.00 51.96 51.01 2kga s ALA 18 Cb 0.05 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2kga s ALA 18 CO 0.91 -2.52 0.61 0.20 0.00 0.00 0.00 175.76 174.95 2kga s GLY 19 N 2.95 1.77 -0.11 0.00 0.00 -1.26 -4.57 107.32 106.10 2kga s GLY 19 Ca 0.47 -0.88 -0.04 0.00 0.00 0.00 0.00 44.72 44.27 2kga s GLY 19 CO 0.28 1.44 0.07 -2.21 0.00 0.00 0.00 173.10 172.68 2kga n GLU 20 N 5.97 -1.96 -2.76 2.90 4.07 -1.26 -5.04 120.64 122.56 2kga n GLU 20 Ca -0.02 1.77 -0.03 0.00 -0.06 0.00 0.00 57.16 58.82 2kga n GLU 20 Cb 0.49 -2.97 0.06 0.00 -0.06 0.00 0.00 31.44 28.96 2kga n GLU 20 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2kga n THR 21 N 0.61 0.91 -0.33 6.31 5.66 -1.26 -4.94 114.28 121.24 2kga n THR 21 Ca -0.12 -2.54 0.08 0.00 -3.05 0.00 0.00 64.05 58.42 2kga n THR 21 Cb 0.19 1.09 0.28 0.00 -1.55 0.00 0.00 70.33 70.33 2kga n THR 21 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2kga h ASP 22 N 2.39 0.85 0.64 1.09 1.82 -1.96 -0.55 116.42 120.71 2kga h ASP 22 Ca -0.19 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.49 2kga h ASP 22 Cb 1.26 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.13 2kga h ASP 22 CO 0.18 0.46 0.00 0.61 -1.61 0.00 0.00 179.24 178.88 2kga n GLY 23 N -1.38 -1.24 3.89 -0.78 0.00 -1.26 -4.63 105.19 99.79 2kga n GLY 23 Ca 0.18 0.11 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 2kga n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kga s THR 24 N -3.37 4.19 0.00 2.61 2.01 -0.21 -5.06 115.64 115.81 2kga s THR 24 Ca 0.03 -1.25 0.00 0.00 0.31 0.00 0.00 61.69 60.78 2kga s THR 24 Cb 0.09 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 69.20 2kga s THR 24 CO 0.37 -0.25 0.00 0.47 -0.69 0.00 0.00 174.62 174.52 2kga n ASP 25 N -1.37 0.00 0.00 3.53 8.00 -1.26 -4.85 116.55 120.60 2kga n ASP 25 Ca -0.05 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.78 2kga n ASP 25 Cb 0.58 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 2kga n ASP 25 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2kga n LEU 26 N -1.56 0.00 -4.54 0.64 7.94 -1.21 -4.54 117.00 113.73 2kga n LEU 26 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 2kga n LEU 26 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 2kga n LEU 26 CO 0.00 0.00 1.43 -0.55 -1.11 0.00 0.00 177.39 177.16 2kga s SER 27 N 0.00 6.56 0.00 1.96 0.15 -1.26 -3.38 113.70 117.73 2kga s SER 27 Ca 0.00 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 54.98 2kga s SER 27 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2kga s SER 27 CO 0.00 -1.39 0.00 0.61 1.20 0.00 0.00 173.24 173.66 2kga n GLY 28 N 6.46 -1.57 2.53 9.45 0.00 -1.26 -5.11 105.19 115.69 2kga n GLY 28 Ca 0.33 0.54 -0.06 0.00 0.00 0.00 0.00 46.02 46.83 2kga n GLY 28 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kga n ASP 29 N 0.00 -1.53 0.00 1.61 2.03 -1.22 -5.07 116.55 112.37 2kga n ASP 29 Ca 0.00 -2.05 0.00 0.00 0.52 0.00 0.00 54.79 53.26 2kga n ASP 29 Cb 0.00 2.55 0.00 0.00 -0.72 0.00 0.00 41.12 42.95 2kga n ASP 29 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 2kga n PHE 30 N -0.37 0.00 -0.28 -0.67 -1.74 -1.26 -3.33 117.46 109.81 2kga n PHE 30 Ca -0.06 0.00 0.07 0.00 -0.56 0.00 0.00 57.45 56.90 2kga n PHE 30 Cb 0.40 0.00 0.21 0.00 1.52 0.00 0.00 39.48 41.61 2kga n PHE 30 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 2kga h LEU 31 N 0.00 0.38 -1.35 5.98 5.85 -1.95 -0.94 115.31 123.28 2kga h LEU 31 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2kga h LEU 31 Cb 0.00 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2kga h LEU 31 CO 0.00 0.14 -0.12 -0.90 -0.34 0.00 0.00 178.44 177.22 2kga n ASP 32 N -4.95 2.23 -4.90 1.25 5.75 -1.26 -2.06 116.55 112.60 2kga n ASP 32 Ca 0.16 -1.66 -0.28 0.00 -0.01 0.00 0.00 54.79 53.00 2kga n ASP 32 Cb 0.45 0.11 -0.00 0.00 -1.03 0.00 0.00 41.12 40.64 2kga n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2kga s LEU 33 N -2.15 3.65 0.44 -2.12 1.43 -0.36 -4.98 118.68 114.59 2kga s LEU 33 Ca 0.28 0.95 -0.22 0.00 -1.03 0.00 0.00 54.13 54.11 2kga s LEU 33 Cb 0.20 -3.90 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 2kga s LEU 33 CO 0.39 -0.56 1.03 -0.13 0.23 0.00 0.00 176.35 177.31 2kga s ARG 34 N -4.64 4.04 0.47 1.70 1.81 -1.26 -3.98 118.95 117.10 2kga s ARG 34 Ca 0.48 1.39 0.23 0.00 -1.72 0.00 0.00 55.73 56.11 2kga s ARG 34 Cb -0.10 -2.32 1.26 0.00 -0.45 0.00 0.00 34.95 33.34 2kga s ARG 34 CO 0.43 -0.23 1.88 0.74 -0.68 0.00 0.00 175.30 177.45 2kga h PHE 35 N 2.06 0.29 -0.87 -0.53 0.04 -1.00 0.15 116.94 117.08 2kga h PHE 35 Ca -0.49 0.01 0.16 0.00 2.80 0.00 0.00 57.97 60.45 2kga h PHE 35 Cb 1.21 -0.09 -0.07 0.00 2.20 0.00 0.00 35.95 39.20 2kga h PHE 35 CO 0.58 0.08 0.57 0.93 -0.60 0.00 0.00 178.31 179.87 2kga h GLU 36 N 0.22 0.58 0.00 1.51 5.08 -1.81 -0.25 114.58 119.91 2kga h GLU 36 Ca 0.43 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.66 2kga h GLU 36 Cb 1.33 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2kga h GLU 36 CO -0.10 0.39 -0.69 -0.44 -1.00 0.00 0.00 179.01 177.17 2kga h ASP 37 N 0.60 0.00 -0.77 1.42 3.32 -1.02 -3.27 116.42 116.70 2kga h ASP 37 Ca 0.44 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.20 2kga h ASP 37 Cb 0.82 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.20 2kga h ASP 37 CO -0.19 0.37 0.38 2.30 -1.72 0.00 0.00 179.24 180.37 2kga n ILE 38 N -3.05 2.85 -2.36 0.35 -5.35 -0.61 -4.88 119.36 106.30 2kga n ILE 38 Ca -0.01 -1.59 -0.11 0.00 -0.27 0.00 0.00 62.75 60.78 2kga n ILE 38 Cb 0.70 -0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.17 2kga n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kga n GLY 39 N -0.41 -0.04 3.30 3.28 0.00 -1.14 -4.96 105.19 105.22 2kga n GLY 39 Ca 0.44 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2kga n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kga s TYR 40 N -2.66 3.07 -0.19 1.61 1.51 -0.20 -4.97 117.35 115.52 2kga s TYR 40 Ca 0.06 -1.09 -0.22 0.00 -1.01 0.00 0.00 57.07 54.81 2kga s TYR 40 Cb -0.02 -2.16 -0.20 0.00 -0.11 0.00 0.00 41.96 39.47 2kga s TYR 40 CO 0.07 -0.60 0.30 0.22 -1.11 0.00 0.00 175.55 174.43 2kga h ASP 41 N 8.14 0.00 0.00 2.29 1.82 -1.92 -3.28 116.42 123.47 2kga h ASP 41 Ca -0.35 -0.57 0.00 0.00 -0.39 0.00 0.00 57.03 55.72 2kga h ASP 41 Cb 1.13 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.14 2kga h ASP 41 CO 0.59 1.36 0.00 -0.24 -1.61 0.00 0.00 179.24 179.35 2kga n SER 42 N -4.48 0.00 -0.22 2.28 2.88 -1.26 -4.98 113.62 107.84 2kga n SER 42 Ca -0.27 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.21 2kga n SER 42 Cb 0.62 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.12 2kga n SER 42 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2kga h LEU 43 N 0.00 0.72 -2.04 2.46 6.46 -2.00 -1.17 115.31 119.75 2kga h LEU 43 Ca 0.00 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 2kga h LEU 43 Cb 0.00 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 39.75 2kga h LEU 43 CO 0.00 0.53 -0.04 0.00 -0.62 0.00 0.00 178.44 178.31 2kga h ALA 44 N 1.23 1.07 -0.03 1.25 0.00 -1.93 -2.39 119.26 118.44 2kga h ALA 44 Ca 0.23 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 2kga h ALA 44 Cb -0.09 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.70 2kga h ALA 44 CO -0.05 0.05 -0.94 1.25 0.00 0.00 0.00 179.25 179.56 2kga h LEU 45 N 0.00 0.75 -0.65 0.00 5.85 -1.60 -2.44 115.31 117.22 2kga h LEU 45 Ca -0.00 -0.57 -0.13 0.00 0.84 0.00 0.00 57.88 58.02 2kga h LEU 45 Cb 0.32 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2kga h LEU 45 CO 0.00 1.37 -0.29 0.00 -0.34 0.00 0.00 178.44 179.18 2kga h MET 46 N 0.35 0.74 0.11 1.25 -0.00 -1.22 -1.34 114.93 114.82 2kga h MET 46 Ca -0.09 -0.33 -0.00 0.00 -0.00 0.00 0.00 59.70 59.28 2kga h MET 46 Cb 1.57 -0.02 -0.00 0.00 -0.00 0.00 0.00 31.60 33.15 2kga h MET 46 CO 0.18 0.94 -0.06 0.93 -0.00 0.00 0.00 176.91 178.89 2kga h GLU 47 N 0.63 -0.16 0.64 -0.10 4.39 -1.47 0.73 114.58 119.25 2kga h GLU 47 Ca 0.08 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 2kga h GLU 47 Cb 0.81 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.50 2kga h GLU 47 CO 0.07 -0.10 -0.31 1.15 -1.16 0.00 0.00 179.01 178.66 2kga h THR 48 N -0.16 0.33 -0.20 1.13 2.02 -1.37 -2.56 112.91 112.10 2kga h THR 48 Ca -0.01 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.08 2kga h THR 48 Cb 0.13 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 2kga h THR 48 CO 0.02 0.02 -0.02 0.00 0.37 0.00 0.00 175.52 175.90 2kga h ALA 49 N -0.63 0.16 -0.10 6.16 0.00 -1.12 -2.32 119.26 121.42 2kga h ALA 49 Ca -0.09 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2kga h ALA 49 Cb 0.69 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2kga h ALA 49 CO 0.14 -0.45 -0.23 0.00 0.00 0.00 0.00 179.25 178.71 2kga h ALA 50 N 1.18 1.43 0.00 0.00 0.00 -0.91 -2.00 119.26 118.96 2kga h ALA 50 Ca 0.10 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2kga h ALA 50 Cb 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2kga h ALA 50 CO -0.18 0.40 -0.60 -0.09 0.00 0.00 0.00 179.25 178.79 2kga h ARG 51 N 0.15 0.00 -0.22 0.00 2.43 -1.08 -3.02 114.38 112.66 2kga h ARG 51 Ca 0.03 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.00 2kga h ARG 51 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2kga h ARG 51 CO 0.03 0.60 -0.63 -0.07 -1.51 0.00 0.00 179.97 178.39 2kga h LEU 52 N 0.00 0.87 0.63 3.80 3.38 -0.83 -2.87 115.31 120.28 2kga h LEU 52 Ca -0.01 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 2kga h LEU 52 Cb 1.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2kga h LEU 52 CO 0.08 1.28 -0.48 -0.33 0.09 0.00 0.00 178.44 179.08 2kga h GLU 53 N 0.56 -1.03 -0.68 1.13 5.08 -1.35 -0.39 114.58 117.90 2kga h GLU 53 Ca -0.01 0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2kga h GLU 53 Cb 1.23 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.69 2kga h GLU 53 CO 0.13 -0.69 0.16 0.66 -1.00 0.00 0.00 179.01 178.27 2kga h SER 54 N -1.07 1.02 -0.08 1.42 4.64 -1.67 0.10 113.55 117.92 2kga h SER 54 Ca -0.08 -0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 2kga h SER 54 Cb 0.89 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2kga h SER 54 CO 0.02 0.99 -0.02 -0.09 -0.87 0.00 0.00 176.83 176.86 2kga h ARG 55 N 1.03 0.16 0.00 4.77 2.43 -1.37 -3.30 114.38 118.09 2kga h ARG 55 Ca 0.21 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2kga h ARG 55 Cb 0.37 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2kga h ARG 55 CO 0.00 0.47 -0.96 0.66 -1.51 0.00 0.00 179.97 178.63 2kga n TYR 56 N -4.80 0.01 -2.14 2.20 4.01 -0.17 -4.97 117.16 111.30 2kga n TYR 56 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2kga n TYR 56 Cb 0.23 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 2kga n TYR 56 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kga n GLY 57 N 1.48 0.86 3.72 2.72 0.00 0.21 -5.06 105.19 109.12 2kga n GLY 57 Ca 0.04 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 2kga n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kga s VAL 58 N -2.87 1.77 -0.05 1.61 -7.23 -0.36 -4.99 120.40 108.28 2kga s VAL 58 Ca 0.00 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.26 2kga s VAL 58 Cb 0.00 -2.65 0.03 0.00 0.56 0.00 0.00 36.38 34.33 2kga s VAL 58 CO 0.00 0.00 0.07 -0.94 -0.31 0.00 0.00 175.10 173.92 2kga s SER 59 N -3.86 1.24 -0.41 4.85 1.04 -1.26 -4.46 113.70 110.84 2kga s SER 59 Ca 0.27 0.02 -0.17 0.00 0.48 0.00 0.00 55.95 56.55 2kga s SER 59 Cb 0.05 -0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.05 2kga s SER 59 CO 0.14 -0.26 0.40 -0.63 0.98 0.00 0.00 173.24 173.88 2kga s ILE 60 N 2.17 5.13 0.47 -1.02 1.01 -1.26 -5.01 121.20 122.69 2kga s ILE 60 Ca 0.05 -0.38 -0.24 0.00 0.00 0.00 0.00 60.65 60.07 2kga s ILE 60 Cb -0.12 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 2kga s ILE 60 CO -0.04 -0.38 1.41 -2.65 0.00 0.00 0.00 174.94 173.29 2kga n PRO 61 N 5.49 2.11 -0.14 2.79 -0.02 -1.26 -4.83 135.00 139.14 2kga n PRO 61 Ca -0.08 0.76 0.06 0.00 -2.02 0.00 0.00 63.50 62.21 2kga n PRO 61 Cb 0.47 -2.61 0.37 0.00 -0.02 0.00 0.00 33.50 31.71 2kga n PRO 61 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2kga h ASP 62 N 2.07 0.62 0.18 2.55 1.82 -1.99 -0.59 116.42 121.08 2kga h ASP 62 Ca -0.51 -0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 55.98 2kga h ASP 62 Cb 1.28 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 41.14 2kga h ASP 62 CO 0.60 0.41 -0.56 0.44 -1.61 0.00 0.00 179.24 178.52 2kga h ASP 63 N 0.71 0.44 0.52 2.28 5.19 -2.01 -3.01 116.42 120.54 2kga h ASP 63 Ca 0.28 -0.24 -0.22 0.00 -0.62 0.00 0.00 57.03 56.23 2kga h ASP 63 Cb 0.19 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.57 2kga h ASP 63 CO -0.08 0.91 -0.97 0.58 -3.12 0.00 0.00 179.24 176.56 2kga h VAL 64 N 0.30 1.47 0.00 -1.35 2.07 -1.56 -3.04 116.25 114.14 2kga h VAL 64 Ca 0.00 -2.67 -0.00 0.00 0.82 0.00 0.00 66.70 64.85 2kga h VAL 64 Cb 1.07 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 33.39 2kga h VAL 64 CO 0.10 0.78 -0.01 0.00 0.02 0.00 0.00 177.57 178.45 2kga h ALA 65 N 0.82 1.30 0.00 1.67 0.00 -1.03 -1.33 119.26 120.69 2kga h ALA 65 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kga h ALA 65 Cb 1.62 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2kga h ALA 65 CO 0.16 0.02 -1.38 0.41 0.00 0.00 0.00 179.25 178.45 2kga n GLY 66 N -1.12 -1.18 0.48 0.00 0.00 -1.16 -4.23 105.19 97.98 2kga n GLY 66 Ca -0.03 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.69 2kga n GLY 66 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kga n ARG 67 N -2.22 1.21 -2.82 1.61 1.85 -0.55 -4.72 116.66 111.02 2kga n ARG 67 Ca -0.01 -0.96 -0.43 0.00 -1.00 0.00 0.00 57.85 55.45 2kga n ARG 67 Cb 0.51 -1.48 -0.03 0.00 -1.05 0.00 0.00 32.46 30.41 2kga n ARG 67 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2kga s VAL 68 N -2.45 4.42 -0.04 8.89 -7.23 -0.88 -4.79 120.40 118.32 2kga s VAL 68 Ca 0.20 -1.02 -0.02 0.00 -1.81 0.00 0.00 61.98 59.33 2kga s VAL 68 Cb 0.18 -4.82 -0.27 0.00 0.56 0.00 0.00 36.38 32.04 2kga s VAL 68 CO 0.54 -1.60 0.67 0.44 -0.31 0.00 0.00 175.10 174.84 2kga h ASP 69 N 9.27 0.35 -3.19 4.85 3.32 -1.92 -3.45 116.42 125.65 2kga h ASP 69 Ca 0.04 -0.60 -0.64 0.00 0.02 0.00 0.00 57.03 55.84 2kga h ASP 69 Cb 1.03 -0.12 -0.09 0.00 0.22 0.00 0.00 39.33 40.38 2kga h ASP 69 CO 1.20 1.52 -0.60 0.42 -1.72 0.00 0.00 179.24 180.06 2kga s THR 70 N -2.59 4.51 0.55 0.35 -4.23 -1.26 -0.31 115.64 112.66 2kga s THR 70 Ca -0.13 -0.74 0.25 0.00 -1.18 0.00 0.00 61.69 59.90 2kga s THR 70 Cb 0.07 -3.16 0.36 0.00 1.34 0.00 0.00 72.50 71.12 2kga s THR 70 CO 0.83 0.16 2.05 -0.65 -0.54 0.00 0.00 174.62 176.46 2kga h PRO 71 N 3.42 0.00 -0.48 3.99 0.11 -1.68 -1.80 132.00 135.56 2kga h PRO 71 Ca -0.47 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.73 2kga h PRO 71 Cb 1.17 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 2kga h PRO 71 CO 0.65 0.00 0.02 -0.09 -0.21 0.00 0.00 178.00 178.37 2kga h ARG 72 N 0.00 0.13 -0.54 1.05 2.43 -1.75 0.32 114.38 116.03 2kga h ARG 72 Ca 0.15 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 2kga h ARG 72 Cb 0.69 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 2kga h ARG 72 CO -0.00 0.09 0.05 0.93 -1.51 0.00 0.00 179.97 179.52 2kga h GLU 73 N 0.14 0.89 -0.29 0.20 4.39 -1.63 0.12 114.58 118.39 2kga h GLU 73 Ca 0.24 -0.23 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 2kga h GLU 73 Cb 0.35 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2kga h GLU 73 CO -0.38 0.86 -0.09 1.25 -1.16 0.00 0.00 179.01 179.48 2kga h LEU 74 N 0.83 0.59 -0.46 1.33 7.12 -1.33 -2.27 115.31 121.12 2kga h LEU 74 Ca 0.17 -0.38 0.06 0.00 0.13 0.00 0.00 57.88 57.86 2kga h LEU 74 Cb 0.43 -0.16 -0.05 0.00 -0.53 0.00 0.00 40.66 40.34 2kga h LEU 74 CO 0.02 0.84 0.15 0.25 -0.13 0.00 0.00 178.44 179.57 2kga h LEU 75 N 0.34 0.15 -0.79 2.25 5.85 0.11 -1.57 115.31 121.65 2kga h LEU 75 Ca 0.07 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.92 2kga h LEU 75 Cb 0.59 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 2kga h LEU 75 CO 0.03 0.11 0.46 -0.78 -0.34 0.00 0.00 178.44 177.93 2kga h ASP 76 N 0.32 0.69 -0.72 1.25 3.58 -0.84 0.14 116.42 120.85 2kga h ASP 76 Ca 0.22 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.65 2kga h ASP 76 Cb 0.23 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 2kga h ASP 76 CO -0.24 0.43 0.24 0.25 -2.88 0.00 0.00 179.24 177.04 2kga h LEU 77 N 0.82 1.03 0.28 2.28 7.12 -0.72 0.26 115.31 126.39 2kga h LEU 77 Ca 0.36 -0.20 -0.01 0.00 0.13 0.00 0.00 57.88 58.16 2kga h LEU 77 Cb 0.24 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 2kga h LEU 77 CO -0.20 0.96 -0.13 0.40 -0.13 0.00 0.00 178.44 179.33 2kga h ILE 78 N 1.05 0.76 -0.56 4.05 1.08 -0.48 -2.22 117.51 121.20 2kga h ILE 78 Ca 0.23 -0.51 -0.03 0.00 -0.39 0.00 0.00 64.86 64.16 2kga h ILE 78 Cb 0.28 1.03 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 2kga h ILE 78 CO -0.01 0.10 0.21 0.78 -0.69 0.00 0.00 178.15 178.54 2kga h ASN 79 N -0.65 0.74 -0.98 1.72 2.35 -0.62 0.85 115.58 119.00 2kga h ASN 79 Ca -0.04 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 2kga h ASN 79 Cb 0.46 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.59 2kga h ASN 79 CO 0.06 0.68 0.64 1.23 -1.65 0.00 0.00 177.43 178.39 2kga h GLY 80 N 0.94 1.39 0.74 2.83 0.00 -0.44 0.10 103.07 108.63 2kga h GLY 80 Ca 0.19 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 2kga h GLY 80 CO -0.02 0.52 -0.22 0.00 0.00 0.00 0.00 176.54 176.82 2kga h ALA 81 N 1.37 0.20 -0.47 3.60 0.00 -0.66 -2.49 119.26 120.81 2kga h ALA 81 Ca 0.36 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2kga h ALA 81 Cb -0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2kga h ALA 81 CO -0.07 0.16 0.31 -0.07 0.00 0.00 0.00 179.25 179.58 2kga h LEU 82 N -0.03 0.49 0.41 0.00 3.38 -0.51 0.36 115.31 119.42 2kga h LEU 82 Ca 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2kga h LEU 82 Cb 0.80 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2kga h LEU 82 CO 0.05 0.35 -0.20 0.00 0.09 0.00 0.00 178.44 178.73 2kga h ALA 83 N 1.72 -0.55 0.20 1.53 0.00 -0.73 -3.39 119.26 118.05 2kga h ALA 83 Ca 0.18 -0.19 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 2kga h ALA 83 Cb 0.01 0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.04 2kga h ALA 83 CO -0.04 -0.64 -1.54 1.05 0.00 0.00 0.00 179.25 178.08 2kga h GLU 84 N -0.89 0.43 -7.09 0.00 4.11 -1.18 -3.46 114.58 106.50 2kga h GLU 84 Ca -0.06 -0.74 -0.47 0.00 0.07 0.00 0.00 59.36 58.16 2kga h GLU 84 Cb 0.56 0.28 0.01 0.00 0.50 0.00 0.00 28.75 30.09 2kga h GLU 84 CO 0.09 1.35 0.31 0.00 0.07 0.00 0.00 179.01 180.84 2kga s ALA 85 N -2.56 3.13 -0.50 1.06 0.00 0.12 -5.10 121.76 117.90 2kga s ALA 85 Ca -0.14 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.00 2kga s ALA 85 Cb 0.04 -3.03 0.03 0.00 0.00 0.00 0.00 23.12 20.17 2kga s ALA 85 CO 0.88 -0.12 0.63 0.00 0.00 0.00 0.00 175.76 177.15