#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 3.60 -0.53 3.04 0.00 -1.26 -5.03 121.76 121.59 2kga s ALA 2 Ca 0.00 -0.58 -0.23 0.00 0.00 0.00 0.00 51.96 51.15 2kga s ALA 2 Cb 0.00 -2.39 0.04 0.00 0.00 0.00 0.00 23.12 20.77 2kga s ALA 2 CO 0.00 -0.02 0.84 0.99 0.00 0.00 0.00 175.76 177.57 2kga s THR 3 N 0.72 4.54 0.45 0.00 2.01 -1.26 -5.02 115.64 117.09 2kga s THR 3 Ca 0.14 0.09 -0.22 0.00 0.31 0.00 0.00 61.69 62.01 2kga s THR 3 Cb -0.13 -4.46 -0.08 0.00 0.01 0.00 0.00 72.50 67.84 2kga s THR 3 CO 0.04 -1.00 1.05 -0.76 -0.69 0.00 0.00 174.62 173.27 2kga s LEU 4 N 3.54 3.96 -0.14 4.42 1.43 -1.26 -5.00 118.68 125.63 2kga s LEU 4 Ca 0.26 2.01 -0.24 0.00 -1.03 0.00 0.00 54.13 55.13 2kga s LEU 4 Cb -0.14 -4.40 -0.02 0.00 0.03 0.00 0.00 46.19 41.65 2kga s LEU 4 CO 0.18 -0.70 0.76 -0.22 0.23 0.00 0.00 176.35 176.60 2kga s LEU 5 N -3.15 4.22 0.57 1.79 0.20 -1.26 -5.04 118.68 116.01 2kga s LEU 5 Ca 0.64 1.13 0.06 0.00 0.69 0.00 0.00 54.13 56.65 2kga s LEU 5 Cb -0.20 -3.14 0.06 0.00 -0.43 0.00 0.00 46.19 42.49 2kga s LEU 5 CO 0.24 -0.29 0.52 0.42 -0.29 0.00 0.00 176.35 176.95 2kga s THR 6 N 1.67 1.66 0.46 3.68 -4.23 -1.26 -4.92 115.64 112.71 2kga s THR 6 Ca 0.37 -1.37 0.14 0.00 -1.18 0.00 0.00 61.69 59.65 2kga s THR 6 Cb -0.17 -2.03 0.30 0.00 1.34 0.00 0.00 72.50 71.94 2kga s THR 6 CO 0.14 0.00 2.05 0.74 -0.54 0.00 0.00 174.62 177.01 2kga h THR 7 N 0.55 0.96 -0.10 3.99 2.02 -1.97 0.78 112.91 119.13 2kga h THR 7 Ca -0.34 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2kga h THR 7 Cb 1.30 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 2kga h THR 7 CO 0.52 0.05 0.06 0.44 0.37 0.00 0.00 175.52 176.97 2kga h ASP 8 N 0.29 0.12 -0.31 4.18 3.32 -1.98 0.23 116.42 122.27 2kga h ASP 8 Ca 0.16 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 2kga h ASP 8 Cb 0.28 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2kga h ASP 8 CO -0.03 0.11 -0.16 0.44 -1.72 0.00 0.00 179.24 177.88 2kga h ASP 9 N 0.12 0.77 0.09 6.45 5.19 -1.72 -2.91 116.42 124.41 2kga h ASP 9 Ca 0.04 -0.25 -0.00 0.00 -0.62 0.00 0.00 57.03 56.19 2kga h ASP 9 Cb 0.01 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.31 2kga h ASP 9 CO -0.01 0.93 -0.04 0.25 -3.12 0.00 0.00 179.24 177.25 2kga h LEU 10 N 0.68 -0.10 -0.48 1.55 5.85 -0.48 -1.22 115.31 121.11 2kga h LEU 10 Ca 0.11 -0.23 0.10 0.00 0.84 0.00 0.00 57.88 58.69 2kga h LEU 10 Cb 0.65 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.62 2kga h LEU 10 CO 0.05 0.17 -0.07 0.03 -0.34 0.00 0.00 178.44 178.28 2kga h ARG 11 N -0.38 0.04 0.10 1.25 3.08 -0.51 -0.84 114.38 117.13 2kga h ARG 11 Ca -0.01 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2kga h ARG 11 Cb 0.32 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2kga h ARG 11 CO 0.02 0.03 -0.05 -0.09 -1.07 0.00 0.00 179.97 178.81 2kga h ARG 12 N 0.05 -0.14 -0.49 0.04 2.43 -1.37 0.11 114.38 115.02 2kga h ARG 12 Ca 0.24 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 2kga h ARG 12 Cb 0.37 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 2kga h ARG 12 CO -0.46 -0.08 0.12 0.00 -1.51 0.00 0.00 179.97 178.04 2kga h ALA 13 N 0.74 0.64 -0.17 2.80 0.00 -0.87 -1.97 119.26 120.43 2kga h ALA 13 Ca -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2kga h ALA 13 Cb 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2kga h ALA 13 CO 0.02 0.33 0.03 -0.07 0.00 0.00 0.00 179.25 179.57 2kga h LEU 14 N 0.66 0.27 -1.16 0.00 -0.00 -1.06 -2.80 115.31 111.23 2kga h LEU 14 Ca 0.15 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2kga h LEU 14 Cb 0.33 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 2kga h LEU 14 CO 0.00 0.45 0.00 1.62 -0.00 0.00 0.00 178.44 180.51 2kga h VAL 15 N 0.08 0.00 0.10 1.22 3.04 -0.61 -0.77 116.25 119.30 2kga h VAL 15 Ca 0.05 -0.24 -0.28 0.00 -1.01 0.00 0.00 66.70 65.22 2kga h VAL 15 Cb 0.29 1.01 0.02 0.00 -2.01 0.00 0.00 31.29 30.60 2kga h VAL 15 CO 0.00 0.00 -1.19 -0.33 -1.01 0.00 0.00 177.57 175.04 2kga h GLU 16 N 0.00 0.51 -0.00 4.17 5.08 -1.17 -2.83 114.58 120.34 2kga h GLU 16 Ca 0.00 -0.69 0.00 0.00 -1.00 0.00 0.00 59.36 57.67 2kga h GLU 16 Cb 0.31 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2kga h GLU 16 CO 0.00 1.30 -0.13 0.43 -1.00 0.00 0.00 179.01 179.61 2kga n SER 17 N -3.73 0.14 -3.21 1.42 7.64 -0.41 -4.32 113.62 111.15 2kga n SER 17 Ca -0.11 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2kga n SER 17 Cb 0.97 -0.29 -0.01 0.00 -1.01 0.00 0.00 64.21 63.86 2kga n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kga s ALA 18 N -2.97 -2.23 -1.28 -0.43 0.00 -0.55 -4.81 121.76 109.49 2kga s ALA 18 Ca 0.14 0.28 -0.14 0.00 0.00 0.00 0.00 51.96 52.25 2kga s ALA 18 Cb 0.19 -2.65 0.13 0.00 0.00 0.00 0.00 23.12 20.79 2kga s ALA 18 CO 0.57 -2.14 1.73 0.41 0.00 0.00 0.00 175.76 176.33 2kga n GLY 19 N 4.60 3.71 3.57 0.00 0.00 -1.07 -4.30 105.19 111.70 2kga n GLY 19 Ca 0.10 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 2kga n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kga s GLU 20 N 2.05 2.79 -0.84 1.61 0.41 -1.26 -4.84 118.70 118.62 2kga s GLU 20 Ca 0.45 1.26 -0.23 0.00 -0.41 0.00 0.00 54.97 56.04 2kga s GLU 20 Cb 0.04 -4.37 -0.17 0.00 -1.78 0.00 0.00 34.13 27.84 2kga s GLU 20 CO 0.01 -2.50 2.32 2.41 -0.49 0.00 0.00 175.26 177.01 2kga n THR 21 N 7.55 0.00 -1.37 3.63 -1.04 -1.26 -1.81 114.28 119.98 2kga n THR 21 Ca 0.26 -0.44 -0.13 0.00 -2.04 0.00 0.00 64.05 61.71 2kga n THR 21 Cb 0.50 -1.70 -0.05 0.00 -1.82 0.00 0.00 70.33 67.25 2kga n THR 21 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2kga n ASP 22 N 16.98 -4.98 -4.61 8.00 2.03 -1.26 -4.92 116.55 127.80 2kga n ASP 22 Ca 0.48 0.32 -0.43 0.00 0.52 0.00 0.00 54.79 55.68 2kga n ASP 22 Cb 0.40 -3.60 -0.02 0.00 -0.72 0.00 0.00 41.12 37.18 2kga n ASP 22 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2kga s GLY 23 N -2.67 1.33 -0.07 0.27 0.00 -0.75 -4.87 107.32 100.56 2kga s GLY 23 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 44.72 44.36 2kga s GLY 23 CO 0.00 2.42 1.78 2.41 0.00 0.00 0.00 173.10 179.71 2kga n THR 24 N 6.67 1.95 -0.00 0.90 -1.04 -1.26 -3.05 114.28 118.45 2kga n THR 24 Ca 0.12 -0.63 0.06 0.00 -2.04 0.00 0.00 64.05 61.56 2kga n THR 24 Cb 0.48 -1.33 -0.13 0.00 -1.82 0.00 0.00 70.33 67.53 2kga n THR 24 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2kga n ASP 25 N 1.00 0.24 0.00 8.00 8.00 -1.26 -4.61 116.55 127.91 2kga n ASP 25 Ca 0.07 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.67 2kga n ASP 25 Cb 0.55 1.36 0.00 0.00 -0.02 0.00 0.00 41.12 43.00 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 -2.49 1.80 -4.56 0.64 7.94 -1.17 -4.61 117.00 114.55 2kga n LEU 26 Ca -0.09 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.48 2kga n LEU 26 Cb 0.71 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.62 2kga n LEU 26 CO 0.44 0.28 1.40 -0.44 -1.11 0.00 0.00 177.39 177.96 2kga s SER 27 N -3.89 5.73 0.00 1.96 0.01 -1.19 -4.18 113.70 112.14 2kga s SER 27 Ca 0.00 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.24 2kga s SER 27 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2kga s SER 27 CO 0.00 -2.21 0.00 0.61 0.41 0.00 0.00 173.24 172.05 2kga n GLY 28 N 6.86 0.75 3.48 3.44 0.00 -1.26 -4.62 105.19 113.84 2kga n GLY 28 Ca 0.37 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2kga n GLY 28 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kga s ASP 29 N -4.00 3.73 0.00 1.61 1.47 -1.26 -4.92 116.67 113.30 2kga s ASP 29 Ca 0.00 -0.79 0.00 0.00 1.18 0.00 0.00 52.55 52.94 2kga s ASP 29 Cb 0.00 -0.42 0.00 0.00 -0.34 0.00 0.00 42.92 42.16 2kga s ASP 29 CO 0.00 0.11 0.00 2.22 0.68 0.00 0.00 175.17 178.18 2kga n PHE 30 N 0.09 0.00 -0.11 2.11 -1.74 -1.26 -4.23 117.46 112.33 2kga n PHE 30 Ca -0.11 0.00 0.26 0.00 -0.56 0.00 0.00 57.45 57.04 2kga n PHE 30 Cb 0.56 0.00 0.72 0.00 1.52 0.00 0.00 39.48 42.28 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 0.00 0.00 5.98 5.85 -1.94 -0.83 115.31 124.37 2kga h LEU 31 Ca 0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2kga h LEU 31 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2kga h LEU 31 CO 0.00 0.00 -1.47 -0.67 -0.34 0.00 0.00 178.44 175.96 2kga n ASP 32 N -4.06 0.62 -4.90 1.25 2.03 -1.26 -3.49 116.55 106.73 2kga n ASP 32 Ca 0.16 0.26 -0.28 0.00 0.52 0.00 0.00 54.79 55.44 2kga n ASP 32 Cb 0.90 0.68 -0.03 0.00 -0.72 0.00 0.00 41.12 41.95 2kga n ASP 32 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2kga s LEU 33 N -5.37 3.94 0.62 -2.67 1.43 -0.32 -4.99 118.68 111.32 2kga s LEU 33 Ca -0.04 0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 53.76 2kga s LEU 33 Cb 0.10 -3.67 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 2kga s LEU 33 CO 0.82 -0.30 1.03 -0.13 0.23 0.00 0.00 176.35 178.00 2kga s ARG 34 N -3.84 3.49 0.26 1.70 3.00 -1.26 -4.16 118.95 118.13 2kga s ARG 34 Ca 0.46 0.83 -0.01 0.00 0.00 0.00 0.00 55.73 57.01 2kga s ARG 34 Cb -0.10 -2.07 0.50 0.00 0.00 0.00 0.00 34.95 33.28 2kga s ARG 34 CO 0.33 -0.66 1.79 0.74 0.00 0.00 0.00 175.30 177.50 2kga h PHE 35 N -0.23 0.89 -0.17 -0.53 0.04 -1.15 0.82 116.94 116.61 2kga h PHE 35 Ca -0.44 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.41 2kga h PHE 35 Cb 1.19 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 39.07 2kga h PHE 35 CO 0.65 0.30 0.18 1.05 -0.60 0.00 0.00 178.31 179.88 2kga h GLU 36 N 0.76 0.00 0.10 1.51 4.11 -1.80 0.59 114.58 119.85 2kga h GLU 36 Ca 0.45 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.57 2kga h GLU 36 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2kga h GLU 36 CO -0.30 0.00 -1.66 -0.44 0.07 0.00 0.00 179.01 176.67 2kga h ASP 37 N 0.00 0.33 -0.38 3.06 3.32 -1.22 -3.33 116.42 118.19 2kga h ASP 37 Ca 0.08 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2kga h ASP 37 Cb 0.44 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2kga h ASP 37 CO -0.00 1.46 0.00 2.30 -1.72 0.00 0.00 179.24 181.28 2kga n ILE 38 N -3.39 1.41 -2.81 0.35 -5.35 -0.77 -4.89 119.36 103.91 2kga n ILE 38 Ca -0.20 -0.79 -0.10 0.00 -0.27 0.00 0.00 62.75 61.39 2kga n ILE 38 Cb 1.05 -0.19 0.03 0.00 -1.74 0.00 0.00 39.64 38.78 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 0.60 0.22 3.56 3.28 0.00 -0.83 -4.94 105.19 107.08 2kga n GLY 39 Ca 0.16 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.99 3.22 0.46 1.61 1.51 0.13 -5.03 117.35 116.26 2kga s TYR 40 Ca 0.21 0.10 -0.10 0.00 -1.01 0.00 0.00 57.07 56.27 2kga s TYR 40 Cb -0.09 -2.63 -0.06 0.00 -0.11 0.00 0.00 41.96 39.08 2kga s TYR 40 CO 0.25 -0.36 0.83 -0.51 -1.11 0.00 0.00 175.55 174.65 2kga s ASP 41 N 1.71 6.43 0.37 2.29 1.11 -1.26 -4.38 116.67 122.94 2kga s ASP 41 Ca 0.12 1.16 0.12 0.00 0.18 0.00 0.00 52.55 54.13 2kga s ASP 41 Cb -0.16 -2.34 0.92 0.00 1.07 0.00 0.00 42.92 42.41 2kga s ASP 41 CO 0.11 -0.52 1.84 0.77 1.18 0.00 0.00 175.17 178.55 2kga h SER 42 N 0.77 0.58 0.20 0.27 4.64 -1.98 0.11 113.55 118.14 2kga h SER 42 Ca -0.47 0.05 0.01 0.00 -0.47 0.00 0.00 61.79 60.92 2kga h SER 42 Cb 1.19 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 2kga h SER 42 CO 0.63 0.24 -0.31 0.25 -0.87 0.00 0.00 176.83 176.78 2kga h LEU 43 N 0.58 -0.85 -1.35 5.97 5.85 -1.99 -0.27 115.31 123.25 2kga h LEU 43 Ca 0.49 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 59.23 2kga h LEU 43 Cb 0.96 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2kga h LEU 43 CO -0.23 -0.41 -0.27 0.00 -0.34 0.00 0.00 178.44 177.19 2kga h ALA 44 N 0.05 1.46 -0.41 1.25 0.00 -1.49 -1.14 119.26 118.98 2kga h ALA 44 Ca 0.01 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 2kga h ALA 44 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2kga h ALA 44 CO -0.13 0.39 -0.00 1.25 0.00 0.00 0.00 179.25 180.76 2kga h LEU 45 N 0.08 0.72 -0.81 0.00 5.85 -0.50 -0.66 115.31 119.99 2kga h LEU 45 Ca 0.01 -0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.32 2kga h LEU 45 Cb 0.52 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2kga h LEU 45 CO 0.04 0.85 -0.47 0.00 -0.34 0.00 0.00 178.44 178.52 2kga h MET 46 N 0.56 0.00 -0.58 1.25 -0.00 -0.47 -0.91 114.93 114.79 2kga h MET 46 Ca 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.81 2kga h MET 46 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.06 2kga h MET 46 CO 0.02 0.47 0.34 0.93 -0.00 0.00 0.00 176.91 178.67 2kga h GLU 47 N 0.00 0.79 0.56 -0.10 4.39 -0.86 0.18 114.58 119.54 2kga h GLU 47 Ca -0.00 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 2kga h GLU 47 Cb 1.01 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 29.50 2kga h GLU 47 CO 0.06 0.59 -0.27 1.15 -1.16 0.00 0.00 179.01 179.38 2kga h THR 48 N 0.78 0.44 0.01 1.13 2.02 -0.77 -2.12 112.91 114.39 2kga h THR 48 Ca 0.21 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.34 2kga h THR 48 Cb 0.01 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 2kga h THR 48 CO -0.04 0.01 -0.20 0.00 0.37 0.00 0.00 175.52 175.67 2kga h ALA 49 N -0.39 -0.26 -0.69 6.16 0.00 -0.94 -0.93 119.26 122.22 2kga h ALA 49 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2kga h ALA 49 Cb 0.60 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2kga h ALA 49 CO 0.13 -0.70 0.33 0.00 0.00 0.00 0.00 179.25 179.02 2kga h ALA 50 N 0.57 1.29 -0.40 0.00 0.00 -0.69 0.79 119.26 120.81 2kga h ALA 50 Ca 0.06 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2kga h ALA 50 Cb 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2kga h ALA 50 CO -0.18 0.55 -0.20 -0.09 0.00 0.00 0.00 179.25 179.33 2kga h ARG 51 N 0.97 0.78 -0.35 0.00 2.43 -1.05 -1.54 114.38 115.64 2kga h ARG 51 Ca 0.24 -0.31 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 2kga h ARG 51 Cb 0.10 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2kga h ARG 51 CO -0.03 0.92 -0.23 -0.07 -1.51 0.00 0.00 179.97 179.05 2kga h LEU 52 N 0.69 0.80 0.39 3.80 3.38 -0.29 -1.50 115.31 122.58 2kga h LEU 52 Ca 0.10 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2kga h LEU 52 Cb 0.71 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2kga h LEU 52 CO 0.05 1.06 -0.22 -0.33 0.09 0.00 0.00 178.44 179.10 2kga h GLU 53 N 0.55 -0.55 -0.40 1.13 5.08 -0.68 0.10 114.58 119.81 2kga h GLU 53 Ca 0.07 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2kga h GLU 53 Cb 0.79 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2kga h GLU 53 CO 0.06 -0.36 0.19 0.66 -1.00 0.00 0.00 179.01 178.55 2kga h SER 54 N -0.57 0.54 0.00 1.42 4.64 -1.32 0.46 113.55 118.72 2kga h SER 54 Ca -0.05 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2kga h SER 54 Cb 0.45 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2kga h SER 54 CO 0.06 0.52 -0.00 -0.09 -0.87 0.00 0.00 176.83 176.45 2kga h ARG 55 N 0.51 -0.00 -0.00 4.77 2.43 -1.19 -3.32 114.38 117.58 2kga h ARG 55 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2kga h ARG 55 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2kga h ARG 55 CO -0.02 0.41 -0.53 0.66 -1.51 0.00 0.00 179.97 178.99 2kga n TYR 56 N -4.89 0.00 -2.47 2.20 4.02 0.35 -4.96 117.16 111.40 2kga n TYR 56 Ca -0.08 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.75 2kga n TYR 56 Cb 0.22 -0.16 0.03 0.00 -0.02 0.00 0.00 39.34 39.40 2kga n TYR 56 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2kga n GLY 57 N 1.46 0.16 3.57 2.72 0.00 0.08 -5.01 105.19 108.17 2kga n GLY 57 Ca 0.07 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.13 1.21 -0.16 1.61 -7.23 -0.75 -4.96 120.40 106.99 2kga s VAL 58 Ca 0.01 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.16 2kga s VAL 58 Cb -0.00 -2.59 0.05 0.00 0.56 0.00 0.00 36.38 34.40 2kga s VAL 58 CO 0.26 0.00 0.02 -0.44 -0.31 0.00 0.00 175.10 174.62 2kga s SER 59 N -3.65 2.63 -0.40 4.85 0.01 -1.26 -4.56 113.70 111.32 2kga s SER 59 Ca 0.26 -0.65 -0.10 0.00 1.31 0.00 0.00 55.95 56.77 2kga s SER 59 Cb 0.06 -0.61 0.05 0.00 0.21 0.00 0.00 66.02 65.73 2kga s SER 59 CO 0.13 -0.27 0.24 -0.63 0.41 0.00 0.00 173.24 173.12 2kga s ILE 60 N 1.85 4.45 0.72 1.44 1.01 -1.26 -5.03 121.20 124.38 2kga s ILE 60 Ca 0.00 -1.11 -0.13 0.00 0.00 0.00 0.00 60.65 59.41 2kga s ILE 60 Cb -0.16 -3.60 0.03 0.00 0.01 0.00 0.00 42.46 38.74 2kga s ILE 60 CO -0.07 -0.37 1.12 -2.84 0.00 0.00 0.00 174.94 172.78 2kga s PRO 61 N 1.50 2.43 0.39 2.79 0.02 -1.26 -4.78 135.00 136.09 2kga s PRO 61 Ca 0.02 1.40 0.09 0.00 0.02 0.00 0.00 61.00 62.53 2kga s PRO 61 Cb -0.21 -1.90 0.85 0.00 0.02 0.00 0.00 34.50 33.26 2kga s PRO 61 CO 0.05 -1.54 1.97 0.22 -0.33 0.00 0.00 177.00 177.37 2kga h ASP 62 N -0.46 0.55 -0.26 2.53 1.82 -1.98 0.18 116.42 118.80 2kga h ASP 62 Ca -0.46 0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 56.03 2kga h ASP 62 Cb 1.25 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 41.14 2kga h ASP 62 CO 0.52 0.35 -0.45 0.44 -1.61 0.00 0.00 179.24 178.49 2kga h ASP 63 N 0.62 0.89 0.06 2.28 5.19 -1.98 -2.34 116.42 121.14 2kga h ASP 63 Ca 0.29 -0.43 -0.13 0.00 -0.62 0.00 0.00 57.03 56.14 2kga h ASP 63 Cb 0.35 -0.25 0.01 0.00 0.18 0.00 0.00 39.33 39.62 2kga h ASP 63 CO -0.09 1.20 -0.56 0.58 -3.12 0.00 0.00 179.24 177.24 2kga h VAL 64 N 0.66 1.53 -0.08 -1.35 2.07 -1.61 -2.68 116.25 114.79 2kga h VAL 64 Ca 0.04 -2.30 0.01 0.00 0.82 0.00 0.00 66.70 65.27 2kga h VAL 64 Cb 1.02 3.00 -0.00 0.00 -1.52 0.00 0.00 31.29 33.79 2kga h VAL 64 CO 0.10 0.64 0.05 0.00 0.02 0.00 0.00 177.57 178.39 2kga h ALA 65 N 0.16 2.00 -0.01 1.67 0.00 -0.70 -1.34 119.26 121.04 2kga h ALA 65 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kga h ALA 65 Cb 1.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2kga h ALA 65 CO 0.11 -0.01 -0.49 0.41 0.00 0.00 0.00 179.25 179.27 2kga n GLY 66 N -1.54 -0.45 0.18 0.00 0.00 -0.88 -4.13 105.19 98.37 2kga n GLY 66 Ca -0.02 -0.53 0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.58 0.43 -2.88 1.61 1.85 -0.53 -4.85 116.66 111.71 2kga n ARG 67 Ca 0.09 -0.36 -0.43 0.00 -1.00 0.00 0.00 57.85 56.15 2kga n ARG 67 Cb 0.40 -1.49 -0.04 0.00 -1.05 0.00 0.00 32.46 30.27 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 -2.81 4.48 -0.14 8.89 -7.23 -1.05 -4.87 120.40 117.67 2kga s VAL 68 Ca 0.12 0.33 -0.18 0.00 -1.81 0.00 0.00 61.98 60.44 2kga s VAL 68 Cb 0.17 -4.47 -0.25 0.00 0.56 0.00 0.00 36.38 32.39 2kga s VAL 68 CO 0.76 -0.98 0.46 0.44 -0.31 0.00 0.00 175.10 175.47 2kga h ASP 69 N 9.20 0.23 -2.97 4.85 3.32 -1.93 -3.46 116.42 125.65 2kga h ASP 69 Ca -0.26 -0.77 -0.64 0.00 0.02 0.00 0.00 57.03 55.38 2kga h ASP 69 Cb 1.08 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.48 2kga h ASP 69 CO 1.05 1.53 -0.54 0.42 -1.72 0.00 0.00 179.24 179.98 2kga s THR 70 N -2.42 5.07 0.54 0.35 -4.23 -1.26 -0.54 115.64 113.15 2kga s THR 70 Ca -0.23 -0.34 0.24 0.00 -1.18 0.00 0.00 61.69 60.18 2kga s THR 70 Cb 0.04 -3.37 0.37 0.00 1.34 0.00 0.00 72.50 70.88 2kga s THR 70 CO 0.70 0.29 2.04 -0.65 -0.54 0.00 0.00 174.62 176.46 2kga h PRO 71 N 3.79 0.00 -0.86 3.99 0.11 -1.72 -1.67 132.00 135.63 2kga h PRO 71 Ca -0.48 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.75 2kga h PRO 71 Cb 1.18 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.20 2kga h PRO 71 CO 0.67 0.00 0.47 0.07 -0.21 0.00 0.00 178.00 179.00 2kga h ARG 72 N 0.00 0.70 -0.54 1.05 0.11 -1.91 0.36 114.38 114.14 2kga h ARG 72 Ca 0.18 -0.04 -0.10 0.00 0.10 0.00 0.00 59.98 60.12 2kga h ARG 72 Cb 0.76 -0.16 -0.02 0.00 1.11 0.00 0.00 29.97 31.66 2kga h ARG 72 CO -0.00 0.46 -0.06 0.93 0.10 0.00 0.00 179.97 181.40 2kga h GLU 73 N 0.72 0.98 -0.33 0.08 4.39 -1.66 -0.72 114.58 118.04 2kga h GLU 73 Ca 0.44 -0.32 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 2kga h GLU 73 Cb 0.54 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2kga h GLU 73 CO -0.31 1.00 -0.17 1.25 -1.16 0.00 0.00 179.01 179.62 2kga h LEU 74 N 0.88 0.72 -0.19 1.33 7.12 -1.33 -2.15 115.31 121.70 2kga h LEU 74 Ca 0.15 -0.41 0.04 0.00 0.13 0.00 0.00 57.88 57.79 2kga h LEU 74 Cb 0.60 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 40.48 2kga h LEU 74 CO 0.04 0.97 -0.08 0.25 -0.13 0.00 0.00 178.44 179.50 2kga h LEU 75 N 0.47 -0.26 -1.20 2.25 5.85 0.02 -1.22 115.31 121.22 2kga h LEU 75 Ca 0.07 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.91 2kga h LEU 75 Cb 0.70 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 2kga h LEU 75 CO 0.05 -0.10 0.56 -0.78 -0.34 0.00 0.00 178.44 177.83 2kga h ASP 76 N -0.05 0.88 -0.34 1.25 3.58 -1.07 -1.39 116.42 119.28 2kga h ASP 76 Ca 0.10 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 2kga h ASP 76 Cb 0.20 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2kga h ASP 76 CO -0.22 0.59 0.14 0.25 -2.88 0.00 0.00 179.24 177.12 2kga h LEU 77 N 1.02 0.46 0.37 2.28 7.12 -0.64 0.18 115.31 126.09 2kga h LEU 77 Ca 0.35 -0.16 -0.02 0.00 0.13 0.00 0.00 57.88 58.18 2kga h LEU 77 Cb 0.10 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 2kga h LEU 77 CO -0.11 0.49 -0.18 0.40 -0.13 0.00 0.00 178.44 178.91 2kga h ILE 78 N 0.40 0.63 0.00 4.05 1.08 -0.62 0.15 117.51 123.20 2kga h ILE 78 Ca 0.11 -0.34 -0.03 0.00 -0.39 0.00 0.00 64.86 64.22 2kga h ILE 78 Cb 0.17 0.80 -0.00 0.00 -3.07 0.00 0.00 36.82 34.72 2kga h ILE 78 CO -0.01 0.06 -0.12 0.78 -0.69 0.00 0.00 178.15 178.17 2kga h ASN 79 N -0.69 0.00 -0.40 1.72 2.35 -1.27 0.16 115.58 117.45 2kga h ASN 79 Ca -0.05 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.56 2kga h ASN 79 Cb 0.49 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 2kga h ASN 79 CO 0.08 0.12 -0.30 1.23 -1.65 0.00 0.00 177.43 176.91 2kga h GLY 80 N 0.38 1.01 1.82 2.83 0.00 -0.28 0.15 103.07 108.98 2kga h GLY 80 Ca -0.00 -0.96 -0.15 0.00 0.00 0.00 0.00 47.33 46.21 2kga h GLY 80 CO 0.02 0.87 -0.67 0.00 0.00 0.00 0.00 176.54 176.76 2kga h ALA 81 N 0.86 0.79 -0.10 3.60 0.00 0.08 -2.89 119.26 121.60 2kga h ALA 81 Ca 0.08 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 54.28 2kga h ALA 81 Cb 0.88 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2kga h ALA 81 CO 0.08 0.79 -0.47 -0.07 0.00 0.00 0.00 179.25 179.58 2kga h LEU 82 N 0.12 0.27 -1.93 0.00 3.38 -0.50 -2.54 115.31 114.11 2kga h LEU 82 Ca -0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2kga h LEU 82 Cb 1.20 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2kga h LEU 82 CO 0.10 0.70 -0.11 0.00 0.09 0.00 0.00 178.44 179.22 2kga h ALA 83 N 1.31 1.29 0.00 1.53 0.00 -0.51 -1.15 119.26 121.74 2kga h ALA 83 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kga h ALA 83 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2kga h ALA 83 CO 0.07 0.14 -0.12 1.49 0.00 0.00 0.00 179.25 180.83 2kga h GLU 84 N 0.00 0.00 -6.20 0.00 4.57 -1.30 -3.44 114.58 108.21 2kga h GLU 84 Ca -0.00 0.00 -0.56 0.00 -1.18 0.00 0.00 59.36 57.62 2kga h GLU 84 Cb 0.32 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 2kga h GLU 84 CO 0.01 0.00 0.89 0.00 -1.18 0.00 0.00 179.01 178.73 2kga s ALA 85 N -3.23 3.63 -3.00 2.92 0.00 -0.44 -5.12 121.76 116.53 2kga s ALA 85 Ca 0.06 0.56 0.24 0.00 0.00 0.00 0.00 51.96 52.82 2kga s ALA 85 Cb 0.06 -3.62 0.20 0.00 0.00 0.00 0.00 23.12 19.76 2kga s ALA 85 CO 0.68 -1.12 1.26 0.00 0.00 0.00 0.00 175.76 176.59