#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 3.42 -0.60 3.04 0.00 -1.26 -4.98 121.76 121.37 2kga s ALA 2 Ca 0.00 0.43 -0.26 0.00 0.00 0.00 0.00 51.96 52.12 2kga s ALA 2 Cb 0.00 -3.03 0.04 0.00 0.00 0.00 0.00 23.12 20.13 2kga s ALA 2 CO 0.00 0.26 1.12 0.99 0.00 0.00 0.00 175.76 178.12 2kga s THR 3 N -1.10 4.10 0.57 0.00 2.01 -1.26 -5.00 115.64 114.97 2kga s THR 3 Ca 0.37 0.56 -0.08 0.00 0.31 0.00 0.00 61.69 62.85 2kga s THR 3 Cb -0.24 -4.70 -0.03 0.00 0.01 0.00 0.00 72.50 67.55 2kga s THR 3 CO 0.28 -1.36 0.93 -0.76 -0.69 0.00 0.00 174.62 173.02 2kga s LEU 4 N 4.72 3.35 -0.01 4.42 1.43 -1.26 -5.03 118.68 126.29 2kga s LEU 4 Ca 0.37 1.14 -0.26 0.00 -1.03 0.00 0.00 54.13 54.35 2kga s LEU 4 Cb -0.10 -4.11 -0.04 0.00 0.03 0.00 0.00 46.19 41.97 2kga s LEU 4 CO 0.21 -0.82 0.80 -0.22 0.23 0.00 0.00 176.35 176.55 2kga s LEU 5 N -5.01 4.37 0.46 1.79 0.20 -1.26 -5.04 118.68 114.19 2kga s LEU 5 Ca 0.52 1.41 0.07 0.00 0.69 0.00 0.00 54.13 56.82 2kga s LEU 5 Cb -0.11 -3.27 0.03 0.00 -0.43 0.00 0.00 46.19 42.41 2kga s LEU 5 CO 0.49 -0.11 0.63 0.42 -0.29 0.00 0.00 176.35 177.49 2kga s THR 6 N 0.58 2.82 0.16 3.68 -4.23 -1.26 -4.94 115.64 112.46 2kga s THR 6 Ca 0.42 -0.95 -0.16 0.00 -1.18 0.00 0.00 61.69 59.82 2kga s THR 6 Cb -0.20 -2.87 0.07 0.00 1.34 0.00 0.00 72.50 70.84 2kga s THR 6 CO 0.22 0.00 1.70 0.74 -0.54 0.00 0.00 174.62 176.75 2kga h THR 7 N 0.48 0.71 -0.75 3.99 2.02 -1.98 0.34 112.91 117.73 2kga h THR 7 Ca -0.39 -0.04 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 2kga h THR 7 Cb 1.28 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 2kga h THR 7 CO 0.45 0.02 0.23 0.44 0.37 0.00 0.00 175.52 177.03 2kga h ASP 8 N 0.11 1.10 -0.45 4.18 3.32 -1.96 0.26 116.42 122.97 2kga h ASP 8 Ca 0.19 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 2kga h ASP 8 Cb 0.27 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2kga h ASP 8 CO -0.31 1.02 0.05 -0.78 -1.72 0.00 0.00 179.24 177.50 2kga h ASP 9 N 1.12 0.74 -0.22 6.45 1.82 -1.81 -1.51 116.42 123.00 2kga h ASP 9 Ca 0.24 -0.28 -0.02 0.00 -0.39 0.00 0.00 57.03 56.59 2kga h ASP 9 Cb 0.32 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 2kga h ASP 9 CO -0.01 0.83 0.07 0.25 -1.61 0.00 0.00 179.24 178.78 2kga h LEU 10 N 0.62 0.32 -0.85 2.28 5.85 -0.72 -2.72 115.31 120.09 2kga h LEU 10 Ca 0.13 -0.20 0.17 0.00 0.84 0.00 0.00 57.88 58.83 2kga h LEU 10 Cb 0.42 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.26 2kga h LEU 10 CO 0.01 0.43 0.41 -0.09 -0.34 0.00 0.00 178.44 178.86 2kga h ARG 11 N 0.20 0.52 0.07 1.25 2.43 -0.11 -0.85 114.38 117.88 2kga h ARG 11 Ca 0.07 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2kga h ARG 11 Cb 0.22 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2kga h ARG 11 CO -0.00 0.34 -0.16 0.00 -1.51 0.00 0.00 179.97 178.64 2kga h ARG 12 N 0.53 -0.29 -0.51 0.20 3.08 -0.96 0.59 114.38 117.02 2kga h ARG 12 Ca 0.49 0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.47 2kga h ARG 12 Cb 0.78 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 2kga h ARG 12 CO -0.42 -0.20 -0.03 0.00 -1.07 0.00 0.00 179.97 178.26 2kga h ALA 13 N 0.57 0.99 0.13 0.04 0.00 -1.34 0.52 119.26 120.17 2kga h ALA 13 Ca 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2kga h ALA 13 Cb 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kga h ALA 13 CO -0.11 0.61 -0.06 -0.07 0.00 0.00 0.00 179.25 179.63 2kga h LEU 14 N 0.81 -0.15 -0.87 0.00 -0.00 -0.88 -3.18 115.31 111.04 2kga h LEU 14 Ca 0.15 -0.27 -0.10 0.00 -0.00 0.00 0.00 57.88 57.66 2kga h LEU 14 Cb 0.52 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.21 2kga h LEU 14 CO 0.03 0.20 -0.28 1.62 -0.00 0.00 0.00 178.44 180.00 2kga h VAL 15 N -0.52 1.27 0.00 1.22 3.04 0.40 -1.63 116.25 120.03 2kga h VAL 15 Ca -0.02 -1.34 -0.04 0.00 -1.01 0.00 0.00 66.70 64.29 2kga h VAL 15 Cb 0.41 1.39 -0.01 0.00 -2.01 0.00 0.00 31.29 31.08 2kga h VAL 15 CO 0.03 0.43 -0.20 1.05 -1.01 0.00 0.00 177.57 177.87 2kga h GLU 16 N 0.44 0.00 0.00 4.17 4.11 -0.98 -0.85 114.58 121.46 2kga h GLU 16 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 2kga h GLU 16 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2kga h GLU 16 CO 0.06 0.20 -0.08 0.77 0.07 0.00 0.00 179.01 180.02 2kga h SER 17 N 0.00 0.00 0.11 3.06 0.02 -1.38 -3.44 113.55 111.92 2kga h SER 17 Ca -0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 2kga h SER 17 Cb 0.37 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2kga h SER 17 CO 0.03 0.29 -2.05 0.00 -1.14 0.00 0.00 176.83 173.96 2kga n ALA 18 N -2.57 0.95 -2.38 3.77 0.00 -0.67 -4.74 120.51 114.88 2kga n ALA 18 Ca -0.01 -0.65 -0.43 0.00 0.00 0.00 0.00 53.44 52.35 2kga n ALA 18 Cb 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2kga n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kga n GLY 19 N 2.02 3.46 3.76 0.00 0.00 -0.33 -4.97 105.19 109.14 2kga n GLY 19 Ca -0.34 -1.66 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 2kga n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kga s GLU 20 N 3.10 3.21 -0.97 1.61 -1.05 -1.26 -4.62 118.70 118.72 2kga s GLU 20 Ca 0.49 1.78 -0.08 0.00 -0.15 0.00 0.00 54.97 57.01 2kga s GLU 20 Cb 0.06 -2.04 -0.14 0.00 -0.44 0.00 0.00 34.13 31.58 2kga s GLU 20 CO 0.01 -1.01 2.96 0.25 0.95 0.00 0.00 175.26 178.42 2kga n THR 21 N -1.31 3.48 0.06 1.83 -2.24 -1.26 -4.04 114.28 110.80 2kga n THR 21 Ca 0.12 -1.99 -0.10 0.00 -2.27 0.00 0.00 64.05 59.81 2kga n THR 21 Cb 0.49 -2.32 -0.13 0.00 -2.10 0.00 0.00 70.33 66.28 2kga n THR 21 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2kga h ASP 22 N 4.62 0.14 -0.45 3.42 1.82 -1.96 -3.49 116.42 120.52 2kga h ASP 22 Ca 0.58 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 57.05 2kga h ASP 22 Cb 0.63 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.60 2kga h ASP 22 CO 1.21 1.13 0.00 0.61 -1.61 0.00 0.00 179.24 180.59 2kga n GLY 23 N 1.46 2.32 1.70 -0.78 0.00 -1.26 -5.02 105.19 103.62 2kga n GLY 23 Ca -0.07 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 2kga n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kga n THR 24 N 0.00 2.32 -2.28 2.61 -2.24 -1.26 -4.92 114.28 108.51 2kga n THR 24 Ca 0.00 -1.18 -0.42 0.00 -2.27 0.00 0.00 64.05 60.18 2kga n THR 24 Cb 0.00 -0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 67.26 2kga n THR 24 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kga s ASP 25 N -0.03 6.94 0.00 3.42 2.15 -1.26 -2.21 116.67 125.68 2kga s ASP 25 Ca 0.29 2.22 0.00 0.00 0.43 0.00 0.00 52.55 55.49 2kga s ASP 25 Cb 0.24 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 2kga s ASP 25 CO 0.03 -0.55 0.00 -0.11 -0.17 0.00 0.00 175.17 174.37 2kga n LEU 26 N 3.65 0.39 -4.37 -1.34 7.94 -1.26 -4.83 117.00 117.19 2kga n LEU 26 Ca 0.09 0.00 -0.46 0.00 -1.11 0.00 0.00 56.01 54.53 2kga n LEU 26 Cb 0.44 -0.88 -0.02 0.00 0.53 0.00 0.00 43.42 43.49 2kga n LEU 26 CO 0.57 -0.28 0.63 -0.44 -1.11 0.00 0.00 177.39 176.77 2kga s SER 27 N -2.35 6.78 0.00 1.96 0.01 -0.94 -4.75 113.70 114.41 2kga s SER 27 Ca 0.00 -2.59 0.00 0.00 1.31 0.00 0.00 55.95 54.67 2kga s SER 27 Cb 0.00 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2kga s SER 27 CO 0.00 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.57 2kga n GLY 28 N 4.31 -0.23 3.90 3.44 0.00 -1.26 -5.00 105.19 110.34 2kga n GLY 28 Ca 0.18 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2kga n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kga s ASP 29 N -4.00 6.44 0.00 1.61 2.15 -1.26 -4.96 116.67 116.66 2kga s ASP 29 Ca 0.00 0.46 0.00 0.00 0.43 0.00 0.00 52.55 53.44 2kga s ASP 29 Cb 0.00 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.58 2kga s ASP 29 CO 0.00 0.16 0.00 2.22 -0.17 0.00 0.00 175.17 177.38 2kga n PHE 30 N 0.49 0.00 -0.12 -5.34 -1.74 -1.26 -4.92 117.46 104.57 2kga n PHE 30 Ca -0.06 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 56.95 2kga n PHE 30 Cb 0.52 0.01 0.48 0.00 1.52 0.00 0.00 39.48 42.01 2kga n PHE 30 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 2kga h LEU 31 N 0.00 0.43 0.00 5.98 3.38 -1.95 -1.52 115.31 121.62 2kga h LEU 31 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kga h LEU 31 Cb 0.28 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2kga h LEU 31 CO 0.00 0.25 -0.81 -0.67 0.09 0.00 0.00 178.44 177.30 2kga n ASP 32 N -4.48 0.80 -4.77 -0.43 2.03 -1.26 -3.24 116.55 105.20 2kga n ASP 32 Ca 0.11 -0.69 -0.39 0.00 0.52 0.00 0.00 54.79 54.34 2kga n ASP 32 Cb 0.38 0.71 -0.06 0.00 -0.72 0.00 0.00 41.12 41.44 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 -3.02 4.49 0.25 -2.67 1.43 -0.57 -4.97 118.68 113.61 2kga s LEU 33 Ca 0.09 1.38 -0.23 0.00 -1.03 0.00 0.00 54.13 54.34 2kga s LEU 33 Cb 0.17 -3.10 -0.09 0.00 0.03 0.00 0.00 46.19 43.20 2kga s LEU 33 CO 0.80 0.13 0.82 -0.13 0.23 0.00 0.00 176.35 178.20 2kga s ARG 34 N -0.53 4.43 0.25 1.70 3.00 -1.26 -4.23 118.95 122.32 2kga s ARG 34 Ca 0.34 1.09 -0.04 0.00 0.00 0.00 0.00 55.73 57.12 2kga s ARG 34 Cb -0.20 -2.91 0.50 0.00 0.00 0.00 0.00 34.95 32.34 2kga s ARG 34 CO 0.21 0.38 1.68 0.74 0.00 0.00 0.00 175.30 178.31 2kga h PHE 35 N 3.46 0.28 -0.93 -0.53 0.04 -0.79 0.77 116.94 119.23 2kga h PHE 35 Ca -0.47 0.04 0.13 0.00 2.80 0.00 0.00 57.97 60.48 2kga h PHE 35 Cb 1.19 -0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.27 2kga h PHE 35 CO 0.63 -0.11 0.60 1.05 -0.60 0.00 0.00 178.31 179.87 2kga h GLU 36 N 0.26 0.78 0.00 1.51 4.11 -1.82 0.22 114.58 119.64 2kga h GLU 36 Ca 0.44 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.82 2kga h GLU 36 Cb 0.78 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2kga h GLU 36 CO -0.54 0.52 -0.92 0.38 0.07 0.00 0.00 179.01 178.51 2kga h ASP 37 N 0.81 0.00 -0.69 3.06 3.04 -1.23 -3.31 116.42 118.10 2kga h ASP 37 Ca 0.47 -0.01 -0.25 0.00 -3.24 0.00 0.00 57.03 54.00 2kga h ASP 37 Cb 0.63 0.00 -0.15 0.00 -1.04 0.00 0.00 39.33 38.77 2kga h ASP 37 CO -0.23 0.00 0.32 2.30 -2.04 0.00 0.00 179.24 179.59 2kga n ILE 38 N -2.70 2.65 -0.88 4.15 -5.35 -0.32 -4.88 119.36 112.03 2kga n ILE 38 Ca 0.00 -1.44 0.00 0.00 -0.27 0.00 0.00 62.75 61.05 2kga n ILE 38 Cb 0.55 -0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.00 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 -0.28 0.49 3.48 3.28 0.00 -1.09 -4.94 105.19 106.13 2kga n GLY 39 Ca 0.39 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.00 3.21 0.66 1.61 1.51 0.71 -4.98 117.35 118.06 2kga s TYR 40 Ca 0.00 -0.43 -0.05 0.00 -1.01 0.00 0.00 57.07 55.59 2kga s TYR 40 Cb 0.00 -2.71 0.05 0.00 -0.11 0.00 0.00 41.96 39.19 2kga s TYR 40 CO 0.00 -0.60 0.94 -0.51 -1.11 0.00 0.00 175.55 174.27 2kga s ASP 41 N 1.74 5.00 0.30 2.29 1.01 -1.26 -3.66 116.67 122.08 2kga s ASP 41 Ca 0.08 0.36 0.05 0.00 0.71 0.00 0.00 52.55 53.75 2kga s ASP 41 Cb -0.18 -1.10 0.70 0.00 1.01 0.00 0.00 42.92 43.35 2kga s ASP 41 CO 0.12 -1.44 1.77 0.77 0.21 0.00 0.00 175.17 176.60 2kga h SER 42 N -0.39 0.74 0.84 0.27 4.64 -1.98 -0.37 113.55 117.30 2kga h SER 42 Ca -0.44 0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 60.94 2kga h SER 42 Cb 1.31 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2kga h SER 42 CO 0.58 0.27 -0.49 0.25 -0.87 0.00 0.00 176.83 176.57 2kga h LEU 43 N 0.74 -1.21 -1.38 5.97 7.12 -2.00 -0.36 115.31 124.19 2kga h LEU 43 Ca 0.56 0.06 -0.06 0.00 0.13 0.00 0.00 57.88 58.57 2kga h LEU 43 Cb 0.86 0.34 -0.01 0.00 -0.53 0.00 0.00 40.66 41.32 2kga h LEU 43 CO -0.38 -0.77 -0.22 0.00 -0.13 0.00 0.00 178.44 176.95 2kga h ALA 44 N -1.24 1.49 -0.53 1.25 0.00 -1.85 -2.66 119.26 115.71 2kga h ALA 44 Ca -0.11 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2kga h ALA 44 Cb 0.98 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2kga h ALA 44 CO 0.14 0.37 0.10 1.25 0.00 0.00 0.00 179.25 181.10 2kga h LEU 45 N 0.13 0.83 -0.77 0.00 5.85 -0.85 -0.62 115.31 119.88 2kga h LEU 45 Ca 0.02 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 2kga h LEU 45 Cb 0.46 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2kga h LEU 45 CO 0.03 0.87 -0.24 0.00 -0.34 0.00 0.00 178.44 178.76 2kga h MET 46 N 0.76 0.67 -0.31 1.25 -0.00 -0.73 0.21 114.93 116.78 2kga h MET 46 Ca 0.16 -0.27 -0.02 0.00 -0.00 0.00 0.00 59.70 59.58 2kga h MET 46 Cb 0.39 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.94 2kga h MET 46 CO 0.01 0.85 0.12 0.93 -0.00 0.00 0.00 176.91 178.82 2kga h GLU 47 N 0.58 0.47 0.14 -0.10 5.08 -1.27 -0.95 114.58 118.53 2kga h GLU 47 Ca 0.08 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2kga h GLU 47 Cb 0.72 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2kga h GLU 47 CO 0.06 0.48 -0.08 1.15 -1.00 0.00 0.00 179.01 179.62 2kga h THR 48 N 0.35 0.82 -0.36 1.13 2.02 -0.85 -2.85 112.91 113.17 2kga h THR 48 Ca 0.10 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.34 2kga h THR 48 Cb 0.19 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 2kga h THR 48 CO -0.01 0.00 0.06 0.00 0.37 0.00 0.00 175.52 175.94 2kga h ALA 49 N 0.64 0.37 -0.84 6.16 0.00 -0.84 -2.59 119.26 122.17 2kga h ALA 49 Ca -0.01 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2kga h ALA 49 Cb 0.18 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2kga h ALA 49 CO 0.02 -0.35 0.55 0.00 0.00 0.00 0.00 179.25 179.47 2kga h ALA 50 N 1.28 1.58 -0.54 0.00 0.00 -1.06 -0.64 119.26 119.88 2kga h ALA 50 Ca 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2kga h ALA 50 Cb 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2kga h ALA 50 CO -0.24 0.29 0.17 0.00 0.00 0.00 0.00 179.25 179.48 2kga h ARG 51 N 0.93 0.85 -0.38 0.00 3.08 -1.23 -1.09 114.38 116.54 2kga h ARG 51 Ca 0.36 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 60.10 2kga h ARG 51 Cb 0.22 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2kga h ARG 51 CO -0.13 0.77 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.18 2kga h LEU 52 N 0.76 0.84 0.80 3.04 3.38 -1.11 -1.44 115.31 121.59 2kga h LEU 52 Ca 0.18 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2kga h LEU 52 Cb 0.28 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2kga h LEU 52 CO -0.01 1.08 -0.49 -0.33 0.09 0.00 0.00 178.44 178.79 2kga h GLU 53 N 0.69 -1.16 -0.56 1.13 5.08 -0.83 -0.73 114.58 118.20 2kga h GLU 53 Ca 0.08 0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2kga h GLU 53 Cb 0.84 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 2kga h GLU 53 CO 0.07 -0.77 0.27 0.77 -1.00 0.00 0.00 179.01 178.35 2kga h SER 54 N -1.20 0.73 -0.28 1.42 0.02 -1.21 -0.14 113.55 112.88 2kga h SER 54 Ca -0.11 -0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 60.60 2kga h SER 54 Cb 0.96 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 2kga h SER 54 CO 0.11 0.66 -0.28 -0.09 -1.14 0.00 0.00 176.83 176.09 2kga h ARG 55 N 0.75 0.68 -0.07 3.45 2.43 -1.25 -3.30 114.38 117.08 2kga h ARG 55 Ca 0.19 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2kga h ARG 55 Cb 0.12 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2kga h ARG 55 CO -0.02 0.97 0.00 0.66 -1.51 0.00 0.00 179.97 180.07 2kga n TYR 56 N -4.28 0.06 -1.97 2.20 4.01 -0.29 -4.94 117.16 111.95 2kga n TYR 56 Ca -0.04 -0.03 -0.03 0.00 -0.16 0.00 0.00 57.90 57.64 2kga n TYR 56 Cb 0.47 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.49 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 1.37 0.29 3.86 2.72 0.00 -0.21 -5.03 105.19 108.18 2kga n GLY 57 Ca 0.15 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.12 2.20 -0.08 1.61 -7.23 -0.36 -4.98 120.40 109.44 2kga s VAL 58 Ca 0.00 -1.47 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 2kga s VAL 58 Cb 0.00 -2.67 0.04 0.00 0.56 0.00 0.00 36.38 34.31 2kga s VAL 58 CO 0.00 0.00 0.09 -0.94 -0.31 0.00 0.00 175.10 173.94 2kga s SER 59 N -4.15 1.30 -0.39 4.85 1.04 -1.26 -4.37 113.70 110.73 2kga s SER 59 Ca 0.42 -0.01 -0.16 0.00 0.48 0.00 0.00 55.95 56.68 2kga s SER 59 Cb -0.01 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.04 2kga s SER 59 CO 0.24 -0.27 0.36 -0.63 0.98 0.00 0.00 173.24 173.92 2kga s ILE 60 N 2.19 5.18 0.43 -1.02 1.01 -1.26 -5.06 121.20 122.66 2kga s ILE 60 Ca 0.04 -0.31 -0.24 0.00 0.00 0.00 0.00 60.65 60.14 2kga s ILE 60 Cb -0.13 -3.91 -0.08 0.00 0.01 0.00 0.00 42.46 38.35 2kga s ILE 60 CO -0.05 -0.26 1.13 -2.84 0.00 0.00 0.00 174.94 172.92 2kga s PRO 61 N 1.93 3.94 0.31 2.79 0.02 -1.26 -4.86 135.00 137.87 2kga s PRO 61 Ca 0.09 1.70 0.05 0.00 0.02 0.00 0.00 61.00 62.86 2kga s PRO 61 Cb -0.17 -2.50 0.68 0.00 0.02 0.00 0.00 34.50 32.53 2kga s PRO 61 CO 0.12 -0.38 1.82 0.22 -0.33 0.00 0.00 177.00 178.45 2kga h ASP 62 N 2.29 0.82 0.62 2.53 1.82 -1.97 0.16 116.42 122.69 2kga h ASP 62 Ca -0.49 0.06 -0.12 0.00 -0.39 0.00 0.00 57.03 56.09 2kga h ASP 62 Cb 1.23 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 41.13 2kga h ASP 62 CO 0.61 0.38 -0.58 0.44 -1.61 0.00 0.00 179.24 178.48 2kga h ASP 63 N 0.85 0.00 0.07 2.28 5.19 -1.97 0.32 116.42 123.15 2kga h ASP 63 Ca 0.52 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.83 2kga h ASP 63 Cb 0.70 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.22 2kga h ASP 63 CO -0.29 0.58 -0.44 0.58 -3.12 0.00 0.00 179.24 176.54 2kga h VAL 64 N 0.00 1.61 -0.01 -1.35 2.07 -1.56 -2.91 116.25 114.10 2kga h VAL 64 Ca -0.01 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.14 2kga h VAL 64 Cb 1.05 3.19 -0.00 0.00 -1.52 0.00 0.00 31.29 34.01 2kga h VAL 64 CO 0.08 0.65 0.01 0.00 0.02 0.00 0.00 177.57 178.32 2kga h ALA 65 N 0.09 1.96 -0.00 1.67 0.00 -0.62 -0.05 119.26 122.30 2kga h ALA 65 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kga h ALA 65 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2kga h ALA 65 CO 0.08 -0.01 -0.18 0.41 0.00 0.00 0.00 179.25 179.55 2kga n GLY 66 N -1.52 -1.13 0.01 0.00 0.00 0.09 -3.69 105.19 98.94 2kga n GLY 66 Ca -0.03 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.20 0.54 -2.74 1.61 1.85 -0.11 -4.90 116.66 111.71 2kga n ARG 67 Ca 0.10 -0.15 -0.43 0.00 -1.00 0.00 0.00 57.85 56.38 2kga n ARG 67 Cb 0.31 -1.39 -0.04 0.00 -1.05 0.00 0.00 32.46 30.30 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 -3.12 4.23 -0.15 8.89 -7.23 -0.72 -4.81 120.40 117.48 2kga s VAL 68 Ca -0.06 0.44 0.06 0.00 -1.81 0.00 0.00 61.98 60.62 2kga s VAL 68 Cb 0.11 -4.63 -0.23 0.00 0.56 0.00 0.00 36.38 32.19 2kga s VAL 68 CO 0.69 -1.25 0.23 0.47 -0.31 0.00 0.00 175.10 174.93 2kga n ASP 69 N 7.89 1.29 -4.85 4.85 8.00 -1.26 -4.86 116.55 127.60 2kga n ASP 69 Ca 0.04 0.13 -0.35 0.00 0.71 0.00 0.00 54.79 55.31 2kga n ASP 69 Cb 0.48 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.39 2kga n ASP 69 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2kga s THR 70 N -2.54 5.27 0.58 -3.53 -4.23 -1.26 -0.04 115.64 109.89 2kga s THR 70 Ca -0.18 0.01 0.28 0.00 -1.18 0.00 0.00 61.69 60.61 2kga s THR 70 Cb 0.07 -3.34 0.35 0.00 1.34 0.00 0.00 72.50 70.93 2kga s THR 70 CO 0.76 0.52 2.15 -0.65 -0.54 0.00 0.00 174.62 176.86 2kga h PRO 71 N 4.64 0.00 -0.41 3.99 0.11 -1.73 -1.14 132.00 137.46 2kga h PRO 71 Ca -0.52 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.67 2kga h PRO 71 Cb 1.21 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 2kga h PRO 71 CO 0.61 0.00 -0.12 -0.09 -0.21 0.00 0.00 178.00 178.18 2kga h ARG 72 N 0.00 -0.03 -0.53 1.05 2.43 -1.87 0.35 114.38 115.79 2kga h ARG 72 Ca 0.06 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 2kga h ARG 72 Cb 0.32 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2kga h ARG 72 CO -0.00 -0.02 -0.08 0.93 -1.51 0.00 0.00 179.97 179.29 2kga h GLU 73 N -0.03 0.96 -0.18 0.20 5.08 -1.53 -1.08 114.58 118.00 2kga h GLU 73 Ca 0.20 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 2kga h GLU 73 Cb 0.33 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2kga h GLU 73 CO -0.44 0.99 -0.04 1.25 -1.00 0.00 0.00 179.01 179.77 2kga h LEU 74 N 0.86 0.35 -0.96 1.33 7.12 -1.25 -2.21 115.31 120.55 2kga h LEU 74 Ca 0.14 -0.37 0.05 0.00 0.13 0.00 0.00 57.88 57.84 2kga h LEU 74 Cb 0.62 -0.10 -0.06 0.00 -0.53 0.00 0.00 40.66 40.59 2kga h LEU 74 CO 0.04 0.63 0.62 0.25 -0.13 0.00 0.00 178.44 179.86 2kga h LEU 75 N 0.06 1.01 -0.73 2.25 5.85 -0.18 -1.52 115.31 122.05 2kga h LEU 75 Ca 0.05 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.83 2kga h LEU 75 Cb 0.48 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 2kga h LEU 75 CO 0.02 0.66 0.43 -0.78 -0.34 0.00 0.00 178.44 178.43 2kga h ASP 76 N 1.16 0.65 -0.57 1.25 3.58 -0.99 0.85 116.42 122.36 2kga h ASP 76 Ca 0.40 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.83 2kga h ASP 76 Cb 0.10 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 2kga h ASP 76 CO -0.15 0.42 0.17 0.25 -2.88 0.00 0.00 179.24 177.05 2kga h LEU 77 N 0.79 0.83 0.63 2.28 5.85 -0.67 0.30 115.31 125.32 2kga h LEU 77 Ca 0.32 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2kga h LEU 77 Cb 0.18 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.00 2kga h LEU 77 CO -0.18 0.82 -0.30 0.40 -0.34 0.00 0.00 178.44 178.84 2kga h ILE 78 N 0.80 0.18 -0.12 4.05 1.08 -0.71 -1.51 117.51 121.28 2kga h ILE 78 Ca 0.18 -0.33 -0.03 0.00 -0.39 0.00 0.00 64.86 64.29 2kga h ILE 78 Cb 0.29 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 2kga h ILE 78 CO -0.01 0.03 -0.09 0.78 -0.69 0.00 0.00 178.15 178.17 2kga h ASN 79 N -1.12 0.16 -0.42 1.72 2.35 -0.86 -0.44 115.58 116.97 2kga h ASN 79 Ca -0.09 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.56 2kga h ASN 79 Cb 0.69 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 2kga h ASN 79 CO 0.14 0.27 -0.03 1.23 -1.65 0.00 0.00 177.43 177.40 2kga h GLY 80 N 0.57 0.90 1.87 2.83 0.00 -0.34 0.21 103.07 109.12 2kga h GLY 80 Ca 0.04 -0.62 -0.15 0.00 0.00 0.00 0.00 47.33 46.59 2kga h GLY 80 CO 0.01 0.58 -0.66 0.00 0.00 0.00 0.00 176.54 176.47 2kga h ALA 81 N 1.20 0.84 -0.37 3.60 0.00 -0.21 -1.00 119.26 123.31 2kga h ALA 81 Ca 0.14 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 2kga h ALA 81 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2kga h ALA 81 CO 0.03 0.79 -0.39 -0.07 0.00 0.00 0.00 179.25 179.61 2kga h LEU 82 N 0.09 0.96 -1.29 0.00 3.38 -0.61 0.13 115.31 117.97 2kga h LEU 82 Ca -0.01 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.46 2kga h LEU 82 Cb 1.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2kga h LEU 82 CO 0.09 1.23 -0.16 0.00 0.09 0.00 0.00 178.44 179.69 2kga h ALA 83 N 0.82 1.42 -0.30 1.53 0.00 -0.46 -2.34 119.26 119.92 2kga h ALA 83 Ca 0.06 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 2kga h ALA 83 Cb 0.97 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2kga h ALA 83 CO 0.09 0.41 -0.39 1.49 0.00 0.00 0.00 179.25 180.84 2kga h GLU 84 N 0.26 0.79 -0.74 0.00 4.81 -0.86 -3.50 114.58 115.34 2kga h GLU 84 Ca 0.05 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2kga h GLU 84 Cb 0.45 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2kga h GLU 84 CO 0.03 1.09 -0.18 0.00 -0.73 0.00 0.00 179.01 179.21 2kga n ALA 85 N -2.53 -1.93 0.94 2.92 0.00 0.43 -5.08 120.51 115.25 2kga n ALA 85 Ca -0.04 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.60 2kga n ALA 85 Cb 0.54 -0.68 0.09 0.00 0.00 0.00 0.00 19.45 19.40 2kga n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50