#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 3.49 -0.45 3.04 0.00 -1.26 -4.81 121.76 121.77 2kga s ALA 2 Ca 0.00 -2.92 -0.28 0.00 0.00 0.00 0.00 51.96 48.76 2kga s ALA 2 Cb 0.00 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 2kga s ALA 2 CO 0.00 -2.00 1.81 0.99 0.00 0.00 0.00 175.76 176.56 2kga s THR 3 N 0.59 3.45 -0.06 0.00 2.01 -1.26 -4.94 115.64 115.43 2kga s THR 3 Ca 0.12 0.39 0.02 0.00 0.31 0.00 0.00 61.69 62.54 2kga s THR 3 Cb -0.21 -3.79 0.01 0.00 0.01 0.00 0.00 72.50 68.52 2kga s THR 3 CO -0.03 -0.63 -0.12 -0.76 -0.69 0.00 0.00 174.62 172.39 2kga s LEU 4 N 7.82 1.66 -0.23 4.42 1.43 -1.26 -4.03 118.68 128.49 2kga s LEU 4 Ca 0.74 -0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 53.43 2kga s LEU 4 Cb -0.18 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 2kga s LEU 4 CO 0.28 0.04 0.27 -0.22 0.23 0.00 0.00 176.35 176.96 2kga s LEU 5 N 0.56 4.12 0.43 1.79 0.20 -1.26 -5.08 118.68 119.44 2kga s LEU 5 Ca -0.12 0.28 0.08 0.00 0.69 0.00 0.00 54.13 55.06 2kga s LEU 5 Cb -0.14 -2.29 0.01 0.00 -0.43 0.00 0.00 46.19 43.34 2kga s LEU 5 CO 0.03 -0.02 0.56 0.42 -0.29 0.00 0.00 176.35 177.05 2kga s THR 6 N 1.29 2.88 0.34 3.68 -4.23 -1.26 -4.92 115.64 113.42 2kga s THR 6 Ca 0.13 -1.05 0.08 0.00 -1.18 0.00 0.00 61.69 59.67 2kga s THR 6 Cb -0.14 -2.93 0.32 0.00 1.34 0.00 0.00 72.50 71.09 2kga s THR 6 CO 0.07 0.00 1.85 0.71 -0.54 0.00 0.00 174.62 176.71 2kga h THR 7 N 0.66 0.83 -0.70 3.99 1.35 -1.98 -0.66 112.91 116.39 2kga h THR 7 Ca -0.39 -0.25 -0.01 0.00 -0.55 0.00 0.00 66.41 65.20 2kga h THR 7 Cb 1.28 0.03 -0.03 0.00 -1.73 0.00 0.00 68.15 67.69 2kga h THR 7 CO 0.46 0.13 0.40 -2.24 -0.25 0.00 0.00 175.52 174.02 2kga h ASP 8 N 0.73 0.87 -0.26 5.36 2.03 -1.95 0.27 116.42 123.48 2kga h ASP 8 Ca 0.47 -0.09 -0.10 0.00 -0.73 0.00 0.00 57.03 56.58 2kga h ASP 8 Cb 0.73 -0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 39.00 2kga h ASP 8 CO -0.23 0.70 -0.24 -0.78 -1.03 0.00 0.00 179.24 177.66 2kga h ASP 9 N 0.96 0.66 -0.27 4.15 1.82 -1.70 -2.91 116.42 119.12 2kga h ASP 9 Ca 0.25 -0.47 -0.03 0.00 -0.39 0.00 0.00 57.03 56.38 2kga h ASP 9 Cb 0.02 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.83 2kga h ASP 9 CO -0.04 0.99 0.03 0.25 -1.61 0.00 0.00 179.24 178.86 2kga h LEU 10 N 0.33 0.44 -0.44 2.28 5.85 -0.89 -1.94 115.31 120.94 2kga h LEU 10 Ca 0.04 -0.27 0.09 0.00 0.84 0.00 0.00 57.88 58.58 2kga h LEU 10 Cb 0.80 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.63 2kga h LEU 10 CO 0.06 0.60 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.61 2kga h ARG 11 N 0.26 0.05 -0.44 1.25 2.43 -0.48 -0.52 114.38 116.93 2kga h ARG 11 Ca 0.08 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2kga h ARG 11 Cb 0.35 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 2kga h ARG 11 CO 0.01 0.03 0.24 0.00 -1.51 0.00 0.00 179.97 178.74 2kga h ARG 12 N 0.05 0.48 -0.51 0.20 3.08 -1.29 0.24 114.38 116.62 2kga h ARG 12 Ca 0.22 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 2kga h ARG 12 Cb 0.33 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2kga h ARG 12 CO -0.42 0.31 0.30 0.00 -1.07 0.00 0.00 179.97 179.10 2kga h ALA 13 N 1.21 0.66 0.32 0.04 0.00 -0.50 -1.03 119.26 119.96 2kga h ALA 13 Ca 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2kga h ALA 13 Cb 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2kga h ALA 13 CO -0.10 0.16 -0.16 -0.07 0.00 0.00 0.00 179.25 179.08 2kga h LEU 14 N 0.69 -0.37 -1.72 0.00 -0.00 -0.90 -3.13 115.31 109.88 2kga h LEU 14 Ca 0.18 -0.16 -0.03 0.00 -0.00 0.00 0.00 57.88 57.88 2kga h LEU 14 Cb 0.02 0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 40.77 2kga h LEU 14 CO -0.03 -0.02 -0.13 1.62 -0.00 0.00 0.00 178.44 179.88 2kga h VAL 15 N -0.75 0.45 0.00 1.22 3.04 -0.34 0.10 116.25 119.97 2kga h VAL 15 Ca -0.04 -0.66 -0.04 0.00 -1.01 0.00 0.00 66.70 64.95 2kga h VAL 15 Cb 0.50 1.46 -0.01 0.00 -2.01 0.00 0.00 31.29 31.23 2kga h VAL 15 CO 0.07 0.12 -0.59 -0.33 -1.01 0.00 0.00 177.57 175.84 2kga h GLU 16 N 0.00 0.00 0.21 4.17 5.08 -1.29 -2.48 114.58 120.27 2kga h GLU 16 Ca -0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 2kga h GLU 16 Cb 0.45 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.72 2kga h GLU 16 CO 0.02 0.13 -1.61 0.77 -1.00 0.00 0.00 179.01 177.31 2kga h SER 17 N 0.00 0.70 -1.23 1.42 0.02 -1.19 -3.46 113.55 109.80 2kga h SER 17 Ca -0.02 -0.88 0.11 0.00 -0.84 0.00 0.00 61.79 60.15 2kga h SER 17 Cb 1.14 -0.23 -0.21 0.00 0.14 0.00 0.00 62.40 63.25 2kga h SER 17 CO 0.02 1.72 -0.15 0.00 -1.14 0.00 0.00 176.83 177.27 2kga s ALA 18 N -2.59 -2.34 0.00 3.77 0.00 0.25 -5.05 121.76 115.80 2kga s ALA 18 Ca -0.12 1.97 0.00 0.00 0.00 0.00 0.00 51.96 53.81 2kga s ALA 18 Cb 0.05 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 21.09 2kga s ALA 18 CO 0.89 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 175.87 2kga n GLY 19 N 5.41 0.00 3.36 0.00 0.00 -0.94 -3.86 105.19 109.16 2kga n GLY 19 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 2kga n GLY 19 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kga n GLU 20 N -2.70 3.47 0.00 1.61 4.71 -1.26 -3.97 120.64 122.49 2kga n GLU 20 Ca 0.00 -3.94 0.00 0.00 -0.01 0.00 0.00 57.16 53.21 2kga n GLU 20 Cb 0.43 -2.93 0.00 0.00 -1.01 0.00 0.00 31.44 27.93 2kga n GLU 20 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2kga n THR 21 N 4.02 0.00 0.04 2.62 -2.24 -1.26 -4.93 114.28 112.53 2kga n THR 21 Ca 0.35 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.16 2kga n THR 21 Cb 0.41 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.57 2kga n THR 21 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kga n ASP 22 N 0.00 0.78 -3.65 3.42 9.92 -1.26 -4.89 116.55 120.87 2kga n ASP 22 Ca 0.00 0.33 -0.02 0.00 -0.53 0.00 0.00 54.79 54.57 2kga n ASP 22 Cb 0.00 0.36 -0.07 0.00 -0.64 0.00 0.00 41.12 40.77 2kga n ASP 22 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2kga s GLY 23 N -4.69 0.15 -0.15 0.44 0.00 -1.26 -5.00 107.32 96.80 2kga s GLY 23 Ca -0.03 3.27 -0.00 0.00 0.00 0.00 0.00 44.72 47.96 2kga s GLY 23 CO 0.81 2.51 1.75 -0.37 0.00 0.00 0.00 173.10 177.80 2kga n THR 24 N 3.27 2.13 0.62 0.90 5.66 -1.25 -4.12 114.28 121.48 2kga n THR 24 Ca -0.17 -0.91 0.09 0.00 -3.05 0.00 0.00 64.05 60.01 2kga n THR 24 Cb 0.57 -1.23 0.40 0.00 -1.55 0.00 0.00 70.33 68.52 2kga n THR 24 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2kga n ASP 25 N 0.62 0.06 0.29 1.09 2.03 -1.26 -1.64 116.55 117.74 2kga n ASP 25 Ca 0.16 0.51 0.17 0.00 0.52 0.00 0.00 54.79 56.15 2kga n ASP 25 Cb 0.63 -0.52 0.97 0.00 -0.72 0.00 0.00 41.12 41.47 2kga n ASP 25 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2kga h LEU 26 N 0.00 0.00 -8.14 -2.67 5.85 -1.88 -3.35 115.31 105.13 2kga h LEU 26 Ca 0.00 0.00 -0.57 0.00 0.84 0.00 0.00 57.88 58.15 2kga h LEU 26 Cb 0.33 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.27 2kga h LEU 26 CO 0.00 0.00 1.40 -0.44 -0.34 0.00 0.00 178.44 179.06 2kga s SER 27 N -5.84 6.34 0.00 1.25 0.01 -0.65 -4.54 113.70 110.26 2kga s SER 27 Ca -0.05 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 55.91 2kga s SER 27 Cb 0.14 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2kga s SER 27 CO 0.51 -1.66 0.00 0.61 0.41 0.00 0.00 173.24 173.11 2kga n GLY 28 N 6.78 0.00 3.63 3.44 0.00 -1.26 -5.07 105.19 112.72 2kga n GLY 28 Ca 0.32 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 4.81 0.00 1.61 -1.08 -1.26 -4.99 116.67 111.75 2kga s ASP 29 Ca 0.00 -0.08 0.00 0.00 -0.52 0.00 0.00 52.55 51.95 2kga s ASP 29 Cb 0.00 -1.18 0.00 0.00 -1.46 0.00 0.00 42.92 40.28 2kga s ASP 29 CO 0.00 0.29 0.00 2.22 0.52 0.00 0.00 175.17 178.20 2kga n PHE 30 N 1.58 0.00 0.13 -5.34 -1.74 -1.26 -4.82 117.46 106.01 2kga n PHE 30 Ca -0.15 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 56.86 2kga n PHE 30 Cb 0.53 0.00 0.63 0.00 1.52 0.00 0.00 39.48 42.16 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 0.06 -0.50 5.98 3.38 -1.96 -1.57 115.31 120.70 2kga h LEU 31 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kga h LEU 31 Cb 0.49 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2kga h LEU 31 CO 0.00 0.04 -0.43 -0.90 0.09 0.00 0.00 178.44 177.24 2kga n ASP 32 N -4.48 1.20 -4.80 -0.43 5.75 -1.26 -4.20 116.55 108.33 2kga n ASP 32 Ca 0.02 -0.97 -0.39 0.00 -0.01 0.00 0.00 54.79 53.45 2kga n ASP 32 Cb 0.28 0.33 -0.06 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 -2.62 4.54 0.63 -2.12 1.43 -0.59 -5.06 118.68 114.88 2kga s LEU 33 Ca 0.19 1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 54.50 2kga s LEU 33 Cb 0.18 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 2kga s LEU 33 CO 0.60 0.26 1.03 -0.13 0.23 0.00 0.00 176.35 178.34 2kga s ARG 34 N -1.12 3.46 0.41 1.70 1.81 -1.26 -4.21 118.95 119.74 2kga s ARG 34 Ca 0.30 0.85 0.16 0.00 -1.72 0.00 0.00 55.73 55.33 2kga s ARG 34 Cb -0.20 -2.06 1.05 0.00 -0.45 0.00 0.00 34.95 33.29 2kga s ARG 34 CO 0.20 -0.68 1.86 0.74 -0.68 0.00 0.00 175.30 176.74 2kga h PHE 35 N -0.23 0.57 -0.12 -0.53 0.04 -1.21 0.28 116.94 115.73 2kga h PHE 35 Ca -0.44 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.38 2kga h PHE 35 Cb 1.20 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 39.17 2kga h PHE 35 CO 0.64 0.16 0.11 1.05 -0.60 0.00 0.00 178.31 179.67 2kga h GLU 36 N 0.44 0.00 0.00 1.51 4.11 -1.85 0.13 114.58 118.92 2kga h GLU 36 Ca 0.46 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.80 2kga h GLU 36 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2kga h GLU 36 CO -0.18 0.00 -0.59 -0.44 0.07 0.00 0.00 179.01 177.87 2kga h ASP 37 N 0.00 0.00 -0.60 3.06 3.32 -0.78 -2.48 116.42 118.94 2kga h ASP 37 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2kga h ASP 37 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2kga h ASP 37 CO -0.00 0.41 0.00 2.30 -1.72 0.00 0.00 179.24 180.22 2kga n ILE 38 N -3.12 1.82 -3.51 0.35 -5.35 -0.97 -4.81 119.36 103.78 2kga n ILE 38 Ca 0.00 -1.12 -0.25 0.00 -0.27 0.00 0.00 62.75 61.11 2kga n ILE 38 Cb 0.71 0.04 0.05 0.00 -1.74 0.00 0.00 39.64 38.70 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 1.03 -0.53 3.66 3.28 0.00 -0.94 -4.49 105.19 107.20 2kga n GLY 39 Ca 0.24 0.20 -0.38 0.00 0.00 0.00 0.00 46.02 46.08 2kga n GLY 39 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kga s TYR 40 N -3.25 3.36 0.24 1.61 5.04 0.42 -4.34 117.35 120.42 2kga s TYR 40 Ca 0.52 0.61 -0.23 0.00 -2.44 0.00 0.00 57.07 55.53 2kga s TYR 40 Cb -0.24 -2.55 -0.09 0.00 0.35 0.00 0.00 41.96 39.43 2kga s TYR 40 CO 0.64 -0.05 0.81 -0.51 -1.34 0.00 0.00 175.55 175.11 2kga s ASP 41 N 1.13 7.25 0.33 4.32 1.11 -1.26 -4.41 116.67 125.13 2kga s ASP 41 Ca 0.19 1.62 0.08 0.00 0.18 0.00 0.00 52.55 54.62 2kga s ASP 41 Cb -0.15 -2.49 0.79 0.00 1.07 0.00 0.00 42.92 42.14 2kga s ASP 41 CO 0.08 0.06 1.80 0.77 1.18 0.00 0.00 175.17 179.06 2kga h SER 42 N 3.62 0.72 -0.00 0.27 4.64 -1.98 0.14 113.55 120.96 2kga h SER 42 Ca -0.47 0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2kga h SER 42 Cb 1.20 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2kga h SER 42 CO 0.65 0.27 0.00 0.25 -0.87 0.00 0.00 176.83 177.14 2kga h LEU 43 N 0.71 0.00 -1.64 5.97 7.12 -2.00 -1.41 115.31 124.08 2kga h LEU 43 Ca 0.55 -0.17 -0.04 0.00 0.13 0.00 0.00 57.88 58.35 2kga h LEU 43 Cb 0.92 -0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.04 2kga h LEU 43 CO -0.33 0.17 -0.20 0.00 -0.13 0.00 0.00 178.44 177.95 2kga h ALA 44 N 0.83 1.51 -0.23 1.25 0.00 -1.67 -2.08 119.26 118.88 2kga h ALA 44 Ca 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2kga h ALA 44 Cb 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2kga h ALA 44 CO -0.00 0.25 -0.15 1.25 0.00 0.00 0.00 179.25 180.61 2kga h LEU 45 N 0.00 0.52 -1.16 0.00 5.85 -0.43 -2.20 115.31 117.89 2kga h LEU 45 Ca -0.00 -0.43 -0.09 0.00 0.84 0.00 0.00 57.88 58.20 2kga h LEU 45 Cb 0.40 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2kga h LEU 45 CO 0.03 0.84 -0.41 0.00 -0.34 0.00 0.00 178.44 178.56 2kga h MET 46 N 0.20 0.02 -0.50 1.25 -0.00 -0.73 -0.24 114.93 114.92 2kga h MET 46 Ca 0.05 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.73 2kga h MET 46 Cb 0.66 -0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.24 2kga h MET 46 CO 0.04 0.42 0.26 0.93 -0.00 0.00 0.00 176.91 178.57 2kga h GLU 47 N 0.01 0.71 -0.28 -0.10 4.39 -1.29 0.82 114.58 118.86 2kga h GLU 47 Ca -0.00 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2kga h GLU 47 Cb 0.73 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2kga h GLU 47 CO 0.05 0.57 0.12 1.15 -1.16 0.00 0.00 179.01 179.75 2kga h THR 48 N 0.67 1.16 -0.35 1.13 2.02 -0.84 -1.90 112.91 114.80 2kga h THR 48 Ca 0.18 -0.48 0.05 0.00 0.77 0.00 0.00 66.41 66.93 2kga h THR 48 Cb 0.08 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 2kga h THR 48 CO -0.03 0.17 0.08 0.00 0.37 0.00 0.00 175.52 176.11 2kga h ALA 49 N 0.97 0.38 -0.62 6.16 0.00 -0.70 -1.88 119.26 123.58 2kga h ALA 49 Ca 0.09 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2kga h ALA 49 Cb 0.15 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2kga h ALA 49 CO -0.01 -0.32 0.41 0.00 0.00 0.00 0.00 179.25 179.33 2kga h ALA 50 N 1.25 1.61 -0.28 0.00 0.00 -0.71 -0.01 119.26 121.12 2kga h ALA 50 Ca 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2kga h ALA 50 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kga h ALA 50 CO -0.20 0.33 0.11 -0.09 0.00 0.00 0.00 179.25 179.41 2kga h ARG 51 N 0.78 0.42 -0.38 0.00 2.43 -0.62 -0.77 114.38 116.25 2kga h ARG 51 Ca 0.24 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.22 2kga h ARG 51 Cb -0.00 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2kga h ARG 51 CO -0.06 0.45 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.58 2kga h LEU 52 N 0.31 0.73 0.06 3.80 3.38 -0.58 -0.12 115.31 122.89 2kga h LEU 52 Ca 0.09 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.82 2kga h LEU 52 Cb 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2kga h LEU 52 CO -0.01 0.93 -0.10 -0.33 0.09 0.00 0.00 178.44 179.02 2kga h GLU 53 N 0.64 -0.19 -0.71 1.13 5.08 -0.81 -1.59 114.58 118.13 2kga h GLU 53 Ca 0.09 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2kga h GLU 53 Cb 0.69 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2kga h GLU 53 CO 0.05 -0.13 0.24 0.77 -1.00 0.00 0.00 179.01 178.95 2kga h SER 54 N -0.20 1.01 -0.50 1.42 0.02 -0.92 0.20 113.55 114.59 2kga h SER 54 Ca 0.02 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.70 2kga h SER 54 Cb 0.21 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2kga h SER 54 CO -0.05 0.94 0.03 -0.09 -1.14 0.00 0.00 176.83 176.52 2kga h ARG 55 N 1.03 0.86 -0.02 3.45 2.43 -0.84 -3.25 114.38 118.04 2kga h ARG 55 Ca 0.23 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2kga h ARG 55 Cb 0.27 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2kga h ARG 55 CO -0.01 0.88 -0.24 0.66 -1.51 0.00 0.00 179.97 179.75 2kga n TYR 56 N -4.36 0.00 -2.54 2.20 4.01 -0.61 -4.95 117.16 110.91 2kga n TYR 56 Ca 0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.61 2kga n TYR 56 Cb 0.29 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.33 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 1.25 -0.12 3.92 2.72 0.00 0.57 -5.01 105.19 108.53 2kga n GLY 57 Ca 0.10 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.82 2.43 -0.05 1.61 -7.23 -0.39 -5.02 120.40 108.92 2kga s VAL 58 Ca 0.11 -1.28 -0.00 0.00 -1.81 0.00 0.00 61.98 59.00 2kga s VAL 58 Cb -0.05 -2.71 0.03 0.00 0.56 0.00 0.00 36.38 34.21 2kga s VAL 58 CO 0.14 0.00 -0.01 -0.44 -0.31 0.00 0.00 175.10 174.48 2kga s SER 59 N -4.26 1.16 -0.24 4.85 0.01 -1.26 -4.56 113.70 109.41 2kga s SER 59 Ca 0.48 -0.09 -0.17 0.00 1.31 0.00 0.00 55.95 57.48 2kga s SER 59 Cb -0.04 -0.41 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 2kga s SER 59 CO 0.29 -0.13 0.46 -0.63 0.41 0.00 0.00 173.24 173.63 2kga s ILE 60 N 1.44 5.13 0.38 1.44 1.01 -1.26 -5.04 121.20 124.29 2kga s ILE 60 Ca -0.03 0.78 -0.28 0.00 0.00 0.00 0.00 60.65 61.12 2kga s ILE 60 Cb -0.13 -3.78 -0.11 0.00 0.01 0.00 0.00 42.46 38.45 2kga s ILE 60 CO -0.03 0.16 1.46 -2.65 0.00 0.00 0.00 174.94 173.88 2kga n PRO 61 N 5.13 2.58 -0.35 2.79 -0.02 -1.26 -4.84 135.00 139.03 2kga n PRO 61 Ca -0.06 0.91 0.05 0.00 -2.02 0.00 0.00 63.50 62.37 2kga n PRO 61 Cb 0.50 -2.62 0.20 0.00 -0.02 0.00 0.00 33.50 31.56 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 2.86 0.91 0.17 2.55 1.82 -1.99 0.02 116.42 122.75 2kga h ASP 62 Ca -0.50 0.04 -0.13 0.00 -0.39 0.00 0.00 57.03 56.04 2kga h ASP 62 Cb 1.25 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 41.10 2kga h ASP 62 CO 0.64 0.52 -0.48 -0.78 -1.61 0.00 0.00 179.24 177.52 2kga h ASP 63 N 1.01 0.40 -0.01 2.28 3.58 -2.00 -3.08 116.42 118.60 2kga h ASP 63 Ca 0.45 -0.19 -0.26 0.00 0.42 0.00 0.00 57.03 57.45 2kga h ASP 63 Cb 0.36 -0.11 0.02 0.00 1.72 0.00 0.00 39.33 41.31 2kga h ASP 63 CO -0.23 0.82 -1.03 0.58 -2.88 0.00 0.00 179.24 176.50 2kga h VAL 64 N 0.29 1.28 0.00 2.25 2.07 -1.59 -2.67 116.25 117.88 2kga h VAL 64 Ca 0.02 -2.23 -0.00 0.00 0.82 0.00 0.00 66.70 65.31 2kga h VAL 64 Cb 0.96 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 33.09 2kga h VAL 64 CO 0.08 0.69 -0.01 0.00 0.02 0.00 0.00 177.57 178.36 2kga h ALA 65 N 0.41 1.51 -0.01 1.67 0.00 -0.96 -1.46 119.26 120.42 2kga h ALA 65 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kga h ALA 65 Cb 1.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2kga h ALA 65 CO 0.20 0.01 -0.66 0.41 0.00 0.00 0.00 179.25 179.21 2kga n GLY 66 N -1.29 -0.41 0.01 0.00 0.00 -1.18 -4.35 105.19 97.97 2kga n GLY 66 Ca -0.03 -0.52 0.11 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 -0.88 0.33 -2.61 1.61 1.85 -0.60 -4.81 116.66 111.55 2kga n ARG 67 Ca 0.05 -0.07 -0.42 0.00 -1.00 0.00 0.00 57.85 56.41 2kga n ARG 67 Cb 0.33 -1.54 -0.03 0.00 -1.05 0.00 0.00 32.46 30.17 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 -3.25 3.87 -0.09 8.89 -7.23 -0.90 -4.78 120.40 116.91 2kga s VAL 68 Ca 0.01 0.33 0.21 0.00 -1.81 0.00 0.00 61.98 60.71 2kga s VAL 68 Cb 0.15 -4.85 -0.29 0.00 0.56 0.00 0.00 36.38 31.95 2kga s VAL 68 CO 0.87 -1.72 0.42 -0.67 -0.31 0.00 0.00 175.10 173.69 2kga n ASP 69 N 8.94 0.08 -4.61 4.85 2.03 -1.26 -4.87 116.55 121.72 2kga n ASP 69 Ca 0.02 0.03 -0.33 0.00 0.52 0.00 0.00 54.79 55.04 2kga n ASP 69 Cb 0.48 1.58 -0.10 0.00 -0.72 0.00 0.00 41.12 42.36 2kga n ASP 69 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2kga s THR 70 N -3.23 3.78 0.50 5.18 -4.23 -1.26 -0.59 115.64 115.78 2kga s THR 70 Ca -0.08 -0.61 0.18 0.00 -1.18 0.00 0.00 61.69 60.01 2kga s THR 70 Cb 0.12 -2.61 0.33 0.00 1.34 0.00 0.00 72.50 71.67 2kga s THR 70 CO 0.88 0.48 2.06 -0.65 -0.54 0.00 0.00 174.62 176.85 2kga h PRO 71 N 4.81 0.11 -0.90 3.99 0.11 -1.76 -1.79 132.00 136.56 2kga h PRO 71 Ca -0.49 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.73 2kga h PRO 71 Cb 1.17 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 2kga h PRO 71 CO 0.54 0.07 0.58 0.07 -0.21 0.00 0.00 178.00 179.05 2kga h ARG 72 N 0.11 0.81 -0.37 1.05 0.11 -1.88 0.12 114.38 114.32 2kga h ARG 72 Ca 0.15 -0.05 -0.08 0.00 0.10 0.00 0.00 59.98 60.10 2kga h ARG 72 Cb 0.46 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 2kga h ARG 72 CO -0.02 0.53 -0.09 0.93 0.10 0.00 0.00 179.97 181.43 2kga h GLU 73 N 0.83 0.70 -0.41 0.08 5.08 -1.68 -0.56 114.58 118.63 2kga h GLU 73 Ca 0.44 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 2kga h GLU 73 Cb 0.52 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2kga h GLU 73 CO -0.20 0.86 0.04 1.25 -1.00 0.00 0.00 179.01 179.95 2kga h LEU 74 N 0.50 0.67 -0.50 1.33 7.12 -1.38 -1.35 115.31 121.70 2kga h LEU 74 Ca 0.09 -0.28 0.05 0.00 0.13 0.00 0.00 57.88 57.87 2kga h LEU 74 Cb 0.59 -0.18 -0.05 0.00 -0.53 0.00 0.00 40.66 40.50 2kga h LEU 74 CO 0.04 0.79 0.23 0.25 -0.13 0.00 0.00 178.44 179.61 2kga h LEU 75 N 0.54 0.30 -0.84 2.25 5.85 -0.65 -1.28 115.31 121.47 2kga h LEU 75 Ca 0.12 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.91 2kga h LEU 75 Cb 0.42 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 2kga h LEU 75 CO 0.01 0.21 0.54 -0.78 -0.34 0.00 0.00 178.44 178.08 2kga h ASP 76 N 0.44 0.91 -0.58 1.25 3.58 -0.72 0.12 116.42 121.42 2kga h ASP 76 Ca 0.23 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.64 2kga h ASP 76 Cb 0.18 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 2kga h ASP 76 CO -0.19 0.63 0.27 0.25 -2.88 0.00 0.00 179.24 177.32 2kga h LEU 77 N 1.07 0.78 0.30 2.28 7.12 -0.56 0.19 115.31 126.48 2kga h LEU 77 Ca 0.33 -0.14 -0.01 0.00 0.13 0.00 0.00 57.88 58.18 2kga h LEU 77 Cb -0.01 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 39.92 2kga h LEU 77 CO -0.11 0.70 -0.15 0.40 -0.13 0.00 0.00 178.44 179.16 2kga h ILE 78 N 0.80 0.72 -0.49 4.05 1.08 -0.64 -1.45 117.51 121.58 2kga h ILE 78 Ca 0.20 -0.49 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 2kga h ILE 78 Cb 0.14 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 34.85 2kga h ILE 78 CO -0.02 0.10 0.25 0.78 -0.69 0.00 0.00 178.15 178.57 2kga h ASN 79 N -0.68 0.60 -0.60 1.72 2.35 -0.65 0.16 115.58 118.48 2kga h ASN 79 Ca -0.04 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 2kga h ASN 79 Cb 0.47 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 2kga h ASN 79 CO 0.07 0.49 0.11 1.23 -1.65 0.00 0.00 177.43 177.68 2kga h GLY 80 N 0.76 1.06 1.80 2.83 0.00 -0.54 0.78 103.07 109.76 2kga h GLY 80 Ca 0.17 -0.70 -0.16 0.00 0.00 0.00 0.00 47.33 46.65 2kga h GLY 80 CO -0.03 0.65 -0.67 0.00 0.00 0.00 0.00 176.54 176.49 2kga h ALA 81 N 1.02 0.78 0.03 3.60 0.00 -0.27 -2.35 119.26 122.07 2kga h ALA 81 Ca 0.18 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2kga h ALA 81 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kga h ALA 81 CO 0.01 0.79 -0.01 -0.07 0.00 0.00 0.00 179.25 179.96 2kga h LEU 82 N 0.14 -0.03 -2.23 0.00 3.38 -0.54 -3.20 115.31 112.82 2kga h LEU 82 Ca -0.01 -0.54 -0.00 0.00 0.09 0.00 0.00 57.88 57.42 2kga h LEU 82 Cb 1.21 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2kga h LEU 82 CO 0.10 0.53 -0.01 0.00 0.09 0.00 0.00 178.44 179.16 2kga h ALA 83 N 0.33 1.03 -0.43 1.53 0.00 -0.87 -1.56 119.26 119.29 2kga h ALA 83 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2kga h ALA 83 Cb 0.57 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2kga h ALA 83 CO 0.01 0.01 0.03 1.49 0.00 0.00 0.00 179.25 180.79 2kga h GLU 84 N 0.00 0.68 -3.91 0.00 4.57 -1.41 -3.27 114.58 111.24 2kga h GLU 84 Ca -0.00 -0.16 -0.78 0.00 -1.18 0.00 0.00 59.36 57.24 2kga h GLU 84 Cb 0.25 -0.09 -0.25 0.00 -0.16 0.00 0.00 28.75 28.50 2kga h GLU 84 CO 0.00 0.68 0.69 0.00 -1.18 0.00 0.00 179.01 179.20 2kga s ALA 85 N -5.02 4.52 0.00 2.92 0.00 -0.59 -5.12 121.76 118.47 2kga s ALA 85 Ca -0.09 -3.70 0.00 0.00 0.00 0.00 0.00 51.96 48.18 2kga s ALA 85 Cb 0.15 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2kga s ALA 85 CO 0.79 -2.37 0.00 0.00 0.00 0.00 0.00 175.76 174.18