#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kga n ALA 2 N 0.00 0.34 -2.80 -5.12 0.00 -1.26 -5.02 120.51 106.65 2kga n ALA 2 Ca 0.00 -0.14 -0.44 0.00 0.00 0.00 0.00 53.44 52.86 2kga n ALA 2 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2kga n ALA 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2kga s THR 3 N 0.00 4.84 -0.03 0.00 2.01 -1.26 -5.00 115.64 116.21 2kga s THR 3 Ca 0.00 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.50 2kga s THR 3 Cb 0.00 -4.33 0.01 0.00 0.01 0.00 0.00 72.50 68.19 2kga s THR 3 CO 0.00 -0.86 -0.05 -0.76 -0.69 0.00 0.00 174.62 172.27 2kga s LEU 4 N 2.70 1.53 -0.16 4.42 1.43 -1.26 -4.73 118.68 122.61 2kga s LEU 4 Ca 0.15 -0.11 -0.25 0.00 -1.03 0.00 0.00 54.13 52.89 2kga s LEU 4 Cb -0.19 -0.38 -0.02 0.00 0.03 0.00 0.00 46.19 45.63 2kga s LEU 4 CO 0.12 -0.02 0.82 -0.22 0.23 0.00 0.00 176.35 177.28 2kga s LEU 5 N 0.58 4.18 0.00 1.79 2.96 -1.26 -5.05 118.68 121.88 2kga s LEU 5 Ca -0.07 1.17 0.01 0.00 -0.22 0.00 0.00 54.13 55.02 2kga s LEU 5 Cb -0.11 -3.23 0.01 0.00 0.50 0.00 0.00 46.19 43.37 2kga s LEU 5 CO -0.00 -0.39 0.11 0.35 -1.32 0.00 0.00 176.35 175.11 2kga n THR 6 N 4.69 0.00 0.13 3.68 -2.24 -1.26 -4.88 114.28 114.41 2kga n THR 6 Ca 0.04 -0.34 -0.14 0.00 -2.27 0.00 0.00 64.05 61.34 2kga n THR 6 Cb 0.49 -0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 67.89 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 0.17 0.23 -0.35 4.28 2.02 -1.99 0.15 112.91 117.42 2kga h THR 7 Ca -0.05 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 2kga h THR 7 Cb 0.21 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 2kga h THR 7 CO 0.07 0.00 -0.11 -0.78 0.37 0.00 0.00 175.52 175.08 2kga h ASP 8 N -0.62 0.59 -0.31 4.18 3.58 -1.97 -0.93 116.42 120.93 2kga h ASP 8 Ca 0.02 -0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.28 2kga h ASP 8 Cb 0.64 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 2kga h ASP 8 CO -0.20 0.74 0.06 0.44 -2.88 0.00 0.00 179.24 177.40 2kga h ASP 9 N 0.56 0.48 -0.09 2.28 3.32 -1.85 -1.72 116.42 119.41 2kga h ASP 9 Ca 0.10 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 2kga h ASP 9 Cb 0.52 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 2kga h ASP 9 CO 0.03 0.61 0.01 0.25 -1.72 0.00 0.00 179.24 178.42 2kga h LEU 10 N 0.34 0.14 -0.65 1.55 5.85 -0.68 -2.76 115.31 119.10 2kga h LEU 10 Ca 0.10 -0.27 0.12 0.00 0.84 0.00 0.00 57.88 58.67 2kga h LEU 10 Cb 0.32 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.22 2kga h LEU 10 CO 0.00 0.37 0.18 -0.09 -0.34 0.00 0.00 178.44 178.57 2kga h ARG 11 N -0.10 0.31 -0.22 1.25 2.43 -1.06 -0.42 114.38 116.57 2kga h ARG 11 Ca 0.03 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2kga h ARG 11 Cb 0.30 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 2kga h ARG 11 CO 0.00 0.20 0.04 0.00 -1.51 0.00 0.00 179.97 178.70 2kga h ARG 12 N 0.31 0.12 -0.47 0.20 3.08 -1.21 0.16 114.38 116.57 2kga h ARG 12 Ca 0.35 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.35 2kga h ARG 12 Cb 0.52 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 2kga h ARG 12 CO -0.41 0.08 0.11 0.00 -1.07 0.00 0.00 179.97 178.68 2kga h ALA 13 N 1.17 1.32 0.44 0.04 0.00 -0.98 0.12 119.26 121.36 2kga h ALA 13 Ca 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2kga h ALA 13 Cb 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2kga h ALA 13 CO -0.14 0.48 -0.21 -0.07 0.00 0.00 0.00 179.25 179.31 2kga h LEU 14 N 0.69 -0.50 -1.82 0.00 3.38 -0.65 -2.87 115.31 113.54 2kga h LEU 14 Ca 0.16 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2kga h LEU 14 Cb 0.26 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2kga h LEU 14 CO -0.00 -0.13 -0.00 1.62 0.09 0.00 0.00 178.44 180.01 2kga h VAL 15 N -0.92 0.01 0.01 1.22 3.04 -0.41 0.41 116.25 119.61 2kga h VAL 15 Ca -0.06 -0.40 -0.20 0.00 -1.01 0.00 0.00 66.70 65.03 2kga h VAL 15 Cb 0.57 1.39 -0.01 0.00 -2.01 0.00 0.00 31.29 31.23 2kga h VAL 15 CO 0.10 0.00 -0.91 -0.33 -1.01 0.00 0.00 177.57 175.42 2kga h GLU 16 N 0.00 0.17 0.00 4.17 5.08 -0.79 -3.33 114.58 119.88 2kga h GLU 16 Ca -0.00 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2kga h GLU 16 Cb 0.39 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2kga h GLU 16 CO 0.00 0.97 -0.05 0.77 -1.00 0.00 0.00 179.01 179.69 2kga h SER 17 N 0.09 0.00 -1.82 1.42 0.02 -0.96 -3.39 113.55 108.91 2kga h SER 17 Ca -0.05 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.33 2kga h SER 17 Cb 1.56 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 64.00 2kga h SER 17 CO 0.14 0.47 1.22 0.00 -1.14 0.00 0.00 176.83 177.52 2kga s ALA 18 N -2.62 2.77 -0.20 3.77 0.00 0.00 -4.79 121.76 120.70 2kga s ALA 18 Ca -0.02 -1.85 0.17 0.00 0.00 0.00 0.00 51.96 50.27 2kga s ALA 18 Cb 0.00 -4.35 0.06 0.00 0.00 0.00 0.00 23.12 18.83 2kga s ALA 18 CO 0.02 -3.40 1.30 0.78 0.00 0.00 0.00 175.76 174.47 2kga h GLY 19 N 12.74 0.00 -7.05 0.00 0.00 -1.77 -3.41 103.07 103.58 2kga h GLY 19 Ca -0.05 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.69 2kga h GLY 19 CO 1.34 0.00 0.66 -0.54 0.00 0.00 0.00 176.54 178.00 2kga s GLU 20 N -3.03 3.39 -0.44 4.80 0.41 -1.26 -4.95 118.70 117.62 2kga s GLU 20 Ca 0.03 -0.10 0.03 0.00 -0.41 0.00 0.00 54.97 54.51 2kga s GLU 20 Cb 0.08 -4.03 0.12 0.00 -1.78 0.00 0.00 34.13 28.52 2kga s GLU 20 CO 0.75 -1.51 0.20 0.99 -0.49 0.00 0.00 175.26 175.20 2kga s THR 21 N 4.16 2.02 0.05 3.63 2.01 -1.26 -4.68 115.64 121.57 2kga s THR 21 Ca 0.34 -2.74 -0.17 0.00 0.31 0.00 0.00 61.69 59.43 2kga s THR 21 Cb -0.11 -2.43 -0.08 0.00 0.01 0.00 0.00 72.50 69.89 2kga s THR 21 CO 0.21 -0.78 1.27 -0.78 -0.69 0.00 0.00 174.62 173.85 2kga h ASP 22 N 6.92 -0.73 -0.67 3.53 3.58 -1.97 -3.28 116.42 123.80 2kga h ASP 22 Ca -0.06 0.07 -0.47 0.00 0.42 0.00 0.00 57.03 56.99 2kga h ASP 22 Cb 0.94 0.26 -0.33 0.00 1.72 0.00 0.00 39.33 41.92 2kga h ASP 22 CO 0.58 -0.29 -0.44 0.61 -2.88 0.00 0.00 179.24 176.81 2kga n GLY 23 N -1.25 6.03 2.39 -0.78 0.00 -1.26 -4.86 105.19 105.47 2kga n GLY 23 Ca -0.05 -2.32 -0.18 0.00 0.00 0.00 0.00 46.02 43.47 2kga n GLY 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kga n THR 24 N -0.83 -0.62 0.32 2.61 -1.04 -1.24 -4.92 114.28 108.56 2kga n THR 24 Ca 0.43 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.28 2kga n THR 24 Cb 0.90 -2.41 -0.09 0.00 -1.82 0.00 0.00 70.33 66.91 2kga n THR 24 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 2kga h ASP 25 N 0.00 -0.67 0.00 8.00 3.04 -1.89 -2.46 116.42 122.45 2kga h ASP 25 Ca -0.41 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.37 2kga h ASP 25 Cb 1.28 0.17 0.00 0.00 -1.04 0.00 0.00 39.33 39.74 2kga h ASP 25 CO 0.52 -0.43 0.00 -0.11 -2.04 0.00 0.00 179.24 177.18 2kga n LEU 26 N -5.40 0.00 -4.45 0.15 7.94 -1.26 -4.71 117.00 109.26 2kga n LEU 26 Ca -0.13 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.49 2kga n LEU 26 Cb 0.34 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.17 2kga n LEU 26 CO 0.36 0.00 -0.52 -0.44 -1.11 0.00 0.00 177.39 175.68 2kga s SER 27 N -1.58 3.67 0.96 1.96 0.01 -0.93 -4.69 113.70 113.10 2kga s SER 27 Ca 0.12 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2kga s SER 27 Cb 0.05 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.87 2kga s SER 27 CO 0.09 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2kga n GLY 28 N 0.69 1.86 3.67 3.44 0.00 -1.26 -4.74 105.19 108.84 2kga n GLY 28 Ca -0.15 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 2kga n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kga s ASP 29 N -4.00 7.12 0.00 1.61 1.01 -1.26 -4.77 116.67 116.38 2kga s ASP 29 Ca 0.00 1.40 0.00 0.00 0.71 0.00 0.00 52.55 54.66 2kga s ASP 29 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2kga s ASP 29 CO 0.00 -0.58 0.00 2.22 0.21 0.00 0.00 175.17 177.02 2kga n PHE 30 N 5.86 0.00 -0.27 4.23 -1.74 -1.26 -4.87 117.46 119.40 2kga n PHE 30 Ca 0.10 0.00 0.07 0.00 -0.56 0.00 0.00 57.45 57.07 2kga n PHE 30 Cb 0.47 0.00 0.22 0.00 1.52 0.00 0.00 39.48 41.69 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 0.25 -2.28 5.98 5.85 -1.96 -0.37 115.31 122.78 2kga h LEU 31 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2kga h LEU 31 Cb 0.00 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2kga h LEU 31 CO 0.00 0.05 0.00 -0.67 -0.34 0.00 0.00 178.44 177.48 2kga n ASP 32 N -5.04 3.30 -4.91 1.25 2.03 -1.26 -1.96 116.55 109.96 2kga n ASP 32 Ca 0.16 -1.96 -0.28 0.00 0.52 0.00 0.00 54.79 53.24 2kga n ASP 32 Cb 0.48 -0.21 -0.01 0.00 -0.72 0.00 0.00 41.12 40.66 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 -1.45 3.74 -0.01 -2.67 2.01 -0.15 -4.97 118.68 115.18 2kga s LEU 33 Ca 0.35 0.89 -0.30 0.00 0.01 0.00 0.00 54.13 55.08 2kga s LEU 33 Cb 0.21 -3.81 -0.03 0.00 0.01 0.00 0.00 46.19 42.56 2kga s LEU 33 CO 0.29 -0.49 1.06 -0.13 1.01 0.00 0.00 176.35 178.10 2kga s ARG 34 N -4.45 4.49 0.35 1.70 1.81 -1.26 -4.12 118.95 117.46 2kga s ARG 34 Ca 0.47 1.53 0.12 0.00 -1.72 0.00 0.00 55.73 56.13 2kga s ARG 34 Cb -0.10 -3.45 0.93 0.00 -0.45 0.00 0.00 34.95 31.88 2kga s ARG 34 CO 0.40 -0.18 1.77 0.74 -0.68 0.00 0.00 175.30 177.35 2kga h PHE 35 N 6.91 0.87 -1.00 -0.53 0.04 -1.56 -1.61 116.94 120.06 2kga h PHE 35 Ca -0.39 0.03 0.20 0.00 2.80 0.00 0.00 57.97 60.61 2kga h PHE 35 Cb 1.20 -0.26 -0.11 0.00 2.20 0.00 0.00 35.95 38.99 2kga h PHE 35 CO 0.69 0.12 0.60 0.93 -0.60 0.00 0.00 178.31 180.05 2kga h GLU 36 N 0.56 0.72 0.00 1.51 5.08 -1.82 -1.66 114.58 118.97 2kga h GLU 36 Ca 0.59 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.72 2kga h GLU 36 Cb 1.22 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 2kga h GLU 36 CO -0.36 0.47 -1.45 0.22 -1.00 0.00 0.00 179.01 176.90 2kga h ASP 37 N 0.74 0.00 -1.24 1.42 3.58 -1.56 -3.38 116.42 115.97 2kga h ASP 37 Ca 0.59 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 57.48 2kga h ASP 37 Cb 0.94 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 41.79 2kga h ASP 37 CO -0.40 0.66 0.55 2.30 -2.88 0.00 0.00 179.24 179.48 2kga n ILE 38 N -2.93 3.36 -0.81 2.25 -5.35 -0.66 -4.70 119.36 110.52 2kga n ILE 38 Ca -0.11 -3.20 0.00 0.00 -0.27 0.00 0.00 62.75 59.17 2kga n ILE 38 Cb 0.88 -1.49 0.00 0.00 -1.74 0.00 0.00 39.64 37.29 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 0.50 0.81 3.68 3.28 0.00 -1.25 -4.46 105.19 107.74 2kga n GLY 39 Ca 0.49 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.13 3.37 -0.02 1.61 1.51 -0.97 -4.94 117.35 114.78 2kga s TYR 40 Ca 0.00 0.53 -0.01 0.00 -1.01 0.00 0.00 57.07 56.58 2kga s TYR 40 Cb 0.00 -2.44 -0.00 0.00 -0.11 0.00 0.00 41.96 39.40 2kga s TYR 40 CO 0.00 0.04 -0.02 0.22 -1.11 0.00 0.00 175.55 174.68 2kga h ASP 41 N 7.30 0.00 0.00 2.29 3.58 -1.87 -3.39 116.42 124.33 2kga h ASP 41 Ca -0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.08 2kga h ASP 41 Cb 1.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2kga h ASP 41 CO 0.71 0.13 0.00 -1.54 -2.88 0.00 0.00 179.24 175.66 2kga n SER 42 N -2.64 0.00 -0.30 2.28 3.41 -1.26 -4.94 113.62 110.16 2kga n SER 42 Ca -0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.56 2kga n SER 42 Cb 0.03 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.06 2kga n SER 42 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2kga h LEU 43 N 0.00 0.96 -1.50 1.04 6.46 -1.99 -0.52 115.31 119.76 2kga h LEU 43 Ca 0.00 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.67 2kga h LEU 43 Cb 0.00 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.68 2kga h LEU 43 CO 0.00 0.72 -0.19 0.00 -0.62 0.00 0.00 178.44 178.35 2kga h ALA 44 N 1.28 1.59 -0.18 1.25 0.00 -1.93 -0.73 119.26 120.53 2kga h ALA 44 Ca 0.30 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2kga h ALA 44 Cb -0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2kga h ALA 44 CO -0.06 0.31 -0.12 1.25 0.00 0.00 0.00 179.25 180.62 2kga h LEU 45 N 0.08 0.43 -0.77 0.00 5.85 -1.51 0.30 115.31 119.68 2kga h LEU 45 Ca 0.01 -0.44 -0.12 0.00 0.84 0.00 0.00 57.88 58.18 2kga h LEU 45 Cb 0.39 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2kga h LEU 45 CO 0.03 0.78 -0.34 0.00 -0.34 0.00 0.00 178.44 178.56 2kga h MET 46 N 0.08 0.54 -0.48 1.25 -0.00 -0.98 -1.87 114.93 113.47 2kga h MET 46 Ca 0.04 -0.24 -0.05 0.00 -0.00 0.00 0.00 59.70 59.44 2kga h MET 46 Cb 0.63 -0.01 -0.02 0.00 -0.00 0.00 0.00 31.60 32.20 2kga h MET 46 CO 0.03 0.81 0.11 1.49 -0.00 0.00 0.00 176.91 179.35 2kga h GLU 47 N 0.45 0.78 0.23 -0.10 4.81 -0.96 0.19 114.58 119.98 2kga h GLU 47 Ca 0.05 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2kga h GLU 47 Cb 0.81 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.09 2kga h GLU 47 CO 0.07 0.76 -0.11 1.15 -0.73 0.00 0.00 179.01 180.15 2kga h THR 48 N 0.66 0.80 -0.35 0.32 2.02 -0.77 -2.08 112.91 113.50 2kga h THR 48 Ca 0.15 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.24 2kga h THR 48 Cb 0.34 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 2kga h THR 48 CO 0.00 0.03 0.11 0.00 0.37 0.00 0.00 175.52 176.03 2kga h ALA 49 N 0.38 0.40 -0.80 6.16 0.00 -1.11 -1.54 119.26 122.76 2kga h ALA 49 Ca -0.03 0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2kga h ALA 49 Cb 0.29 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2kga h ALA 49 CO 0.05 -0.29 0.48 0.00 0.00 0.00 0.00 179.25 179.49 2kga h ALA 50 N 1.24 1.09 -0.67 0.00 0.00 -0.56 0.37 119.26 120.73 2kga h ALA 50 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2kga h ALA 50 Cb 0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2kga h ALA 50 CO -0.18 0.19 0.09 -0.09 0.00 0.00 0.00 179.25 179.26 2kga h ARG 51 N 0.86 1.12 -0.67 0.00 2.43 -0.91 -1.26 114.38 115.95 2kga h ARG 51 Ca 0.35 -0.31 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 2kga h ARG 51 Cb 0.19 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2kga h ARG 51 CO -0.18 1.03 0.12 -0.07 -1.51 0.00 0.00 179.97 179.36 2kga h LEU 52 N 1.04 1.06 -0.03 3.80 3.38 -0.27 -0.19 115.31 124.10 2kga h LEU 52 Ca 0.20 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2kga h LEU 52 Cb 0.47 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2kga h LEU 52 CO 0.02 1.05 -0.01 -0.33 0.09 0.00 0.00 178.44 179.26 2kga h GLU 53 N 1.03 -0.00 -0.57 1.13 5.08 -0.65 -0.73 114.58 119.87 2kga h GLU 53 Ca 0.21 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2kga h GLU 53 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2kga h GLU 53 CO 0.01 -0.00 0.29 0.77 -1.00 0.00 0.00 179.01 179.08 2kga h SER 54 N -0.00 0.74 0.25 1.42 0.02 -0.95 0.13 113.55 115.15 2kga h SER 54 Ca 0.01 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2kga h SER 54 Cb 0.02 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.37 2kga h SER 54 CO -0.03 0.65 -0.12 -0.09 -1.14 0.00 0.00 176.83 176.10 2kga h ARG 55 N 0.78 -0.32 0.00 3.45 2.43 -0.92 -3.34 114.38 116.46 2kga h ARG 55 Ca 0.20 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2kga h ARG 55 Cb 0.10 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2kga h ARG 55 CO -0.03 0.03 -0.47 1.88 -1.51 0.00 0.00 179.97 179.86 2kga h TYR 56 N -0.74 0.00 -2.80 2.20 0.05 -1.12 -3.48 116.97 111.07 2kga h TYR 56 Ca -0.03 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 2kga h TYR 56 Cb 0.50 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.25 2kga h TYR 56 CO 0.04 0.00 -0.08 0.41 -1.05 0.00 0.00 178.16 177.48 2kga n GLY 57 N 1.22 0.54 3.36 3.88 0.00 0.42 -5.05 105.19 109.56 2kga n GLY 57 Ca 0.03 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.04 0.52 -0.13 1.61 -7.23 -0.98 -5.01 120.40 106.15 2kga s VAL 58 Ca 0.02 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.18 2kga s VAL 58 Cb -0.00 -2.57 0.04 0.00 0.56 0.00 0.00 36.38 34.41 2kga s VAL 58 CO 0.07 0.00 -0.03 -0.94 -0.31 0.00 0.00 175.10 173.89 2kga s SER 59 N -3.39 2.37 -0.38 4.85 1.04 -1.26 -4.59 113.70 112.34 2kga s SER 59 Ca 0.35 -0.45 -0.16 0.00 0.48 0.00 0.00 55.95 56.17 2kga s SER 59 Cb 0.06 -0.72 0.00 0.00 0.10 0.00 0.00 66.02 65.47 2kga s SER 59 CO 0.16 -0.19 0.40 -0.63 0.98 0.00 0.00 173.24 173.95 2kga s ILE 60 N 1.78 5.13 0.51 -1.02 1.01 -1.26 -5.05 121.20 122.30 2kga s ILE 60 Ca 0.03 -0.13 -0.23 0.00 0.00 0.00 0.00 60.65 60.31 2kga s ILE 60 Cb -0.14 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 2kga s ILE 60 CO -0.07 -0.25 1.39 -2.84 0.00 0.00 0.00 174.94 173.17 2kga s PRO 61 N 2.08 3.33 0.65 2.79 0.02 -1.26 -4.88 135.00 137.73 2kga s PRO 61 Ca 0.12 2.31 0.42 0.00 0.02 0.00 0.00 61.00 63.87 2kga s PRO 61 Cb -0.17 -2.40 2.32 0.00 0.02 0.00 0.00 34.50 34.27 2kga s PRO 61 CO 0.13 -1.07 2.35 -0.44 -0.33 0.00 0.00 177.00 177.64 2kga h ASP 62 N 1.76 0.00 1.06 2.53 3.32 -2.04 -1.37 116.42 121.68 2kga h ASP 62 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2kga h ASP 62 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2kga h ASP 62 CO 0.59 0.00 0.00 0.44 -1.72 0.00 0.00 179.24 178.55 2kga h ASP 63 N 0.00 0.00 0.87 6.45 5.19 -2.01 -2.98 116.42 123.94 2kga h ASP 63 Ca -0.00 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.30 2kga h ASP 63 Cb 0.02 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 2kga h ASP 63 CO 0.00 0.00 -0.50 0.58 -3.12 0.00 0.00 179.24 176.20 2kga h VAL 64 N 0.00 1.10 0.00 -1.35 2.07 -1.61 -3.09 116.25 113.37 2kga h VAL 64 Ca 0.00 -1.91 -0.02 0.00 0.82 0.00 0.00 66.70 65.59 2kga h VAL 64 Cb 0.53 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2kga h VAL 64 CO 0.00 0.49 -0.08 0.00 0.02 0.00 0.00 177.57 178.00 2kga h ALA 65 N 1.50 1.85 -0.65 1.67 0.00 -1.71 -0.95 119.26 120.97 2kga h ALA 65 Ca -0.01 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 2kga h ALA 65 Cb 1.08 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.72 2kga h ALA 65 CO 0.07 0.10 0.23 0.41 0.00 0.00 0.00 179.25 180.06 2kga n GLY 66 N -1.30 4.04 0.85 0.00 0.00 -1.17 -4.14 105.19 103.47 2kga n GLY 66 Ca -0.03 -1.06 0.01 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.50 0.00 -3.42 1.61 1.85 -0.38 -4.98 116.66 110.84 2kga n ARG 67 Ca 0.40 -1.17 -0.23 0.00 -1.00 0.00 0.00 57.85 55.85 2kga n ARG 67 Cb 1.31 -0.19 -0.10 0.00 -1.05 0.00 0.00 32.46 32.42 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 0.00 -0.10 -0.10 8.89 -7.23 -1.12 -4.89 120.40 115.86 2kga s VAL 68 Ca 0.10 -1.30 0.10 0.00 -1.81 0.00 0.00 61.98 59.07 2kga s VAL 68 Cb 0.12 -0.91 -0.24 0.00 0.56 0.00 0.00 36.38 35.91 2kga s VAL 68 CO -0.05 -0.78 0.46 0.47 -0.31 0.00 0.00 175.10 174.88 2kga n ASP 69 N 4.24 0.94 -4.56 4.85 8.00 -1.26 -4.89 116.55 123.87 2kga n ASP 69 Ca 0.10 0.28 -0.31 0.00 0.71 0.00 0.00 54.79 55.57 2kga n ASP 69 Cb 0.41 0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 41.41 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 -2.57 3.33 0.56 -3.53 -4.23 -1.26 -1.30 115.64 106.64 2kga s THR 70 Ca -0.10 -1.10 0.27 0.00 -1.18 0.00 0.00 61.69 59.58 2kga s THR 70 Cb 0.07 -2.49 0.37 0.00 1.34 0.00 0.00 72.50 71.79 2kga s THR 70 CO 0.81 0.25 2.04 -0.65 -0.54 0.00 0.00 174.62 176.52 2kga h PRO 71 N 4.08 0.00 -0.54 3.99 0.11 -1.70 -2.19 132.00 135.76 2kga h PRO 71 Ca -0.48 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.73 2kga h PRO 71 Cb 1.16 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.17 2kga h PRO 71 CO 0.52 0.00 -0.17 -0.09 -0.21 0.00 0.00 178.00 178.04 2kga h ARG 72 N 0.00 -0.04 -0.54 1.05 2.43 -1.72 0.95 114.38 116.52 2kga h ARG 72 Ca 0.15 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 2kga h ARG 72 Cb 0.72 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 2kga h ARG 72 CO -0.00 -0.03 -0.13 0.93 -1.51 0.00 0.00 179.97 179.23 2kga h GLU 73 N -0.04 1.04 -0.39 0.20 5.08 -1.70 -2.83 114.58 115.94 2kga h GLU 73 Ca 0.26 -0.40 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 2kga h GLU 73 Cb 0.44 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2kga h GLU 73 CO -0.58 1.09 -0.21 1.25 -1.00 0.00 0.00 179.01 179.57 2kga h LEU 74 N 0.91 0.77 -0.19 1.33 7.12 -1.37 -2.68 115.31 121.20 2kga h LEU 74 Ca 0.14 -0.27 0.05 0.00 0.13 0.00 0.00 57.88 57.92 2kga h LEU 74 Cb 0.71 -0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 40.58 2kga h LEU 74 CO 0.05 0.96 -0.09 0.25 -0.13 0.00 0.00 178.44 179.48 2kga h LEU 75 N 0.67 -0.31 -1.26 2.25 5.85 -0.60 -1.56 115.31 120.33 2kga h LEU 75 Ca 0.10 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.91 2kga h LEU 75 Cb 0.71 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 2kga h LEU 75 CO 0.05 -0.12 0.51 0.44 -0.34 0.00 0.00 178.44 178.98 2kga h ASP 76 N -0.07 0.85 -0.35 1.25 3.32 -1.36 -0.53 116.42 119.53 2kga h ASP 76 Ca 0.11 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2kga h ASP 76 Cb 0.23 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2kga h ASP 76 CO -0.24 0.60 0.16 0.25 -1.72 0.00 0.00 179.24 178.29 2kga h LEU 77 N 0.99 0.47 -0.00 1.55 7.12 -0.98 0.17 115.31 124.63 2kga h LEU 77 Ca 0.30 -0.14 -0.00 0.00 0.13 0.00 0.00 57.88 58.17 2kga h LEU 77 Cb -0.03 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 39.98 2kga h LEU 77 CO -0.08 0.47 -0.00 0.40 -0.13 0.00 0.00 178.44 179.11 2kga h ILE 78 N 0.43 1.26 -0.46 4.05 1.08 -0.89 -1.54 117.51 121.44 2kga h ILE 78 Ca 0.12 -0.77 -0.02 0.00 -0.39 0.00 0.00 64.86 63.80 2kga h ILE 78 Cb 0.14 1.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.65 2kga h ILE 78 CO -0.01 0.20 0.21 0.78 -0.69 0.00 0.00 178.15 178.63 2kga h ASN 79 N -0.32 0.58 -0.15 1.72 2.35 -0.96 0.21 115.58 119.01 2kga h ASN 79 Ca 0.00 -0.05 -0.18 0.00 -0.55 0.00 0.00 56.30 55.52 2kga h ASN 79 Cb 0.33 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 2kga h ASN 79 CO 0.00 0.50 -0.56 1.23 -1.65 0.00 0.00 177.43 176.95 2kga h GLY 80 N 0.77 0.81 1.52 2.83 0.00 -0.60 -2.24 103.07 106.16 2kga h GLY 80 Ca 0.16 -0.96 -0.15 0.00 0.00 0.00 0.00 47.33 46.39 2kga h GLY 80 CO -0.02 0.86 -0.49 0.00 0.00 0.00 0.00 176.54 176.89 2kga h ALA 81 N 0.80 0.79 -0.74 3.60 0.00 -0.46 -2.75 119.26 120.50 2kga h ALA 81 Ca 0.01 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2kga h ALA 81 Cb 1.15 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2kga h ALA 81 CO 0.12 0.67 0.42 -0.07 0.00 0.00 0.00 179.25 180.39 2kga h LEU 82 N 0.41 0.91 -2.35 0.00 3.38 -0.57 -2.27 115.31 114.81 2kga h LEU 82 Ca 0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2kga h LEU 82 Cb 1.01 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2kga h LEU 82 CO 0.09 0.73 -0.00 0.00 0.09 0.00 0.00 178.44 179.35 2kga h ALA 83 N 1.22 1.00 0.03 1.53 0.00 -1.12 0.27 119.26 122.19 2kga h ALA 83 Ca 0.26 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.96 2kga h ALA 83 Cb 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kga h ALA 83 CO -0.05 0.00 -0.97 1.49 0.00 0.00 0.00 179.25 179.73 2kga h GLU 84 N 0.00 0.14 0.00 0.00 4.81 -1.21 -3.37 114.58 114.95 2kga h GLU 84 Ca -0.00 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.00 2kga h GLU 84 Cb 0.22 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2kga h GLU 84 CO 0.00 1.00 -0.55 0.00 -0.73 0.00 0.00 179.01 178.72 2kga h ALA 85 N 0.93 0.06 0.00 2.92 0.00 -1.04 -3.52 119.26 118.60 2kga h ALA 85 Ca -0.05 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2kga h ALA 85 Cb 1.65 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.88 2kga h ALA 85 CO 0.14 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.83