#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 2.69 -2.26 3.04 0.00 -1.26 -5.01 120.51 117.70 2kga n ALA 2 Ca 0.00 -2.50 -0.41 0.00 0.00 0.00 0.00 53.44 50.52 2kga n ALA 2 Cb 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 2kga n ALA 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kga s THR 3 N -1.93 3.68 0.03 0.00 -4.23 -1.26 -4.46 115.64 107.47 2kga s THR 3 Ca 0.29 0.59 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 2kga s THR 3 Cb 0.28 -4.19 0.00 0.00 1.34 0.00 0.00 72.50 69.93 2kga s THR 3 CO -0.05 -0.94 0.00 0.18 -0.54 0.00 0.00 174.62 173.27 2kga n LEU 4 N 10.13 -2.44 -4.76 4.79 4.77 -1.26 -4.97 117.00 123.26 2kga n LEU 4 Ca 0.16 0.33 -0.40 0.00 -0.03 0.00 0.00 56.01 56.07 2kga n LEU 4 Cb 0.49 0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 2kga n LEU 4 CO 0.70 -0.10 0.80 -0.22 -1.33 0.00 0.00 177.39 177.24 2kga s LEU 5 N -0.78 4.50 0.43 2.23 2.96 -1.26 -5.04 118.68 121.72 2kga s LEU 5 Ca 0.00 2.27 0.08 0.00 -0.22 0.00 0.00 54.13 56.26 2kga s LEU 5 Cb 0.00 -3.69 0.01 0.00 0.50 0.00 0.00 46.19 43.02 2kga s LEU 5 CO 0.00 -0.21 0.58 0.42 -1.32 0.00 0.00 176.35 175.83 2kga s THR 6 N -1.21 2.95 0.23 3.68 -4.23 -1.26 -4.94 115.64 110.86 2kga s THR 6 Ca 0.46 -1.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.90 2kga s THR 6 Cb -0.31 -2.95 0.20 0.00 1.34 0.00 0.00 72.50 70.77 2kga s THR 6 CO 0.40 0.00 1.85 0.74 -0.54 0.00 0.00 174.62 177.08 2kga h THR 7 N 0.61 1.06 -0.52 3.99 2.02 -1.98 0.81 112.91 118.91 2kga h THR 7 Ca -0.39 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.37 2kga h THR 7 Cb 1.28 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2kga h THR 7 CO 0.45 0.17 -0.01 0.44 0.37 0.00 0.00 175.52 176.94 2kga h ASP 8 N 0.95 0.90 -0.08 4.18 3.32 -1.97 0.22 116.42 123.94 2kga h ASP 8 Ca 0.35 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 2kga h ASP 8 Cb 0.11 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2kga h ASP 8 CO -0.15 0.99 -0.29 0.44 -1.72 0.00 0.00 179.24 178.51 2kga h ASP 9 N 0.78 0.56 -0.35 6.45 3.32 -1.86 -0.93 116.42 124.40 2kga h ASP 9 Ca 0.15 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 2kga h ASP 9 Cb 0.53 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2kga h ASP 9 CO 0.03 0.83 0.06 0.25 -1.72 0.00 0.00 179.24 178.69 2kga h LEU 10 N 0.47 0.54 -0.68 1.55 5.85 -0.51 -2.59 115.31 119.93 2kga h LEU 10 Ca 0.06 -0.25 0.14 0.00 0.84 0.00 0.00 57.88 58.66 2kga h LEU 10 Cb 0.75 -0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.54 2kga h LEU 10 CO 0.06 0.66 0.18 -0.09 -0.34 0.00 0.00 178.44 178.91 2kga h ARG 11 N 0.41 0.30 -0.38 1.25 2.43 -0.16 -0.64 114.38 117.58 2kga h ARG 11 Ca 0.11 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 2kga h ARG 11 Cb 0.34 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 2kga h ARG 11 CO 0.01 0.20 0.11 0.00 -1.51 0.00 0.00 179.97 178.77 2kga h ARG 12 N 0.30 0.25 -0.50 0.20 3.08 -0.81 0.34 114.38 117.24 2kga h ARG 12 Ca 0.37 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.37 2kga h ARG 12 Cb 0.59 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 2kga h ARG 12 CO -0.44 0.17 0.17 0.00 -1.07 0.00 0.00 179.97 178.80 2kga h ALA 13 N 1.26 0.65 -0.27 0.04 0.00 -0.96 -1.35 119.26 118.63 2kga h ALA 13 Ca 0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2kga h ALA 13 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2kga h ALA 13 CO -0.20 0.29 0.05 -0.07 0.00 0.00 0.00 179.25 179.33 2kga h LEU 14 N 0.68 0.41 -1.18 0.00 -0.00 -0.72 -2.06 115.31 112.45 2kga h LEU 14 Ca 0.16 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2kga h LEU 14 Cb 0.25 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 2kga h LEU 14 CO -0.01 0.55 0.00 1.62 -0.00 0.00 0.00 178.44 180.60 2kga h VAL 15 N 0.26 0.00 0.00 1.22 3.04 -0.15 -0.74 116.25 119.88 2kga h VAL 15 Ca 0.08 -0.28 -0.21 0.00 -1.01 0.00 0.00 66.70 65.28 2kga h VAL 15 Cb 0.31 1.09 -0.03 0.00 -2.01 0.00 0.00 31.29 30.65 2kga h VAL 15 CO 0.00 0.00 -1.09 -0.33 -1.01 0.00 0.00 177.57 175.14 2kga h GLU 16 N 0.00 0.00 0.00 4.17 5.08 -0.93 -3.35 114.58 119.54 2kga h GLU 16 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kga h GLU 16 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2kga h GLU 16 CO 0.00 0.83 -0.01 1.03 -1.00 0.00 0.00 179.01 179.86 2kga h SER 17 N 0.00 0.00 -0.77 1.42 0.87 -0.52 -3.38 113.55 111.18 2kga h SER 17 Ca -0.07 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 59.82 2kga h SER 17 Cb 1.77 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.65 2kga h SER 17 CO 0.11 0.39 2.26 0.00 -0.53 0.00 0.00 176.83 179.05 2kga n ALA 18 N -2.61 3.67 -2.88 6.23 0.00 -0.41 -4.80 120.51 119.71 2kga n ALA 18 Ca -0.00 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.61 2kga n ALA 18 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 15.85 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 5.30 3.16 2.52 0.00 0.00 -1.26 -4.69 105.19 110.23 2kga n GLY 19 Ca 0.49 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 -1.24 -2.93 1.61 -0.58 -1.26 -1.73 120.64 114.52 2kga n GLU 20 Ca 0.00 1.11 -0.21 0.00 -0.42 0.00 0.00 57.16 57.64 2kga n GLU 20 Cb 0.00 -5.36 0.03 0.00 -0.57 0.00 0.00 31.44 25.54 2kga n GLU 20 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2kga n THR 21 N -2.48 -1.84 0.06 2.62 -1.04 -1.26 -4.92 114.28 105.42 2kga n THR 21 Ca -0.17 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.62 2kga n THR 21 Cb 0.58 -3.34 -0.15 0.00 -1.82 0.00 0.00 70.33 65.60 2kga n THR 21 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2kga h ASP 22 N -1.21 0.52 -2.96 8.00 3.58 -1.65 -3.43 116.42 119.27 2kga h ASP 22 Ca -0.51 -0.93 -0.51 0.00 0.42 0.00 0.00 57.03 55.50 2kga h ASP 22 Cb 1.35 -0.17 -0.40 0.00 1.72 0.00 0.00 39.33 41.83 2kga h ASP 22 CO 0.55 1.51 -0.77 -0.83 -2.88 0.00 0.00 179.24 176.82 2kga s GLY 23 N -4.60 0.54 -0.09 -0.78 0.00 -1.26 -4.98 107.32 96.15 2kga s GLY 23 Ca -0.14 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.72 2kga s GLY 23 CO 0.84 1.85 1.01 -1.30 0.00 0.00 0.00 173.10 175.49 2kga n THR 24 N 5.19 1.10 -3.49 0.90 -2.24 -1.26 -4.55 114.28 109.93 2kga n THR 24 Ca -0.06 -0.44 -0.22 0.00 -2.27 0.00 0.00 64.05 61.06 2kga n THR 24 Cb 0.45 -0.61 -0.13 0.00 -2.10 0.00 0.00 70.33 67.94 2kga n THR 24 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2kga s ASP 25 N 0.02 2.16 -0.04 3.42 1.47 -1.26 -4.87 116.67 117.57 2kga s ASP 25 Ca 0.15 -0.72 0.02 0.00 1.18 0.00 0.00 52.55 53.17 2kga s ASP 25 Cb 0.12 0.16 0.05 0.00 -0.34 0.00 0.00 42.92 42.91 2kga s ASP 25 CO 0.04 -0.38 0.69 -0.11 0.68 0.00 0.00 175.17 176.09 2kga n LEU 26 N 5.29 -0.64 -4.34 2.11 7.94 -1.26 -5.11 117.00 120.99 2kga n LEU 26 Ca -0.05 -1.40 -0.43 0.00 -1.11 0.00 0.00 56.01 53.02 2kga n LEU 26 Cb 0.46 0.10 -0.08 0.00 0.53 0.00 0.00 43.42 44.43 2kga n LEU 26 CO 0.05 1.15 -0.01 -0.44 -1.11 0.00 0.00 177.39 177.03 2kga s SER 27 N -0.60 5.96 0.00 1.96 0.01 -1.26 -4.60 113.70 115.17 2kga s SER 27 Ca 0.01 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 55.84 2kga s SER 27 Cb 0.06 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2kga s SER 27 CO -0.02 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2kga n GLY 28 N 5.10 2.30 3.54 3.44 0.00 -1.26 -4.89 105.19 113.41 2kga n GLY 28 Ca -0.12 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 6.27 0.00 1.61 -4.77 -1.26 -4.43 116.67 114.09 2kga s ASP 29 Ca 0.00 -0.20 0.00 0.00 -3.30 0.00 0.00 52.55 49.05 2kga s ASP 29 Cb 0.00 -2.25 0.00 0.00 -1.09 0.00 0.00 42.92 39.58 2kga s ASP 29 CO 0.00 -0.50 0.00 2.22 0.70 0.00 0.00 175.17 177.59 2kga n PHE 30 N 5.70 0.00 -0.29 2.11 -1.74 -1.26 -4.66 117.46 117.31 2kga n PHE 30 Ca -0.06 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 56.91 2kga n PHE 30 Cb 0.49 0.00 0.23 0.00 1.52 0.00 0.00 39.48 41.71 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 0.46 -2.58 5.98 7.12 -1.97 0.15 115.31 124.47 2kga h LEU 31 Ca 0.00 0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.11 2kga h LEU 31 Cb 0.00 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 2kga h LEU 31 CO 0.00 0.17 0.00 -0.90 -0.13 0.00 0.00 178.44 177.58 2kga n ASP 32 N -4.92 3.50 -4.83 1.25 5.75 -1.26 -2.29 116.55 113.76 2kga n ASP 32 Ca 0.17 -1.97 -0.36 0.00 -0.01 0.00 0.00 54.79 52.62 2kga n ASP 32 Cb 0.46 -0.34 -0.06 0.00 -1.03 0.00 0.00 41.12 40.15 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 -1.14 4.35 0.15 -2.12 1.02 0.04 -4.98 118.68 116.00 2kga s LEU 33 Ca 0.39 1.24 -0.30 0.00 0.02 0.00 0.00 54.13 55.48 2kga s LEU 33 Cb 0.21 -3.40 -0.07 0.00 0.02 0.00 0.00 46.19 42.96 2kga s LEU 33 CO 0.28 0.08 1.09 -0.13 0.02 0.00 0.00 176.35 177.69 2kga s ARG 34 N -1.93 4.59 0.26 1.70 1.81 -1.26 -4.24 118.95 119.88 2kga s ARG 34 Ca 0.40 1.68 -0.02 0.00 -1.72 0.00 0.00 55.73 56.07 2kga s ARG 34 Cb -0.16 -3.30 0.53 0.00 -0.45 0.00 0.00 34.95 31.57 2kga s ARG 34 CO 0.20 0.06 1.74 0.74 -0.68 0.00 0.00 175.30 177.36 2kga h PHE 35 N 5.37 0.65 -0.25 -0.53 0.04 -1.74 -0.42 116.94 120.07 2kga h PHE 35 Ca -0.44 0.04 0.07 0.00 2.80 0.00 0.00 57.97 60.44 2kga h PHE 35 Cb 1.21 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 2kga h PHE 35 CO 0.63 0.10 0.19 0.93 -0.60 0.00 0.00 178.31 179.56 2kga h GLU 36 N 0.52 0.00 0.00 1.51 4.39 -1.86 -0.09 114.58 119.05 2kga h GLU 36 Ca 0.46 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.91 2kga h GLU 36 Cb 0.70 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.31 2kga h GLU 36 CO -0.40 0.00 -1.36 0.22 -1.16 0.00 0.00 179.01 176.31 2kga h ASP 37 N 0.00 0.00 -0.78 1.42 1.82 -1.41 -3.32 116.42 114.14 2kga h ASP 37 Ca 0.12 -0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.41 2kga h ASP 37 Cb 0.49 -0.00 -0.20 0.00 0.68 0.00 0.00 39.33 40.29 2kga h ASP 37 CO -0.00 1.00 0.43 2.30 -1.61 0.00 0.00 179.24 181.36 2kga n ILE 38 N -3.20 2.81 -1.11 2.25 -5.35 -0.75 -4.86 119.36 109.16 2kga n ILE 38 Ca -0.09 -1.57 -0.04 0.00 -0.27 0.00 0.00 62.75 60.79 2kga n ILE 38 Cb 1.00 -0.48 -0.02 0.00 -1.74 0.00 0.00 39.64 38.40 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 -0.57 0.67 3.40 3.28 0.00 -1.18 -4.97 105.19 105.82 2kga n GLY 39 Ca 0.46 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.05 2.97 0.65 1.61 1.51 -0.12 -4.96 117.35 116.95 2kga s TYR 40 Ca 0.00 -0.80 -0.03 0.00 -1.01 0.00 0.00 57.07 55.22 2kga s TYR 40 Cb 0.00 -3.94 0.05 0.00 -0.11 0.00 0.00 41.96 37.96 2kga s TYR 40 CO 0.00 -1.28 0.92 0.16 -1.11 0.00 0.00 175.55 174.25 2kga s ASP 41 N 3.41 4.96 0.27 2.29 -4.77 -1.26 -3.87 116.67 117.70 2kga s ASP 41 Ca 0.14 0.24 -0.01 0.00 -3.30 0.00 0.00 52.55 49.62 2kga s ASP 41 Cb -0.22 -0.96 0.58 0.00 -1.09 0.00 0.00 42.92 41.22 2kga s ASP 41 CO 0.08 -1.44 1.71 0.77 0.70 0.00 0.00 175.17 176.98 2kga h SER 42 N -0.35 0.25 -0.21 2.11 4.64 -1.98 0.17 113.55 118.19 2kga h SER 42 Ca -0.43 0.14 -0.18 0.00 -0.47 0.00 0.00 61.79 60.85 2kga h SER 42 Cb 1.31 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 2kga h SER 42 CO 0.56 0.04 -0.56 0.25 -0.87 0.00 0.00 176.83 176.25 2kga h LEU 43 N 0.40 0.86 -0.71 5.97 7.12 -1.98 0.13 115.31 127.09 2kga h LEU 43 Ca 0.48 -0.57 -0.08 0.00 0.13 0.00 0.00 57.88 57.83 2kga h LEU 43 Cb 0.83 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 40.68 2kga h LEU 43 CO -0.48 1.28 0.08 0.00 -0.13 0.00 0.00 178.44 179.18 2kga h ALA 44 N 0.60 0.92 -0.47 1.25 0.00 -1.73 -0.92 119.26 118.91 2kga h ALA 44 Ca -0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2kga h ALA 44 Cb 1.18 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2kga h ALA 44 CO 0.12 0.66 0.16 1.25 0.00 0.00 0.00 179.25 181.44 2kga h LEU 45 N 0.99 0.68 -1.07 0.00 5.85 -0.48 -1.39 115.31 119.89 2kga h LEU 45 Ca 0.19 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 2kga h LEU 45 Cb 0.47 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2kga h LEU 45 CO 0.02 0.70 -0.21 0.00 -0.34 0.00 0.00 178.44 178.61 2kga h MET 46 N 0.63 0.41 -0.69 1.25 -0.00 -0.48 -1.87 114.93 114.18 2kga h MET 46 Ca 0.15 -0.13 -0.04 0.00 -0.00 0.00 0.00 59.70 59.68 2kga h MET 46 Cb 0.25 -0.03 -0.03 0.00 -0.00 0.00 0.00 31.60 31.79 2kga h MET 46 CO -0.01 0.60 0.29 0.93 -0.00 0.00 0.00 176.91 178.73 2kga h GLU 47 N 0.37 1.01 0.81 -0.10 5.08 -0.64 0.35 114.58 121.46 2kga h GLU 47 Ca 0.06 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2kga h GLU 47 Cb 0.58 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2kga h GLU 47 CO 0.04 0.83 -0.47 1.15 -1.00 0.00 0.00 179.01 179.56 2kga h THR 48 N 0.97 0.05 -0.36 1.13 2.02 -0.83 -1.06 112.91 114.83 2kga h THR 48 Ca 0.23 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.45 2kga h THR 48 Cb 0.18 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.60 2kga h THR 48 CO -0.02 0.00 0.12 0.00 0.37 0.00 0.00 175.52 175.98 2kga h ALA 49 N -1.09 0.41 -0.56 6.16 0.00 -1.15 -0.16 119.26 122.87 2kga h ALA 49 Ca -0.11 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2kga h ALA 49 Cb 0.95 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2kga h ALA 49 CO 0.12 -0.28 0.27 0.00 0.00 0.00 0.00 179.25 179.36 2kga h ALA 50 N 1.24 1.41 -0.14 0.00 0.00 -0.28 0.85 119.26 122.33 2kga h ALA 50 Ca 0.16 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 2kga h ALA 50 Cb 0.15 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2kga h ALA 50 CO -0.18 0.46 -0.64 -0.09 0.00 0.00 0.00 179.25 178.80 2kga h ARG 51 N 0.79 0.54 -0.65 0.00 2.43 -0.57 -2.18 114.38 114.74 2kga h ARG 51 Ca 0.20 -0.39 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 2kga h ARG 51 Cb 0.09 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 2kga h ARG 51 CO -0.03 1.00 0.25 -0.07 -1.51 0.00 0.00 179.97 179.61 2kga h LEU 52 N 0.39 0.91 0.46 3.80 3.38 -0.06 0.23 115.31 124.42 2kga h LEU 52 Ca -0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2kga h LEU 52 Cb 1.21 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2kga h LEU 52 CO 0.12 0.85 -0.29 -0.33 0.09 0.00 0.00 178.44 178.87 2kga h GLU 53 N 0.92 -0.70 -0.64 1.13 5.08 -0.68 0.12 114.58 119.82 2kga h GLU 53 Ca 0.21 0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.55 2kga h GLU 53 Cb 0.23 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2kga h GLU 53 CO -0.01 -0.46 0.10 0.66 -1.00 0.00 0.00 179.01 178.29 2kga h SER 54 N -0.72 1.02 0.26 1.42 4.64 -1.33 0.32 113.55 119.16 2kga h SER 54 Ca -0.05 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 2kga h SER 54 Cb 0.60 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2kga h SER 54 CO 0.04 1.03 -0.12 -0.09 -0.87 0.00 0.00 176.83 176.82 2kga h ARG 55 N 0.98 -0.33 0.00 4.77 2.43 -0.86 -3.34 114.38 118.03 2kga h ARG 55 Ca 0.19 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2kga h ARG 55 Cb 0.44 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2kga h ARG 55 CO 0.01 0.02 -0.59 1.88 -1.51 0.00 0.00 179.97 179.78 2kga h TYR 56 N -0.76 0.00 -2.21 2.20 -1.99 -0.80 -3.48 116.97 109.94 2kga h TYR 56 Ca -0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.69 2kga h TYR 56 Cb 0.50 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.23 2kga h TYR 56 CO 0.04 0.02 0.00 0.41 -0.00 0.00 0.00 178.16 178.63 2kga n GLY 57 N 1.15 0.68 3.38 3.88 0.00 0.04 -4.70 105.19 109.62 2kga n GLY 57 Ca 0.01 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.83 0.51 -0.16 1.61 -7.23 -0.78 -4.74 120.40 106.78 2kga s VAL 58 Ca 0.00 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 2kga s VAL 58 Cb 0.00 -2.53 0.05 0.00 0.56 0.00 0.00 36.38 34.46 2kga s VAL 58 CO 0.00 0.00 0.04 -0.44 -0.31 0.00 0.00 175.10 174.39 2kga s SER 59 N -3.42 2.46 -0.32 4.85 0.01 -1.26 -4.51 113.70 111.50 2kga s SER 59 Ca 0.34 -0.60 -0.12 0.00 1.31 0.00 0.00 55.95 56.88 2kga s SER 59 Cb 0.05 -0.46 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 2kga s SER 59 CO 0.16 -0.29 0.21 -0.63 0.41 0.00 0.00 173.24 173.10 2kga s ILE 60 N 1.96 5.16 0.54 1.44 1.01 -1.26 -5.08 121.20 124.97 2kga s ILE 60 Ca 0.01 -0.18 -0.20 0.00 0.00 0.00 0.00 60.65 60.28 2kga s ILE 60 Cb -0.16 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 2kga s ILE 60 CO -0.07 0.06 1.17 -2.84 0.00 0.00 0.00 174.94 173.26 2kga s PRO 61 N 1.71 3.31 0.58 2.79 0.02 -1.26 -4.93 135.00 137.23 2kga s PRO 61 Ca 0.06 1.75 0.28 0.00 0.02 0.00 0.00 61.00 63.11 2kga s PRO 61 Cb -0.17 -2.08 1.76 0.00 0.02 0.00 0.00 34.50 34.03 2kga s PRO 61 CO 0.10 -0.91 2.24 0.38 -0.33 0.00 0.00 177.00 178.47 2kga h ASP 62 N 1.31 0.00 0.76 2.53 2.03 -2.04 -1.37 116.42 119.65 2kga h ASP 62 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 2kga h ASP 62 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 2kga h ASP 62 CO 0.57 0.00 0.00 -0.78 -1.03 0.00 0.00 179.24 178.00 2kga h ASP 63 N 0.00 0.00 0.88 4.15 3.58 -2.02 -2.33 116.42 120.68 2kga h ASP 63 Ca 0.01 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 2kga h ASP 63 Cb 0.03 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2kga h ASP 63 CO -0.00 0.00 -0.50 0.58 -2.88 0.00 0.00 179.24 176.44 2kga h VAL 64 N 0.00 1.08 0.18 2.25 2.07 -1.62 -3.24 116.25 116.97 2kga h VAL 64 Ca 0.00 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.62 2kga h VAL 64 Cb 0.38 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2kga h VAL 64 CO 0.00 0.49 -0.09 0.00 0.02 0.00 0.00 177.57 177.99 2kga h ALA 65 N 1.50 -0.24 0.00 1.67 0.00 -1.58 -1.17 119.26 119.44 2kga h ALA 65 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kga h ALA 65 Cb 1.07 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2kga h ALA 65 CO 0.06 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 179.11 2kga n GLY 66 N -1.09 -1.10 0.01 0.00 0.00 -1.23 -2.74 105.19 99.04 2kga n GLY 66 Ca -0.09 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.38 0.52 -2.89 1.61 1.85 -0.96 -4.78 116.66 110.63 2kga n ARG 67 Ca 0.08 -0.16 -0.43 0.00 -1.00 0.00 0.00 57.85 56.34 2kga n ARG 67 Cb 0.21 -1.41 -0.04 0.00 -1.05 0.00 0.00 32.46 30.17 2kga n ARG 67 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2kga s VAL 68 N -3.19 4.39 -0.12 8.89 1.01 -0.48 -4.79 120.40 126.10 2kga s VAL 68 Ca -0.06 -0.47 0.17 0.00 0.00 0.00 0.00 61.98 61.62 2kga s VAL 68 Cb 0.11 -4.67 -0.18 0.00 0.00 0.00 0.00 36.38 31.65 2kga s VAL 68 CO 0.71 -1.43 0.68 -0.67 0.00 0.00 0.00 175.10 174.39 2kga n ASP 69 N 7.53 0.67 -4.07 3.32 2.03 -1.26 -4.91 116.55 119.85 2kga n ASP 69 Ca -0.04 0.30 -0.13 0.00 0.52 0.00 0.00 54.79 55.44 2kga n ASP 69 Cb 0.45 0.41 -0.11 0.00 -0.72 0.00 0.00 41.12 41.15 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 -2.89 0.56 0.59 5.18 -4.23 -1.26 -2.04 115.64 111.55 2kga s THR 70 Ca -0.04 -1.17 0.29 0.00 -1.18 0.00 0.00 61.69 59.59 2kga s THR 70 Cb 0.09 -0.72 0.40 0.00 1.34 0.00 0.00 72.50 73.60 2kga s THR 70 CO 0.82 -0.43 1.81 -0.65 -0.54 0.00 0.00 174.62 175.63 2kga h PRO 71 N 4.34 0.00 -0.52 3.99 0.11 -1.71 -1.57 132.00 136.64 2kga h PRO 71 Ca -0.36 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.86 2kga h PRO 71 Cb 1.20 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.22 2kga h PRO 71 CO 0.43 0.00 -0.06 -0.09 -0.21 0.00 0.00 178.00 178.07 2kga h ARG 72 N 0.00 0.05 -0.64 1.05 2.43 -1.80 0.28 114.38 115.76 2kga h ARG 72 Ca 0.28 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.38 2kga h ARG 72 Cb 1.51 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 31.02 2kga h ARG 72 CO -0.00 0.04 0.14 0.93 -1.51 0.00 0.00 179.97 179.56 2kga h GLU 73 N 0.06 1.02 -0.41 0.20 3.07 -1.60 -2.18 114.58 114.74 2kga h GLU 73 Ca 0.26 -0.24 -0.08 0.00 -0.50 0.00 0.00 59.36 58.80 2kga h GLU 73 Cb 0.40 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 2kga h GLU 73 CO -0.49 0.91 -0.05 1.25 -1.40 0.00 0.00 179.01 179.23 2kga h LEU 74 N 0.97 0.75 -0.45 1.33 7.12 -1.44 -2.09 115.31 121.51 2kga h LEU 74 Ca 0.20 -0.34 0.05 0.00 0.13 0.00 0.00 57.88 57.93 2kga h LEU 74 Cb 0.37 -0.20 -0.05 0.00 -0.53 0.00 0.00 40.66 40.25 2kga h LEU 74 CO 0.00 0.91 0.17 0.25 -0.13 0.00 0.00 178.44 179.64 2kga h LEU 75 N 0.58 0.18 -0.60 2.25 5.85 -0.11 0.87 115.31 124.32 2kga h LEU 75 Ca 0.11 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.89 2kga h LEU 75 Cb 0.56 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 2kga h LEU 75 CO 0.03 0.14 0.38 -0.78 -0.34 0.00 0.00 178.44 177.88 2kga h ASP 76 N 0.34 0.65 -0.39 1.25 3.58 -1.22 0.13 116.42 120.76 2kga h ASP 76 Ca 0.21 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 2kga h ASP 76 Cb 0.19 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 2kga h ASP 76 CO -0.20 0.46 0.15 0.25 -2.88 0.00 0.00 179.24 177.01 2kga h LEU 77 N 0.77 0.55 -0.13 2.28 7.12 -0.65 -0.85 115.31 124.41 2kga h LEU 77 Ca 0.23 -0.18 -0.02 0.00 0.13 0.00 0.00 57.88 58.04 2kga h LEU 77 Cb -0.04 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 39.94 2kga h LEU 77 CO -0.07 0.58 -0.01 0.40 -0.13 0.00 0.00 178.44 179.21 2kga h ILE 78 N 0.48 1.26 -0.76 4.05 1.08 -0.65 -2.19 117.51 120.78 2kga h ILE 78 Ca 0.13 -0.86 -0.01 0.00 -0.39 0.00 0.00 64.86 63.73 2kga h ILE 78 Cb 0.21 1.57 -0.04 0.00 -3.07 0.00 0.00 36.82 35.49 2kga h ILE 78 CO -0.01 0.25 0.43 0.78 -0.69 0.00 0.00 178.15 178.91 2kga h ASN 79 N -0.04 0.92 -0.85 1.72 4.21 -0.63 0.42 115.58 121.35 2kga h ASN 79 Ca 0.04 -0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.45 2kga h ASN 79 Cb 0.38 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 37.31 2kga h ASN 79 CO 0.01 0.73 0.40 1.23 -1.29 0.00 0.00 177.43 178.50 2kga h GLY 80 N 1.08 1.32 1.23 2.83 0.00 -1.07 -1.72 103.07 106.75 2kga h GLY 80 Ca 0.27 -0.66 -0.21 0.00 0.00 0.00 0.00 47.33 46.73 2kga h GLY 80 CO -0.05 0.63 -0.72 0.00 0.00 0.00 0.00 176.54 176.40 2kga h ALA 81 N 1.22 0.38 -0.25 3.60 0.00 -0.60 -3.18 119.26 120.42 2kga h ALA 81 Ca 0.29 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2kga h ALA 81 Cb 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2kga h ALA 81 CO -0.03 0.69 -0.07 -0.07 0.00 0.00 0.00 179.25 179.77 2kga h LEU 82 N 0.54 0.38 -2.16 0.00 3.38 0.02 -1.48 115.31 115.98 2kga h LEU 82 Ca -0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2kga h LEU 82 Cb 1.34 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 2kga h LEU 82 CO 0.15 0.49 -0.03 0.00 0.09 0.00 0.00 178.44 179.14 2kga h ALA 83 N 1.55 1.08 -0.06 1.53 0.00 -1.29 -2.35 119.26 119.71 2kga h ALA 83 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kga h ALA 83 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2kga h ALA 83 CO 0.02 0.04 0.00 -0.85 0.00 0.00 0.00 179.25 178.46 2kga n GLU 84 N -3.23 1.97 -4.37 0.00 0.28 -0.69 -5.02 120.64 109.57 2kga n GLU 84 Ca -0.01 -2.38 -0.19 0.00 -0.16 0.00 0.00 57.16 54.41 2kga n GLU 84 Cb 0.20 -1.44 -0.10 0.00 1.43 0.00 0.00 31.44 31.52 2kga n GLU 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kga s ALA 85 N -2.40 2.13 -0.55 -1.84 0.00 -0.65 -5.06 121.76 113.40 2kga s ALA 85 Ca 0.27 -1.74 0.04 0.00 0.00 0.00 0.00 51.96 50.53 2kga s ALA 85 Cb 0.23 0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.38 2kga s ALA 85 CO 0.04 0.03 0.64 0.00 0.00 0.00 0.00 175.76 176.46