#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 2.51 -2.72 3.17 0.00 -1.26 -4.98 120.51 117.24 2kga n ALA 2 Ca 0.00 -2.51 -0.43 0.00 0.00 0.00 0.00 53.44 50.50 2kga n ALA 2 Cb 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.37 4.81 0.14 0.00 2.01 -1.26 -4.93 115.64 114.04 2kga s THR 3 Ca 0.28 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2kga s THR 3 Cb 0.26 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 68.46 2kga s THR 3 CO -0.01 -0.82 0.00 0.18 -0.69 0.00 0.00 174.62 173.29 2kga n LEU 4 N 6.35 0.00 -4.66 4.42 4.77 -1.26 -4.64 117.00 121.98 2kga n LEU 4 Ca -0.05 0.65 -0.41 0.00 -0.03 0.00 0.00 56.01 56.17 2kga n LEU 4 Cb 0.46 -1.84 -0.04 0.00 -2.33 0.00 0.00 43.42 39.67 2kga n LEU 4 CO 0.55 -1.39 0.58 -0.22 -1.33 0.00 0.00 177.39 175.58 2kga s LEU 5 N 0.00 4.14 0.00 2.23 2.96 -1.26 -5.03 118.68 121.72 2kga s LEU 5 Ca 0.00 1.06 0.07 0.00 -0.22 0.00 0.00 54.13 55.04 2kga s LEU 5 Cb 0.00 -3.15 0.07 0.00 0.50 0.00 0.00 46.19 43.61 2kga s LEU 5 CO 0.00 -0.41 0.56 0.35 -1.32 0.00 0.00 176.35 175.53 2kga n THR 6 N 4.90 0.00 0.01 3.68 -2.24 -1.26 -4.94 114.28 114.43 2kga n THR 6 Ca 0.04 -1.91 -0.10 0.00 -2.27 0.00 0.00 64.05 59.81 2kga n THR 6 Cb 0.49 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 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 0.38 0.52 -0.46 4.28 2.02 -1.99 -0.82 112.91 116.84 2kga h THR 7 Ca -0.29 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.96 2kga h THR 7 Cb 1.17 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 68.03 2kga h THR 7 CO 0.43 0.00 0.12 0.44 0.37 0.00 0.00 175.52 176.89 2kga h ASP 8 N -0.26 0.08 -0.29 4.18 5.19 -1.98 0.04 116.42 123.38 2kga h ASP 8 Ca 0.09 0.07 -0.11 0.00 -0.62 0.00 0.00 57.03 56.45 2kga h ASP 8 Cb 0.39 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 2kga h ASP 8 CO -0.25 0.07 -0.22 0.44 -3.12 0.00 0.00 179.24 176.16 2kga h ASP 9 N 0.27 0.78 -0.12 6.45 3.32 -1.87 -1.09 116.42 124.16 2kga h ASP 9 Ca 0.23 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 2kga h ASP 9 Cb 0.27 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2kga h ASP 9 CO -0.27 0.98 0.00 0.25 -1.72 0.00 0.00 179.24 178.48 2kga h LEU 10 N 0.67 0.21 -0.62 1.55 6.46 -0.73 -2.13 115.31 120.71 2kga h LEU 10 Ca 0.09 -0.31 0.12 0.00 -0.12 0.00 0.00 57.88 57.66 2kga h LEU 10 Cb 0.73 -0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 40.51 2kga h LEU 10 CO 0.06 0.47 0.14 -0.09 -0.62 0.00 0.00 178.44 178.39 2kga h ARG 11 N -0.05 0.26 -0.18 1.25 2.43 -0.72 -0.76 114.38 116.60 2kga h ARG 11 Ca 0.03 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2kga h ARG 11 Cb 0.36 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 2kga h ARG 11 CO 0.01 0.17 0.00 0.00 -1.51 0.00 0.00 179.97 178.64 2kga h ARG 12 N 0.27 0.06 -0.81 0.20 2.47 -1.00 -0.05 114.38 115.51 2kga h ARG 12 Ca 0.33 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.01 2kga h ARG 12 Cb 0.50 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.77 2kga h ARG 12 CO -0.42 0.04 0.39 0.00 0.56 0.00 0.00 179.97 180.54 2kga h ALA 13 N 1.15 1.05 0.41 0.04 0.00 -0.66 -0.58 119.26 120.66 2kga h ALA 13 Ca 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2kga h ALA 13 Cb 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2kga h ALA 13 CO -0.14 0.61 -0.19 -0.07 0.00 0.00 0.00 179.25 179.46 2kga h LEU 14 N 1.15 -0.46 -0.50 0.00 3.38 -0.94 -2.73 115.31 115.21 2kga h LEU 14 Ca 0.28 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2kga h LEU 14 Cb 0.12 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2kga h LEU 14 CO -0.04 -0.12 0.09 1.62 0.09 0.00 0.00 178.44 180.09 2kga h VAL 15 N -0.83 1.25 -0.18 1.22 3.04 -0.81 -1.03 116.25 118.91 2kga h VAL 15 Ca -0.06 -0.91 -0.11 0.00 -1.01 0.00 0.00 66.70 64.62 2kga h VAL 15 Cb 0.54 0.87 -0.01 0.00 -2.01 0.00 0.00 31.29 30.68 2kga h VAL 15 CO 0.09 0.33 -0.37 -0.33 -1.01 0.00 0.00 177.57 176.28 2kga h GLU 16 N 0.71 0.39 0.13 4.17 5.08 -1.13 0.32 114.58 124.24 2kga h GLU 16 Ca 0.15 -0.18 -0.28 0.00 -1.00 0.00 0.00 59.36 58.06 2kga h GLU 16 Cb 0.38 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2kga h GLU 16 CO 0.01 0.70 -1.32 0.77 -1.00 0.00 0.00 179.01 178.17 2kga h SER 17 N 0.33 0.42 0.49 1.42 0.02 -1.28 -3.34 113.55 111.60 2kga h SER 17 Ca 0.03 -0.48 -0.25 0.00 -0.84 0.00 0.00 61.79 60.26 2kga h SER 17 Cb 0.80 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2kga h SER 17 CO 0.06 1.38 -1.10 0.00 -1.14 0.00 0.00 176.83 176.03 2kga h ALA 18 N 0.56 0.23 -3.00 3.77 0.00 -1.09 -3.46 119.26 116.26 2kga h ALA 18 Ca -0.16 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2kga h ALA 18 Cb 1.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2kga h ALA 18 CO 0.19 0.89 0.00 0.41 0.00 0.00 0.00 179.25 180.74 2kga n GLY 19 N 1.25 2.69 0.00 0.00 0.00 0.09 -5.06 105.19 104.16 2kga n GLY 19 Ca -0.08 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.41 -0.04 1.61 1.02 -1.17 -4.78 120.64 117.69 2kga n GLU 20 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kga n GLU 20 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2kga n GLU 20 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2kga n THR 21 N 0.00 0.99 -4.09 2.62 -1.04 -1.26 -3.44 114.28 108.07 2kga n THR 21 Ca 0.00 -0.04 -0.14 0.00 -2.04 0.00 0.00 64.05 61.82 2kga n THR 21 Cb 0.00 -1.00 -0.04 0.00 -1.82 0.00 0.00 70.33 67.46 2kga n THR 21 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2kga s ASP 22 N 1.10 0.83 0.00 8.00 1.01 -1.26 -5.04 116.67 121.31 2kga s ASP 22 Ca 0.00 -1.45 0.00 0.00 0.71 0.00 0.00 52.55 51.81 2kga s ASP 22 Cb 0.00 0.65 0.00 0.00 1.01 0.00 0.00 42.92 44.58 2kga s ASP 22 CO 0.00 -1.27 0.00 0.61 0.21 0.00 0.00 175.17 174.72 2kga n GLY 23 N -0.54 4.85 0.39 0.21 0.00 -1.26 -4.86 105.19 103.98 2kga n GLY 23 Ca 0.01 -1.01 0.04 0.00 0.00 0.00 0.00 46.02 45.06 2kga n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kga n THR 24 N -1.81 0.44 -0.05 2.61 5.66 -1.26 -4.08 114.28 115.78 2kga n THR 24 Ca 0.00 -0.72 -0.06 0.00 -3.05 0.00 0.00 64.05 60.22 2kga n THR 24 Cb 0.00 0.88 -0.02 0.00 -1.55 0.00 0.00 70.33 69.63 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 0.37 1.58 0.20 1.09 2.03 -1.26 -4.60 116.55 115.96 2kga n ASP 25 Ca 0.06 0.26 0.08 0.00 0.52 0.00 0.00 54.79 55.71 2kga n ASP 25 Cb 0.28 -0.62 0.36 0.00 -0.72 0.00 0.00 41.12 40.42 2kga n ASP 25 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2kga h LEU 26 N -0.70 0.00 -8.07 -2.67 3.38 -1.91 -3.38 115.31 101.96 2kga h LEU 26 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 2kga h LEU 26 Cb 0.70 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.29 2kga h LEU 26 CO 0.00 0.30 0.81 -0.55 0.09 0.00 0.00 178.44 179.09 2kga s SER 27 N -6.30 6.48 0.00 -0.43 0.15 -1.26 -4.64 113.70 107.70 2kga s SER 27 Ca 0.01 -1.69 0.00 0.00 0.70 0.00 0.00 55.95 54.97 2kga s SER 27 Cb 0.10 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 2kga s SER 27 CO 0.67 -1.21 0.00 0.61 1.20 0.00 0.00 173.24 174.50 2kga n GLY 28 N 5.58 -0.55 3.81 9.45 0.00 -1.26 -4.68 105.19 117.53 2kga n GLY 28 Ca 0.17 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 6.73 0.00 1.61 2.15 -1.26 -4.91 116.67 116.99 2kga s ASP 29 Ca 0.00 0.86 0.00 0.00 0.43 0.00 0.00 52.55 53.84 2kga s ASP 29 Cb 0.00 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 2kga s ASP 29 CO 0.00 0.25 0.00 2.22 -0.17 0.00 0.00 175.17 177.47 2kga n PHE 30 N 2.36 0.00 -0.33 -5.34 -1.74 -1.26 -4.92 117.46 106.22 2kga n PHE 30 Ca -0.13 0.00 0.15 0.00 -0.56 0.00 0.00 57.45 56.91 2kga n PHE 30 Cb 0.52 0.00 0.35 0.00 1.52 0.00 0.00 39.48 41.87 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 0.61 -2.68 5.98 5.85 -1.98 0.34 115.31 123.43 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 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2kga h LEU 31 CO 0.00 0.12 0.00 0.47 -0.34 0.00 0.00 178.44 178.69 2kga n ASP 32 N -4.90 3.64 -4.75 1.25 8.00 -1.26 -3.50 116.55 115.03 2kga n ASP 32 Ca 0.25 -1.99 -0.40 0.00 0.71 0.00 0.00 54.79 53.36 2kga n ASP 32 Cb 0.67 -0.39 -0.05 0.00 -0.02 0.00 0.00 41.12 41.33 2kga n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2kga s LEU 33 N -1.08 4.52 0.05 0.64 1.43 0.11 -4.95 118.68 119.40 2kga s LEU 33 Ca 0.42 1.62 -0.30 0.00 -1.03 0.00 0.00 54.13 54.84 2kga s LEU 33 Cb 0.22 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 2kga s LEU 33 CO 0.29 0.07 1.02 -0.13 0.23 0.00 0.00 176.35 177.84 2kga s ARG 34 N -0.47 4.57 0.28 1.70 1.81 -1.26 -4.14 118.95 121.44 2kga s ARG 34 Ca 0.40 1.51 0.02 0.00 -1.72 0.00 0.00 55.73 55.94 2kga s ARG 34 Cb -0.22 -3.41 0.60 0.00 -0.45 0.00 0.00 34.95 31.47 2kga s ARG 34 CO 0.26 -0.02 1.79 0.74 -0.68 0.00 0.00 175.30 177.39 2kga h PHE 35 N 6.38 0.97 -0.57 -0.53 0.04 -1.62 0.79 116.94 122.40 2kga h PHE 35 Ca -0.42 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.46 2kga h PHE 35 Cb 1.22 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 39.04 2kga h PHE 35 CO 0.67 0.28 0.38 1.05 -0.60 0.00 0.00 178.31 180.09 2kga h GLU 36 N 0.78 0.46 0.00 1.51 4.11 -1.85 0.92 114.58 120.50 2kga h GLU 36 Ca 0.51 -0.03 -0.20 0.00 0.07 0.00 0.00 59.36 59.71 2kga h GLU 36 Cb 0.67 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2kga h GLU 36 CO -0.34 0.30 -1.20 0.22 0.07 0.00 0.00 179.01 178.07 2kga h ASP 37 N 0.47 0.00 -0.63 3.06 3.58 -1.25 -3.26 116.42 118.39 2kga h ASP 37 Ca 0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.71 2kga h ASP 37 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2kga h ASP 37 CO -0.07 0.79 0.00 2.30 -2.88 0.00 0.00 179.24 179.38 2kga n ILE 38 N -3.13 1.03 -0.65 2.25 -5.35 -0.35 -4.94 119.36 108.22 2kga n ILE 38 Ca -0.07 -0.90 0.00 0.00 -0.27 0.00 0.00 62.75 61.51 2kga n ILE 38 Cb 0.90 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 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 1.43 0.89 3.61 3.28 0.00 -0.78 -4.98 105.19 108.63 2kga n GLY 39 Ca 0.22 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 3.23 -0.18 1.61 1.51 0.25 -4.97 117.35 116.80 2kga s TYR 40 Ca 0.00 0.02 -0.19 0.00 -1.01 0.00 0.00 57.07 55.89 2kga s TYR 40 Cb 0.00 -2.14 -0.21 0.00 -0.11 0.00 0.00 41.96 39.50 2kga s TYR 40 CO 0.00 0.05 0.30 0.22 -1.11 0.00 0.00 175.55 175.01 2kga h ASP 41 N 7.10 0.10 0.00 2.29 3.58 -1.95 -3.35 116.42 124.19 2kga h ASP 41 Ca -0.37 -0.64 0.00 0.00 0.42 0.00 0.00 57.03 56.44 2kga h ASP 41 Cb 1.17 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.19 2kga h ASP 41 CO 0.67 1.54 0.00 -1.54 -2.88 0.00 0.00 179.24 177.03 2kga n SER 42 N -4.24 0.00 -0.05 2.28 3.41 -1.26 -5.01 113.62 108.75 2kga n SER 42 Ca -0.30 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.22 2kga n SER 42 Cb 0.75 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.68 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 0.00 -1.46 1.04 7.12 -1.99 -0.17 115.31 119.86 2kga h LEU 43 Ca 0.00 0.03 -0.05 0.00 0.13 0.00 0.00 57.88 57.99 2kga h LEU 43 Cb 0.00 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.17 2kga h LEU 43 CO 0.00 0.03 -0.22 0.00 -0.13 0.00 0.00 178.44 178.12 2kga h ALA 44 N 1.16 1.55 -0.19 1.25 0.00 -1.95 -2.06 119.26 119.03 2kga h ALA 44 Ca 0.10 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 2kga h ALA 44 Cb 0.10 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2kga h ALA 44 CO -0.13 0.33 -0.71 1.25 0.00 0.00 0.00 179.25 179.99 2kga h LEU 45 N 0.07 0.93 -0.58 0.00 5.85 -1.68 -2.26 115.31 117.64 2kga h LEU 45 Ca 0.01 -0.58 -0.14 0.00 0.84 0.00 0.00 57.88 58.02 2kga h LEU 45 Cb 0.44 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2kga h LEU 45 CO 0.03 1.37 -0.33 0.00 -0.34 0.00 0.00 178.44 179.17 2kga h MET 46 N 0.56 0.77 -0.71 1.25 -0.00 -0.58 -0.66 114.93 115.56 2kga h MET 46 Ca -0.03 -0.37 -0.06 0.00 -0.00 0.00 0.00 59.70 59.24 2kga h MET 46 Cb 1.33 -0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 32.90 2kga h MET 46 CO 0.15 0.99 0.20 0.93 -0.00 0.00 0.00 176.91 179.18 2kga h GLU 47 N 0.64 1.11 0.36 -0.10 5.08 -1.36 0.10 114.58 120.42 2kga h GLU 47 Ca 0.07 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2kga h GLU 47 Cb 0.87 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2kga h GLU 47 CO 0.08 0.96 -0.17 1.15 -1.00 0.00 0.00 179.01 180.02 2kga h THR 48 N 1.06 0.66 -0.29 1.13 2.02 -1.14 -2.56 112.91 113.79 2kga h THR 48 Ca 0.23 -0.12 0.06 0.00 0.77 0.00 0.00 66.41 67.35 2kga h THR 48 Cb 0.33 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 67.40 2kga h THR 48 CO -0.00 0.02 -0.07 0.00 0.37 0.00 0.00 175.52 175.84 2kga h ALA 49 N 0.08 0.19 -0.99 6.16 0.00 -0.84 -1.88 119.26 121.98 2kga h ALA 49 Ca -0.05 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2kga h ALA 49 Cb 0.41 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 2kga h ALA 49 CO 0.08 -0.46 0.64 0.00 0.00 0.00 0.00 179.25 179.51 2kga h ALA 50 N 1.29 1.46 -0.37 0.00 0.00 -0.96 -0.03 119.26 120.65 2kga h ALA 50 Ca 0.14 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 2kga h ALA 50 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2kga h ALA 50 CO -0.30 0.35 -0.35 -0.09 0.00 0.00 0.00 179.25 178.86 2kga h ARG 51 N 1.10 0.86 -0.15 0.00 2.43 -0.93 -1.82 114.38 115.87 2kga h ARG 51 Ca 0.45 -0.43 -0.16 0.00 -0.81 0.00 0.00 59.98 59.03 2kga h ARG 51 Cb 0.29 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2kga h ARG 51 CO -0.20 1.08 -0.57 -0.07 -1.51 0.00 0.00 179.97 178.69 2kga h LEU 52 N 0.72 0.52 0.76 3.80 3.38 -0.72 -1.62 115.31 122.14 2kga h LEU 52 Ca 0.07 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2kga h LEU 52 Cb 0.92 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.53 2kga h LEU 52 CO 0.09 0.98 -0.36 -0.33 0.09 0.00 0.00 178.44 178.90 2kga h GLU 53 N 0.36 -0.98 -0.61 1.13 5.08 -0.81 -0.58 114.58 118.17 2kga h GLU 53 Ca 0.00 0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2kga h GLU 53 Cb 1.10 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 2kga h GLU 53 CO 0.10 -0.65 0.23 0.77 -1.00 0.00 0.00 179.01 178.45 2kga h SER 54 N -1.02 0.82 0.13 1.42 0.02 -1.35 0.67 113.55 114.24 2kga h SER 54 Ca -0.10 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 2kga h SER 54 Cb 0.78 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2kga h SER 54 CO 0.17 0.74 -0.06 -0.09 -1.14 0.00 0.00 176.83 176.45 2kga h ARG 55 N 0.88 -0.17 -0.00 3.45 2.43 -1.22 -3.32 114.38 116.42 2kga h ARG 55 Ca 0.21 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2kga h ARG 55 Cb 0.19 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2kga h ARG 55 CO -0.02 0.21 -0.43 0.66 -1.51 0.00 0.00 179.97 178.88 2kga n TYR 56 N -4.98 0.00 -2.41 2.20 4.01 -0.23 -4.94 117.16 110.81 2kga n TYR 56 Ca -0.09 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.63 2kga n TYR 56 Cb 0.24 -0.26 0.01 0.00 -0.31 0.00 0.00 39.34 39.02 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 1.48 0.53 3.43 2.72 0.00 0.12 -5.00 105.19 108.47 2kga n GLY 57 Ca 0.06 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.05 0.73 -0.04 1.61 -7.23 -0.56 -5.00 120.40 106.87 2kga s VAL 58 Ca 0.04 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.19 2kga s VAL 58 Cb -0.02 -2.56 0.03 0.00 0.56 0.00 0.00 36.38 34.39 2kga s VAL 58 CO 0.10 0.00 0.09 -0.55 -0.31 0.00 0.00 175.10 174.43 2kga s SER 59 N -3.48 -0.04 -0.39 4.85 0.15 -1.26 -4.41 113.70 109.11 2kga s SER 59 Ca 0.32 0.18 -0.16 0.00 0.70 0.00 0.00 55.95 56.99 2kga s SER 59 Cb 0.06 0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.47 2kga s SER 59 CO 0.15 -0.11 0.38 -0.63 1.20 0.00 0.00 173.24 174.23 2kga s ILE 60 N 0.87 5.15 0.59 6.45 1.01 -1.26 -5.02 121.20 128.99 2kga s ILE 60 Ca -0.07 -0.25 -0.20 0.00 0.00 0.00 0.00 60.65 60.14 2kga s ILE 60 Cb -0.09 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 2kga s ILE 60 CO -0.04 -0.27 1.30 -2.84 0.00 0.00 0.00 174.94 173.10 2kga s PRO 61 N 2.00 2.88 0.11 2.79 0.02 -1.26 -4.82 135.00 136.72 2kga s PRO 61 Ca 0.11 2.08 -0.23 0.00 0.02 0.00 0.00 61.00 62.98 2kga s PRO 61 Cb -0.17 -2.03 -0.08 0.00 0.02 0.00 0.00 34.50 32.24 2kga s PRO 61 CO 0.12 -1.35 1.69 0.22 -0.33 0.00 0.00 177.00 177.36 2kga h ASP 62 N 0.99 -0.28 1.31 2.53 1.82 -1.99 -0.01 116.42 120.78 2kga h ASP 62 Ca -0.51 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 2kga h ASP 62 Cb 1.31 0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.45 2kga h ASP 62 CO 0.55 -0.14 0.00 -2.24 -1.61 0.00 0.00 179.24 175.81 2kga h ASP 63 N -0.15 0.00 -0.00 2.28 2.03 -1.98 -1.38 116.42 117.22 2kga h ASP 63 Ca 0.05 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.16 2kga h ASP 63 Cb 0.21 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.73 2kga h ASP 63 CO -0.12 0.00 -0.74 0.58 -1.03 0.00 0.00 179.24 177.92 2kga h VAL 64 N 0.00 1.38 -0.21 4.15 2.07 -1.68 -2.31 116.25 119.64 2kga h VAL 64 Ca 0.00 -2.13 -0.02 0.00 0.82 0.00 0.00 66.70 65.38 2kga h VAL 64 Cb 0.65 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 2kga h VAL 64 CO 0.00 0.63 0.06 0.00 0.02 0.00 0.00 177.57 178.28 2kga h ALA 65 N 0.35 1.71 0.00 1.67 0.00 -0.51 -1.62 119.26 120.86 2kga h ALA 65 Ca -0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2kga h ALA 65 Cb 1.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2kga h ALA 65 CO 0.15 0.23 -0.11 0.78 0.00 0.00 0.00 179.25 180.29 2kga h GLY 66 N 0.47 0.00 -1.57 0.00 0.00 -1.04 -2.55 103.07 98.38 2kga h GLY 66 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2kga h GLY 66 CO -0.00 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.58 2kga n ARG 67 N -3.27 2.15 -2.83 4.80 1.85 -0.63 -4.67 116.66 114.05 2kga n ARG 67 Ca 0.00 -1.70 -0.43 0.00 -1.00 0.00 0.00 57.85 54.72 2kga n ARG 67 Cb 0.35 -1.47 -0.02 0.00 -1.05 0.00 0.00 32.46 30.28 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 -1.78 4.56 -0.17 8.89 1.01 -0.96 -4.66 120.40 127.28 2kga s VAL 68 Ca 0.34 -1.58 0.18 0.00 0.00 0.00 0.00 61.98 60.92 2kga s VAL 68 Cb 0.20 -4.89 -0.06 0.00 0.00 0.00 0.00 36.38 31.64 2kga s VAL 68 CO 0.30 -1.65 0.97 0.44 0.00 0.00 0.00 175.10 175.16 2kga h ASP 69 N 8.71 0.00 -4.52 3.32 3.32 -1.85 -3.46 116.42 121.93 2kga h ASP 69 Ca 0.21 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.93 2kga h ASP 69 Cb 0.99 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.31 2kga h ASP 69 CO 1.22 0.38 -0.75 0.42 -1.72 0.00 0.00 179.24 178.79 2kga s THR 70 N -3.07 0.68 0.58 0.35 -4.23 -1.26 -1.57 115.64 107.12 2kga s THR 70 Ca -0.01 -0.96 0.28 0.00 -1.18 0.00 0.00 61.69 59.81 2kga s THR 70 Cb 0.09 -0.69 0.37 0.00 1.34 0.00 0.00 72.50 73.61 2kga s THR 70 CO 0.79 -0.22 2.02 -0.65 -0.54 0.00 0.00 174.62 176.02 2kga h PRO 71 N 4.77 0.00 -0.69 3.99 0.11 -1.72 -2.21 132.00 136.25 2kga h PRO 71 Ca -0.36 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.90 2kga h PRO 71 Cb 1.20 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 2kga h PRO 71 CO 0.43 0.00 0.16 -0.09 -0.21 0.00 0.00 178.00 178.28 2kga h ARG 72 N 0.00 0.26 -0.43 1.05 2.43 -1.90 0.21 114.38 116.00 2kga h ARG 72 Ca 0.15 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 2kga h ARG 72 Cb 0.77 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 2kga h ARG 72 CO -0.00 0.17 -0.07 0.93 -1.51 0.00 0.00 179.97 179.49 2kga h GLU 73 N 0.27 0.74 -0.23 0.20 4.39 -1.74 -0.96 114.58 117.25 2kga h GLU 73 Ca 0.38 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.80 2kga h GLU 73 Cb 0.62 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2kga h GLU 73 CO -0.48 0.80 -0.08 1.25 -1.16 0.00 0.00 179.01 179.34 2kga h LEU 74 N 0.68 0.47 -0.28 1.33 7.12 -1.42 -2.31 115.31 120.89 2kga h LEU 74 Ca 0.12 -0.38 0.05 0.00 0.13 0.00 0.00 57.88 57.81 2kga h LEU 74 Cb 0.52 -0.13 -0.05 0.00 -0.53 0.00 0.00 40.66 40.47 2kga h LEU 74 CO 0.03 0.75 -0.04 0.25 -0.13 0.00 0.00 178.44 179.29 2kga h LEU 75 N 0.19 -0.21 -0.52 2.25 5.85 -0.65 -2.04 115.31 120.18 2kga h LEU 75 Ca 0.06 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.89 2kga h LEU 75 Cb 0.55 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 2kga h LEU 75 CO 0.03 -0.07 0.30 -0.78 -0.34 0.00 0.00 178.44 177.57 2kga h ASP 76 N 0.03 0.46 -0.58 1.25 3.58 -1.07 -1.49 116.42 118.60 2kga h ASP 76 Ca 0.14 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 2kga h ASP 76 Cb 0.20 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 2kga h ASP 76 CO -0.27 0.32 0.24 0.25 -2.88 0.00 0.00 179.24 176.90 2kga h LEU 77 N 0.58 0.79 0.66 2.28 7.12 -1.03 0.92 115.31 126.64 2kga h LEU 77 Ca 0.22 -0.17 -0.03 0.00 0.13 0.00 0.00 57.88 58.03 2kga h LEU 77 Cb 0.07 -0.21 0.01 0.00 -0.53 0.00 0.00 40.66 40.00 2kga h LEU 77 CO -0.12 0.74 -0.32 0.40 -0.13 0.00 0.00 178.44 179.01 2kga h ILE 78 N 0.79 0.00 0.00 4.05 1.08 -1.10 -2.57 117.51 119.76 2kga h ILE 78 Ca 0.19 -0.18 -0.03 0.00 -0.39 0.00 0.00 64.86 64.46 2kga h ILE 78 Cb 0.19 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.94 2kga h ILE 78 CO -0.02 0.00 -0.13 0.78 -0.69 0.00 0.00 178.15 178.09 2kga h ASN 79 N -1.07 0.00 -0.41 1.72 2.35 -1.29 -1.40 115.58 115.49 2kga h ASN 79 Ca -0.09 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 2kga h ASN 79 Cb 0.68 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 2kga h ASN 79 CO 0.15 0.13 0.11 1.23 -1.65 0.00 0.00 177.43 177.41 2kga h GLY 80 N 0.87 0.69 1.24 2.83 0.00 -0.75 0.13 103.07 108.08 2kga h GLY 80 Ca -0.00 -0.42 -0.18 0.00 0.00 0.00 0.00 47.33 46.73 2kga h GLY 80 CO 0.02 0.39 -0.54 0.00 0.00 0.00 0.00 176.54 176.41 2kga h ALA 81 N 0.96 0.54 0.10 3.60 0.00 -0.97 -2.37 119.26 121.11 2kga h ALA 81 Ca 0.13 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kga h ALA 81 Cb 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2kga h ALA 81 CO -0.00 0.68 -0.05 -0.07 0.00 0.00 0.00 179.25 179.81 2kga h LEU 82 N 0.61 -0.11 -1.75 0.00 3.38 -1.11 -0.25 115.31 116.07 2kga h LEU 82 Ca 0.02 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2kga h LEU 82 Cb 1.13 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2kga h LEU 82 CO 0.12 0.07 -0.13 0.00 0.09 0.00 0.00 178.44 178.58 2kga h ALA 83 N 0.59 1.75 0.33 1.53 0.00 -0.77 -2.69 119.26 120.00 2kga h ALA 83 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2kga h ALA 83 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kga h ALA 83 CO 0.02 0.17 -0.16 1.49 0.00 0.00 0.00 179.25 180.77 2kga h GLU 84 N 0.00 -0.43 -5.35 0.00 4.81 -1.17 -3.49 114.58 108.94 2kga h GLU 84 Ca -0.00 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2kga h GLU 84 Cb 0.24 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2kga h GLU 84 CO 0.02 -0.12 -0.88 0.00 -0.73 0.00 0.00 179.01 177.30 2kga n ALA 85 N -2.60 -3.18 -1.92 2.92 0.00 -0.13 -5.10 120.51 110.50 2kga n ALA 85 Ca -0.09 0.63 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2kga n ALA 85 Cb 0.27 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2kga n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50