#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 3.35 -0.29 3.04 0.00 -1.26 -4.98 121.76 121.61 2kga s ALA 2 Ca 0.00 -2.17 0.03 0.00 0.00 0.00 0.00 51.96 49.82 2kga s ALA 2 Cb 0.00 -3.63 0.08 0.00 0.00 0.00 0.00 23.12 19.56 2kga s ALA 2 CO 0.00 -2.48 -0.04 -0.08 0.00 0.00 0.00 175.76 173.15 2kga s THR 3 N 3.00 2.17 0.55 0.00 -1.32 -1.26 -5.09 115.64 113.69 2kga s THR 3 Ca 0.15 -1.89 0.09 0.00 -1.21 0.00 0.00 61.69 58.83 2kga s THR 3 Cb -0.21 -2.41 0.07 0.00 -1.51 0.00 0.00 72.50 68.44 2kga s THR 3 CO 0.06 -0.26 0.75 -0.76 -2.21 0.00 0.00 174.62 172.20 2kga s LEU 4 N 1.04 3.18 -0.13 9.08 1.43 -1.26 -4.99 118.68 127.03 2kga s LEU 4 Ca -0.01 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.32 2kga s LEU 4 Cb -0.20 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.26 2kga s LEU 4 CO -0.06 -1.25 -0.16 -0.22 0.23 0.00 0.00 176.35 174.89 2kga s LEU 5 N -4.61 1.79 0.00 1.79 0.20 -1.26 -5.08 118.68 111.52 2kga s LEU 5 Ca 0.60 -0.48 0.07 0.00 0.69 0.00 0.00 54.13 55.01 2kga s LEU 5 Cb -0.06 -1.19 0.07 0.00 -0.43 0.00 0.00 46.19 44.58 2kga s LEU 5 CO 0.38 0.01 0.57 0.35 -0.29 0.00 0.00 176.35 177.36 2kga n THR 6 N 4.33 0.00 0.06 3.68 -2.24 -1.26 -4.87 114.28 113.99 2kga n THR 6 Ca -0.19 -1.49 0.13 0.00 -2.27 0.00 0.00 64.05 60.23 2kga n THR 6 Cb 0.51 -0.56 0.61 0.00 -2.10 0.00 0.00 70.33 68.78 2kga n THR 6 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2kga h THR 7 N 0.15 0.88 -0.13 4.28 1.35 -2.00 -0.54 112.91 116.91 2kga h THR 7 Ca -0.21 -0.05 -0.16 0.00 -0.55 0.00 0.00 66.41 65.43 2kga h THR 7 Cb 0.95 0.73 0.01 0.00 -1.73 0.00 0.00 68.15 68.10 2kga h THR 7 CO 0.31 0.03 -0.56 -0.78 -0.25 0.00 0.00 175.52 174.27 2kga h ASP 8 N 0.15 0.72 -0.67 5.36 3.58 -1.98 0.11 116.42 123.68 2kga h ASP 8 Ca 0.17 -0.63 -0.07 0.00 0.42 0.00 0.00 57.03 56.93 2kga h ASP 8 Cb 0.50 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 2kga h ASP 8 CO -0.02 1.22 0.16 0.44 -2.88 0.00 0.00 179.24 178.16 2kga h ASP 9 N 0.25 1.03 -0.31 2.28 5.19 -1.79 -1.74 116.42 121.33 2kga h ASP 9 Ca -0.03 -0.22 -0.08 0.00 -0.62 0.00 0.00 57.03 56.08 2kga h ASP 9 Cb 1.19 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 2kga h ASP 9 CO 0.12 0.99 -0.13 0.25 -3.12 0.00 0.00 179.24 177.34 2kga h LEU 10 N 1.03 0.65 -0.67 1.55 5.85 -1.06 -3.15 115.31 119.51 2kga h LEU 10 Ca 0.21 -0.40 0.11 0.00 0.84 0.00 0.00 57.88 58.65 2kga h LEU 10 Cb 0.37 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 2kga h LEU 10 CO 0.00 0.90 0.26 -0.09 -0.34 0.00 0.00 178.44 179.17 2kga h ARG 11 N 0.39 0.42 -0.78 1.25 2.43 -0.27 0.16 114.38 117.99 2kga h ARG 11 Ca 0.07 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 2kga h ARG 11 Cb 0.65 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 2kga h ARG 11 CO 0.04 0.28 0.47 0.00 -1.51 0.00 0.00 179.97 179.25 2kga h ARG 12 N 0.43 0.84 -0.07 0.20 3.08 -1.30 0.27 114.38 117.83 2kga h ARG 12 Ca 0.35 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.31 2kga h ARG 12 Cb 0.46 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 2kga h ARG 12 CO -0.34 0.55 -0.10 0.00 -1.07 0.00 0.00 179.97 179.02 2kga h ALA 13 N 1.38 0.10 0.00 0.04 0.00 -1.26 -3.31 119.26 116.20 2kga h ALA 13 Ca 0.34 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2kga h ALA 13 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2kga h ALA 13 CO -0.17 -0.05 -0.34 -0.07 0.00 0.00 0.00 179.25 178.62 2kga h LEU 14 N -0.28 0.00 -1.12 0.00 3.38 -0.27 -2.49 115.31 114.53 2kga h LEU 14 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kga h LEU 14 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2kga h LEU 14 CO 0.02 0.34 0.00 1.62 0.09 0.00 0.00 178.44 180.51 2kga h VAL 15 N 0.00 0.00 0.00 1.22 3.04 -0.57 -3.00 116.25 116.94 2kga h VAL 15 Ca -0.00 -0.18 -0.03 0.00 -1.01 0.00 0.00 66.70 65.48 2kga h VAL 15 Cb 0.62 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 2kga h VAL 15 CO 0.04 0.00 -0.11 -0.33 -1.01 0.00 0.00 177.57 176.17 2kga h GLU 16 N 0.00 0.07 0.00 4.17 5.08 -1.57 -3.40 114.58 118.93 2kga h GLU 16 Ca 0.00 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2kga h GLU 16 Cb 0.25 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2kga h GLU 16 CO 0.00 0.88 -0.13 0.77 -1.00 0.00 0.00 179.01 179.53 2kga h SER 17 N -0.72 0.00 -0.49 1.42 0.02 -1.67 -3.37 113.55 108.74 2kga h SER 17 Ca -0.01 -0.83 -0.71 0.00 -0.84 0.00 0.00 61.79 59.40 2kga h SER 17 Cb 0.92 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.39 2kga h SER 17 CO 0.02 0.99 2.67 0.00 -1.14 0.00 0.00 176.83 179.37 2kga n ALA 18 N -2.72 4.86 0.00 3.77 0.00 -1.15 -3.99 120.51 121.29 2kga n ALA 18 Ca -0.11 -3.93 0.00 0.00 0.00 0.00 0.00 53.44 49.40 2kga n ALA 18 Cb 0.45 -3.48 0.00 0.00 0.00 0.00 0.00 19.45 16.41 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 4.36 -1.38 2.50 0.00 0.00 -1.26 -2.56 105.19 106.85 2kga n GLY 19 Ca 0.49 0.67 -0.28 0.00 0.00 0.00 0.00 46.02 46.90 2kga n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kga s GLU 20 N 0.00 0.46 -1.77 1.61 2.12 -1.26 -4.72 118.70 115.14 2kga s GLU 20 Ca 0.00 -1.09 0.00 0.00 0.36 0.00 0.00 54.97 54.24 2kga s GLU 20 Cb 0.00 -1.21 0.00 0.00 0.26 0.00 0.00 34.13 33.18 2kga s GLU 20 CO 0.00 -1.16 0.00 2.41 -0.54 0.00 0.00 175.26 175.97 2kga n THR 21 N 4.36 -0.72 -0.04 -1.70 -1.04 -1.26 -4.81 114.28 109.08 2kga n THR 21 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2kga n THR 21 Cb 0.39 -2.62 0.00 0.00 -1.82 0.00 0.00 70.33 66.28 2kga n THR 21 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2kga n ASP 22 N -1.62 0.22 0.00 8.00 5.68 -1.26 -4.98 116.55 122.60 2kga n ASP 22 Ca -0.22 -0.58 0.00 0.00 -0.50 0.00 0.00 54.79 53.49 2kga n ASP 22 Cb 0.67 0.64 0.00 0.00 -1.14 0.00 0.00 41.12 41.29 2kga n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kga n GLY 23 N 0.64 0.51 2.18 6.12 0.00 -1.26 -4.45 105.19 108.94 2kga n GLY 23 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 -5.24 0.24 2.61 -1.04 -1.26 -4.94 114.28 102.64 2kga n THR 24 Ca 0.00 -0.04 0.09 0.00 -2.04 0.00 0.00 64.05 62.06 2kga n THR 24 Cb 0.00 -5.10 0.59 0.00 -1.82 0.00 0.00 70.33 64.00 2kga n THR 24 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2kga h ASP 25 N 0.30 0.00 -1.60 8.00 3.58 -1.76 -3.36 116.42 121.57 2kga h ASP 25 Ca 0.00 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 56.86 2kga h ASP 25 Cb 0.93 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.87 2kga h ASP 25 CO 0.13 0.19 1.30 -0.22 -2.88 0.00 0.00 179.24 177.76 2kga s LEU 26 N -7.67 3.55 -0.09 2.28 1.98 -1.06 -4.88 118.68 112.79 2kga s LEU 26 Ca -0.03 -1.20 -0.21 0.00 -2.89 0.00 0.00 54.13 49.81 2kga s LEU 26 Cb 0.14 -2.55 0.05 0.00 0.66 0.00 0.00 46.19 44.48 2kga s LEU 26 CO 0.64 -1.57 0.49 -0.44 -1.89 0.00 0.00 176.35 173.58 2kga s SER 27 N 4.50 -0.45 0.47 3.68 0.01 -1.26 -4.61 113.70 116.03 2kga s SER 27 Ca 0.41 0.60 0.00 0.00 1.31 0.00 0.00 55.95 58.27 2kga s SER 27 Cb -0.03 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2kga s SER 27 CO -0.02 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.84 2kga n GLY 28 N 1.71 1.27 3.41 3.44 0.00 -1.26 -4.85 105.19 108.91 2kga n GLY 28 Ca -0.18 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 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 3.19 0.00 1.61 -1.08 -1.26 -5.02 116.67 110.11 2kga s ASP 29 Ca 0.00 -0.98 0.00 0.00 -0.52 0.00 0.00 52.55 51.05 2kga s ASP 29 Cb 0.00 -0.23 0.00 0.00 -1.46 0.00 0.00 42.92 41.23 2kga s ASP 29 CO 0.00 -0.01 0.00 2.22 0.52 0.00 0.00 175.17 177.90 2kga n PHE 30 N -0.31 0.00 -0.16 -5.34 1.16 -1.26 -4.95 117.46 106.61 2kga n PHE 30 Ca -0.08 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.48 2kga n PHE 30 Cb 0.59 0.03 0.07 0.00 -1.61 0.00 0.00 39.48 38.56 2kga n PHE 30 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 2kga h LEU 31 N 0.00 0.08 -1.16 5.98 5.85 -1.96 -1.51 115.31 122.60 2kga h LEU 31 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2kga h LEU 31 Cb 0.32 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2kga h LEU 31 CO 0.00 0.07 -0.30 -0.67 -0.34 0.00 0.00 178.44 177.20 2kga n ASP 32 N -5.06 2.10 -4.80 1.25 2.03 -1.26 -3.07 116.55 107.74 2kga n ASP 32 Ca 0.05 -1.55 -0.37 0.00 0.52 0.00 0.00 54.79 53.45 2kga n ASP 32 Cb 0.23 0.28 -0.06 0.00 -0.72 0.00 0.00 41.12 40.85 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 -2.33 4.39 0.26 -2.67 1.02 -0.57 -5.00 118.68 113.77 2kga s LEU 33 Ca 0.23 1.58 -0.30 0.00 0.02 0.00 0.00 54.13 55.66 2kga s LEU 33 Cb 0.19 -3.66 -0.09 0.00 0.02 0.00 0.00 46.19 42.65 2kga s LEU 33 CO 0.48 0.04 1.04 -0.13 0.02 0.00 0.00 176.35 177.80 2kga s ARG 34 N -1.84 4.72 0.23 1.70 3.00 -1.26 -4.11 118.95 121.39 2kga s ARG 34 Ca 0.44 1.67 -0.07 0.00 0.00 0.00 0.00 55.73 57.77 2kga s ARG 34 Cb -0.18 -3.23 0.40 0.00 0.00 0.00 0.00 34.95 31.94 2kga s ARG 34 CO 0.23 0.32 1.66 0.74 0.00 0.00 0.00 175.30 178.26 2kga h PHE 35 N 4.05 0.09 -0.22 -0.53 0.04 -0.86 0.88 116.94 120.39 2kga h PHE 35 Ca -0.46 0.05 0.06 0.00 2.80 0.00 0.00 57.97 60.42 2kga h PHE 35 Cb 1.21 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.42 2kga h PHE 35 CO 0.60 -0.15 0.19 1.05 -0.60 0.00 0.00 178.31 179.40 2kga h GLU 36 N 0.17 0.00 0.00 1.51 4.11 -1.69 0.15 114.58 118.83 2kga h GLU 36 Ca 0.38 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.80 2kga h GLU 36 Cb 0.65 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2kga h GLU 36 CO -0.55 0.00 -0.95 0.22 0.07 0.00 0.00 179.01 177.79 2kga h ASP 37 N 0.00 0.00 -0.75 3.06 3.58 -1.12 -3.34 116.42 117.85 2kga h ASP 37 Ca 0.10 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.25 2kga h ASP 37 Cb 0.48 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 41.35 2kga h ASP 37 CO -0.00 0.06 0.35 2.30 -2.88 0.00 0.00 179.24 179.07 2kga n ILE 38 N -2.74 2.95 -0.48 2.25 -5.35 -0.25 -4.89 119.36 110.86 2kga n ILE 38 Ca -0.01 -1.90 0.00 0.00 -0.27 0.00 0.00 62.75 60.57 2kga n ILE 38 Cb 0.58 -0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.09 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 -0.65 0.75 3.33 3.28 0.00 -1.11 -4.04 105.19 106.76 2kga n GLY 39 Ca 0.46 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.49 3.28 -0.15 1.61 1.51 0.35 -4.77 117.35 116.68 2kga s TYR 40 Ca 0.00 -1.19 -0.27 0.00 -1.01 0.00 0.00 57.07 54.60 2kga s TYR 40 Cb 0.00 -2.71 -0.25 0.00 -0.11 0.00 0.00 41.96 38.89 2kga s TYR 40 CO 0.00 -0.75 0.65 0.22 -1.11 0.00 0.00 175.55 174.57 2kga h ASP 41 N 8.46 0.02 0.00 2.29 1.82 -1.87 -2.43 116.42 124.71 2kga h ASP 41 Ca -0.25 -0.89 0.00 0.00 -0.39 0.00 0.00 57.03 55.50 2kga h ASP 41 Cb 1.10 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.10 2kga h ASP 41 CO 0.72 1.12 0.00 -1.54 -1.61 0.00 0.00 179.24 177.94 2kga n SER 42 N -4.55 0.00 -0.10 2.28 3.41 -1.26 -4.86 113.62 108.54 2kga n SER 42 Ca -0.15 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.38 2kga n SER 42 Cb 0.54 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 0.37 -1.69 1.04 5.85 -1.99 -0.53 115.31 118.36 2kga h LEU 43 Ca 0.00 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2kga h LEU 43 Cb 0.00 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2kga h LEU 43 CO 0.00 0.27 -0.18 0.00 -0.34 0.00 0.00 178.44 178.18 2kga h ALA 44 N 1.14 1.56 -0.06 1.25 0.00 -1.94 -0.97 119.26 120.24 2kga h ALA 44 Ca 0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2kga h ALA 44 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2kga h ALA 44 CO -0.04 0.23 -0.11 1.25 0.00 0.00 0.00 179.25 180.57 2kga h LEU 45 N 0.00 0.21 -1.15 0.00 5.85 -1.61 -1.01 115.31 117.58 2kga h LEU 45 Ca -0.00 -0.55 -0.08 0.00 0.84 0.00 0.00 57.88 58.09 2kga h LEU 45 Cb 0.35 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2kga h LEU 45 CO 0.02 0.72 -0.25 0.00 -0.34 0.00 0.00 178.44 178.59 2kga h MET 46 N -0.30 0.28 0.49 1.25 -0.00 -0.66 0.14 114.93 116.13 2kga h MET 46 Ca 0.00 -0.09 -0.02 0.00 -0.00 0.00 0.00 59.70 59.59 2kga h MET 46 Cb 0.68 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.27 2kga h MET 46 CO 0.03 0.52 -0.23 0.93 -0.00 0.00 0.00 176.91 178.15 2kga h GLU 47 N 0.25 -0.63 -0.81 -0.10 5.08 -1.15 -2.32 114.58 114.90 2kga h GLU 47 Ca 0.04 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2kga h GLU 47 Cb 0.58 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 2kga h GLU 47 CO 0.04 -0.35 0.41 1.15 -1.00 0.00 0.00 179.01 179.26 2kga h THR 48 N -0.81 1.25 -0.05 1.13 2.02 -0.96 -1.14 112.91 114.36 2kga h THR 48 Ca -0.07 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.47 2kga h THR 48 Cb 0.57 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2kga h THR 48 CO 0.11 0.29 -0.13 0.00 0.37 0.00 0.00 175.52 176.16 2kga h ALA 49 N 1.30 -0.11 -0.44 6.16 0.00 -0.69 0.31 119.26 125.79 2kga h ALA 49 Ca 0.28 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 2kga h ALA 49 Cb 0.08 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2kga h ALA 49 CO -0.04 -0.61 0.01 0.00 0.00 0.00 0.00 179.25 178.62 2kga h ALA 50 N 0.80 1.21 -0.51 0.00 0.00 -1.16 -1.60 119.26 118.00 2kga h ALA 50 Ca 0.06 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2kga h ALA 50 Cb 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2kga h ALA 50 CO -0.16 0.52 0.09 -0.09 0.00 0.00 0.00 179.25 179.61 2kga h ARG 51 N 0.66 0.84 -0.83 0.00 2.43 -0.59 -1.53 114.38 115.36 2kga h ARG 51 Ca 0.14 -0.22 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2kga h ARG 51 Cb 0.39 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 2kga h ARG 51 CO 0.01 0.83 0.54 -0.07 -1.51 0.00 0.00 179.97 179.78 2kga h LEU 52 N 0.72 0.93 0.21 3.80 3.38 0.20 0.37 115.31 124.93 2kga h LEU 52 Ca 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2kga h LEU 52 Cb 0.39 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2kga h LEU 52 CO 0.01 0.66 -0.19 -0.33 0.09 0.00 0.00 178.44 178.68 2kga h GLU 53 N 1.09 -0.41 -0.02 1.13 5.08 -0.97 0.63 114.58 121.11 2kga h GLU 53 Ca 0.31 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2kga h GLU 53 Cb -0.08 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2kga h GLU 53 CO -0.08 -0.27 0.01 1.03 -1.00 0.00 0.00 179.01 178.69 2kga h SER 54 N -0.43 0.03 0.24 1.42 0.87 -0.88 -0.19 113.55 114.62 2kga h SER 54 Ca -0.01 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 2kga h SER 54 Cb 0.39 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2kga h SER 54 CO -0.03 0.16 -0.12 -0.09 -0.53 0.00 0.00 176.83 176.22 2kga h ARG 55 N -0.11 -0.31 0.00 2.24 2.43 -0.18 -3.30 114.38 115.14 2kga h ARG 55 Ca 0.01 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2kga h ARG 55 Cb 0.14 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2kga h ARG 55 CO -0.00 -0.04 -1.22 0.66 -1.51 0.00 0.00 179.97 177.86 2kga n TYR 56 N -5.12 0.41 -1.56 2.20 4.01 0.20 -4.96 117.16 112.34 2kga n TYR 56 Ca -0.09 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2kga n TYR 56 Cb 0.23 -0.59 0.00 0.00 -0.31 0.00 0.00 39.34 38.66 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 1.29 0.97 3.86 2.72 0.00 -0.15 -4.77 105.19 109.11 2kga n GLY 57 Ca 0.00 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.53 2.14 -0.15 1.61 -7.23 -0.81 -4.09 120.40 109.35 2kga s VAL 58 Ca 0.00 -1.48 -0.02 0.00 -1.81 0.00 0.00 61.98 58.67 2kga s VAL 58 Cb 0.00 -2.63 0.05 0.00 0.56 0.00 0.00 36.38 34.36 2kga s VAL 58 CO 0.00 0.00 0.01 -0.44 -0.31 0.00 0.00 175.10 174.36 2kga s SER 59 N -4.15 2.42 -0.34 4.85 0.01 -1.26 -4.39 113.70 110.84 2kga s SER 59 Ca 0.41 -0.53 -0.09 0.00 1.31 0.00 0.00 55.95 57.05 2kga s SER 59 Cb -0.01 -0.59 0.02 0.00 0.21 0.00 0.00 66.02 65.65 2kga s SER 59 CO 0.24 -0.25 0.14 -0.63 0.41 0.00 0.00 173.24 173.16 2kga s ILE 60 N 1.87 4.23 0.40 1.44 1.01 -1.26 -4.88 121.20 124.01 2kga s ILE 60 Ca 0.01 -0.84 -0.27 0.00 0.00 0.00 0.00 60.65 59.56 2kga s ILE 60 Cb -0.15 -3.30 -0.09 0.00 0.01 0.00 0.00 42.46 38.92 2kga s ILE 60 CO -0.07 -0.11 1.39 -2.84 0.00 0.00 0.00 174.94 173.31 2kga s PRO 61 N 1.51 3.96 0.18 2.79 0.02 -1.26 -4.87 135.00 137.33 2kga s PRO 61 Ca 0.01 2.35 -0.13 0.00 0.02 0.00 0.00 61.00 63.25 2kga s PRO 61 Cb -0.19 -2.82 0.16 0.00 0.02 0.00 0.00 34.50 31.68 2kga s PRO 61 CO 0.05 -0.57 1.73 -0.44 -0.33 0.00 0.00 177.00 177.44 2kga h ASP 62 N 2.74 0.06 1.17 2.53 5.19 -1.99 -1.04 116.42 125.08 2kga h ASP 62 Ca -0.50 0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 55.95 2kga h ASP 62 Cb 1.25 0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.84 2kga h ASP 62 CO 0.63 0.07 -0.16 -2.24 -3.12 0.00 0.00 179.24 174.42 2kga h ASP 63 N 0.27 0.00 -0.00 6.45 3.04 -1.98 -2.86 116.42 121.33 2kga h ASP 63 Ca 0.23 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.82 2kga h ASP 63 Cb 0.28 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.59 2kga h ASP 63 CO -0.28 0.16 -0.78 0.58 -2.04 0.00 0.00 179.24 176.88 2kga h VAL 64 N 0.00 1.36 0.00 4.15 2.07 -1.62 -2.35 116.25 119.86 2kga h VAL 64 Ca -0.00 -2.14 -0.00 0.00 0.82 0.00 0.00 66.70 65.37 2kga h VAL 64 Cb 0.79 2.50 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 2kga h VAL 64 CO 0.02 0.64 -0.01 0.00 0.02 0.00 0.00 177.57 178.24 2kga h ALA 65 N 0.36 1.63 -0.02 1.67 0.00 -1.02 -0.84 119.26 121.04 2kga h ALA 65 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kga h ALA 65 Cb 1.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2kga h ALA 65 CO 0.15 0.02 -0.28 0.41 0.00 0.00 0.00 179.25 179.55 2kga n GLY 66 N -1.33 0.17 0.01 0.00 0.00 -1.13 -4.10 105.19 98.81 2kga n GLY 66 Ca -0.03 -0.60 0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 0.24 0.50 -2.75 1.61 1.85 -0.37 -4.84 116.66 112.90 2kga n ARG 67 Ca 0.12 -0.11 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 2kga n ARG 67 Cb 0.47 -1.48 -0.04 0.00 -1.05 0.00 0.00 32.46 30.37 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 -3.22 4.21 -0.40 8.89 -7.23 -0.91 -4.81 120.40 116.92 2kga s VAL 68 Ca -0.01 0.31 0.23 0.00 -1.81 0.00 0.00 61.98 60.70 2kga s VAL 68 Cb 0.14 -4.66 -0.03 0.00 0.56 0.00 0.00 36.38 32.39 2kga s VAL 68 CO 0.85 -1.32 1.07 -0.90 -0.31 0.00 0.00 175.10 174.49 2kga n ASP 69 N 7.97 0.71 -4.18 4.85 5.75 -1.26 -4.87 116.55 125.51 2kga n ASP 69 Ca 0.02 0.14 -0.23 0.00 -0.01 0.00 0.00 54.79 54.71 2kga n ASP 69 Cb 0.48 0.55 -0.14 0.00 -1.03 0.00 0.00 41.12 40.97 2kga n ASP 69 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2kga s THR 70 N -3.29 1.36 0.63 2.12 -4.23 -1.26 -0.16 115.64 110.80 2kga s THR 70 Ca 0.02 -0.97 0.35 0.00 -1.18 0.00 0.00 61.69 59.91 2kga s THR 70 Cb 0.12 -1.18 0.38 0.00 1.34 0.00 0.00 72.50 73.16 2kga s THR 70 CO 0.78 0.19 2.18 -0.65 -0.54 0.00 0.00 174.62 176.59 2kga h PRO 71 N 5.18 0.00 -0.24 3.99 0.11 -1.71 -2.58 132.00 136.75 2kga h PRO 71 Ca -0.39 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.78 2kga h PRO 71 Cb 1.16 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 2kga h PRO 71 CO 0.45 0.00 -0.34 -0.09 -0.21 0.00 0.00 178.00 177.81 2kga h ARG 72 N 0.00 -0.34 -0.25 1.05 2.43 -1.85 0.50 114.38 115.91 2kga h ARG 72 Ca 0.03 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 2kga h ARG 72 Cb 0.29 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2kga h ARG 72 CO -0.00 -0.23 -0.26 0.93 -1.51 0.00 0.00 179.97 178.90 2kga h GLU 73 N -0.36 0.49 -0.12 0.20 5.08 -1.80 -1.40 114.58 116.67 2kga h GLU 73 Ca 0.12 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2kga h GLU 73 Cb 0.55 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2kga h GLU 73 CO -0.43 0.71 -0.02 1.25 -1.00 0.00 0.00 179.01 179.52 2kga h LEU 74 N 0.43 0.23 -0.66 1.33 7.12 -1.40 -1.00 115.31 121.37 2kga h LEU 74 Ca 0.06 -0.35 0.07 0.00 0.13 0.00 0.00 57.88 57.80 2kga h LEU 74 Cb 0.68 -0.06 -0.06 0.00 -0.53 0.00 0.00 40.66 40.69 2kga h LEU 74 CO 0.05 0.53 0.34 0.25 -0.13 0.00 0.00 178.44 179.48 2kga h LEU 75 N -0.07 0.46 -0.30 2.25 5.85 0.12 -0.11 115.31 123.51 2kga h LEU 75 Ca 0.03 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2kga h LEU 75 Cb 0.42 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2kga h LEU 75 CO 0.01 0.29 0.11 -0.78 -0.34 0.00 0.00 178.44 177.72 2kga h ASP 76 N 0.60 0.12 -0.77 1.25 3.58 -1.10 -0.54 116.42 119.56 2kga h ASP 76 Ca 0.31 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.75 2kga h ASP 76 Cb 0.27 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 2kga h ASP 76 CO -0.23 0.10 0.32 0.25 -2.88 0.00 0.00 179.24 176.80 2kga h LEU 77 N 0.24 1.06 0.04 2.28 7.12 -0.16 -1.41 115.31 124.48 2kga h LEU 77 Ca 0.13 -0.16 -0.00 0.00 0.13 0.00 0.00 57.88 57.98 2kga h LEU 77 Cb 0.10 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 39.95 2kga h LEU 77 CO -0.14 0.94 -0.02 0.40 -0.13 0.00 0.00 178.44 179.50 2kga h ILE 78 N 1.13 1.11 -0.21 4.05 1.08 -0.72 -1.29 117.51 122.65 2kga h ILE 78 Ca 0.26 -0.47 -0.02 0.00 -0.39 0.00 0.00 64.86 64.24 2kga h ILE 78 Cb 0.20 1.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.36 2kga h ILE 78 CO -0.02 0.12 0.03 0.78 -0.69 0.00 0.00 178.15 178.37 2kga h ASN 79 N -0.26 0.28 0.12 1.72 2.35 -0.79 0.15 115.58 119.15 2kga h ASN 79 Ca -0.01 -0.03 -0.20 0.00 -0.55 0.00 0.00 56.30 55.52 2kga h ASN 79 Cb 0.24 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2kga h ASN 79 CO 0.01 0.31 -0.75 1.23 -1.65 0.00 0.00 177.43 176.58 2kga h GLY 80 N 0.54 0.59 2.00 2.83 0.00 -1.14 -3.12 103.07 104.78 2kga h GLY 80 Ca 0.07 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 2kga h GLY 80 CO -0.00 0.75 -0.06 0.00 0.00 0.00 0.00 176.54 177.23 2kga h ALA 81 N 0.81 0.99 0.00 3.60 0.00 -0.15 -2.99 119.26 121.51 2kga h ALA 81 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kga h ALA 81 Cb 1.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2kga h ALA 81 CO 0.14 0.07 0.00 -0.07 0.00 0.00 0.00 179.25 179.39 2kga h LEU 82 N 0.00 0.00 -1.81 0.00 3.38 -0.68 -1.44 115.31 114.76 2kga h LEU 82 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2kga h LEU 82 Cb 0.75 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 2kga h LEU 82 CO 0.01 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 178.39 2kga h ALA 83 N 2.03 1.46 -0.54 1.53 0.00 -1.66 -1.49 119.26 120.59 2kga h ALA 83 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kga h ALA 83 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2kga h ALA 83 CO 0.00 0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.83 2kga n GLU 84 N -3.94 2.53 -3.70 0.00 4.71 -0.54 -4.94 120.64 114.77 2kga n GLU 84 Ca -0.02 -2.35 -0.34 0.00 -0.01 0.00 0.00 57.16 54.44 2kga n GLU 84 Cb 0.24 -1.52 -0.05 0.00 -1.01 0.00 0.00 31.44 29.09 2kga n GLU 84 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kga s ALA 85 N -1.28 3.81 0.00 0.62 0.00 -0.56 -4.98 121.76 119.36 2kga s ALA 85 Ca 0.43 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2kga s ALA 85 Cb 0.23 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.23 2kga s ALA 85 CO 0.32 0.64 0.46 0.00 0.00 0.00 0.00 175.76 177.18