#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5r n ASP 2 N 0.00 5.36 0.28 7.83 5.75 -1.26 -4.65 116.55 129.85 2k5r n ASP 2 Ca 0.00 -2.35 0.17 0.00 -0.01 0.00 0.00 54.79 52.60 2k5r n ASP 2 Cb 0.00 -1.22 0.92 0.00 -1.03 0.00 0.00 41.12 39.79 2k5r n ASP 2 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2k5r h ARG 3 N 4.42 0.00 0.00 0.11 0.11 -2.09 0.28 114.38 117.20 2k5r h ARG 3 Ca 0.38 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.40 2k5r h ARG 3 Cb 0.81 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.88 2k5r h ARG 3 CO 0.84 0.00 -1.14 0.36 0.10 0.00 0.00 179.97 180.13 2k5r n LYS 4 N -2.74 0.61 0.00 0.08 2.85 -1.26 -4.60 118.16 113.10 2k5r n LYS 4 Ca -0.02 0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 2k5r n LYS 4 Cb 0.13 -1.82 0.00 0.00 -0.65 0.00 0.00 35.03 32.69 2k5r n LYS 4 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k5r n LEU 5 N -2.74 0.28 -1.59 -5.58 7.99 0.88 -4.96 117.00 111.29 2k5r n LEU 5 Ca -0.03 0.19 -0.17 0.00 -0.01 0.00 0.00 56.01 55.99 2k5r n LEU 5 Cb 0.64 -0.40 -0.06 0.00 -0.11 0.00 0.00 43.42 43.49 2k5r n LEU 5 CO 0.41 -0.40 -0.16 0.18 -1.51 0.00 0.00 177.39 175.91 2k5r n LEU 6 N -2.02 -1.24 0.00 2.23 4.77 -0.55 -4.82 117.00 115.37 2k5r n LEU 6 Ca 0.00 0.37 0.11 0.00 -0.03 0.00 0.00 56.01 56.46 2k5r n LEU 6 Cb 0.00 -2.39 0.61 0.00 -2.33 0.00 0.00 43.42 39.31 2k5r n LEU 6 CO 0.00 -0.78 0.87 1.41 -1.33 0.00 0.00 177.39 177.55 2k5r n HIS 7 N -2.28 0.00 0.32 -1.77 8.25 -1.26 -2.23 115.22 116.24 2k5r n HIS 7 Ca -0.17 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.45 2k5r n HIS 7 Cb 0.56 -0.18 0.67 0.00 1.12 0.00 0.00 29.99 32.16 2k5r n HIS 7 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2k5r h LEU 8 N 0.00 0.00 -8.62 2.41 3.38 -1.98 -3.40 115.31 107.10 2k5r h LEU 8 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 2k5r h LEU 8 Cb 0.13 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.73 2k5r h LEU 8 CO 0.00 0.00 0.16 -0.22 0.09 0.00 0.00 178.44 178.47 2k5r s LEU 9 N -5.56 4.44 0.14 1.67 0.20 -0.95 -5.05 118.68 113.57 2k5r s LEU 9 Ca 0.01 -0.25 0.06 0.00 0.69 0.00 0.00 54.13 54.64 2k5r s LEU 9 Cb 0.09 -2.77 -0.04 0.00 -0.43 0.00 0.00 46.19 43.04 2k5r s LEU 9 CO 0.47 -0.78 -0.14 0.00 -0.29 0.00 0.00 176.35 175.61 2k5r s SER 11 N -2.68 3.77 0.28 0.00 0.01 -1.26 -4.98 113.70 108.83 2k5r s SER 11 Ca 0.12 1.28 -0.29 0.00 1.31 0.00 0.00 55.95 58.36 2k5r s SER 11 Cb -0.03 -1.96 -0.13 0.00 0.21 0.00 0.00 66.02 64.11 2k5r s SER 11 CO 0.03 -2.43 1.23 -2.65 0.41 0.00 0.00 173.24 169.84 2k5r n PRO 12 N -3.72 1.79 -0.21 12.44 -0.02 -1.26 -4.90 135.00 139.12 2k5r n PRO 12 Ca 0.07 0.63 0.01 0.00 -2.02 0.00 0.00 63.50 62.19 2k5r n PRO 12 Cb 0.57 -2.17 0.10 0.00 -0.02 0.00 0.00 33.50 31.98 2k5r n PRO 12 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2k5r h ASP 13 N 2.92 -0.34 -0.58 2.55 2.03 -2.06 -0.83 116.42 120.10 2k5r h ASP 13 Ca -0.44 0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 2k5r h ASP 13 Cb 1.30 0.30 0.00 0.00 -0.83 0.00 0.00 39.33 40.11 2k5r h ASP 13 CO 0.66 -0.14 0.00 1.07 -1.03 0.00 0.00 179.24 179.80 2k5r n THR 14 N -5.32 1.13 -3.85 1.15 5.66 -1.26 -4.84 114.28 106.95 2k5r n THR 14 Ca 0.09 -0.89 -0.29 0.00 -3.05 0.00 0.00 64.05 59.92 2k5r n THR 14 Cb 0.37 0.25 -0.16 0.00 -1.55 0.00 0.00 70.33 69.24 2k5r n THR 14 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2k5r s ARG 15 N -1.45 1.22 -0.01 1.09 3.52 -0.32 -5.11 118.95 117.89 2k5r s ARG 15 Ca 0.42 -0.71 0.01 0.00 -0.13 0.00 0.00 55.73 55.32 2k5r s ARG 15 Cb 0.24 -2.33 0.00 0.00 -1.56 0.00 0.00 34.95 31.30 2k5r s ARG 15 CO 0.25 -0.60 -0.05 -0.65 -0.81 0.00 0.00 175.30 173.44 2k5r s GLN 16 N 1.60 0.46 -0.12 5.12 -0.21 -1.26 -4.08 119.66 121.17 2k5r s GLN 16 Ca -0.03 -0.15 -0.38 0.00 0.02 0.00 0.00 55.36 54.82 2k5r s GLN 16 Cb -0.18 -0.46 -0.15 0.00 1.00 0.00 0.00 33.01 33.22 2k5r s GLN 16 CO -0.07 0.07 1.67 -0.35 -2.12 0.00 0.00 175.29 174.49 2k5r n PRO 17 N 3.18 1.45 -5.13 2.91 -0.04 -1.26 -4.86 135.00 131.26 2k5r n PRO 17 Ca -0.16 0.53 -0.32 0.00 -0.04 0.00 0.00 63.50 63.52 2k5r n PRO 17 Cb 0.57 -2.25 -0.16 0.00 -0.04 0.00 0.00 33.50 31.62 2k5r n PRO 17 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2k5r s LEU 18 N 2.74 2.28 0.30 1.53 1.98 -1.26 -0.25 118.68 126.00 2k5r s LEU 18 Ca 0.92 -0.43 0.03 0.00 -2.89 0.00 0.00 54.13 51.76 2k5r s LEU 18 Cb -0.93 -1.44 -0.03 0.00 0.66 0.00 0.00 46.19 44.45 2k5r s LEU 18 CO 0.56 0.25 0.29 -0.94 -1.89 0.00 0.00 176.35 174.62 2k5r s SER 19 N -0.20 1.12 0.25 3.68 1.04 -0.73 -4.98 113.70 113.88 2k5r s SER 19 Ca -0.02 -1.59 -0.30 0.00 0.48 0.00 0.00 55.95 54.52 2k5r s SER 19 Cb -0.13 0.54 -0.09 0.00 0.10 0.00 0.00 66.02 66.43 2k5r s SER 19 CO 0.03 -1.06 1.30 -0.22 0.98 0.00 0.00 173.24 174.27 2k5r s LEU 20 N -3.29 4.43 0.15 2.42 1.98 -1.26 0.07 118.68 123.18 2k5r s LEU 20 Ca 0.38 2.50 -0.31 0.00 -2.89 0.00 0.00 54.13 53.81 2k5r s LEU 20 Cb 0.03 -3.62 -0.08 0.00 0.66 0.00 0.00 46.19 43.17 2k5r s LEU 20 CO 0.22 -0.50 1.40 -0.22 -1.89 0.00 0.00 176.35 175.36 2k5r s LEU 21 N -0.79 4.38 0.33 -0.68 2.96 -0.37 -4.41 118.68 120.10 2k5r s LEU 21 Ca 0.53 2.40 -0.29 0.00 -0.22 0.00 0.00 54.13 56.55 2k5r s LEU 21 Cb -0.37 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 42.61 2k5r s LEU 21 CO 0.43 -0.65 1.51 1.21 -1.32 0.00 0.00 176.35 177.53 2k5r n GLU 22 N 3.58 2.60 -0.22 1.98 4.07 -1.26 -4.80 120.64 126.60 2k5r n GLU 22 Ca 0.10 0.92 0.02 0.00 -0.06 0.00 0.00 57.16 58.14 2k5r n GLU 22 Cb 0.42 -2.65 0.13 0.00 -0.06 0.00 0.00 31.44 29.28 2k5r n GLU 22 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2k5r h SER 23 N 3.75 0.19 -0.45 4.31 4.64 -2.00 0.71 113.55 124.70 2k5r h SER 23 Ca -0.48 0.10 0.04 0.00 -0.47 0.00 0.00 61.79 60.97 2k5r h SER 23 Cb 1.24 0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 2k5r h SER 23 CO 0.71 0.09 0.30 0.11 -0.87 0.00 0.00 176.83 177.17 2k5r h LYS 24 N 0.38 0.46 -0.02 4.77 1.79 -2.03 -2.08 116.57 119.84 2k5r h LYS 24 Ca 0.34 -0.03 -0.26 0.00 -2.18 0.00 0.00 60.65 58.53 2k5r h LYS 24 Cb 0.48 -0.10 0.02 0.00 -1.58 0.00 0.00 32.23 31.04 2k5r h LYS 24 CO -0.36 0.30 -1.00 0.78 -1.08 0.00 0.00 179.45 178.09 2k5r h GLY 25 N 0.47 0.76 0.34 3.86 0.00 -1.32 -3.36 103.07 103.82 2k5r h GLY 25 Ca 0.19 -1.30 0.13 0.00 0.00 0.00 0.00 47.33 46.34 2k5r h GLY 25 CO -0.05 1.15 0.46 -2.00 0.00 0.00 0.00 176.54 176.11 2k5r h LEU 26 N 0.40 0.60 -1.12 3.11 5.85 -0.27 0.13 115.31 124.00 2k5r h LEU 26 Ca -0.12 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2k5r h LEU 26 Cb 1.65 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.61 2k5r h LEU 26 CO 0.20 0.29 0.45 1.05 -0.34 0.00 0.00 178.44 180.09 2k5r h GLU 27 N 0.70 1.06 -0.90 1.25 4.11 -1.68 -2.39 114.58 116.73 2k5r h GLU 27 Ca 0.44 -0.10 -0.00 0.00 0.07 0.00 0.00 59.36 59.77 2k5r h GLU 27 Cb 0.55 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2k5r h GLU 27 CO -0.32 0.75 0.55 0.00 0.07 0.00 0.00 179.01 180.06 2k5r h ALA 28 N 1.43 1.28 0.28 1.06 0.00 -1.12 0.16 119.26 122.35 2k5r h ALA 28 Ca 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2k5r h ALA 28 Cb -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.41 2k5r h ALA 28 CO -0.05 0.63 -0.14 -0.07 0.00 0.00 0.00 179.25 179.62 2k5r h LEU 29 N 1.24 -0.32 -0.58 0.00 -0.00 -1.23 -2.29 115.31 112.12 2k5r h LEU 29 Ca 0.32 -0.06 0.06 0.00 -0.00 0.00 0.00 57.88 58.20 2k5r h LEU 29 Cb -0.07 0.08 -0.05 0.00 -0.00 0.00 0.00 40.66 40.62 2k5r h LEU 29 CO -0.06 -0.15 0.30 0.78 -0.00 0.00 0.00 178.44 179.31 2k5r h ASN 30 N -0.48 0.43 -0.74 -0.43 2.35 -1.01 -0.26 115.58 115.43 2k5r h ASN 30 Ca -0.04 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 2k5r h ASN 30 Cb 0.36 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.63 2k5r h ASN 30 CO 0.06 0.28 0.44 0.11 -1.65 0.00 0.00 177.43 176.67 2k5r h LYS 31 N 0.57 0.77 -0.26 0.81 1.57 -0.95 -0.10 116.57 118.97 2k5r h LYS 31 Ca 0.26 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.91 2k5r h LYS 31 Cb 0.18 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2k5r h LYS 31 CO -0.18 0.51 -0.20 0.00 -0.57 0.00 0.00 179.45 179.00 2k5r h ALA 32 N 1.37 1.16 -0.33 3.86 0.00 -0.75 -1.86 119.26 122.72 2k5r h ALA 32 Ca 0.33 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2k5r h ALA 32 Cb 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k5r h ALA 32 CO -0.18 0.53 0.06 0.82 0.00 0.00 0.00 179.25 180.48 2k5r h ILE 33 N 0.43 1.23 -0.88 0.00 2.04 -0.03 0.08 117.51 120.38 2k5r h ILE 33 Ca 0.07 -0.81 0.04 0.00 1.00 0.00 0.00 64.86 65.16 2k5r h ILE 33 Cb 0.60 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 2k5r h ILE 33 CO 0.04 0.27 0.58 0.58 0.00 0.00 0.00 178.15 179.62 2k5r h VAL 34 N 0.37 1.14 0.00 1.67 2.07 -0.88 -0.52 116.25 120.10 2k5r h VAL 34 Ca 0.10 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 2k5r h VAL 34 Cb 0.34 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2k5r h VAL 34 CO 0.01 0.20 -0.37 -1.28 0.02 0.00 0.00 177.57 176.15 2k5r h SER 35 N 1.10 0.00 -0.78 0.57 0.87 -1.02 -3.48 113.55 110.82 2k5r h SER 35 Ca 0.35 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.89 2k5r h SER 35 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2k5r h SER 35 CO -0.11 0.37 -0.03 0.61 -0.53 0.00 0.00 176.83 177.14 2k5r n GLY 36 N -0.47 0.65 0.32 5.77 0.00 -0.02 -4.98 105.19 106.47 2k5r n GLY 36 Ca -0.02 -0.72 0.06 0.00 0.00 0.00 0.00 46.02 45.34 2k5r n GLY 36 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k5r n THR 37 N -3.20 0.00 -2.28 2.61 5.66 -0.99 -4.96 114.28 111.13 2k5r n THR 37 Ca -0.00 -0.40 -0.40 0.00 -3.05 0.00 0.00 64.05 60.20 2k5r n THR 37 Cb 0.51 1.17 -0.03 0.00 -1.55 0.00 0.00 70.33 70.42 2k5r n THR 37 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2k5r s VAL 38 N -1.43 3.54 -0.12 1.08 1.01 -1.26 -4.84 120.40 118.38 2k5r s VAL 38 Ca 0.11 0.32 -0.23 0.00 0.00 0.00 0.00 61.98 62.18 2k5r s VAL 38 Cb 0.10 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 2k5r s VAL 38 CO 0.27 -1.33 0.72 -1.10 0.00 0.00 0.00 175.10 173.66 2k5r s GLN 39 N 6.38 4.35 0.65 2.72 -0.21 -1.26 -1.26 119.66 131.03 2k5r s GLN 39 Ca 0.53 0.86 -0.12 0.00 0.02 0.00 0.00 55.36 56.65 2k5r s GLN 39 Cb -0.11 -3.51 -0.02 0.00 1.00 0.00 0.00 33.01 30.38 2k5r s GLN 39 CO 0.19 -0.10 1.05 0.50 -2.12 0.00 0.00 175.29 174.80 2k5r s ARG 40 N 1.39 3.19 0.25 2.91 3.52 0.58 -4.29 118.95 126.50 2k5r s ARG 40 Ca 0.36 0.98 -0.04 0.00 -0.13 0.00 0.00 55.73 56.90 2k5r s ARG 40 Cb -0.17 -2.02 0.48 0.00 -1.56 0.00 0.00 34.95 31.68 2k5r s ARG 40 CO 0.15 -0.90 1.72 0.00 -0.81 0.00 0.00 175.30 175.46 2k5r h ALA 41 N -0.29 1.06 -0.35 6.12 0.00 -0.85 0.23 119.26 125.18 2k5r h ALA 41 Ca -0.45 0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.66 2k5r h ALA 41 Cb 1.21 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 2k5r h ALA 41 CO 0.58 -0.25 -0.08 0.22 0.00 0.00 0.00 179.25 179.72 2k5r h ASP 42 N 0.40 -0.31 0.00 0.00 3.58 -1.45 -3.48 116.42 115.17 2k5r h ASP 42 Ca 0.43 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.98 2k5r h ASP 42 Cb 0.68 0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.94 2k5r h ASP 42 CO -0.44 -0.11 0.00 0.61 -2.88 0.00 0.00 179.24 176.43 2k5r n GLY 43 N -1.28 2.47 3.59 -0.78 0.00 0.79 -5.14 105.19 104.85 2k5r n GLY 43 Ca 0.01 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 2k5r n GLY 43 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k5r n SER 44 N 0.00 -0.00 -4.83 1.61 2.88 -1.26 -4.10 113.62 107.92 2k5r n SER 44 Ca 0.00 0.56 -0.37 0.00 -1.33 0.00 0.00 58.87 57.72 2k5r n SER 44 Cb 0.00 -1.39 -0.06 0.00 -0.75 0.00 0.00 64.21 62.01 2k5r n SER 44 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2k5r s ILE 45 N -2.09 4.87 -0.50 2.46 -1.09 -1.26 -0.31 121.20 123.28 2k5r s ILE 45 Ca 0.69 0.97 -0.16 0.00 -2.23 0.00 0.00 60.65 59.92 2k5r s ILE 45 Cb -0.30 -3.79 0.09 0.00 -1.58 0.00 0.00 42.46 36.88 2k5r s ILE 45 CO 0.55 0.46 0.46 -1.58 -1.23 0.00 0.00 174.94 173.60 2k5r s GLN 46 N -1.38 3.00 -0.00 2.79 0.74 -0.39 -4.87 119.66 119.56 2k5r s GLN 46 Ca 0.30 -1.39 0.22 0.00 0.05 0.00 0.00 55.36 54.54 2k5r s GLN 46 Cb -0.17 -4.18 -0.29 0.00 1.10 0.00 0.00 33.01 29.47 2k5r s GLN 46 CO 0.17 -1.14 0.58 0.09 -0.55 0.00 0.00 175.29 174.44 2k5r n ASN 47 N 5.36 0.17 -4.59 6.67 4.13 -1.26 -4.61 115.26 121.13 2k5r n ASN 47 Ca -0.12 -0.05 -0.42 0.00 1.68 0.00 0.00 54.58 55.67 2k5r n ASN 47 Cb 0.43 1.75 -0.05 0.00 -1.54 0.00 0.00 39.78 40.37 2k5r n ASN 47 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2k5r s GLN 48 N -3.46 3.76 0.15 3.52 -0.21 -1.26 -4.83 119.66 117.33 2k5r s GLN 48 Ca -0.06 0.35 -0.30 0.00 0.02 0.00 0.00 55.36 55.37 2k5r s GLN 48 Cb 0.14 -3.81 -0.07 0.00 1.00 0.00 0.00 33.01 30.27 2k5r s GLN 48 CO 0.89 -0.87 1.05 -1.54 -2.12 0.00 0.00 175.29 172.70 2k5r s SER 49 N 1.85 7.35 0.17 5.90 1.04 -1.26 -5.05 113.70 123.71 2k5r s SER 49 Ca 0.33 1.98 -0.06 0.00 0.48 0.00 0.00 55.95 58.67 2k5r s SER 49 Cb -0.13 -2.60 -0.06 0.00 0.10 0.00 0.00 66.02 63.33 2k5r s SER 49 CO 0.17 -0.17 0.44 -1.48 0.98 0.00 0.00 173.24 173.18 2k5r s LEU 50 N -0.19 4.23 0.04 2.42 0.05 -1.26 -5.01 118.68 118.96 2k5r s LEU 50 Ca 0.49 0.70 0.23 0.00 0.05 0.00 0.00 54.13 55.60 2k5r s LEU 50 Cb -0.27 -3.44 0.18 0.00 -2.05 0.00 0.00 46.19 40.62 2k5r s LEU 50 CO 0.33 0.01 1.16 1.41 -0.55 0.00 0.00 176.35 178.71 2k5r n HIS 51 N 0.02 0.19 -3.68 3.48 8.25 -1.26 -4.93 115.22 117.29 2k5r n HIS 51 Ca -0.01 0.06 -0.14 0.00 -0.26 0.00 0.00 57.72 57.36 2k5r n HIS 51 Cb 0.52 -0.36 -0.08 0.00 1.12 0.00 0.00 29.99 31.19 2k5r n HIS 51 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2k5r s GLU 52 N -3.11 0.68 0.33 -0.41 2.12 -1.26 -5.13 118.70 111.92 2k5r s GLU 52 Ca 0.07 0.52 -0.07 0.00 0.36 0.00 0.00 54.97 55.84 2k5r s GLU 52 Cb 0.15 0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.88 2k5r s GLU 52 CO 0.77 -0.13 0.53 0.00 -0.54 0.00 0.00 175.26 175.90 2k5r s ALA 53 N -0.17 0.27 0.05 6.30 0.00 -1.26 -2.45 121.76 124.50 2k5r s ALA 53 Ca -0.04 -1.24 0.07 0.00 0.00 0.00 0.00 51.96 50.76 2k5r s ALA 53 Cb -0.03 1.05 -0.03 0.00 0.00 0.00 0.00 23.12 24.11 2k5r s ALA 53 CO 0.03 -0.84 -0.21 -0.51 0.00 0.00 0.00 175.76 174.23 2k5r s LEU 54 N -3.16 2.18 -0.09 0.00 1.43 0.74 -1.23 118.68 118.55 2k5r s LEU 54 Ca 0.26 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 2k5r s LEU 54 Cb -0.01 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 45.25 2k5r s LEU 54 CO 0.16 0.15 -0.23 -0.51 0.23 0.00 0.00 176.35 176.15 2k5r s ILE 55 N -0.84 1.95 0.49 -0.59 1.10 0.11 -0.75 121.20 122.68 2k5r s ILE 55 Ca 0.07 -0.96 -0.23 0.00 -0.51 0.00 0.00 60.65 59.02 2k5r s ILE 55 Cb -0.09 -1.69 -0.06 0.00 0.15 0.00 0.00 42.46 40.77 2k5r s ILE 55 CO 0.02 0.54 1.31 0.42 -2.11 0.00 0.00 174.94 175.12 2k5r s THR 56 N 0.36 2.40 0.36 4.00 -4.23 -0.92 -1.77 115.64 115.85 2k5r s THR 56 Ca -0.18 0.32 0.05 0.00 -1.18 0.00 0.00 61.69 60.70 2k5r s THR 56 Cb -0.18 -3.17 0.19 0.00 1.34 0.00 0.00 72.50 70.69 2k5r s THR 56 CO 0.08 0.01 1.94 -0.09 -0.54 0.00 0.00 174.62 176.02 2k5r h ARG 57 N 1.87 0.52 0.00 3.99 9.65 -0.95 0.24 114.38 129.70 2k5r h ARG 57 Ca -0.50 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.30 2k5r h ARG 57 Cb 1.28 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 2k5r h ARG 57 CO 0.59 0.48 0.00 -0.25 2.80 0.00 0.00 179.97 183.59 2k5r n ASP 58 N -4.34 0.00 -3.84 -3.80 8.00 -1.26 -4.90 116.55 106.41 2k5r n ASP 58 Ca 0.02 0.41 -0.26 0.00 0.71 0.00 0.00 54.79 55.67 2k5r n ASP 58 Cb 0.18 -0.46 0.02 0.00 -0.02 0.00 0.00 41.12 40.85 2k5r n ASP 58 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k5r n ARG 59 N -1.46 -5.04 -0.05 -1.24 1.74 0.86 -4.89 116.66 106.59 2k5r n ARG 59 Ca 0.05 0.59 -0.05 0.00 -0.77 0.00 0.00 57.85 57.66 2k5r n ARG 59 Cb 0.18 -5.27 -0.07 0.00 -1.02 0.00 0.00 32.46 26.28 2k5r n ARG 59 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2k5r n LYS 60 N -4.48 2.01 -4.18 5.56 5.02 -1.26 -4.91 118.16 115.91 2k5r n LYS 60 Ca -0.13 0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.04 2k5r n LYS 60 Cb 0.60 -1.24 -0.10 0.00 -0.02 0.00 0.00 35.03 34.27 2k5r n LYS 60 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2k5r s GLN 61 N -2.23 0.87 0.05 1.97 -0.21 -1.26 -1.27 119.66 117.57 2k5r s GLN 61 Ca -0.07 -1.25 0.06 0.00 0.02 0.00 0.00 55.36 54.12 2k5r s GLN 61 Cb 0.03 -0.42 -0.02 0.00 1.00 0.00 0.00 33.01 33.59 2k5r s GLN 61 CO 0.36 0.04 -0.18 0.08 -2.12 0.00 0.00 175.29 173.47 2k5r s VAL 62 N -2.96 1.45 0.35 1.09 1.01 0.71 -2.16 120.40 119.90 2k5r s VAL 62 Ca 0.09 -1.16 0.09 0.00 0.00 0.00 0.00 61.98 61.00 2k5r s VAL 62 Cb 0.01 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 35.04 2k5r s VAL 62 CO -0.01 0.10 -0.03 -0.36 0.00 0.00 0.00 175.10 174.79 2k5r s PHE 63 N -0.86 2.48 0.16 5.22 0.40 0.07 0.01 117.98 125.46 2k5r s PHE 63 Ca 0.05 -0.49 0.04 0.00 -0.60 0.00 0.00 56.93 55.93 2k5r s PHE 63 Cb -0.09 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 2k5r s PHE 63 CO 0.02 0.51 0.20 0.50 0.70 0.00 0.00 175.22 177.16 2k5r s ARG 64 N -3.67 3.14 -0.07 0.44 3.52 -1.25 -0.18 118.95 120.87 2k5r s ARG 64 Ca 0.34 -0.76 0.05 0.00 -0.13 0.00 0.00 55.73 55.23 2k5r s ARG 64 Cb 0.02 -2.78 -0.01 0.00 -1.56 0.00 0.00 34.95 30.62 2k5r s ARG 64 CO 0.18 0.49 -0.24 0.42 -0.81 0.00 0.00 175.30 175.35 2k5r s ILE 65 N -1.77 1.97 0.05 4.11 1.01 -1.02 -0.68 121.20 124.87 2k5r s ILE 65 Ca 0.33 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 59.79 2k5r s ILE 65 Cb -0.10 -1.68 0.04 0.00 0.01 0.00 0.00 42.46 40.72 2k5r s ILE 65 CO 0.26 0.55 0.42 -1.83 0.00 0.00 0.00 174.94 174.33 2k5r s GLU 66 N 0.03 0.93 -1.68 2.79 -1.05 -0.92 -4.68 118.70 114.12 2k5r s GLU 66 Ca -0.08 -0.36 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 2k5r s GLU 66 Cb -0.15 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 2k5r s GLU 66 CO 0.05 -0.32 0.00 -3.47 0.95 0.00 0.00 175.26 172.47 2k5r n ASP 67 N 0.49 -5.35 0.00 0.83 2.03 -1.26 -0.73 116.55 112.57 2k5r n ASP 67 Ca -0.18 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.24 2k5r n ASP 67 Cb 0.60 -4.52 0.00 0.00 -0.72 0.00 0.00 41.12 36.48 2k5r n ASP 67 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2k5r n SER 68 N -1.82 -2.92 -4.50 1.67 2.88 -1.26 -4.98 113.62 102.69 2k5r n SER 68 Ca -0.22 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 56.98 2k5r n SER 68 Cb 0.66 -1.98 -0.12 0.00 -0.75 0.00 0.00 64.21 62.02 2k5r n SER 68 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2k5r s ILE 69 N -1.72 4.12 -0.29 2.46 -1.09 0.09 -5.06 121.20 119.71 2k5r s ILE 69 Ca 0.00 -0.26 -0.28 0.00 -2.23 0.00 0.00 60.65 57.88 2k5r s ILE 69 Cb 0.00 -2.85 -0.04 0.00 -1.58 0.00 0.00 42.46 37.99 2k5r s ILE 69 CO 0.00 0.44 2.02 -2.84 -1.23 0.00 0.00 174.94 173.34 2k5r s PRO 70 N 0.75 3.17 -0.62 2.79 0.02 -1.26 -2.18 135.00 137.67 2k5r s PRO 70 Ca 0.01 1.69 -0.27 0.00 0.02 0.00 0.00 61.00 62.44 2k5r s PRO 70 Cb -0.14 -4.30 0.03 0.00 0.02 0.00 0.00 34.50 30.11 2k5r s PRO 70 CO 0.02 -2.06 1.18 0.08 -0.33 0.00 0.00 177.00 175.89 2k5r s VAL 71 N 7.84 4.00 -0.97 3.83 1.01 0.15 -4.93 120.40 131.33 2k5r s VAL 71 Ca 0.90 0.66 -0.01 0.00 0.00 0.00 0.00 61.98 63.53 2k5r s VAL 71 Cb -0.27 -4.75 0.31 0.00 0.00 0.00 0.00 36.38 31.67 2k5r s VAL 71 CO 0.34 -1.45 1.48 0.18 0.00 0.00 0.00 175.10 175.65 2k5r n LEU 72 N 8.53 6.30 -4.26 3.92 4.77 -1.26 -3.86 117.00 131.15 2k5r n LEU 72 Ca 0.06 -5.35 -0.33 0.00 -0.03 0.00 0.00 56.01 50.36 2k5r n LEU 72 Cb 0.49 -1.10 -0.15 0.00 -2.33 0.00 0.00 43.42 40.32 2k5r n LEU 72 CO 0.70 1.92 -0.47 -0.76 -1.33 0.00 0.00 177.39 177.46 2k5r s LEU 73 N -3.38 2.51 0.00 2.23 1.43 -1.26 -4.99 118.68 115.22 2k5r s LEU 73 Ca 0.36 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 2k5r s LEU 73 Cb 0.13 -1.58 0.12 0.00 0.03 0.00 0.00 46.19 44.89 2k5r s LEU 73 CO -0.01 0.06 0.81 -0.81 0.23 0.00 0.00 176.35 176.63 2k5r n PRO 74 N 4.23 0.04 0.08 1.29 -0.04 -1.26 -1.59 135.00 137.75 2k5r n PRO 74 Ca -0.19 0.19 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 2k5r n PRO 74 Cb 0.51 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.32 2k5r n PRO 74 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2k5r h GLU 75 N 0.00 0.40 0.00 0.54 4.11 -1.94 -3.39 114.58 114.30 2k5r h GLU 75 Ca 0.00 -0.69 0.00 0.00 0.07 0.00 0.00 59.36 58.74 2k5r h GLU 75 Cb 0.02 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2k5r h GLU 75 CO 0.00 1.33 -1.52 -0.85 0.07 0.00 0.00 179.01 178.04 2k5r n GLU 76 N -3.75 0.47 -1.61 1.06 -0.00 -0.62 -1.44 120.64 114.74 2k5r n GLU 76 Ca -0.21 -0.11 -0.50 0.00 -0.00 0.00 0.00 57.16 56.34 2k5r n GLU 76 Cb 1.02 -1.48 -0.05 0.00 -0.00 0.00 0.00 31.44 30.93 2k5r n GLU 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k5r n ALA 77 N -1.90 -0.35 -2.86 -1.84 0.00 -1.11 -4.44 120.51 108.01 2k5r n ALA 77 Ca -0.00 0.49 -0.32 0.00 0.00 0.00 0.00 53.44 53.60 2k5r n ALA 77 Cb 0.45 -2.14 -0.05 0.00 0.00 0.00 0.00 19.45 17.71 2k5r n ALA 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2k5r s ILE 78 N 0.47 5.36 -0.24 0.00 -1.09 0.10 -0.52 121.20 125.29 2k5r s ILE 78 Ca 0.81 -0.18 -0.13 0.00 -2.23 0.00 0.00 60.65 58.92 2k5r s ILE 78 Cb -0.87 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 36.38 2k5r s ILE 78 CO 0.46 0.22 0.28 0.00 -1.23 0.00 0.00 174.94 174.67 2k5r s ALA 79 N -1.43 3.57 0.29 9.38 0.00 -1.26 -0.21 121.76 132.10 2k5r s ALA 79 Ca 0.32 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.46 2k5r s ALA 79 Cb -0.13 -2.52 0.42 0.00 0.00 0.00 0.00 23.12 20.89 2k5r s ALA 79 CO 0.23 -0.37 1.95 1.79 0.00 0.00 0.00 175.76 179.35 2k5r h THR 80 N 5.15 1.22 0.00 0.00 1.35 -1.54 -1.77 112.91 117.32 2k5r h THR 80 Ca -0.36 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 2k5r h THR 80 Cb 1.17 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 2k5r h THR 80 CO 0.66 0.22 0.00 -0.29 -0.25 0.00 0.00 175.52 175.86 2k5r h ILE 81 N 1.12 0.00 0.00 6.82 6.09 -1.94 -0.19 117.51 129.40 2k5r h ILE 81 Ca 0.30 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.75 2k5r h ILE 81 Cb -0.09 0.93 0.00 0.00 0.47 0.00 0.00 36.82 38.13 2k5r h ILE 81 CO -0.06 0.00 -0.82 1.67 -3.07 0.00 0.00 178.15 175.87 2k5r n GLN 82 N -2.91 0.23 -2.47 2.19 -0.06 -0.67 -4.83 117.38 108.86 2k5r n GLN 82 Ca -0.02 0.02 -0.41 0.00 -2.00 0.00 0.00 57.00 54.59 2k5r n GLN 82 Cb 0.08 -1.60 -0.03 0.00 -4.06 0.00 0.00 30.24 24.63 2k5r n GLN 82 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2k5r s ILE 83 N -3.15 3.74 0.19 1.69 -1.09 -0.09 -4.76 121.20 117.73 2k5r s ILE 83 Ca 0.06 0.51 0.32 0.00 -2.23 0.00 0.00 60.65 59.30 2k5r s ILE 83 Cb 0.15 -4.70 0.32 0.00 -1.58 0.00 0.00 42.46 36.64 2k5r s ILE 83 CO 0.76 -1.56 1.97 0.00 -1.23 0.00 0.00 174.94 174.88 2k5r h ALA 84 N 10.67 1.01 -0.02 9.38 0.00 -1.88 -0.63 119.26 137.80 2k5r h ALA 84 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2k5r h ALA 84 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2k5r h ALA 84 CO 1.24 -0.01 -0.26 0.09 0.00 0.00 0.00 179.25 180.32 2k5r n ASN 85 N -2.62 2.03 -4.76 0.00 3.02 -1.26 -4.98 115.26 106.69 2k5r n ASN 85 Ca -0.02 -1.52 -0.41 0.00 -0.03 0.00 0.00 54.58 52.61 2k5r n ASN 85 Cb 0.06 0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 2k5r n ASN 85 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2k5r s PHE 86 N -1.93 3.34 -0.20 3.10 5.36 -0.25 -4.84 117.98 122.57 2k5r s PHE 86 Ca 0.17 1.52 -0.37 0.00 -0.96 0.00 0.00 56.93 57.29 2k5r s PHE 86 Cb 0.15 -3.47 -0.13 0.00 -0.34 0.00 0.00 43.02 39.22 2k5r s PHE 86 CO 0.39 -1.23 1.85 -0.35 -1.46 0.00 0.00 175.22 174.42 2k5r n PRO 87 N 1.35 1.62 -1.66 10.12 -0.04 -1.26 -4.84 135.00 140.29 2k5r n PRO 87 Ca 0.01 0.59 -0.46 0.00 -0.04 0.00 0.00 63.50 63.59 2k5r n PRO 87 Cb 0.43 -2.39 -0.04 0.00 -0.04 0.00 0.00 33.50 31.47 2k5r n PRO 87 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2k5r n ASP 88 N 6.35 2.95 -4.25 3.54 5.75 -1.26 -5.00 116.55 124.63 2k5r n ASP 88 Ca 0.26 1.09 -0.15 0.00 -0.01 0.00 0.00 54.79 55.98 2k5r n ASP 88 Cb 0.21 -1.41 0.05 0.00 -1.03 0.00 0.00 41.12 38.94 2k5r n ASP 88 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2k5r n LYS 89 N 3.23 0.71 -0.57 0.11 5.02 -1.26 -5.03 118.16 120.37 2k5r n LYS 89 Ca 0.17 -2.42 0.09 0.00 -2.02 0.00 0.00 58.31 54.13 2k5r n LYS 89 Cb 0.28 -0.16 0.33 0.00 -0.02 0.00 0.00 35.03 35.46 2k5r n LYS 89 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2k5r n LEU 90 N 0.00 4.53 -4.55 -0.35 0.00 -1.26 -4.92 117.00 110.45 2k5r n LEU 90 Ca 0.12 -2.50 -0.38 0.00 0.00 0.00 0.00 56.01 53.25 2k5r n LEU 90 Cb 0.46 -0.54 -0.11 0.00 0.00 0.00 0.00 43.42 43.23 2k5r n LEU 90 CO 0.30 0.78 -0.18 -1.83 0.00 0.00 0.00 177.39 176.45 2k5r s GLU 91 N -1.93 3.80 -0.55 1.96 -1.05 -1.26 -5.05 118.70 114.63 2k5r s GLU 91 Ca 0.47 -0.42 -0.20 0.00 -0.15 0.00 0.00 54.97 54.68 2k5r s GLU 91 Cb 0.31 -3.62 0.07 0.00 -0.44 0.00 0.00 34.13 30.45 2k5r s GLU 91 CO 0.21 -0.24 0.69 -1.58 0.95 0.00 0.00 175.26 175.30 2k5r s HIS 92 N 1.72 2.99 0.39 4.83 2.46 -1.26 -4.96 115.29 121.47 2k5r s HIS 92 Ca 0.07 -0.65 0.07 0.00 0.47 0.00 0.00 55.06 55.02 2k5r s HIS 92 Cb -0.16 -3.77 0.82 0.00 -0.13 0.00 0.00 32.58 29.34 2k5r s HIS 92 CO 0.09 -1.18 2.01 1.25 -2.47 0.00 0.00 174.74 174.45 2k5r h HIS 93 N 9.11 0.61 0.00 3.88 2.76 -1.98 -3.44 115.15 126.09 2k5r h HIS 93 Ca -0.28 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 2k5r h HIS 93 Cb 1.09 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.84 2k5r h HIS 93 CO 0.80 0.35 0.00 1.58 -1.30 0.00 0.00 177.93 179.36 2k5r n HIS 94 N -4.47 0.00 -2.18 5.26 -0.00 -1.26 -4.71 115.22 107.86 2k5r n HIS 94 Ca 0.07 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.36 2k5r n HIS 94 Cb 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.13 2k5r n HIS 94 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k5r s HIS 95 N 0.00 2.33 0.31 1.57 5.65 -1.26 -5.01 115.29 118.87 2k5r s HIS 95 Ca 0.00 0.54 0.09 0.00 0.25 0.00 0.00 55.06 55.93 2k5r s HIS 95 Cb 0.00 -3.76 -0.04 0.00 -1.18 0.00 0.00 32.58 27.59 2k5r s HIS 95 CO 0.00 -2.94 0.07 -3.38 -0.65 0.00 0.00 174.74 167.83 2k5r s HIS 96 N 3.92 2.69 -2.66 3.88 -3.43 -1.26 -5.23 115.29 113.19 2k5r s HIS 96 Ca 0.66 -0.32 0.27 0.00 -0.80 0.00 0.00 55.06 54.86 2k5r s HIS 96 Cb -0.28 -1.44 0.77 0.00 -1.43 0.00 0.00 32.58 30.21 2k5r s HIS 96 CO 0.24 0.47 1.59 1.58 -2.00 0.00 0.00 174.74 176.62