#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5r s ASP 2 N 0.00 5.47 0.36 3.17 1.11 -1.26 -4.71 116.67 120.81 2k5r s ASP 2 Ca 0.00 -1.40 0.27 0.00 0.18 0.00 0.00 52.55 51.60 2k5r s ASP 2 Cb 0.00 -2.58 1.02 0.00 1.07 0.00 0.00 42.92 42.43 2k5r s ASP 2 CO 0.00 -2.54 1.80 0.08 1.18 0.00 0.00 175.17 175.69 2k5r h ARG 3 N 9.99 0.00 0.00 8.23 0.11 -2.09 -2.85 114.38 127.77 2k5r h ARG 3 Ca 0.20 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.28 2k5r h ARG 3 Cb 0.96 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.04 2k5r h ARG 3 CO 1.27 0.00 -0.03 1.57 0.10 0.00 0.00 179.97 182.89 2k5r h LYS 4 N 0.00 0.00 0.00 0.08 2.10 -2.05 -1.35 116.57 115.34 2k5r h LYS 4 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 2k5r h LYS 4 Cb 0.53 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2k5r h LYS 4 CO 0.00 0.03 -0.12 -0.07 -2.00 0.00 0.00 179.45 177.29 2k5r h LEU 5 N 0.00 0.00 -0.73 7.07 -0.00 -1.91 -3.32 115.31 116.43 2k5r h LEU 5 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2k5r h LEU 5 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 2k5r h LEU 5 CO 0.00 0.11 0.00 0.18 -0.00 0.00 0.00 178.44 178.73 2k5r n LEU 6 N -3.12 0.58 0.00 1.67 4.77 -0.51 -3.75 117.00 116.65 2k5r n LEU 6 Ca 0.03 -0.29 0.07 0.00 -0.03 0.00 0.00 56.01 55.79 2k5r n LEU 6 Cb 0.57 -0.29 0.39 0.00 -2.33 0.00 0.00 43.42 41.76 2k5r n LEU 6 CO 0.35 0.15 0.64 0.00 -1.33 0.00 0.00 177.39 177.20 2k5r n HIS 7 N -0.06 0.00 -0.93 -1.77 1.44 -1.25 -4.93 115.22 107.72 2k5r n HIS 7 Ca 0.00 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.31 2k5r n HIS 7 Cb 0.15 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.19 2k5r n HIS 7 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2k5r n LEU 8 N -0.80 0.61 -3.52 2.39 4.77 -1.25 -4.94 117.00 114.26 2k5r n LEU 8 Ca 0.10 0.58 -0.23 0.00 -0.03 0.00 0.00 56.01 56.43 2k5r n LEU 8 Cb 0.04 -0.56 -0.14 0.00 -2.33 0.00 0.00 43.42 40.44 2k5r n LEU 8 CO 0.07 -0.50 -0.27 -0.22 -1.33 0.00 0.00 177.39 175.14 2k5r s LEU 9 N 2.84 0.17 0.36 2.23 0.20 -1.26 -5.15 118.68 118.06 2k5r s LEU 9 Ca 0.70 -0.69 -0.24 0.00 0.69 0.00 0.00 54.13 54.60 2k5r s LEU 9 Cb -0.94 0.03 -0.10 0.00 -0.43 0.00 0.00 46.19 44.76 2k5r s LEU 9 CO 0.46 -0.37 0.95 0.00 -0.29 0.00 0.00 176.35 177.10 2k5r s SER 11 N -1.81 6.39 -0.14 0.00 0.01 -1.26 -4.96 113.70 111.93 2k5r s SER 11 Ca 0.54 2.45 -0.29 0.00 1.31 0.00 0.00 55.95 59.97 2k5r s SER 11 Cb -0.15 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.41 2k5r s SER 11 CO 0.20 -0.78 1.74 -2.84 0.41 0.00 0.00 173.24 171.97 2k5r s PRO 12 N -2.32 3.88 0.61 12.44 0.02 -1.26 -4.89 135.00 143.48 2k5r s PRO 12 Ca 0.58 1.98 0.31 0.00 0.02 0.00 0.00 61.00 63.90 2k5r s PRO 12 Cb -0.33 -4.07 1.80 0.00 0.02 0.00 0.00 34.50 31.91 2k5r s PRO 12 CO 0.42 -1.21 2.14 0.38 -0.33 0.00 0.00 177.00 178.41 2k5r h ASP 13 N 10.83 0.00 -0.19 2.53 2.03 -2.06 -0.92 116.42 128.64 2k5r h ASP 13 Ca -0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 2k5r h ASP 13 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 2k5r h ASP 13 CO 0.97 0.00 0.00 1.07 -1.03 0.00 0.00 179.24 180.25 2k5r n THR 14 N -3.60 1.20 -3.69 1.15 5.66 -1.26 -4.87 114.28 108.88 2k5r n THR 14 Ca -0.00 -1.19 -0.30 0.00 -3.05 0.00 0.00 64.05 59.51 2k5r n THR 14 Cb 0.26 0.36 -0.13 0.00 -1.55 0.00 0.00 70.33 69.27 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 -1.34 1.10 -0.43 1.09 6.06 -0.35 -5.08 118.95 120.00 2k5r s ARG 15 Ca 0.17 -1.76 -0.06 0.00 -2.50 0.00 0.00 55.73 51.58 2k5r s ARG 15 Cb 0.11 -2.15 0.11 0.00 0.06 0.00 0.00 34.95 33.08 2k5r s ARG 15 CO 0.08 -1.14 0.27 -0.65 -2.50 0.00 0.00 175.30 171.36 2k5r s GLN 16 N 0.67 2.29 -0.49 5.12 -1.52 -1.26 -4.45 119.66 120.01 2k5r s GLN 16 Ca 0.16 -1.74 -0.26 0.00 -1.95 0.00 0.00 55.36 51.57 2k5r s GLN 16 Cb -0.23 -3.75 -0.06 0.00 -0.22 0.00 0.00 33.01 28.75 2k5r s GLN 16 CO -0.04 -1.10 2.29 -2.14 -0.25 0.00 0.00 175.29 174.06 2k5r s PRO 17 N 1.27 2.27 -0.13 2.91 0.02 -1.26 -4.95 135.00 135.13 2k5r s PRO 17 Ca 0.06 1.32 -0.05 0.00 0.02 0.00 0.00 61.00 62.35 2k5r s PRO 17 Cb -0.24 -4.53 -0.04 0.00 0.02 0.00 0.00 34.50 29.71 2k5r s PRO 17 CO -0.02 -3.09 0.04 -1.17 -0.33 0.00 0.00 177.00 172.43 2k5r s LEU 18 N 11.35 3.76 0.33 -5.54 1.98 -1.26 -0.37 118.68 128.92 2k5r s LEU 18 Ca 0.92 0.14 -0.07 0.00 -2.89 0.00 0.00 54.13 52.23 2k5r s LEU 18 Cb -0.17 -1.91 0.01 0.00 0.66 0.00 0.00 46.19 44.78 2k5r s LEU 18 CO 0.26 0.28 0.53 -0.44 -1.89 0.00 0.00 176.35 175.09 2k5r s SER 19 N -0.30 0.52 0.23 3.68 0.01 -0.31 -4.94 113.70 112.60 2k5r s SER 19 Ca 0.08 -1.30 -0.30 0.00 1.31 0.00 0.00 55.95 55.74 2k5r s SER 19 Cb -0.12 0.68 -0.09 0.00 0.21 0.00 0.00 66.02 66.70 2k5r s SER 19 CO 0.02 -1.34 1.27 -0.22 0.41 0.00 0.00 173.24 173.38 2k5r s LEU 20 N -3.16 4.44 0.08 2.44 1.98 -1.26 -0.22 118.68 122.98 2k5r s LEU 20 Ca 0.26 2.41 -0.31 0.00 -2.89 0.00 0.00 54.13 53.60 2k5r s LEU 20 Cb -0.01 -3.62 -0.07 0.00 0.66 0.00 0.00 46.19 43.15 2k5r s LEU 20 CO 0.16 -0.46 1.28 -0.22 -1.89 0.00 0.00 176.35 175.22 2k5r s LEU 21 N -0.58 4.37 0.87 -0.68 2.96 -0.75 -4.59 118.68 120.28 2k5r s LEU 21 Ca 0.53 2.15 -0.11 0.00 -0.22 0.00 0.00 54.13 56.48 2k5r s LEU 21 Cb -0.36 -3.58 0.12 0.00 0.50 0.00 0.00 46.19 42.87 2k5r s LEU 21 CO 0.41 -0.55 1.11 -1.83 -1.32 0.00 0.00 176.35 174.16 2k5r s GLU 22 N 1.13 1.42 0.13 1.98 -1.05 -1.26 -4.76 118.70 116.29 2k5r s GLU 22 Ca 0.61 1.25 -0.16 0.00 -0.15 0.00 0.00 54.97 56.52 2k5r s GLU 22 Cb -0.33 -1.80 -0.01 0.00 -0.44 0.00 0.00 34.13 31.56 2k5r s GLU 22 CO 0.29 -2.25 1.70 0.66 0.95 0.00 0.00 175.26 176.61 2k5r h SER 23 N -1.58 0.50 0.14 0.83 4.64 -1.98 0.83 113.55 116.94 2k5r h SER 23 Ca -0.45 -0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 60.60 2k5r h SER 23 Cb 1.26 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2k5r h SER 23 CO 0.48 0.50 -0.46 0.50 -0.87 0.00 0.00 176.83 176.98 2k5r h LYS 24 N 0.47 0.38 -0.08 4.77 3.64 -2.00 -0.27 116.57 123.49 2k5r h LYS 24 Ca 0.13 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 2k5r h LYS 24 Cb 0.14 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2k5r h LYS 24 CO -0.01 0.77 -0.08 0.78 -2.27 0.00 0.00 179.45 178.63 2k5r h GLY 25 N 1.20 0.21 0.50 5.01 0.00 -1.92 -3.19 103.07 104.88 2k5r h GLY 25 Ca 0.02 -0.22 0.08 0.00 0.00 0.00 0.00 47.33 47.21 2k5r h GLY 25 CO 0.08 0.20 0.29 -2.00 0.00 0.00 0.00 176.54 175.10 2k5r h LEU 26 N -0.24 0.36 -1.61 3.11 5.85 -0.57 -0.46 115.31 121.75 2k5r h LEU 26 Ca 0.01 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2k5r h LEU 26 Cb 0.60 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2k5r h LEU 26 CO 0.02 0.22 -0.08 1.05 -0.34 0.00 0.00 178.44 179.31 2k5r h GLU 27 N 0.51 0.15 -0.56 1.25 4.11 -1.15 -2.12 114.58 116.76 2k5r h GLU 27 Ca 0.31 -0.02 -0.06 0.00 0.07 0.00 0.00 59.36 59.65 2k5r h GLU 27 Cb 0.32 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2k5r h GLU 27 CO -0.26 0.24 0.09 0.00 0.07 0.00 0.00 179.01 179.15 2k5r h ALA 28 N 1.78 1.10 0.05 1.06 0.00 -1.07 0.46 119.26 122.64 2k5r h ALA 28 Ca 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2k5r h ALA 28 Cb 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k5r h ALA 28 CO 0.01 0.59 -0.03 -0.07 0.00 0.00 0.00 179.25 179.75 2k5r h LEU 29 N 0.85 -0.06 -1.31 0.00 -0.00 -1.10 -1.56 115.31 112.14 2k5r h LEU 29 Ca 0.18 -0.10 0.05 0.00 -0.00 0.00 0.00 57.88 58.00 2k5r h LEU 29 Cb 0.38 0.02 -0.05 0.00 -0.00 0.00 0.00 40.66 41.01 2k5r h LEU 29 CO 0.01 0.07 0.50 0.78 -0.00 0.00 0.00 178.44 179.80 2k5r h ASN 30 N -0.18 0.75 0.13 -0.43 2.35 -1.11 0.14 115.58 117.23 2k5r h ASN 30 Ca -0.01 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2k5r h ASN 30 Cb 0.16 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 2k5r h ASN 30 CO 0.01 0.50 -0.07 0.11 -1.65 0.00 0.00 177.43 176.33 2k5r h LYS 31 N 0.86 -0.19 -0.26 0.81 6.56 -0.77 -2.08 116.57 121.51 2k5r h LYS 31 Ca 0.32 0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.88 2k5r h LYS 31 Cb 0.16 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.85 2k5r h LYS 31 CO -0.10 -0.13 -0.01 0.00 -2.06 0.00 0.00 179.45 177.15 2k5r h ALA 32 N 0.67 1.50 0.18 3.86 0.00 -0.28 0.39 119.26 125.59 2k5r h ALA 32 Ca -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2k5r h ALA 32 Cb 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2k5r h ALA 32 CO 0.02 0.36 -0.09 0.82 0.00 0.00 0.00 179.25 180.36 2k5r h ILE 33 N 0.38 0.89 0.00 0.00 2.04 -0.64 0.31 117.51 120.50 2k5r h ILE 33 Ca 0.08 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2k5r h ILE 33 Cb 0.27 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2k5r h ILE 33 CO 0.01 0.08 -0.14 0.58 0.00 0.00 0.00 178.15 178.68 2k5r h VAL 34 N -0.42 0.89 0.00 1.67 2.07 -1.15 -1.16 116.25 118.15 2k5r h VAL 34 Ca -0.03 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2k5r h VAL 34 Cb 0.33 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2k5r h VAL 34 CO 0.04 0.14 -0.23 -0.24 0.02 0.00 0.00 177.57 177.30 2k5r n SER 35 N -4.06 0.25 -2.34 0.57 2.88 0.11 -4.97 113.62 106.05 2k5r n SER 35 Ca -0.02 0.17 -0.09 0.00 -1.33 0.00 0.00 58.87 57.60 2k5r n SER 35 Cb 0.22 -0.17 0.05 0.00 -0.75 0.00 0.00 64.21 63.56 2k5r n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k5r n GLY 36 N 1.49 -0.01 2.58 0.46 0.00 0.86 -5.00 105.19 105.57 2k5r n GLY 36 Ca 0.06 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.71 0.32 -3.98 2.61 5.66 0.22 -5.03 114.28 111.38 2k5r n THR 37 Ca -0.15 -2.70 -0.31 0.00 -3.05 0.00 0.00 64.05 57.84 2k5r n THR 37 Cb 0.59 0.70 -0.15 0.00 -1.55 0.00 0.00 70.33 69.93 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 -1.52 2.33 -0.20 1.08 1.01 -1.26 -4.46 120.40 117.39 2k5r s VAL 38 Ca 0.28 -2.69 -0.22 0.00 0.00 0.00 0.00 61.98 59.35 2k5r s VAL 38 Cb 0.39 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 2k5r s VAL 38 CO -0.04 -0.68 0.69 -1.10 0.00 0.00 0.00 175.10 173.98 2k5r s GLN 39 N 0.46 4.22 0.67 2.72 1.11 -1.26 -1.31 119.66 126.27 2k5r s GLN 39 Ca 0.13 0.73 -0.08 0.00 0.01 0.00 0.00 55.36 56.15 2k5r s GLN 39 Cb -0.22 -3.59 0.03 0.00 -1.01 0.00 0.00 33.01 28.22 2k5r s GLN 39 CO -0.05 -0.31 1.01 1.03 0.01 0.00 0.00 175.29 176.98 2k5r s ARG 40 N 2.12 2.64 0.38 2.91 0.52 -0.77 -3.17 118.95 123.58 2k5r s ARG 40 Ca 0.31 0.08 0.07 0.00 -0.52 0.00 0.00 55.73 55.67 2k5r s ARG 40 Cb -0.16 -2.15 0.79 0.00 0.52 0.00 0.00 34.95 33.96 2k5r s ARG 40 CO 0.10 -1.00 1.98 0.00 0.02 0.00 0.00 175.30 176.40 2k5r h ALA 41 N -0.49 1.74 -0.73 2.13 0.00 -0.32 0.20 119.26 121.79 2k5r h ALA 41 Ca -0.45 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.57 2k5r h ALA 41 Cb 1.28 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 2k5r h ALA 41 CO 0.62 0.16 0.29 0.22 0.00 0.00 0.00 179.25 180.54 2k5r h ASP 42 N 0.68 0.27 0.00 0.00 3.58 -1.52 -3.47 116.42 115.96 2k5r h ASP 42 Ca 0.28 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.83 2k5r h ASP 42 Cb 0.23 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2k5r h ASP 42 CO -0.08 0.11 0.00 0.61 -2.88 0.00 0.00 179.24 177.00 2k5r n GLY 43 N -1.32 2.22 3.74 -0.78 0.00 0.69 -5.12 105.19 104.63 2k5r n GLY 43 Ca 0.13 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 2k5r n GLY 43 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k5r s SER 44 N -0.34 4.09 0.12 1.61 1.04 -1.26 -4.37 113.70 114.59 2k5r s SER 44 Ca 0.00 1.86 -0.22 0.00 0.48 0.00 0.00 55.95 58.07 2k5r s SER 44 Cb 0.00 -2.50 -0.07 0.00 0.10 0.00 0.00 66.02 63.55 2k5r s SER 44 CO 0.00 -2.30 0.67 -0.63 0.98 0.00 0.00 173.24 171.95 2k5r s ILE 45 N -2.86 4.57 -0.51 -1.02 -1.09 -1.26 -1.85 121.20 117.18 2k5r s ILE 45 Ca 0.62 1.43 -0.27 0.00 -2.23 0.00 0.00 60.65 60.21 2k5r s ILE 45 Cb -0.18 -4.00 0.03 0.00 -1.58 0.00 0.00 42.46 36.73 2k5r s ILE 45 CO 0.57 0.52 1.03 -1.58 -1.23 0.00 0.00 174.94 174.24 2k5r s GLN 46 N -1.19 3.53 0.14 2.79 2.00 -0.43 -4.90 119.66 121.60 2k5r s GLN 46 Ca 0.33 0.19 0.16 0.00 -2.00 0.00 0.00 55.36 54.04 2k5r s GLN 46 Cb -0.21 -3.96 -0.07 0.00 0.80 0.00 0.00 33.01 29.57 2k5r s GLN 46 CO 0.22 -1.40 1.05 -0.91 -0.50 0.00 0.00 175.29 173.75 2k5r h ASN 47 N 9.25 0.00 -3.39 6.67 4.21 -1.91 -3.43 115.58 126.98 2k5r h ASN 47 Ca -0.24 0.00 -0.60 0.00 1.21 0.00 0.00 56.30 56.67 2k5r h ASN 47 Cb 1.07 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 38.17 2k5r h ASN 47 CO 1.09 0.56 0.45 -1.10 -1.29 0.00 0.00 177.43 177.14 2k5r s GLN 48 N -2.94 4.02 -0.49 0.81 -0.21 -1.26 -4.88 119.66 114.71 2k5r s GLN 48 Ca -0.00 0.70 -0.26 0.00 0.02 0.00 0.00 55.36 55.82 2k5r s GLN 48 Cb 0.08 -3.71 -0.07 0.00 1.00 0.00 0.00 33.01 30.32 2k5r s GLN 48 CO 0.79 -0.66 2.40 -1.54 -2.12 0.00 0.00 175.29 174.16 2k5r s SER 49 N 1.56 4.45 -0.46 5.90 1.04 -1.26 -4.93 113.70 120.00 2k5r s SER 49 Ca 0.34 1.07 -0.24 0.00 0.48 0.00 0.00 55.95 57.60 2k5r s SER 49 Cb -0.14 -2.50 0.03 0.00 0.10 0.00 0.00 66.02 63.50 2k5r s SER 49 CO 0.12 -2.87 0.82 -1.48 0.98 0.00 0.00 173.24 170.81 2k5r s LEU 50 N 12.14 4.20 -0.21 2.42 0.05 -1.26 -4.89 118.68 131.12 2k5r s LEU 50 Ca 0.97 -0.09 0.08 0.00 0.05 0.00 0.00 54.13 55.14 2k5r s LEU 50 Cb -0.17 -3.00 0.56 0.00 -2.05 0.00 0.00 46.19 41.54 2k5r s LEU 50 CO 0.26 -0.97 1.47 1.41 -0.55 0.00 0.00 176.35 177.97 2k5r n HIS 51 N 6.86 1.70 -3.67 3.48 8.25 -1.26 -4.66 115.22 125.92 2k5r n HIS 51 Ca 0.03 -0.78 -0.08 0.00 -0.26 0.00 0.00 57.72 56.63 2k5r n HIS 51 Cb 0.48 -0.50 -0.09 0.00 1.12 0.00 0.00 29.99 31.01 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 -2.30 0.44 0.23 -0.41 2.12 -1.26 -5.10 118.70 112.42 2k5r s GLU 52 Ca 0.40 1.05 -0.22 0.00 0.36 0.00 0.00 54.97 56.56 2k5r s GLU 52 Cb 0.31 0.28 0.05 0.00 0.26 0.00 0.00 34.13 35.03 2k5r s GLU 52 CO 0.10 -0.20 0.89 0.00 -0.54 0.00 0.00 175.26 175.51 2k5r s ALA 53 N 2.15 -1.36 0.24 6.30 0.00 -1.26 -3.57 121.76 124.25 2k5r s ALA 53 Ca -0.06 -0.24 0.10 0.00 0.00 0.00 0.00 51.96 51.76 2k5r s ALA 53 Cb -0.10 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 2k5r s ALA 53 CO -0.15 -1.04 -0.09 -0.51 0.00 0.00 0.00 175.76 173.97 2k5r s LEU 54 N -3.05 2.93 0.00 0.00 1.43 0.35 -1.81 118.68 118.53 2k5r s LEU 54 Ca 0.14 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 2k5r s LEU 54 Cb -0.03 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 2k5r s LEU 54 CO 0.06 0.05 0.01 -0.51 0.23 0.00 0.00 176.35 176.19 2k5r s ILE 55 N -2.12 0.05 0.32 -0.59 1.10 0.69 -0.64 121.20 120.00 2k5r s ILE 55 Ca 0.28 -0.39 -0.29 0.00 -0.51 0.00 0.00 60.65 59.75 2k5r s ILE 55 Cb -0.07 -0.15 -0.10 0.00 0.15 0.00 0.00 42.46 42.29 2k5r s ILE 55 CO 0.17 -0.21 1.23 0.42 -2.11 0.00 0.00 174.94 174.43 2k5r s THR 56 N -0.63 3.00 -1.16 4.00 -4.23 -0.53 -1.16 115.64 114.92 2k5r s THR 56 Ca -0.07 1.00 0.14 0.00 -1.18 0.00 0.00 61.69 61.58 2k5r s THR 56 Cb -0.04 -3.64 0.16 0.00 1.34 0.00 0.00 72.50 70.32 2k5r s THR 56 CO -0.00 0.24 1.41 0.54 -0.54 0.00 0.00 174.62 176.26 2k5r n ARG 57 N 0.92 0.07 0.00 3.99 1.74 0.50 0.16 116.66 124.04 2k5r n ARG 57 Ca -0.00 0.23 0.12 0.00 -0.77 0.00 0.00 57.85 57.42 2k5r n ARG 57 Cb 0.43 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.53 2k5r n ARG 57 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2k5r n ASP 58 N -1.42 0.80 -1.90 0.55 2.03 -1.26 -4.97 116.55 110.37 2k5r n ASP 58 Ca 0.05 -0.61 -0.18 0.00 0.52 0.00 0.00 54.79 54.57 2k5r n ASP 58 Cb 0.14 0.44 -0.02 0.00 -0.72 0.00 0.00 41.12 40.96 2k5r n ASP 58 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2k5r n ARG 59 N -1.29 -1.37 0.04 -0.67 3.00 0.12 -4.90 116.66 111.60 2k5r n ARG 59 Ca 0.06 0.89 0.09 0.00 -0.01 0.00 0.00 57.85 58.88 2k5r n ARG 59 Cb 0.34 -5.33 -0.08 0.00 0.00 0.00 0.00 32.46 27.39 2k5r n ARG 59 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2k5r n LYS 60 N -2.65 0.63 -3.87 5.56 -0.00 -1.26 -4.83 118.16 111.73 2k5r n LYS 60 Ca -0.20 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.00 2k5r n LYS 60 Cb 0.65 -1.69 -0.10 0.00 -0.00 0.00 0.00 35.03 33.88 2k5r n LYS 60 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2k5r s GLN 61 N -3.33 0.49 0.16 -1.58 -0.21 -1.26 -4.03 119.66 109.89 2k5r s GLN 61 Ca -0.04 -0.40 0.09 0.00 0.02 0.00 0.00 55.36 55.03 2k5r s GLN 61 Cb 0.11 0.20 -0.04 0.00 1.00 0.00 0.00 33.01 34.28 2k5r s GLN 61 CO 0.84 -0.12 -0.13 0.08 -2.12 0.00 0.00 175.29 173.85 2k5r s VAL 62 N -1.39 3.07 0.18 1.09 1.01 0.20 -1.45 120.40 123.11 2k5r s VAL 62 Ca -0.15 -1.60 0.07 0.00 0.00 0.00 0.00 61.98 60.30 2k5r s VAL 62 Cb -0.08 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2k5r s VAL 62 CO 0.02 -0.03 -0.14 -0.36 0.00 0.00 0.00 175.10 174.58 2k5r s PHE 63 N -1.51 1.62 0.12 5.22 0.40 0.19 -0.43 117.98 123.59 2k5r s PHE 63 Ca 0.22 -0.59 0.04 0.00 -0.60 0.00 0.00 56.93 56.00 2k5r s PHE 63 Cb -0.09 -0.77 -0.04 0.00 0.51 0.00 0.00 43.02 42.62 2k5r s PHE 63 CO 0.13 0.29 0.10 0.50 0.70 0.00 0.00 175.22 176.94 2k5r s ARG 64 N -3.46 2.88 -0.05 0.44 3.52 -1.25 -0.50 118.95 120.53 2k5r s ARG 64 Ca 0.19 -0.77 0.04 0.00 -0.13 0.00 0.00 55.73 55.06 2k5r s ARG 64 Cb -0.01 -2.69 0.00 0.00 -1.56 0.00 0.00 34.95 30.69 2k5r s ARG 64 CO 0.05 0.53 -0.17 0.42 -0.81 0.00 0.00 175.30 175.33 2k5r s ILE 65 N -1.54 1.42 -0.01 4.11 1.01 -1.23 -0.61 121.20 124.34 2k5r s ILE 65 Ca 0.30 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 60.23 2k5r s ILE 65 Cb -0.11 -1.23 -0.00 0.00 0.01 0.00 0.00 42.46 41.12 2k5r s ILE 65 CO 0.22 0.41 0.06 -1.83 0.00 0.00 0.00 174.94 173.81 2k5r s GLU 66 N 0.21 0.23 -1.51 2.79 -1.05 -0.81 -4.81 118.70 113.75 2k5r s GLU 66 Ca -0.08 -0.20 -0.05 0.00 -0.15 0.00 0.00 54.97 54.50 2k5r s GLU 66 Cb -0.13 0.10 0.02 0.00 -0.44 0.00 0.00 34.13 33.67 2k5r s GLU 66 CO 0.03 -0.04 0.46 -3.47 0.95 0.00 0.00 175.26 173.19 2k5r n ASP 67 N 2.30 -5.50 -0.10 0.83 2.03 -1.26 -0.41 116.55 114.45 2k5r n ASP 67 Ca -0.18 -0.23 -0.01 0.00 0.52 0.00 0.00 54.79 54.89 2k5r n ASP 67 Cb 0.57 -4.49 -0.01 0.00 -0.72 0.00 0.00 41.12 36.48 2k5r n ASP 67 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2k5r n SER 68 N -2.36 -4.77 -4.43 1.67 7.64 -1.26 -4.99 113.62 105.12 2k5r n SER 68 Ca -0.12 0.03 -0.37 0.00 1.01 0.00 0.00 58.87 59.43 2k5r n SER 68 Cb 0.62 -2.39 -0.13 0.00 -1.01 0.00 0.00 64.21 61.30 2k5r n SER 68 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2k5r s ILE 69 N -1.51 4.23 -0.49 0.44 -1.09 0.46 -5.06 121.20 118.17 2k5r s ILE 69 Ca 0.00 -0.25 -0.28 0.00 -2.23 0.00 0.00 60.65 57.89 2k5r s ILE 69 Cb 0.00 -3.00 -0.01 0.00 -1.58 0.00 0.00 42.46 37.87 2k5r s ILE 69 CO 0.00 0.31 1.74 -2.84 -1.23 0.00 0.00 174.94 172.92 2k5r s PRO 70 N 1.60 3.04 -0.99 2.79 0.02 -1.26 -1.93 135.00 138.26 2k5r s PRO 70 Ca 0.06 0.90 -0.23 0.00 0.02 0.00 0.00 61.00 61.75 2k5r s PRO 70 Cb -0.15 -4.26 0.05 0.00 0.02 0.00 0.00 34.50 30.16 2k5r s PRO 70 CO 0.03 -2.23 1.45 0.08 -0.33 0.00 0.00 177.00 176.00 2k5r s VAL 71 N 7.62 3.89 -2.00 3.83 1.01 0.22 -4.80 120.40 130.17 2k5r s VAL 71 Ca 0.69 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 62.07 2k5r s VAL 71 Cb -0.16 -5.02 0.12 0.00 0.00 0.00 0.00 36.38 31.32 2k5r s VAL 71 CO 0.27 -1.90 1.15 0.18 0.00 0.00 0.00 175.10 174.80 2k5r n LEU 72 N 9.08 0.00 -4.65 3.92 4.77 -1.26 -3.76 117.00 125.10 2k5r n LEU 72 Ca 0.30 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.86 2k5r n LEU 72 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2k5r n LEU 72 CO 0.66 0.00 1.31 -0.76 -1.33 0.00 0.00 177.39 177.27 2k5r s LEU 73 N -1.13 4.17 0.52 2.23 1.43 -1.26 -4.90 118.68 119.75 2k5r s LEU 73 Ca 0.06 1.95 0.20 0.00 -1.03 0.00 0.00 54.13 55.30 2k5r s LEU 73 Cb 0.03 -3.53 1.32 0.00 0.03 0.00 0.00 46.19 44.04 2k5r s LEU 73 CO 0.05 -0.99 2.09 1.55 0.23 0.00 0.00 176.35 179.28 2k5r h PRO 74 N 9.60 0.00 -0.14 1.29 0.13 -1.98 -0.73 132.00 140.17 2k5r h PRO 74 Ca -0.35 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2k5r h PRO 74 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2k5r h PRO 74 CO 0.97 0.00 0.03 1.05 -0.23 0.00 0.00 178.00 179.82 2k5r h GLU 75 N 0.00 0.19 -0.01 0.86 4.11 -1.94 -2.02 114.58 115.77 2k5r h GLU 75 Ca 0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.51 2k5r h GLU 75 Cb 0.40 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2k5r h GLU 75 CO -0.00 0.19 -0.17 -1.91 0.07 0.00 0.00 179.01 177.19 2k5r n GLU 76 N -4.45 1.22 -1.78 1.06 4.07 -0.29 -1.44 120.64 119.03 2k5r n GLU 76 Ca -0.01 -0.76 -0.34 0.00 -0.06 0.00 0.00 57.16 55.99 2k5r n GLU 76 Cb 0.13 -1.48 0.05 0.00 -0.06 0.00 0.00 31.44 30.08 2k5r n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k5r s ALA 77 N -2.31 2.44 -0.05 4.31 0.00 -0.76 -4.36 121.76 121.03 2k5r s ALA 77 Ca 0.29 0.67 0.05 0.00 0.00 0.00 0.00 51.96 52.97 2k5r s ALA 77 Cb 0.20 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 2k5r s ALA 77 CO 0.45 -1.31 -0.19 0.42 0.00 0.00 0.00 175.76 175.13 2k5r s ILE 78 N -2.15 2.60 -0.37 0.00 1.01 0.43 0.11 121.20 122.84 2k5r s ILE 78 Ca 0.70 -0.89 -0.23 0.00 0.00 0.00 0.00 60.65 60.22 2k5r s ILE 78 Cb -0.23 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.27 2k5r s ILE 78 CO 0.40 0.58 0.80 0.00 0.00 0.00 0.00 174.94 176.72 2k5r s ALA 79 N -0.50 3.43 0.28 9.38 0.00 -1.19 -0.63 121.76 132.53 2k5r s ALA 79 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2k5r s ALA 79 Cb -0.11 -3.39 0.52 0.00 0.00 0.00 0.00 23.12 20.14 2k5r s ALA 79 CO 0.01 -1.50 1.87 1.79 0.00 0.00 0.00 175.76 177.92 2k5r h THR 80 N 5.76 1.00 0.00 0.00 1.35 -1.88 -1.28 112.91 117.85 2k5r h THR 80 Ca -0.24 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2k5r h THR 80 Cb 1.09 -0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 2k5r h THR 80 CO 0.92 0.19 0.00 -0.29 -0.25 0.00 0.00 175.52 176.09 2k5r h ILE 81 N 1.05 0.00 0.00 6.82 2.10 -1.92 -0.29 117.51 125.27 2k5r h ILE 81 Ca 0.46 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 66.35 2k5r h ILE 81 Cb 0.34 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 2k5r h ILE 81 CO -0.21 0.00 -0.40 1.56 -1.08 0.00 0.00 178.15 178.02 2k5r h GLN 82 N 0.00 0.00 -5.75 2.19 1.08 -1.60 -3.42 115.11 107.60 2k5r h GLN 82 Ca 0.00 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.58 2k5r h GLN 82 Cb 0.04 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.35 2k5r h GLN 82 CO 0.00 0.00 1.16 0.42 -0.95 0.00 0.00 178.83 179.46 2k5r s ILE 83 N -3.17 4.18 0.57 2.54 -1.09 -0.12 -4.81 121.20 119.30 2k5r s ILE 83 Ca 0.07 -0.83 0.25 0.00 -2.23 0.00 0.00 60.65 57.91 2k5r s ILE 83 Cb 0.12 -4.92 0.33 0.00 -1.58 0.00 0.00 42.46 36.40 2k5r s ILE 83 CO 0.68 -1.76 2.21 0.00 -1.23 0.00 0.00 174.94 174.85 2k5r h ALA 84 N 9.51 1.72 -0.11 9.38 0.00 -1.83 -1.59 119.26 136.34 2k5r h ALA 84 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2k5r h ALA 84 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2k5r h ALA 84 CO 1.29 -0.03 0.00 0.09 0.00 0.00 0.00 179.25 180.61 2k5r n ASN 85 N -4.09 1.24 -4.68 0.00 3.02 -1.26 -4.86 115.26 104.63 2k5r n ASN 85 Ca -0.03 -1.60 -0.42 0.00 -0.03 0.00 0.00 54.58 52.50 2k5r n ASN 85 Cb 0.11 -0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.87 3.04 -0.08 3.10 5.36 -0.60 -4.74 117.98 122.20 2k5r s PHE 86 Ca 0.33 1.09 -0.30 0.00 -0.96 0.00 0.00 56.93 57.09 2k5r s PHE 86 Cb 0.17 -3.49 -0.05 0.00 -0.34 0.00 0.00 43.02 39.31 2k5r s PHE 86 CO 0.27 -1.64 1.56 -1.25 -1.46 0.00 0.00 175.22 172.70 2k5r s PRO 87 N 2.51 4.19 -0.52 10.12 0.04 -1.26 -4.98 135.00 145.11 2k5r s PRO 87 Ca 0.57 2.07 -0.24 0.00 0.04 0.00 0.00 61.00 63.44 2k5r s PRO 87 Cb -0.26 -3.93 0.04 0.00 0.04 0.00 0.00 34.50 30.39 2k5r s PRO 87 CO 0.22 -0.81 0.91 -0.51 0.04 0.00 0.00 177.00 176.84 2k5r s ASP 88 N 3.02 6.38 -0.15 6.66 1.01 -1.26 -5.02 116.67 127.31 2k5r s ASP 88 Ca 0.69 -0.24 -0.01 0.00 0.71 0.00 0.00 52.55 53.71 2k5r s ASP 88 Cb -0.31 -2.43 0.04 0.00 1.01 0.00 0.00 42.92 41.24 2k5r s ASP 88 CO 0.26 -1.13 -0.05 -0.54 0.21 0.00 0.00 175.17 173.92 2k5r s LYS 89 N 3.77 1.37 -0.30 8.23 1.02 -1.26 -5.12 119.74 127.45 2k5r s LYS 89 Ca 0.31 -0.43 -0.23 0.00 0.02 0.00 0.00 55.97 55.64 2k5r s LYS 89 Cb -0.12 -1.88 -0.00 0.00 -0.52 0.00 0.00 37.83 35.30 2k5r s LYS 89 CO 0.21 -0.41 0.76 -0.51 -0.92 0.00 0.00 175.35 174.49 2k5r s LEU 90 N 1.68 4.09 0.51 3.17 1.43 -1.26 -5.05 118.68 123.25 2k5r s LEU 90 Ca 0.02 0.66 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 2k5r s LEU 90 Cb -0.15 -3.04 -0.01 0.00 0.03 0.00 0.00 46.19 43.02 2k5r s LEU 90 CO -0.08 -0.58 0.01 -1.83 0.23 0.00 0.00 176.35 174.10 2k5r s GLU 91 N 2.89 2.20 0.27 1.70 -1.05 -1.26 -5.12 118.70 118.32 2k5r s GLU 91 Ca 0.31 -2.41 -0.29 0.00 -0.15 0.00 0.00 54.97 52.43 2k5r s GLU 91 Cb -0.14 -1.46 -0.09 0.00 -0.44 0.00 0.00 34.13 32.00 2k5r s GLU 91 CO 0.12 -0.39 1.19 -1.01 0.95 0.00 0.00 175.26 176.11 2k5r s HIS 92 N -2.91 3.39 -0.56 4.83 3.76 -1.26 -4.97 115.29 117.57 2k5r s HIS 92 Ca 0.05 1.54 -0.28 0.00 -0.15 0.00 0.00 55.06 56.21 2k5r s HIS 92 Cb 0.01 -3.44 0.02 0.00 1.11 0.00 0.00 32.58 30.29 2k5r s HIS 92 CO 0.03 -1.10 1.28 -1.01 -0.85 0.00 0.00 174.74 173.09 2k5r s HIS 93 N -0.84 2.48 -1.08 1.40 0.09 -1.26 -4.94 115.29 111.14 2k5r s HIS 93 Ca 0.48 0.45 -0.23 0.00 -0.00 0.00 0.00 55.06 55.76 2k5r s HIS 93 Cb -0.34 -4.46 -0.06 0.00 -0.00 0.00 0.00 32.58 27.71 2k5r s HIS 93 CO 0.43 -1.75 1.92 -1.58 -0.00 0.00 0.00 174.74 173.76 2k5r s HIS 94 N 5.37 1.95 -0.58 1.40 5.04 -1.26 -4.91 115.29 122.30 2k5r s HIS 94 Ca 0.47 0.42 -0.19 0.00 -1.54 0.00 0.00 55.06 54.21 2k5r s HIS 94 Cb -0.09 -4.06 0.09 0.00 0.04 0.00 0.00 32.58 28.56 2k5r s HIS 94 CO 0.26 -1.44 0.72 -1.58 -2.34 0.00 0.00 174.74 170.36 2k5r s HIS 95 N 10.29 2.97 -1.11 3.88 2.46 -1.26 -4.97 115.29 127.55 2k5r s HIS 95 Ca 0.68 -0.80 -0.15 0.00 0.47 0.00 0.00 55.06 55.26 2k5r s HIS 95 Cb -0.03 -3.93 -0.07 0.00 -0.13 0.00 0.00 32.58 28.43 2k5r s HIS 95 CO 0.07 -1.27 2.18 1.58 -2.47 0.00 0.00 174.74 174.83 2k5r n HIS 96 N 6.46 2.36 -1.58 3.88 -0.00 -1.26 -5.33 115.22 119.75 2k5r n HIS 96 Ca -0.08 -2.35 0.00 0.00 0.46 0.00 0.00 57.72 55.75 2k5r n HIS 96 Cb 0.44 -2.06 0.00 0.00 -0.12 0.00 0.00 29.99 28.25 2k5r n HIS 96 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52