#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 6.31 -0.16 7.83 -1.08 -1.26 -5.02 116.67 123.29 2k5r s ASP 2 Ca 0.00 1.16 0.09 0.00 -0.52 0.00 0.00 52.55 53.28 2k5r s ASP 2 Cb 0.00 -2.35 -0.16 0.00 -1.46 0.00 0.00 42.92 38.95 2k5r s ASP 2 CO 0.00 -0.65 -0.02 -2.11 0.52 0.00 0.00 175.17 172.90 2k5r n ARG 3 N -2.25 1.24 0.13 4.34 1.85 -1.26 -4.52 116.66 116.19 2k5r n ARG 3 Ca 0.03 0.03 -0.02 0.00 -1.00 0.00 0.00 57.85 56.89 2k5r n ARG 3 Cb 0.54 -1.37 0.16 0.00 -1.05 0.00 0.00 32.46 30.75 2k5r n ARG 3 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 2k5r h LYS 4 N 0.00 0.06 -0.04 2.89 2.10 -2.00 -2.81 116.57 116.76 2k5r h LYS 4 Ca -0.40 -0.04 0.01 0.00 -2.00 0.00 0.00 60.65 58.23 2k5r h LYS 4 Cb 1.79 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 33.13 2k5r h LYS 4 CO -0.01 0.65 0.14 -0.07 -2.00 0.00 0.00 179.45 178.16 2k5r h LEU 5 N 0.04 0.00 -0.50 7.07 -0.00 -1.94 0.28 115.31 120.27 2k5r h LEU 5 Ca -0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.72 2k5r h LEU 5 Cb 1.09 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.73 2k5r h LEU 5 CO 0.08 0.00 -0.72 -0.07 -0.00 0.00 0.00 178.44 177.73 2k5r h LEU 6 N 0.00 0.00 0.00 1.67 3.38 -1.75 -3.27 115.31 115.33 2k5r h LEU 6 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k5r h LEU 6 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2k5r h LEU 6 CO -0.00 0.72 -1.29 1.41 0.09 0.00 0.00 178.44 179.37 2k5r n HIS 7 N -3.61 0.47 -1.71 1.13 8.25 0.81 -4.95 115.22 115.62 2k5r n HIS 7 Ca -0.01 0.14 -0.31 0.00 -0.26 0.00 0.00 57.72 57.28 2k5r n HIS 7 Cb 0.72 -0.66 0.04 0.00 1.12 0.00 0.00 29.99 31.20 2k5r n HIS 7 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2k5r s LEU 8 N -4.67 3.13 0.29 2.41 1.43 -0.12 -5.00 118.68 116.15 2k5r s LEU 8 Ca -0.01 1.50 -0.30 0.00 -1.03 0.00 0.00 54.13 54.28 2k5r s LEU 8 Cb 0.12 -4.43 -0.12 0.00 0.03 0.00 0.00 46.19 41.80 2k5r s LEU 8 CO 0.83 -1.23 1.60 -0.11 0.23 0.00 0.00 176.35 177.66 2k5r n LEU 9 N -2.98 4.28 -4.73 1.79 0.00 -1.26 -4.95 117.00 109.15 2k5r n LEU 9 Ca 0.07 1.14 -0.41 0.00 0.00 0.00 0.00 56.01 56.81 2k5r n LEU 9 Cb 0.54 -1.58 -0.04 0.00 0.00 0.00 0.00 43.42 42.34 2k5r n LEU 9 CO 0.57 0.12 0.72 0.00 0.00 0.00 0.00 177.39 178.80 2k5r s SER 11 N 0.28 6.49 -0.34 0.00 0.01 -1.26 -5.01 113.70 113.87 2k5r s SER 11 Ca 0.50 0.58 -0.38 0.00 1.31 0.00 0.00 55.95 57.95 2k5r s SER 11 Cb -0.25 -2.09 -0.14 0.00 0.21 0.00 0.00 66.02 63.76 2k5r s SER 11 CO 0.30 0.07 2.05 -2.65 0.41 0.00 0.00 173.24 173.42 2k5r n PRO 12 N 0.14 0.98 -0.10 12.44 -0.02 -1.26 -4.83 135.00 142.35 2k5r n PRO 12 Ca -0.03 0.30 0.22 0.00 -2.02 0.00 0.00 63.50 61.98 2k5r n PRO 12 Cb 0.52 -2.23 0.65 0.00 -0.02 0.00 0.00 33.50 32.42 2k5r n PRO 12 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2k5r h ASP 13 N 10.34 0.10 0.75 2.55 5.19 -2.04 -1.14 116.42 132.17 2k5r h ASP 13 Ca -0.31 0.01 -0.24 0.00 -0.62 0.00 0.00 57.03 55.86 2k5r h ASP 13 Cb 1.33 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.82 2k5r h ASP 13 CO 1.01 0.05 -1.12 0.71 -3.12 0.00 0.00 179.24 176.77 2k5r h THR 14 N 0.10 1.57 -3.49 0.35 1.35 -2.05 -3.42 112.91 107.32 2k5r h THR 14 Ca 0.35 -3.14 -0.69 0.00 -0.55 0.00 0.00 66.41 62.38 2k5r h THR 14 Cb 1.22 2.86 -0.35 0.00 -1.73 0.00 0.00 68.15 70.15 2k5r h THR 14 CO -0.04 0.91 -0.51 -0.60 -0.25 0.00 0.00 175.52 175.03 2k5r s ARG 15 N -2.74 2.11 0.09 4.72 3.52 -0.43 -5.07 118.95 121.15 2k5r s ARG 15 Ca -0.02 -1.97 0.04 0.00 -0.13 0.00 0.00 55.73 53.65 2k5r s ARG 15 Cb 0.08 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.83 2k5r s ARG 15 CO 0.86 -1.09 -0.11 -0.65 -0.81 0.00 0.00 175.30 173.49 2k5r s GLN 16 N 0.89 0.84 0.18 5.12 -0.21 -1.26 -4.42 119.66 120.80 2k5r s GLN 16 Ca 0.10 -1.11 -0.33 0.00 0.02 0.00 0.00 55.36 54.04 2k5r s GLN 16 Cb -0.22 -0.59 -0.14 0.00 1.00 0.00 0.00 33.01 33.06 2k5r s GLN 16 CO -0.04 0.10 1.46 -2.30 -2.12 0.00 0.00 175.29 172.39 2k5r n PRO 17 N 0.71 1.91 -3.03 2.91 -0.02 -1.26 -4.83 135.00 131.40 2k5r n PRO 17 Ca -0.17 0.69 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 2k5r n PRO 17 Cb 0.57 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 2k5r n PRO 17 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2k5r s LEU 18 N 0.54 4.07 0.50 2.45 1.98 -1.26 -3.33 118.68 123.63 2k5r s LEU 18 Ca 0.75 0.79 0.03 0.00 -2.89 0.00 0.00 54.13 52.81 2k5r s LEU 18 Cb -0.72 -2.97 -0.01 0.00 0.66 0.00 0.00 46.19 43.15 2k5r s LEU 18 CO 0.44 -0.44 0.09 -0.44 -1.89 0.00 0.00 176.35 174.11 2k5r s SER 19 N 1.45 4.22 0.09 3.68 0.01 0.30 -4.95 113.70 118.51 2k5r s SER 19 Ca 0.29 -1.51 -0.24 0.00 1.31 0.00 0.00 55.95 55.80 2k5r s SER 19 Cb -0.15 0.35 -0.07 0.00 0.21 0.00 0.00 66.02 66.36 2k5r s SER 19 CO 0.09 -0.84 0.73 -0.22 0.41 0.00 0.00 173.24 173.40 2k5r s LEU 20 N -3.94 4.51 0.04 2.44 1.98 -1.26 0.11 118.68 122.56 2k5r s LEU 20 Ca 0.16 1.47 -0.30 0.00 -2.89 0.00 0.00 54.13 52.58 2k5r s LEU 20 Cb 0.02 -3.19 -0.04 0.00 0.66 0.00 0.00 46.19 43.64 2k5r s LEU 20 CO 0.09 0.13 1.02 -0.22 -1.89 0.00 0.00 176.35 175.48 2k5r s LEU 21 N -0.61 4.40 0.34 -0.68 2.96 -0.46 -4.45 118.68 120.18 2k5r s LEU 21 Ca 0.36 1.77 -0.29 0.00 -0.22 0.00 0.00 54.13 55.75 2k5r s LEU 21 Cb -0.21 -3.58 -0.12 0.00 0.50 0.00 0.00 46.19 42.79 2k5r s LEU 21 CO 0.23 -0.26 1.45 1.21 -1.32 0.00 0.00 176.35 177.66 2k5r n GLU 22 N 3.61 2.49 0.05 1.98 4.07 -1.26 -4.77 120.64 126.81 2k5r n GLU 22 Ca 0.06 0.88 0.05 0.00 -0.06 0.00 0.00 57.16 58.08 2k5r n GLU 22 Cb 0.50 -2.57 0.47 0.00 -0.06 0.00 0.00 31.44 29.77 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 3.25 0.38 -0.90 4.31 4.64 -1.98 0.13 113.55 123.37 2k5r h SER 23 Ca -0.48 -0.01 0.09 0.00 -0.47 0.00 0.00 61.79 60.92 2k5r h SER 23 Cb 1.25 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 63.17 2k5r h SER 23 CO 0.67 0.28 0.55 0.11 -0.87 0.00 0.00 176.83 177.56 2k5r h LYS 24 N 0.45 0.89 -0.04 4.77 1.79 -2.01 -1.59 116.57 120.83 2k5r h LYS 24 Ca 0.13 -0.05 -0.24 0.00 -2.18 0.00 0.00 60.65 58.30 2k5r h LYS 24 Cb -0.04 -0.20 0.02 0.00 -1.58 0.00 0.00 32.23 30.43 2k5r h LYS 24 CO -0.03 0.59 -0.90 0.78 -1.08 0.00 0.00 179.45 178.81 2k5r h GLY 25 N 0.92 0.77 0.28 3.86 0.00 -1.39 -3.27 103.07 104.24 2k5r h GLY 25 Ca 0.43 -1.26 0.07 0.00 0.00 0.00 0.00 47.33 46.57 2k5r h GLY 25 CO -0.23 1.12 -0.09 -2.00 0.00 0.00 0.00 176.54 175.33 2k5r h LEU 26 N 0.36 -0.33 -1.40 3.11 5.85 -0.18 0.11 115.31 122.83 2k5r h LEU 26 Ca -0.10 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 2k5r h LEU 26 Cb 1.56 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 2k5r h LEU 26 CO 0.18 -0.12 -0.21 1.05 -0.34 0.00 0.00 178.44 179.01 2k5r h GLU 27 N 0.00 0.14 -0.51 1.25 4.11 -1.46 -2.44 114.58 115.67 2k5r h GLU 27 Ca 0.17 -0.04 -0.10 0.00 0.07 0.00 0.00 59.36 59.47 2k5r h GLU 27 Cb 0.26 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2k5r h GLU 27 CO -0.37 0.34 -0.08 0.00 0.07 0.00 0.00 179.01 178.97 2k5r h ALA 28 N 1.67 0.89 -0.02 1.06 0.00 -0.91 -0.52 119.26 121.43 2k5r h ALA 28 Ca 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2k5r h ALA 28 Cb 0.44 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k5r h ALA 28 CO 0.03 0.64 0.01 -0.07 0.00 0.00 0.00 179.25 179.86 2k5r h LEU 29 N 0.83 0.03 -0.51 0.00 -0.00 -0.75 -1.74 115.31 113.17 2k5r h LEU 29 Ca 0.14 -0.05 0.02 0.00 -0.00 0.00 0.00 57.88 57.99 2k5r h LEU 29 Cb 0.61 -0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 41.23 2k5r h LEU 29 CO 0.04 0.07 0.31 0.78 -0.00 0.00 0.00 178.44 179.63 2k5r h ASN 30 N -0.02 0.50 -0.79 -0.43 2.35 -1.24 0.57 115.58 116.52 2k5r h ASN 30 Ca 0.01 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.82 2k5r h ASN 30 Cb 0.05 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.26 2k5r h ASN 30 CO -0.00 0.35 0.48 0.11 -1.65 0.00 0.00 177.43 176.72 2k5r h LYS 31 N 0.61 0.86 -0.24 0.81 1.57 -1.04 -1.15 116.57 117.99 2k5r h LYS 31 Ca 0.20 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 2k5r h LYS 31 Cb 0.01 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2k5r h LYS 31 CO -0.09 0.57 -0.28 0.00 -0.57 0.00 0.00 179.45 179.08 2k5r h ALA 32 N 1.38 1.07 -0.26 3.86 0.00 -0.68 -1.07 119.26 123.55 2k5r h ALA 32 Ca 0.35 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2k5r h ALA 32 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2k5r h ALA 32 CO -0.17 0.57 0.11 0.82 0.00 0.00 0.00 179.25 180.58 2k5r h ILE 33 N 0.42 1.17 -0.42 0.00 2.04 -0.19 0.07 117.51 120.60 2k5r h ILE 33 Ca 0.06 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 2k5r h ILE 33 Cb 0.71 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 2k5r h ILE 33 CO 0.05 0.17 0.15 0.58 0.00 0.00 0.00 178.15 179.11 2k5r h VAL 34 N 0.28 1.17 -0.00 1.67 2.07 -1.10 -1.41 116.25 118.92 2k5r h VAL 34 Ca 0.09 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2k5r h VAL 34 Cb 0.17 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2k5r h VAL 34 CO -0.01 0.20 -0.01 -0.24 0.02 0.00 0.00 177.57 177.54 2k5r n SER 35 N -4.36 0.05 -3.65 0.57 2.88 -0.42 -4.93 113.62 103.76 2k5r n SER 35 Ca 0.03 -0.61 -0.24 0.00 -1.33 0.00 0.00 58.87 56.72 2k5r n SER 35 Cb 0.15 -0.13 0.07 0.00 -0.75 0.00 0.00 64.21 63.55 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 1.14 -0.49 0.14 0.46 0.00 -0.07 -4.90 105.19 101.48 2k5r n GLY 36 Ca 0.19 0.21 0.01 0.00 0.00 0.00 0.00 46.02 46.44 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 -4.76 0.54 -2.97 2.61 5.66 -0.68 -4.98 114.28 109.70 2k5r n THR 37 Ca -0.05 -0.77 -0.43 0.00 -3.05 0.00 0.00 64.05 59.75 2k5r n THR 37 Cb 0.58 0.76 -0.05 0.00 -1.55 0.00 0.00 70.33 70.06 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 -0.65 4.61 -0.16 1.08 1.01 -1.25 -4.60 120.40 120.44 2k5r s VAL 38 Ca 0.05 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 2k5r s VAL 38 Cb 0.03 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 2k5r s VAL 38 CO 0.04 -0.91 -0.02 -1.10 0.00 0.00 0.00 175.10 173.10 2k5r s GLN 39 N 3.36 3.71 0.16 2.72 -0.21 -1.26 -1.08 119.66 127.06 2k5r s GLN 39 Ca 0.25 -0.50 -0.03 0.00 0.02 0.00 0.00 55.36 55.11 2k5r s GLN 39 Cb -0.14 -2.96 0.04 0.00 1.00 0.00 0.00 33.01 30.94 2k5r s GLN 39 CO 0.18 0.23 0.21 0.54 -2.12 0.00 0.00 175.29 174.33 2k5r n ARG 40 N 3.57 -0.19 -0.23 2.91 3.00 -0.31 -3.82 116.66 121.59 2k5r n ARG 40 Ca -0.17 -0.33 0.03 0.00 -0.01 0.00 0.00 57.85 57.36 2k5r n ARG 40 Cb 0.52 -0.22 0.14 0.00 0.00 0.00 0.00 32.46 32.91 2k5r n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k5r h ALA 41 N -1.94 0.90 0.00 7.54 0.00 -1.58 0.21 119.26 124.39 2k5r h ALA 41 Ca -0.07 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k5r h ALA 41 Cb 0.19 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k5r h ALA 41 CO 0.05 -0.22 0.00 -0.25 0.00 0.00 0.00 179.25 178.83 2k5r n ASP 42 N -5.03 0.00 0.00 0.00 9.92 -1.26 -4.84 116.55 115.34 2k5r n ASP 42 Ca 0.11 -1.00 0.00 0.00 -0.53 0.00 0.00 54.79 53.38 2k5r n ASP 42 Cb 0.35 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.83 2k5r n ASP 42 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k5r n GLY 43 N 0.60 0.94 3.75 0.44 0.00 0.74 -5.01 105.19 106.66 2k5r n GLY 43 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2k5r n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k5r s SER 44 N -2.96 6.42 -0.20 1.61 0.15 -1.26 -4.48 113.70 112.98 2k5r s SER 44 Ca 0.00 2.91 -0.29 0.00 0.70 0.00 0.00 55.95 59.27 2k5r s SER 44 Cb 0.00 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2k5r s SER 44 CO 0.00 -0.87 1.06 -0.63 1.20 0.00 0.00 173.24 174.00 2k5r s ILE 45 N -0.17 4.65 -0.53 6.45 -1.09 -1.26 -1.16 121.20 128.09 2k5r s ILE 45 Ca 0.61 1.97 -0.25 0.00 -2.23 0.00 0.00 60.65 60.75 2k5r s ILE 45 Cb -0.47 -4.27 0.04 0.00 -1.58 0.00 0.00 42.46 36.18 2k5r s ILE 45 CO 0.49 -0.14 0.98 -1.58 -1.23 0.00 0.00 174.94 173.46 2k5r s GLN 46 N 3.00 3.41 0.00 2.79 2.00 -0.24 -4.87 119.66 125.76 2k5r s GLN 46 Ca 0.46 -0.07 0.22 0.00 -2.00 0.00 0.00 55.36 53.97 2k5r s GLN 46 Cb -0.16 -4.01 -0.10 0.00 0.80 0.00 0.00 33.01 29.53 2k5r s GLN 46 CO 0.09 -1.44 0.95 0.09 -0.50 0.00 0.00 175.29 174.48 2k5r n ASN 47 N 7.53 0.81 -4.55 6.67 3.02 -1.26 -4.68 115.26 122.80 2k5r n ASN 47 Ca 0.04 -0.74 -0.40 0.00 -0.03 0.00 0.00 54.58 53.45 2k5r n ASN 47 Cb 0.48 0.95 -0.10 0.00 -0.61 0.00 0.00 39.78 40.50 2k5r n ASN 47 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2k5r s GLN 48 N -3.06 3.61 0.86 3.52 -0.21 -1.26 -4.84 119.66 118.28 2k5r s GLN 48 Ca 0.07 -0.45 -0.11 0.00 0.02 0.00 0.00 55.36 54.89 2k5r s GLN 48 Cb 0.16 -3.78 0.11 0.00 1.00 0.00 0.00 33.01 30.50 2k5r s GLN 48 CO 0.84 -0.44 1.14 -1.54 -2.12 0.00 0.00 175.29 173.17 2k5r s SER 49 N 1.73 3.47 -0.01 5.90 1.04 -1.26 -5.05 113.70 119.51 2k5r s SER 49 Ca 0.09 2.12 0.05 0.00 0.48 0.00 0.00 55.95 58.70 2k5r s SER 49 Cb -0.17 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.38 2k5r s SER 49 CO 0.11 -2.74 -0.16 -1.48 0.98 0.00 0.00 173.24 169.95 2k5r s LEU 50 N -6.25 2.03 0.19 2.42 0.05 -1.26 -5.04 118.68 110.82 2k5r s LEU 50 Ca 0.66 -0.29 0.18 0.00 0.05 0.00 0.00 54.13 54.74 2k5r s LEU 50 Cb -0.22 -0.82 0.00 0.00 -2.05 0.00 0.00 46.19 43.10 2k5r s LEU 50 CO 0.56 0.19 1.12 0.45 -0.55 0.00 0.00 176.35 178.12 2k5r h HIS 51 N 5.73 0.00 -3.09 3.48 3.86 -1.98 -3.46 115.15 119.69 2k5r h HIS 51 Ca -0.36 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.76 2k5r h HIS 51 Cb 1.15 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 29.45 2k5r h HIS 51 CO 0.40 0.35 -0.18 -2.00 0.86 0.00 0.00 177.93 177.36 2k5r s GLU 52 N -3.08 0.84 0.31 2.45 2.12 -1.24 -5.08 118.70 115.03 2k5r s GLU 52 Ca 0.01 -0.36 -0.05 0.00 0.36 0.00 0.00 54.97 54.92 2k5r s GLU 52 Cb 0.08 0.37 -0.00 0.00 0.26 0.00 0.00 34.13 34.84 2k5r s GLU 52 CO 0.77 -0.27 0.46 0.00 -0.54 0.00 0.00 175.26 175.68 2k5r s ALA 53 N -2.25 0.55 -0.01 6.30 0.00 -1.26 -0.63 121.76 124.45 2k5r s ALA 53 Ca -0.07 -1.38 0.05 0.00 0.00 0.00 0.00 51.96 50.57 2k5r s ALA 53 Cb -0.02 1.14 -0.01 0.00 0.00 0.00 0.00 23.12 24.23 2k5r s ALA 53 CO -0.01 -0.79 -0.17 -0.51 0.00 0.00 0.00 175.76 174.27 2k5r s LEU 54 N -3.18 2.04 -0.00 0.00 1.43 0.73 -1.35 118.68 118.34 2k5r s LEU 54 Ca 0.29 -0.32 0.07 0.00 -1.03 0.00 0.00 54.13 53.14 2k5r s LEU 54 Cb 0.00 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.32 2k5r s LEU 54 CO 0.17 0.21 -0.21 -0.51 0.23 0.00 0.00 176.35 176.24 2k5r s ILE 55 N -0.43 1.63 0.60 -0.59 1.10 0.12 -0.46 121.20 123.18 2k5r s ILE 55 Ca 0.07 -0.95 -0.16 0.00 -0.51 0.00 0.00 60.65 59.09 2k5r s ILE 55 Cb -0.07 -1.37 -0.03 0.00 0.15 0.00 0.00 42.46 41.14 2k5r s ILE 55 CO -0.01 0.40 1.07 0.42 -2.11 0.00 0.00 174.94 174.71 2k5r s THR 56 N -0.55 3.70 0.37 4.00 -4.23 -0.78 -0.54 115.64 117.61 2k5r s THR 56 Ca 0.08 0.82 0.05 0.00 -1.18 0.00 0.00 61.69 61.46 2k5r s THR 56 Cb -0.08 -3.34 0.28 0.00 1.34 0.00 0.00 72.50 70.70 2k5r s THR 56 CO -0.00 -0.46 1.99 0.03 -0.54 0.00 0.00 174.62 175.64 2k5r h ARG 57 N 0.43 0.73 -0.09 3.99 2.47 -1.87 0.08 114.38 120.12 2k5r h ARG 57 Ca -0.47 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.21 2k5r h ARG 57 Cb 1.23 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 2k5r h ARG 57 CO 0.57 0.49 0.00 -3.47 0.56 0.00 0.00 179.97 178.12 2k5r n ASP 58 N -4.46 1.79 -1.42 7.04 2.03 -1.26 -4.93 116.55 115.33 2k5r n ASP 58 Ca 0.08 -1.64 -0.13 0.00 0.52 0.00 0.00 54.79 53.62 2k5r n ASP 58 Cb 0.14 -0.05 -0.01 0.00 -0.72 0.00 0.00 41.12 40.48 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 0.39 -1.00 -0.06 -0.67 1.74 0.01 -4.95 116.66 112.12 2k5r n ARG 59 Ca 0.18 0.62 -0.06 0.00 -0.77 0.00 0.00 57.85 57.82 2k5r n ARG 59 Cb 0.38 -4.82 -0.05 0.00 -1.02 0.00 0.00 32.46 26.95 2k5r n ARG 59 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2k5r h LYS 60 N 0.00 0.00 -6.44 5.56 1.57 -1.92 -3.43 116.57 111.91 2k5r h LYS 60 Ca -0.30 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.84 2k5r h LYS 60 Cb 1.21 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.38 2k5r h LYS 60 CO 0.35 0.34 -0.70 -0.65 -0.57 0.00 0.00 179.45 178.23 2k5r s GLN 61 N -1.90 2.27 0.04 3.15 -0.21 -1.26 -2.39 119.66 119.37 2k5r s GLN 61 Ca -0.10 -1.05 0.05 0.00 0.02 0.00 0.00 55.36 54.28 2k5r s GLN 61 Cb 0.00 -2.34 -0.02 0.00 1.00 0.00 0.00 33.01 31.65 2k5r s GLN 61 CO 0.26 0.49 -0.15 0.08 -2.12 0.00 0.00 175.29 173.84 2k5r s VAL 62 N -1.46 1.21 0.33 1.09 1.01 0.50 -1.86 120.40 121.22 2k5r s VAL 62 Ca 0.25 -1.06 0.09 0.00 0.00 0.00 0.00 61.98 61.25 2k5r s VAL 62 Cb -0.10 -1.09 -0.06 0.00 0.00 0.00 0.00 36.38 35.12 2k5r s VAL 62 CO 0.16 0.02 -0.08 -0.36 0.00 0.00 0.00 175.10 174.85 2k5r s PHE 63 N -0.87 2.29 0.10 5.22 0.40 0.40 0.03 117.98 125.55 2k5r s PHE 63 Ca 0.02 -0.56 0.04 0.00 -0.60 0.00 0.00 56.93 55.83 2k5r s PHE 63 Cb -0.08 -1.33 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 2k5r s PHE 63 CO 0.01 0.49 0.09 0.50 0.70 0.00 0.00 175.22 177.02 2k5r s ARG 64 N -3.65 2.88 -0.16 0.44 3.52 -1.18 -0.19 118.95 120.60 2k5r s ARG 64 Ca 0.32 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 2k5r s ARG 64 Cb 0.03 -2.70 0.03 0.00 -1.56 0.00 0.00 34.95 30.75 2k5r s ARG 64 CO 0.15 0.54 -0.11 0.42 -0.81 0.00 0.00 175.30 175.49 2k5r s ILE 65 N -1.49 1.49 -0.07 4.11 1.01 0.20 0.37 121.20 126.82 2k5r s ILE 65 Ca 0.30 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.24 2k5r s ILE 65 Cb -0.12 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 40.87 2k5r s ILE 65 CO 0.22 0.31 -0.12 -1.83 0.00 0.00 0.00 174.94 173.52 2k5r s GLU 66 N 1.49 1.75 -1.45 2.79 -1.05 -0.76 -3.69 118.70 117.78 2k5r s GLU 66 Ca 0.02 -0.42 -0.06 0.00 -0.15 0.00 0.00 54.97 54.37 2k5r s GLU 66 Cb -0.14 -1.46 0.01 0.00 -0.44 0.00 0.00 34.13 32.09 2k5r s GLU 66 CO -0.09 0.01 0.74 -3.47 0.95 0.00 0.00 175.26 173.39 2k5r n ASP 67 N 3.90 -6.06 0.00 0.83 2.03 -1.26 -1.06 116.55 114.94 2k5r n ASP 67 Ca -0.22 -0.34 0.00 0.00 0.52 0.00 0.00 54.79 54.75 2k5r n ASP 67 Cb 0.52 -4.82 0.00 0.00 -0.72 0.00 0.00 41.12 36.10 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 -2.48 -2.56 -4.55 1.67 2.88 -1.26 -4.99 113.62 102.32 2k5r n SER 68 Ca -0.08 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.06 2k5r n SER 68 Cb 0.60 -1.67 -0.09 0.00 -0.75 0.00 0.00 64.21 62.30 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 -1.94 5.14 -0.58 2.46 -1.09 -0.22 -5.04 121.20 119.93 2k5r s ILE 69 Ca 0.00 0.16 -0.27 0.00 -2.23 0.00 0.00 60.65 58.31 2k5r s ILE 69 Cb 0.00 -3.83 -0.01 0.00 -1.58 0.00 0.00 42.46 37.04 2k5r s ILE 69 CO 0.00 -0.09 1.66 -2.16 -1.23 0.00 0.00 174.94 173.13 2k5r s PRO 70 N 2.09 2.95 -0.99 2.79 0.04 -1.26 -1.83 135.00 138.79 2k5r s PRO 70 Ca 0.13 0.55 -0.22 0.00 0.04 0.00 0.00 61.00 61.50 2k5r s PRO 70 Cb -0.16 -4.27 0.06 0.00 0.04 0.00 0.00 34.50 30.17 2k5r s PRO 70 CO 0.12 -2.35 1.38 0.08 0.04 0.00 0.00 177.00 176.27 2k5r s VAL 71 N 7.62 4.07 -0.66 -0.36 1.01 0.16 -4.81 120.40 127.42 2k5r s VAL 71 Ca 0.61 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2k5r s VAL 71 Cb -0.13 -5.00 0.26 0.00 0.00 0.00 0.00 36.38 31.51 2k5r s VAL 71 CO 0.22 -1.85 0.97 0.18 0.00 0.00 0.00 175.10 174.62 2k5r n LEU 72 N 8.46 2.81 -4.72 3.92 4.77 -1.26 -3.13 117.00 127.84 2k5r n LEU 72 Ca 0.30 -1.43 -0.42 0.00 -0.03 0.00 0.00 56.01 54.44 2k5r n LEU 72 Cb 0.51 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 2k5r n LEU 72 CO 0.63 0.42 0.96 -0.76 -1.33 0.00 0.00 177.39 177.31 2k5r s LEU 73 N -0.92 4.38 0.39 2.23 1.43 -1.26 -4.94 118.68 119.99 2k5r s LEU 73 Ca 0.18 2.17 0.07 0.00 -1.03 0.00 0.00 54.13 55.53 2k5r s LEU 73 Cb 0.14 -3.59 0.83 0.00 0.03 0.00 0.00 46.19 43.60 2k5r s LEU 73 CO 0.05 -0.53 2.01 1.55 0.23 0.00 0.00 176.35 179.65 2k5r h PRO 74 N 6.56 0.61 0.00 1.29 0.13 -1.97 -0.82 132.00 137.80 2k5r h PRO 74 Ca -0.42 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2k5r h PRO 74 Cb 1.21 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2k5r h PRO 74 CO 0.82 0.40 0.00 -0.85 -0.23 0.00 0.00 178.00 178.14 2k5r n GLU 75 N -4.47 0.09 -0.10 0.86 0.00 -1.26 -1.53 120.64 114.23 2k5r n GLU 75 Ca 0.07 0.36 0.06 0.00 0.00 0.00 0.00 57.16 57.65 2k5r n GLU 75 Cb 0.17 -1.68 0.11 0.00 0.00 0.00 0.00 31.44 30.04 2k5r n GLU 75 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2k5r n GLU 76 N -1.85 1.89 -2.02 3.44 4.07 -0.36 -4.50 120.64 121.32 2k5r n GLU 76 Ca 0.02 -1.69 -0.43 0.00 -0.06 0.00 0.00 57.16 55.00 2k5r n GLU 76 Cb 0.18 -1.26 -0.03 0.00 -0.06 0.00 0.00 31.44 30.27 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 -0.99 2.85 0.11 4.31 0.00 -0.58 -4.49 121.76 122.97 2k5r s ALA 77 Ca 0.20 0.20 -0.25 0.00 0.00 0.00 0.00 51.96 52.11 2k5r s ALA 77 Cb 0.11 -4.02 -0.07 0.00 0.00 0.00 0.00 23.12 19.14 2k5r s ALA 77 CO 0.16 -2.67 0.78 0.42 0.00 0.00 0.00 175.76 174.44 2k5r s ILE 78 N 6.91 4.55 -0.34 0.00 -1.09 0.10 -2.33 121.20 129.00 2k5r s ILE 78 Ca 0.78 1.68 -0.12 0.00 -2.23 0.00 0.00 60.65 60.77 2k5r s ILE 78 Cb -0.22 -4.13 -0.01 0.00 -1.58 0.00 0.00 42.46 36.53 2k5r s ILE 78 CO 0.33 0.44 0.21 0.00 -1.23 0.00 0.00 174.94 174.69 2k5r s ALA 79 N -0.58 3.40 0.52 9.38 0.00 -1.25 -0.37 121.76 132.86 2k5r s ALA 79 Ca 0.37 -1.44 0.19 0.00 0.00 0.00 0.00 51.96 51.08 2k5r s ALA 79 Cb -0.22 -2.58 1.30 0.00 0.00 0.00 0.00 23.12 21.63 2k5r s ALA 79 CO 0.25 -1.03 2.10 1.79 0.00 0.00 0.00 175.76 178.88 2k5r h THR 80 N 5.60 0.92 0.00 0.00 1.35 -1.75 -2.03 112.91 117.01 2k5r h THR 80 Ca -0.31 -0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2k5r h THR 80 Cb 1.15 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2k5r h THR 80 CO 0.64 0.00 -0.00 -0.29 -0.25 0.00 0.00 175.52 175.62 2k5r h ILE 81 N 0.00 0.41 -0.01 6.82 6.09 -1.90 -0.70 117.51 128.22 2k5r h ILE 81 Ca 0.08 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.56 2k5r h ILE 81 Cb 0.30 1.00 0.00 0.00 0.47 0.00 0.00 36.82 38.60 2k5r h ILE 81 CO -0.00 0.00 -0.23 0.00 -3.07 0.00 0.00 178.15 174.85 2k5r n GLN 82 N -3.67 1.27 -2.79 2.19 6.02 -0.76 -4.83 117.38 114.80 2k5r n GLN 82 Ca -0.03 -0.88 -0.43 0.00 -0.01 0.00 0.00 57.00 55.65 2k5r n GLN 82 Cb 0.08 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.82 2k5r n GLN 82 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2k5r s ILE 83 N -2.34 4.25 0.63 5.09 -1.09 -0.27 -4.69 121.20 122.77 2k5r s ILE 83 Ca 0.26 0.06 0.35 0.00 -2.23 0.00 0.00 60.65 59.09 2k5r s ILE 83 Cb 0.19 -4.66 0.39 0.00 -1.58 0.00 0.00 42.46 36.80 2k5r s ILE 83 CO 0.47 -1.38 2.23 0.00 -1.23 0.00 0.00 174.94 175.03 2k5r h ALA 84 N 9.54 1.36 -0.01 9.38 0.00 -1.88 -0.51 119.26 137.14 2k5r h ALA 84 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 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 1.16 -0.10 -0.13 0.09 0.00 0.00 0.00 179.25 180.26 2k5r n ASN 85 N -3.44 0.89 -4.78 0.00 5.03 -1.26 -4.85 115.26 106.85 2k5r n ASN 85 Ca -0.02 -0.93 -0.39 0.00 0.87 0.00 0.00 54.58 54.12 2k5r n ASN 85 Cb 0.16 0.03 -0.06 0.00 -1.02 0.00 0.00 39.78 38.89 2k5r n ASN 85 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2k5r s PHE 86 N -2.35 3.73 0.21 3.10 0.40 -0.20 -4.96 117.98 117.90 2k5r s PHE 86 Ca 0.30 1.24 -0.32 0.00 -0.60 0.00 0.00 56.93 57.54 2k5r s PHE 86 Cb 0.20 -2.58 -0.13 0.00 0.51 0.00 0.00 43.02 41.02 2k5r s PHE 86 CO 0.45 0.43 1.63 -2.30 0.70 0.00 0.00 175.22 176.13 2k5r n PRO 87 N 2.38 2.48 -2.97 0.24 -0.02 -1.26 -4.96 135.00 130.89 2k5r n PRO 87 Ca -0.08 0.89 -0.43 0.00 -2.02 0.00 0.00 63.50 61.86 2k5r n PRO 87 Cb 0.51 -2.69 -0.05 0.00 -0.02 0.00 0.00 33.50 31.25 2k5r n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2k5r s ASP 88 N 0.90 6.36 -0.16 2.55 1.01 -1.26 -5.03 116.67 121.04 2k5r s ASP 88 Ca 0.74 -0.31 -0.29 0.00 0.71 0.00 0.00 52.55 53.40 2k5r s ASP 88 Cb -0.58 -2.38 -0.00 0.00 1.01 0.00 0.00 42.92 40.97 2k5r s ASP 88 CO 0.38 -0.98 1.02 -0.54 0.21 0.00 0.00 175.17 175.25 2k5r s LYS 89 N 3.33 4.35 0.00 8.23 -0.14 -1.26 -4.92 119.74 129.33 2k5r s LYS 89 Ca 0.27 1.37 0.02 0.00 -1.36 0.00 0.00 55.97 56.27 2k5r s LYS 89 Cb -0.13 -3.58 0.11 0.00 -1.68 0.00 0.00 37.83 32.54 2k5r s LYS 89 CO 0.20 -0.45 0.88 1.28 -0.76 0.00 0.00 175.35 176.50 2k5r n LEU 90 N 5.57 0.00 0.20 3.17 4.77 -1.26 -2.91 117.00 126.54 2k5r n LEU 90 Ca 0.10 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.17 2k5r n LEU 90 Cb 0.48 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.74 2k5r n LEU 90 CO 0.52 0.00 0.70 1.05 -1.33 0.00 0.00 177.39 178.33 2k5r h GLU 91 N 0.00 0.00 -5.07 3.23 4.11 -2.04 -3.42 114.58 111.39 2k5r h GLU 91 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.77 2k5r h GLU 91 Cb 0.00 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 28.98 2k5r h GLU 91 CO 0.00 0.19 -0.72 -3.38 0.07 0.00 0.00 179.01 175.17 2k5r s HIS 92 N -3.19 2.94 -0.16 2.06 -3.43 -1.15 -5.10 115.29 107.27 2k5r s HIS 92 Ca 0.05 -0.84 -0.08 0.00 -0.80 0.00 0.00 55.06 53.40 2k5r s HIS 92 Cb 0.07 -2.05 0.06 0.00 -1.43 0.00 0.00 32.58 29.23 2k5r s HIS 92 CO 0.69 -0.45 0.38 -1.58 -2.00 0.00 0.00 174.74 171.77 2k5r s HIS 93 N 1.21 -0.59 0.32 0.38 5.04 -1.26 -4.97 115.29 115.41 2k5r s HIS 93 Ca 0.02 1.25 0.07 0.00 -1.54 0.00 0.00 55.06 54.86 2k5r s HIS 93 Cb -0.14 0.22 -0.02 0.00 0.04 0.00 0.00 32.58 32.67 2k5r s HIS 93 CO -0.01 -0.36 0.37 -1.01 -2.34 0.00 0.00 174.74 171.39 2k5r s HIS 94 N 1.74 3.08 -0.52 3.88 3.76 -1.26 -5.08 115.29 120.90 2k5r s HIS 94 Ca -0.07 -0.21 -0.23 0.00 -0.15 0.00 0.00 55.06 54.40 2k5r s HIS 94 Cb -0.10 -1.82 0.04 0.00 1.11 0.00 0.00 32.58 31.81 2k5r s HIS 94 CO -0.12 0.16 0.84 -1.58 -0.85 0.00 0.00 174.74 173.19 2k5r s HIS 95 N -2.19 2.89 -0.16 1.40 2.46 -1.26 -4.90 115.29 113.52 2k5r s HIS 95 Ca 0.41 -0.08 -0.04 0.00 0.47 0.00 0.00 55.06 55.82 2k5r s HIS 95 Cb -0.08 -3.87 -0.23 0.00 -0.13 0.00 0.00 32.58 28.27 2k5r s HIS 95 CO 0.29 -1.20 0.18 1.58 -2.47 0.00 0.00 174.74 173.12 2k5r n HIS 96 N 7.02 0.87 1.27 3.88 -0.00 -1.26 -5.40 115.22 121.61 2k5r n HIS 96 Ca 0.00 0.19 0.13 0.00 -0.00 0.00 0.00 57.72 58.04 2k5r n HIS 96 Cb 0.47 -1.11 0.33 0.00 -0.00 0.00 0.00 29.99 29.67 2k5r n HIS 96 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06