#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 6.23 0.59 7.83 1.11 -1.26 -4.93 116.67 126.24 2k5r s ASP 2 Ca 0.00 -0.54 0.38 0.00 0.18 0.00 0.00 52.55 52.57 2k5r s ASP 2 Cb 0.00 -2.25 1.80 0.00 1.07 0.00 0.00 42.92 43.54 2k5r s ASP 2 CO 0.00 -0.62 2.14 0.03 1.18 0.00 0.00 175.17 177.90 2k5r h ARG 3 N 8.74 0.00 -0.15 8.23 3.08 -2.06 0.11 114.38 132.33 2k5r h ARG 3 Ca -0.26 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 2k5r h ARG 3 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 2k5r h ARG 3 CO 0.82 0.00 -0.00 0.87 -1.07 0.00 0.00 179.97 180.58 2k5r h LYS 4 N 0.00 0.21 -0.01 0.04 1.79 -1.96 -0.95 116.57 115.69 2k5r h LYS 4 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2k5r h LYS 4 Cb 0.30 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2k5r h LYS 4 CO 0.00 0.24 -0.18 1.28 -1.08 0.00 0.00 179.45 179.71 2k5r n LEU 5 N -4.40 0.82 -1.65 2.94 7.99 -0.00 -3.70 117.00 119.00 2k5r n LEU 5 Ca -0.01 -0.17 -0.01 0.00 -0.01 0.00 0.00 56.01 55.81 2k5r n LEU 5 Cb 0.16 -0.14 0.29 0.00 -0.11 0.00 0.00 43.42 43.63 2k5r n LEU 5 CO 0.36 0.15 0.91 0.18 -1.51 0.00 0.00 177.39 177.48 2k5r n LEU 6 N -0.72 5.36 0.29 2.23 4.77 -0.37 -4.64 117.00 123.91 2k5r n LEU 6 Ca 0.14 -3.22 0.18 0.00 -0.03 0.00 0.00 56.01 53.08 2k5r n LEU 6 Cb 0.32 -0.68 0.97 0.00 -2.33 0.00 0.00 43.42 41.70 2k5r n LEU 6 CO 0.24 0.82 1.16 0.45 -1.33 0.00 0.00 177.39 178.72 2k5r h HIS 7 N 2.41 0.00 0.00 -1.77 3.86 -1.61 -0.96 115.15 117.08 2k5r h HIS 7 Ca 0.18 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 2k5r h HIS 7 Cb 2.03 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.50 2k5r h HIS 7 CO 1.07 0.00 -0.07 -0.07 0.86 0.00 0.00 177.93 179.71 2k5r h LEU 8 N 0.00 0.00 0.10 2.43 3.38 -1.91 -3.25 115.31 116.06 2k5r h LEU 8 Ca 0.03 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.70 2k5r h LEU 8 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2k5r h LEU 8 CO -0.00 0.07 -1.58 0.25 0.09 0.00 0.00 178.44 177.27 2k5r h LEU 9 N 0.00 0.33 -9.54 1.67 5.85 -1.55 -3.48 115.31 108.59 2k5r h LEU 9 Ca -0.00 -0.83 -0.53 0.00 0.84 0.00 0.00 57.88 57.37 2k5r h LEU 9 Cb 0.57 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2k5r h LEU 9 CO 0.01 1.68 0.45 0.00 -0.34 0.00 0.00 178.44 180.24 2k5r s SER 11 N 0.44 4.91 -0.40 0.00 1.04 -1.26 -5.00 113.70 113.42 2k5r s SER 11 Ca 0.52 -0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.67 2k5r s SER 11 Cb -0.26 -0.33 0.63 0.00 0.10 0.00 0.00 66.02 66.16 2k5r s SER 11 CO 0.31 -1.43 1.83 -0.81 0.98 0.00 0.00 173.24 174.12 2k5r n PRO 12 N -2.48 2.36 0.02 4.02 -0.04 -1.26 -4.79 135.00 132.83 2k5r n PRO 12 Ca 0.12 -2.78 -0.10 0.00 -0.04 0.00 0.00 63.50 60.70 2k5r n PRO 12 Cb 0.60 -2.10 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2k5r n PRO 12 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2k5r h ASP 13 N 1.15 -0.61 -0.41 3.54 2.03 -2.00 -0.11 116.42 120.01 2k5r h ASP 13 Ca 0.54 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.94 2k5r h ASP 13 Cb 2.66 0.27 0.00 0.00 -0.83 0.00 0.00 39.33 41.43 2k5r h ASP 13 CO 0.97 -0.26 0.00 1.07 -1.03 0.00 0.00 179.24 180.00 2k5r n THR 14 N -5.34 0.70 -2.77 1.15 5.66 -1.26 -4.97 114.28 107.45 2k5r n THR 14 Ca -0.03 -0.59 -0.03 0.00 -3.05 0.00 0.00 64.05 60.34 2k5r n THR 14 Cb 0.25 0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 2k5r n THR 14 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2k5r n ARG 15 N 0.68 -3.12 -1.84 1.09 0.63 -0.05 -4.96 116.66 109.09 2k5r n ARG 15 Ca 0.14 2.56 -0.41 0.00 -0.92 0.00 0.00 57.85 59.23 2k5r n ARG 15 Cb 0.41 -5.46 -0.01 0.00 0.45 0.00 0.00 32.46 27.86 2k5r n ARG 15 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2k5r s GLN 16 N -1.96 4.14 -0.34 -0.14 -1.52 -1.26 -4.76 119.66 113.82 2k5r s GLN 16 Ca 0.09 2.53 -0.30 0.00 -1.95 0.00 0.00 55.36 55.72 2k5r s GLN 16 Cb -0.02 -3.00 -0.13 0.00 -0.22 0.00 0.00 33.01 29.64 2k5r s GLN 16 CO 0.78 -0.52 1.42 -2.30 -0.25 0.00 0.00 175.29 174.42 2k5r n PRO 17 N 1.04 0.00 -3.89 2.91 -0.02 -1.26 -4.65 135.00 129.13 2k5r n PRO 17 Ca 0.03 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.16 2k5r n PRO 17 Cb 0.39 -1.02 -0.09 0.00 -0.02 0.00 0.00 33.50 32.77 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 3.89 4.02 0.28 2.45 1.98 -1.26 -0.09 118.68 129.95 2k5r s LEU 18 Ca 0.81 0.18 0.04 0.00 -2.89 0.00 0.00 54.13 52.27 2k5r s LEU 18 Cb -1.02 -2.02 -0.03 0.00 0.66 0.00 0.00 46.19 43.78 2k5r s LEU 18 CO 0.46 0.21 0.22 -0.44 -1.89 0.00 0.00 176.35 174.90 2k5r s SER 19 N 0.19 1.15 0.18 3.68 0.01 -0.39 -4.98 113.70 113.54 2k5r s SER 19 Ca 0.06 -1.62 -0.30 0.00 1.31 0.00 0.00 55.95 55.40 2k5r s SER 19 Cb -0.12 0.49 -0.08 0.00 0.21 0.00 0.00 66.02 66.52 2k5r s SER 19 CO -0.00 -0.98 1.13 -0.22 0.41 0.00 0.00 173.24 173.58 2k5r s LEU 20 N -3.30 4.47 0.00 2.44 1.98 -1.26 -0.06 118.68 122.96 2k5r s LEU 20 Ca 0.40 2.13 -0.30 0.00 -2.89 0.00 0.00 54.13 53.47 2k5r s LEU 20 Cb 0.04 -3.60 -0.07 0.00 0.66 0.00 0.00 46.19 43.22 2k5r s LEU 20 CO 0.22 -0.27 1.66 -0.22 -1.89 0.00 0.00 176.35 175.84 2k5r s LEU 21 N -0.30 4.35 0.75 -0.68 2.96 0.22 -4.54 118.68 121.43 2k5r s LEU 21 Ca 0.51 2.36 -0.13 0.00 -0.22 0.00 0.00 54.13 56.65 2k5r s LEU 21 Cb -0.30 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 42.89 2k5r s LEU 21 CO 0.35 -0.91 1.12 -1.83 -1.32 0.00 0.00 176.35 173.77 2k5r s GLU 22 N 3.42 2.25 0.27 1.98 -1.05 -1.26 -4.71 118.70 119.59 2k5r s GLU 22 Ca 0.74 1.38 0.00 0.00 -0.15 0.00 0.00 54.97 56.95 2k5r s GLU 22 Cb -0.36 -1.88 0.55 0.00 -0.44 0.00 0.00 34.13 32.00 2k5r s GLU 22 CO 0.31 -1.68 1.80 0.66 0.95 0.00 0.00 175.26 177.31 2k5r h SER 23 N -0.72 0.76 -0.59 0.83 4.64 -1.98 0.47 113.55 116.96 2k5r h SER 23 Ca -0.45 0.07 0.10 0.00 -0.47 0.00 0.00 61.79 61.04 2k5r h SER 23 Cb 1.25 -0.08 -0.08 0.00 -0.31 0.00 0.00 62.40 63.19 2k5r h SER 23 CO 0.51 0.37 0.15 0.50 -0.87 0.00 0.00 176.83 177.49 2k5r h LYS 24 N 0.83 0.29 -0.02 4.77 1.63 -2.00 -0.55 116.57 121.51 2k5r h LYS 24 Ca 0.49 -0.02 -0.14 0.00 -0.85 0.00 0.00 60.65 60.13 2k5r h LYS 24 Cb 0.58 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 32.15 2k5r h LYS 24 CO -0.31 0.19 -0.52 0.78 -3.45 0.00 0.00 179.45 176.14 2k5r h GLY 25 N 0.30 0.43 0.36 5.01 0.00 -1.66 -3.27 103.07 104.24 2k5r h GLY 25 Ca 0.30 -0.72 0.09 0.00 0.00 0.00 0.00 47.33 47.00 2k5r h GLY 25 CO -0.36 0.64 0.12 -2.00 0.00 0.00 0.00 176.54 174.94 2k5r h LEU 26 N -0.14 0.04 -1.34 3.11 5.85 -0.44 0.10 115.31 122.50 2k5r h LEU 26 Ca -0.06 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2k5r h LEU 26 Cb 1.23 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 2k5r h LEU 26 CO 0.10 0.05 0.21 1.05 -0.34 0.00 0.00 178.44 179.51 2k5r h GLU 27 N 0.27 0.66 -0.46 1.25 4.11 -1.26 -2.05 114.58 117.10 2k5r h GLU 27 Ca 0.26 -0.08 -0.09 0.00 0.07 0.00 0.00 59.36 59.52 2k5r h GLU 27 Cb 0.34 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2k5r h GLU 27 CO -0.32 0.53 -0.08 0.00 0.07 0.00 0.00 179.01 179.21 2k5r h ALA 28 N 1.57 0.62 0.28 1.06 0.00 -0.91 0.26 119.26 122.15 2k5r h ALA 28 Ca 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2k5r h ALA 28 Cb 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2k5r h ALA 28 CO -0.02 0.49 -0.15 -0.07 0.00 0.00 0.00 179.25 179.50 2k5r h LEU 29 N 0.70 -0.36 -1.22 0.00 -0.00 -0.89 -0.78 115.31 112.75 2k5r h LEU 29 Ca 0.12 0.02 0.04 0.00 -0.00 0.00 0.00 57.88 58.05 2k5r h LEU 29 Cb 0.61 0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 41.32 2k5r h LEU 29 CO 0.04 -0.25 0.54 0.78 -0.00 0.00 0.00 178.44 179.55 2k5r h ASN 30 N -0.40 0.87 -0.03 -0.43 2.35 -1.28 0.30 115.58 116.96 2k5r h ASN 30 Ca -0.03 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2k5r h ASN 30 Cb 0.32 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 2k5r h ASN 30 CO 0.05 0.59 -0.07 0.11 -1.65 0.00 0.00 177.43 176.46 2k5r h LYS 31 N 1.00 -0.11 -0.11 0.81 1.57 -0.77 -1.88 116.57 117.10 2k5r h LYS 31 Ca 0.33 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 59.04 2k5r h LYS 31 Cb 0.05 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2k5r h LYS 31 CO -0.10 -0.07 -0.28 0.00 -0.57 0.00 0.00 179.45 178.43 2k5r h ALA 32 N 0.91 1.33 -0.04 3.86 0.00 -0.08 -1.47 119.26 123.76 2k5r h ALA 32 Ca 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2k5r h ALA 32 Cb 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k5r h ALA 32 CO -0.10 0.47 -0.01 0.82 0.00 0.00 0.00 179.25 180.43 2k5r h ILE 33 N 0.18 1.30 -0.22 0.00 2.04 -0.30 0.23 117.51 120.75 2k5r h ILE 33 Ca 0.03 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 2k5r h ILE 33 Cb 0.60 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 2k5r h ILE 33 CO 0.04 0.25 0.05 0.58 0.00 0.00 0.00 178.15 179.07 2k5r h VAL 34 N -0.28 1.11 0.00 1.67 2.07 -1.24 -0.44 116.25 119.14 2k5r h VAL 34 Ca 0.01 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 2k5r h VAL 34 Cb 0.40 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2k5r h VAL 34 CO 0.00 0.14 -0.47 -1.28 0.02 0.00 0.00 177.57 175.98 2k5r h SER 35 N 0.30 0.00 -0.53 0.57 0.87 -1.09 -3.48 113.55 110.19 2k5r h SER 35 Ca 0.07 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 2k5r h SER 35 Cb 0.13 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2k5r h SER 35 CO -0.00 0.47 -0.09 0.61 -0.53 0.00 0.00 176.83 177.29 2k5r n GLY 36 N 0.28 0.26 0.83 5.77 0.00 0.73 -4.95 105.19 108.11 2k5r n GLY 36 Ca -0.00 -0.74 0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.95 0.06 -2.79 2.61 5.66 -0.61 -4.90 114.28 110.36 2k5r n THR 37 Ca -0.04 -0.53 -0.43 0.00 -3.05 0.00 0.00 64.05 60.01 2k5r n THR 37 Cb 0.53 1.37 -0.04 0.00 -1.55 0.00 0.00 70.33 70.64 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 -1.65 4.52 -0.40 1.08 1.01 -1.25 -4.72 120.40 118.99 2k5r s VAL 38 Ca 0.25 1.08 -0.12 0.00 0.00 0.00 0.00 61.98 63.19 2k5r s VAL 38 Cb 0.17 -4.39 0.04 0.00 0.00 0.00 0.00 36.38 32.21 2k5r s VAL 38 CO 0.26 -0.66 0.25 -1.10 0.00 0.00 0.00 175.10 173.85 2k5r s GLN 39 N 3.64 2.81 1.05 2.72 -0.21 -1.26 -1.76 119.66 126.66 2k5r s GLN 39 Ca 0.39 -1.18 -0.12 0.00 0.02 0.00 0.00 55.36 54.46 2k5r s GLN 39 Cb -0.11 -3.82 0.22 0.00 1.00 0.00 0.00 33.01 30.30 2k5r s GLN 39 CO 0.22 -0.80 1.07 -0.98 -2.12 0.00 0.00 175.29 172.68 2k5r s ARG 40 N 1.55 -0.02 0.44 2.91 1.70 -0.02 -4.53 118.95 120.99 2k5r s ARG 40 Ca 0.03 0.68 0.23 0.00 -0.47 0.00 0.00 55.73 56.19 2k5r s ARG 40 Cb -0.21 -1.67 1.22 0.00 -0.57 0.00 0.00 34.95 33.73 2k5r s ARG 40 CO 0.06 -3.07 1.80 0.00 -1.08 0.00 0.00 175.30 173.01 2k5r h ALA 41 N -2.15 2.45 0.00 7.88 0.00 -1.53 0.28 119.26 126.20 2k5r h ALA 41 Ca -0.57 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2k5r h ALA 41 Cb 1.33 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2k5r h ALA 41 CO 0.54 -0.81 0.00 -0.25 0.00 0.00 0.00 179.25 178.73 2k5r n ASP 42 N -4.49 0.00 -0.02 0.00 9.92 -1.26 -4.83 116.55 115.87 2k5r n ASP 42 Ca 0.24 0.02 -0.00 0.00 -0.53 0.00 0.00 54.79 54.52 2k5r n ASP 42 Cb 0.92 -0.23 -0.00 0.00 -0.64 0.00 0.00 41.12 41.17 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 -0.25 0.41 3.74 0.44 0.00 0.97 -5.05 105.19 105.45 2k5r n GLY 43 Ca 0.06 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.90 4.80 -0.09 1.61 0.15 -1.24 -4.89 113.70 111.15 2k5r s SER 44 Ca 0.00 -0.67 -0.12 0.00 0.70 0.00 0.00 55.95 55.86 2k5r s SER 44 Cb 0.00 -0.84 -0.05 0.00 -1.71 0.00 0.00 66.02 63.43 2k5r s SER 44 CO 0.00 -0.23 0.29 -0.63 1.20 0.00 0.00 173.24 173.87 2k5r s ILE 45 N -2.37 5.26 -0.22 6.45 -1.09 -1.26 -0.84 121.20 127.14 2k5r s ILE 45 Ca 0.37 0.56 -0.18 0.00 -2.23 0.00 0.00 60.65 59.17 2k5r s ILE 45 Cb -0.04 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 2k5r s ILE 45 CO 0.23 0.53 0.52 -1.10 -1.23 0.00 0.00 174.94 173.88 2k5r s GLN 46 N -0.56 4.15 0.00 2.79 -0.21 -0.72 -4.91 119.66 120.20 2k5r s GLN 46 Ca 0.19 0.39 0.12 0.00 0.02 0.00 0.00 55.36 56.07 2k5r s GLN 46 Cb -0.14 -3.59 0.02 0.00 1.00 0.00 0.00 33.01 30.30 2k5r s GLN 46 CO 0.08 -0.21 0.75 0.09 -2.12 0.00 0.00 175.29 173.87 2k5r n ASN 47 N 5.01 1.51 -4.47 5.90 4.13 -1.26 -4.65 115.26 121.42 2k5r n ASN 47 Ca -0.05 -1.25 -0.43 0.00 1.68 0.00 0.00 54.58 54.53 2k5r n ASN 47 Cb 0.50 0.35 -0.05 0.00 -1.54 0.00 0.00 39.78 39.04 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 -1.40 3.19 -0.80 3.52 -0.21 -1.26 -4.89 119.66 117.82 2k5r s GLN 48 Ca 0.11 -0.68 -0.25 0.00 0.02 0.00 0.00 55.36 54.55 2k5r s GLN 48 Cb 0.10 -4.10 -0.02 0.00 1.00 0.00 0.00 33.01 29.99 2k5r s GLN 48 CO 0.26 -1.39 1.79 -1.12 -2.12 0.00 0.00 175.29 172.70 2k5r s SER 49 N 2.90 5.46 0.36 5.90 0.01 -1.26 -4.97 113.70 122.09 2k5r s SER 49 Ca 0.21 -0.38 -0.28 0.00 1.31 0.00 0.00 55.95 56.81 2k5r s SER 49 Cb -0.17 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.41 2k5r s SER 49 CO 0.14 -2.37 1.33 -1.48 0.41 0.00 0.00 173.24 171.27 2k5r s LEU 50 N 8.64 4.35 0.36 2.44 0.05 -1.26 -4.94 118.68 128.32 2k5r s LEU 50 Ca 0.62 2.73 0.21 0.00 0.05 0.00 0.00 54.13 57.74 2k5r s LEU 50 Cb -0.08 -3.73 0.21 0.00 -2.05 0.00 0.00 46.19 40.55 2k5r s LEU 50 CO 0.07 -0.67 1.47 -0.74 -0.55 0.00 0.00 176.35 175.93 2k5r h HIS 51 N 3.12 0.00 -3.22 3.48 -0.00 -1.93 -3.47 115.15 113.13 2k5r h HIS 51 Ca -0.49 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 59.78 2k5r h HIS 51 Cb 1.23 0.00 -0.18 0.00 -0.00 0.00 0.00 27.41 28.47 2k5r h HIS 51 CO 0.55 0.14 -0.24 -2.00 -0.00 0.00 0.00 177.93 176.38 2k5r s GLU 52 N -3.16 0.79 0.34 5.26 2.12 -1.26 -5.12 118.70 117.67 2k5r s GLU 52 Ca 0.05 -0.43 -0.14 0.00 0.36 0.00 0.00 54.97 54.81 2k5r s GLU 52 Cb 0.06 0.34 0.03 0.00 0.26 0.00 0.00 34.13 34.83 2k5r s GLU 52 CO 0.71 -0.25 0.69 0.00 -0.54 0.00 0.00 175.26 175.87 2k5r s ALA 53 N -2.28 -0.52 0.00 6.30 0.00 -1.26 -2.88 121.76 121.12 2k5r s ALA 53 Ca -0.07 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.15 2k5r s ALA 53 Cb -0.02 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 2k5r s ALA 53 CO -0.02 -0.95 -0.19 -0.51 0.00 0.00 0.00 175.76 174.10 2k5r s LEU 54 N -3.06 2.53 -0.06 0.00 1.43 0.50 -0.61 118.68 119.39 2k5r s LEU 54 Ca 0.18 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 2k5r s LEU 54 Cb -0.04 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.69 2k5r s LEU 54 CO 0.12 0.29 -0.19 -0.51 0.23 0.00 0.00 176.35 176.29 2k5r s ILE 55 N -0.81 1.65 0.32 -0.59 1.10 0.92 -0.96 121.20 122.83 2k5r s ILE 55 Ca 0.13 -0.81 -0.29 0.00 -0.51 0.00 0.00 60.65 59.16 2k5r s ILE 55 Cb -0.10 -1.43 -0.10 0.00 0.15 0.00 0.00 42.46 40.97 2k5r s ILE 55 CO 0.03 0.47 1.27 0.42 -2.11 0.00 0.00 174.94 175.02 2k5r s THR 56 N 0.20 2.87 0.39 4.00 -4.23 -0.79 -1.26 115.64 116.82 2k5r s THR 56 Ca -0.10 0.87 0.06 0.00 -1.18 0.00 0.00 61.69 61.34 2k5r s THR 56 Cb -0.14 -3.55 0.24 0.00 1.34 0.00 0.00 72.50 70.38 2k5r s THR 56 CO 0.05 0.20 2.02 -0.09 -0.54 0.00 0.00 174.62 176.26 2k5r h ARG 57 N 3.53 0.54 0.00 3.99 2.43 -0.77 0.40 114.38 124.50 2k5r h ARG 57 Ca -0.48 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 2k5r h ARG 57 Cb 1.22 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2k5r h ARG 57 CO 0.66 0.40 0.00 -3.47 -1.51 0.00 0.00 179.97 176.05 2k5r n ASP 58 N -4.43 0.00 -3.25 -3.80 2.03 -1.26 -4.95 116.55 100.89 2k5r n ASP 58 Ca 0.03 0.46 -0.09 0.00 0.52 0.00 0.00 54.79 55.70 2k5r n ASP 58 Cb 0.10 -0.48 0.02 0.00 -0.72 0.00 0.00 41.12 40.04 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 -1.48 -1.55 0.00 -0.67 1.74 0.14 -4.96 116.66 109.88 2k5r n ARG 59 Ca 0.05 1.16 0.00 0.00 -0.77 0.00 0.00 57.85 58.30 2k5r n ARG 59 Cb 0.22 -5.24 0.00 0.00 -1.02 0.00 0.00 32.46 26.42 2k5r n ARG 59 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2k5r n LYS 60 N -2.45 3.59 -4.81 5.56 2.85 -1.26 -4.91 118.16 116.72 2k5r n LYS 60 Ca -0.06 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 56.95 2k5r n LYS 60 Cb 0.56 -0.61 -0.15 0.00 -0.65 0.00 0.00 35.03 34.18 2k5r n LYS 60 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2k5r s GLN 61 N -0.67 1.41 -0.13 -1.58 -1.52 -1.26 -2.03 119.66 113.90 2k5r s GLN 61 Ca 0.00 -0.67 0.01 0.00 -1.95 0.00 0.00 55.36 52.75 2k5r s GLN 61 Cb 0.00 -1.38 0.02 0.00 -0.22 0.00 0.00 33.01 31.42 2k5r s GLN 61 CO 0.00 0.38 -0.14 0.08 -0.25 0.00 0.00 175.29 175.35 2k5r s VAL 62 N -0.47 1.49 0.12 1.09 1.01 0.34 -1.89 120.40 122.10 2k5r s VAL 62 Ca 0.07 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.45 2k5r s VAL 62 Cb -0.07 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 2k5r s VAL 62 CO -0.00 0.44 0.27 -0.36 0.00 0.00 0.00 175.10 175.45 2k5r s PHE 63 N 1.26 3.50 0.47 5.22 0.40 -0.14 -0.17 117.98 128.52 2k5r s PHE 63 Ca -0.01 0.18 -0.16 0.00 -0.60 0.00 0.00 56.93 56.35 2k5r s PHE 63 Cb -0.14 -1.72 -0.08 0.00 0.51 0.00 0.00 43.02 41.60 2k5r s PHE 63 CO -0.06 0.53 0.92 0.50 0.70 0.00 0.00 175.22 177.81 2k5r s ARG 64 N -2.99 3.94 -0.03 0.44 3.52 -1.20 -0.37 118.95 122.26 2k5r s ARG 64 Ca 0.35 0.84 0.01 0.00 -0.13 0.00 0.00 55.73 56.81 2k5r s ARG 64 Cb -0.12 -2.22 0.01 0.00 -1.56 0.00 0.00 34.95 31.07 2k5r s ARG 64 CO 0.28 -0.17 -0.05 0.42 -0.81 0.00 0.00 175.30 174.98 2k5r s ILE 65 N -2.48 0.50 -0.04 4.11 1.01 -1.14 -0.84 121.20 122.33 2k5r s ILE 65 Ca 0.57 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 61.03 2k5r s ILE 65 Cb -0.10 -0.50 0.01 0.00 0.01 0.00 0.00 42.46 41.89 2k5r s ILE 65 CO 0.29 0.19 0.10 -1.83 0.00 0.00 0.00 174.94 173.68 2k5r s GLU 66 N 0.54 0.10 -1.72 2.79 -1.05 -1.08 -4.49 118.70 113.79 2k5r s GLU 66 Ca -0.07 0.16 0.00 0.00 -0.15 0.00 0.00 54.97 54.91 2k5r s GLU 66 Cb -0.10 0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.60 2k5r s GLU 66 CO -0.00 -0.04 0.00 -3.47 0.95 0.00 0.00 175.26 172.70 2k5r n ASP 67 N 3.22 -5.68 -0.20 0.83 2.03 -1.26 -1.45 116.55 114.04 2k5r n ASP 67 Ca -0.15 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.14 2k5r n ASP 67 Cb 0.58 -4.72 -0.01 0.00 -0.72 0.00 0.00 41.12 36.25 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 -1.78 -4.85 -4.62 1.67 2.88 -1.26 -4.99 113.62 100.68 2k5r n SER 68 Ca -0.23 0.06 -0.38 0.00 -1.33 0.00 0.00 58.87 56.98 2k5r n SER 68 Cb 0.68 -2.57 -0.09 0.00 -0.75 0.00 0.00 64.21 61.48 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 -1.58 5.22 -0.23 2.46 -1.09 -0.53 -5.04 121.20 120.41 2k5r s ILE 69 Ca 0.00 0.48 -0.29 0.00 -2.23 0.00 0.00 60.65 58.62 2k5r s ILE 69 Cb 0.00 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 2k5r s ILE 69 CO 0.00 0.21 1.89 -2.84 -1.23 0.00 0.00 174.94 172.97 2k5r s PRO 70 N 1.80 3.49 -0.91 2.79 0.02 -1.26 -2.63 135.00 138.29 2k5r s PRO 70 Ca 0.13 1.80 -0.19 0.00 0.02 0.00 0.00 61.00 62.76 2k5r s PRO 70 Cb -0.15 -4.20 0.13 0.00 0.02 0.00 0.00 34.50 30.30 2k5r s PRO 70 CO 0.09 -1.68 1.10 0.08 -0.33 0.00 0.00 177.00 176.26 2k5r s VAL 71 N 6.58 4.78 -0.04 3.83 1.01 -0.02 -4.88 120.40 131.66 2k5r s VAL 71 Ca 0.85 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2k5r s VAL 71 Cb -0.28 -4.75 0.06 0.00 0.00 0.00 0.00 36.38 31.40 2k5r s VAL 71 CO 0.34 -1.47 1.21 0.18 0.00 0.00 0.00 175.10 175.36 2k5r n LEU 72 N 6.41 3.65 -4.81 3.92 4.77 -1.26 -3.82 117.00 125.85 2k5r n LEU 72 Ca 0.22 -1.81 -0.38 0.00 -0.03 0.00 0.00 56.01 54.01 2k5r n LEU 72 Cb 0.49 -0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 2k5r n LEU 72 CO 0.50 0.62 0.32 -0.76 -1.33 0.00 0.00 177.39 176.74 2k5r s LEU 73 N -0.30 4.52 0.32 2.23 1.43 -1.26 -5.00 118.68 120.62 2k5r s LEU 73 Ca 0.05 1.34 0.05 0.00 -1.03 0.00 0.00 54.13 54.54 2k5r s LEU 73 Cb 0.04 -3.05 0.55 0.00 0.03 0.00 0.00 46.19 43.77 2k5r s LEU 73 CO 0.01 0.24 1.82 1.55 0.23 0.00 0.00 176.35 180.19 2k5r h PRO 74 N 4.35 0.45 0.00 1.29 0.13 -1.99 -3.06 132.00 133.17 2k5r h PRO 74 Ca -0.49 -0.13 -0.12 0.00 -0.87 0.00 0.00 66.00 64.39 2k5r h PRO 74 Cb 1.21 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2k5r h PRO 74 CO 0.64 0.58 -0.69 1.05 -0.23 0.00 0.00 178.00 179.35 2k5r h GLU 75 N 0.42 0.00 -0.30 0.86 -0.00 -1.97 -3.01 114.58 110.58 2k5r h GLU 75 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.44 2k5r h GLU 75 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.24 2k5r h GLU 75 CO 0.03 0.49 0.00 0.39 -0.00 0.00 0.00 179.01 179.92 2k5r n GLU 76 N -3.17 1.31 -3.42 1.06 -0.58 -1.16 -3.47 120.64 111.21 2k5r n GLU 76 Ca -0.00 -0.38 -0.35 0.00 -0.42 0.00 0.00 57.16 56.00 2k5r n GLU 76 Cb 0.76 -1.20 -0.06 0.00 -0.57 0.00 0.00 31.44 30.37 2k5r n GLU 76 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k5r s ALA 77 N -1.72 3.63 -0.04 0.62 0.00 -1.14 -3.22 121.76 119.89 2k5r s ALA 77 Ca 0.07 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 51.89 2k5r s ALA 77 Cb 0.04 -2.45 -0.02 0.00 0.00 0.00 0.00 23.12 20.69 2k5r s ALA 77 CO 0.04 0.49 -0.22 0.42 0.00 0.00 0.00 175.76 176.49 2k5r s ILE 78 N -1.41 2.39 -0.18 0.00 1.09 0.76 -2.57 121.20 121.29 2k5r s ILE 78 Ca 0.35 -0.97 -0.20 0.00 -1.10 0.00 0.00 60.65 58.73 2k5r s ILE 78 Cb -0.15 -1.88 -0.03 0.00 -1.06 0.00 0.00 42.46 39.34 2k5r s ILE 78 CO 0.18 0.58 0.58 0.00 -0.10 0.00 0.00 174.94 176.19 2k5r s ALA 79 N -0.55 3.52 0.59 9.38 0.00 -1.26 -0.50 121.76 132.93 2k5r s ALA 79 Ca 0.08 -0.26 0.30 0.00 0.00 0.00 0.00 51.96 52.07 2k5r s ALA 79 Cb -0.11 -2.88 1.78 0.00 0.00 0.00 0.00 23.12 21.91 2k5r s ALA 79 CO 0.00 -0.41 2.21 1.79 0.00 0.00 0.00 175.76 179.35 2k5r h THR 80 N 5.06 0.50 0.00 0.00 1.35 -1.76 -0.61 112.91 117.46 2k5r h THR 80 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2k5r h THR 80 Cb 1.16 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2k5r h THR 80 CO 0.76 0.00 0.00 -0.29 -0.25 0.00 0.00 175.52 175.74 2k5r h ILE 81 N 0.00 0.00 -0.00 6.82 6.09 -1.93 -2.27 117.51 126.21 2k5r h ILE 81 Ca 0.03 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 2k5r h ILE 81 Cb 0.16 1.11 0.00 0.00 0.47 0.00 0.00 36.82 38.56 2k5r h ILE 81 CO -0.00 0.00 -0.36 1.67 -3.07 0.00 0.00 178.15 176.39 2k5r n GLN 82 N -2.66 0.26 -2.80 2.19 -0.06 -0.24 -4.74 117.38 109.33 2k5r n GLN 82 Ca 0.00 -0.14 -0.43 0.00 -2.00 0.00 0.00 57.00 54.44 2k5r n GLN 82 Cb 0.21 -1.50 -0.03 0.00 -4.06 0.00 0.00 30.24 24.87 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 -2.84 4.33 -1.78 1.69 -1.09 -0.86 -4.58 121.20 116.08 2k5r s ILE 83 Ca 0.16 -0.71 0.00 0.00 -2.23 0.00 0.00 60.65 57.87 2k5r s ILE 83 Cb 0.18 -4.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.27 2k5r s ILE 83 CO 0.62 -1.58 0.45 0.00 -1.23 0.00 0.00 174.94 173.19 2k5r n ALA 84 N 7.70 1.95 0.17 9.38 0.00 -1.26 -2.25 120.51 136.20 2k5r n ALA 84 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.60 2k5r n ALA 84 Cb 0.48 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 19.02 2k5r n ALA 84 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k5r n ASN 85 N -0.33 2.34 -4.76 0.00 3.02 -1.26 -5.00 115.26 109.26 2k5r n ASN 85 Ca 0.00 -1.69 -0.39 0.00 -0.03 0.00 0.00 54.58 52.47 2k5r n ASN 85 Cb 0.03 -0.10 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 2k5r n ASN 85 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2k5r s PHE 86 N -0.94 3.83 -0.20 3.10 0.40 -0.95 -4.98 117.98 118.24 2k5r s PHE 86 Ca 0.17 1.84 -0.29 0.00 -0.60 0.00 0.00 56.93 58.05 2k5r s PHE 86 Cb 0.10 -3.03 -0.07 0.00 0.51 0.00 0.00 43.02 40.54 2k5r s PHE 86 CO 0.14 0.18 2.18 -2.30 0.70 0.00 0.00 175.22 176.12 2k5r n PRO 87 N 1.18 1.97 -3.03 0.24 -0.02 -1.26 -4.96 135.00 129.11 2k5r n PRO 87 Ca -0.01 0.58 -0.40 0.00 -2.02 0.00 0.00 63.50 61.65 2k5r n PRO 87 Cb 0.47 -3.09 -0.05 0.00 -0.02 0.00 0.00 33.50 30.82 2k5r n PRO 87 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 2k5r s ASP 88 N 7.57 6.99 0.62 2.55 -4.77 -1.26 -5.07 116.67 123.30 2k5r s ASP 88 Ca 1.00 1.19 -0.10 0.00 -3.30 0.00 0.00 52.55 51.35 2k5r s ASP 88 Cb -0.43 -2.42 -0.02 0.00 -1.09 0.00 0.00 42.92 38.97 2k5r s ASP 88 CO 0.39 -0.13 0.99 -1.59 0.70 0.00 0.00 175.17 175.53 2k5r s LYS 89 N 0.88 3.28 -0.26 2.11 -2.85 -1.26 -5.06 119.74 116.58 2k5r s LYS 89 Ca 0.38 0.48 -0.17 0.00 -1.00 0.00 0.00 55.97 55.65 2k5r s LYS 89 Cb -0.18 -2.13 -0.03 0.00 -2.06 0.00 0.00 37.83 33.43 2k5r s LYS 89 CO 0.18 -0.67 0.48 -1.17 0.10 0.00 0.00 175.35 174.28 2k5r s LEU 90 N -5.14 4.05 -0.00 2.77 2.96 -1.26 -5.07 118.68 116.98 2k5r s LEU 90 Ca 0.55 0.47 0.03 0.00 -0.22 0.00 0.00 54.13 54.96 2k5r s LEU 90 Cb -0.11 -2.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.96 2k5r s LEU 90 CO 0.51 -0.27 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.47 2k5r s GLU 91 N 2.26 0.81 0.00 1.98 2.56 -1.26 -5.00 118.70 120.05 2k5r s GLU 91 Ca 0.20 -0.39 0.00 0.00 0.00 0.00 0.00 54.97 54.78 2k5r s GLU 91 Cb -0.16 -0.78 0.00 0.00 2.00 0.00 0.00 34.13 35.19 2k5r s GLU 91 CO 0.09 0.21 0.00 0.72 -0.56 0.00 0.00 175.26 175.72 2k5r n HIS 92 N 2.75 0.00 -4.20 5.30 8.25 -1.26 -5.15 115.22 120.91 2k5r n HIS 92 Ca -0.14 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.15 2k5r n HIS 92 Cb 0.56 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.55 2k5r n HIS 92 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k5r s HIS 93 N 0.00 1.02 -0.92 4.41 5.65 -1.26 -5.07 115.29 119.13 2k5r s HIS 93 Ca 0.00 -0.41 -0.25 0.00 0.25 0.00 0.00 55.06 54.65 2k5r s HIS 93 Cb 0.00 -0.60 -0.09 0.00 -1.18 0.00 0.00 32.58 30.72 2k5r s HIS 93 CO 0.00 0.01 2.08 -1.01 -0.65 0.00 0.00 174.74 175.17 2k5r s HIS 94 N -1.09 1.61 0.00 3.88 0.09 -1.26 -4.80 115.29 113.72 2k5r s HIS 94 Ca -0.03 1.07 0.00 0.00 -0.00 0.00 0.00 55.06 56.11 2k5r s HIS 94 Cb -0.09 -3.83 0.00 0.00 -0.00 0.00 0.00 32.58 28.66 2k5r s HIS 94 CO 0.01 -1.57 1.13 -2.39 -0.00 0.00 0.00 174.74 171.92 2k5r n HIS 95 N 15.62 0.00 -2.73 1.40 1.44 -1.26 -3.48 115.22 126.21 2k5r n HIS 95 Ca 0.43 -0.56 -0.02 0.00 -2.01 0.00 0.00 57.72 55.55 2k5r n HIS 95 Cb 0.46 -0.31 0.10 0.00 0.12 0.00 0.00 29.99 30.35 2k5r n HIS 95 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2k5r n HIS 96 N 0.99 -0.84 -0.03 -1.40 8.25 -1.26 -5.11 115.22 115.83 2k5r n HIS 96 Ca 0.00 -1.91 0.00 0.00 -0.26 0.00 0.00 57.72 55.55 2k5r n HIS 96 Cb 0.40 0.88 0.00 0.00 1.12 0.00 0.00 29.99 32.40 2k5r n HIS 96 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59