#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 0.58 0.32 6.12 9.92 -1.26 -4.83 116.55 127.39 2k5r n ASP 2 Ca 0.00 1.15 0.21 0.00 -0.53 0.00 0.00 54.79 55.62 2k5r n ASP 2 Cb 0.00 -1.02 1.14 0.00 -0.64 0.00 0.00 41.12 40.60 2k5r n ASP 2 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 2k5r h ARG 3 N 3.54 0.00 0.02 -1.24 0.11 -1.99 -1.44 114.38 113.38 2k5r h ARG 3 Ca -0.50 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.34 2k5r h ARG 3 Cb 1.40 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.50 2k5r h ARG 3 CO 0.70 0.00 -0.95 0.87 0.10 0.00 0.00 179.97 180.68 2k5r h LYS 4 N 0.00 0.61 -0.11 0.08 1.57 -1.92 -3.32 116.57 113.48 2k5r h LYS 4 Ca 0.00 -0.68 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 2k5r h LYS 4 Cb 0.01 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2k5r h LYS 4 CO 0.00 1.28 0.00 1.28 -0.57 0.00 0.00 179.45 181.44 2k5r n LEU 5 N -3.95 0.83 -4.56 2.94 7.99 -0.56 -4.80 117.00 114.90 2k5r n LEU 5 Ca -0.11 -0.38 -0.38 0.00 -0.01 0.00 0.00 56.01 55.13 2k5r n LEU 5 Cb 0.84 -0.07 -0.03 0.00 -0.11 0.00 0.00 43.42 44.05 2k5r n LEU 5 CO 0.54 0.19 1.77 -0.76 -1.51 0.00 0.00 177.39 177.62 2k5r s LEU 6 N -1.35 3.37 0.44 2.23 1.43 -1.12 -4.81 118.68 118.87 2k5r s LEU 6 Ca 0.23 0.83 0.26 0.00 -1.03 0.00 0.00 54.13 54.41 2k5r s LEU 6 Cb 0.11 -2.70 0.66 0.00 0.03 0.00 0.00 46.19 44.29 2k5r s LEU 6 CO 0.17 -2.47 1.72 -0.74 0.23 0.00 0.00 176.35 175.27 2k5r h HIS 7 N 16.49 0.00 -2.46 0.29 -0.00 -1.93 -3.41 115.15 124.12 2k5r h HIS 7 Ca -0.27 0.00 -0.57 0.00 -0.00 0.00 0.00 60.37 59.53 2k5r h HIS 7 Cb 1.21 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 28.52 2k5r h HIS 7 CO 1.00 0.00 0.89 -0.51 -0.00 0.00 0.00 177.93 179.31 2k5r s LEU 8 N -5.99 3.57 0.01 0.26 2.01 -1.26 -5.00 118.68 112.27 2k5r s LEU 8 Ca 0.06 -0.63 -0.30 0.00 0.01 0.00 0.00 54.13 53.27 2k5r s LEU 8 Cb 0.07 -2.51 -0.05 0.00 0.01 0.00 0.00 46.19 43.70 2k5r s LEU 8 CO 0.62 -1.71 1.28 -0.22 1.01 0.00 0.00 176.35 177.34 2k5r s LEU 9 N 5.19 4.32 0.10 1.79 0.20 -1.26 -5.00 118.68 124.02 2k5r s LEU 9 Ca 0.31 2.01 -0.30 0.00 0.69 0.00 0.00 54.13 56.84 2k5r s LEU 9 Cb -0.11 -3.57 -0.06 0.00 -0.43 0.00 0.00 46.19 42.03 2k5r s LEU 9 CO 0.13 -0.60 1.01 0.00 -0.29 0.00 0.00 176.35 176.60 2k5r s SER 11 N 0.25 6.97 0.47 0.00 0.01 -1.26 -4.94 113.70 115.20 2k5r s SER 11 Ca 0.49 1.20 0.17 0.00 1.31 0.00 0.00 55.95 59.13 2k5r s SER 11 Cb -0.25 -2.47 1.15 0.00 0.21 0.00 0.00 66.02 64.65 2k5r s SER 11 CO 0.30 -0.49 2.00 -0.65 0.41 0.00 0.00 173.24 174.81 2k5r h PRO 12 N 7.43 0.26 0.00 12.44 0.11 -2.03 -1.44 132.00 148.78 2k5r h PRO 12 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2k5r h PRO 12 Cb 1.11 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2k5r h PRO 12 CO 0.88 0.17 0.00 -0.40 -0.21 0.00 0.00 178.00 178.44 2k5r n ASP 13 N -4.45 0.11 -0.76 -2.05 5.75 -1.26 -1.00 116.55 112.88 2k5r n ASP 13 Ca 0.09 0.54 0.03 0.00 -0.01 0.00 0.00 54.79 55.44 2k5r n ASP 13 Cb 0.41 -0.56 0.13 0.00 -1.03 0.00 0.00 41.12 40.08 2k5r n ASP 13 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2k5r n THR 14 N -1.63 0.69 -1.66 2.12 -2.24 -0.54 -4.93 114.28 106.09 2k5r n THR 14 Ca 0.01 -0.43 -0.47 0.00 -2.27 0.00 0.00 64.05 60.89 2k5r n THR 14 Cb 0.09 -0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.12 2k5r n THR 14 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2k5r n ARG 15 N 0.24 1.95 -4.64 -0.78 1.85 -0.17 -5.00 116.66 110.11 2k5r n ARG 15 Ca 0.09 0.70 -0.25 0.00 -1.00 0.00 0.00 57.85 57.40 2k5r n ARG 15 Cb 0.42 -2.45 -0.14 0.00 -1.05 0.00 0.00 32.46 29.23 2k5r n ARG 15 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2k5r s GLN 16 N 1.13 1.35 0.00 2.89 -1.52 -1.26 -5.09 119.66 117.15 2k5r s GLN 16 Ca 0.81 -0.88 0.00 0.00 -1.95 0.00 0.00 55.36 53.34 2k5r s GLN 16 Cb -0.74 -1.43 0.00 0.00 -0.22 0.00 0.00 33.01 30.62 2k5r s GLN 16 CO 0.41 0.37 0.00 -2.30 -0.25 0.00 0.00 175.29 173.52 2k5r n PRO 17 N 1.95 -0.68 -1.98 2.91 -0.02 -1.26 -3.69 135.00 132.23 2k5r n PRO 17 Ca -0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.89 2k5r n PRO 17 Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.99 2k5r n PRO 17 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2k5r s LEU 18 N 0.00 4.18 0.29 2.45 1.43 -1.26 -4.40 118.68 121.36 2k5r s LEU 18 Ca 0.00 2.10 0.08 0.00 -1.03 0.00 0.00 54.13 55.28 2k5r s LEU 18 Cb 0.00 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 2k5r s LEU 18 CO 0.00 -1.08 0.16 -0.44 0.23 0.00 0.00 176.35 175.22 2k5r s SER 19 N 3.94 5.09 -0.03 2.29 0.01 -0.41 -4.88 113.70 119.72 2k5r s SER 19 Ca 0.76 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 57.23 2k5r s SER 19 Cb -0.32 -1.06 -0.06 0.00 0.21 0.00 0.00 66.02 64.79 2k5r s SER 19 CO 0.31 -0.14 1.56 -0.22 0.41 0.00 0.00 173.24 175.15 2k5r s LEU 20 N -3.84 4.31 -0.05 2.44 1.98 -1.26 -0.08 118.68 122.19 2k5r s LEU 20 Ca 0.35 2.20 -0.30 0.00 -2.89 0.00 0.00 54.13 53.49 2k5r s LEU 20 Cb -0.06 -3.55 -0.04 0.00 0.66 0.00 0.00 46.19 43.20 2k5r s LEU 20 CO 0.24 -0.86 1.39 -0.22 -1.89 0.00 0.00 176.35 175.01 2k5r s LEU 21 N 3.37 4.29 0.56 -0.68 2.96 -0.44 -4.74 118.68 124.00 2k5r s LEU 21 Ca 0.70 2.02 -0.20 0.00 -0.22 0.00 0.00 54.13 56.42 2k5r s LEU 21 Cb -0.33 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.75 2k5r s LEU 21 CO 0.28 -0.74 1.06 -1.84 -1.32 0.00 0.00 176.35 173.78 2k5r n GLU 22 N 5.86 1.15 -0.22 1.98 0.28 -1.26 -4.64 120.64 123.79 2k5r n GLU 22 Ca 0.14 0.43 0.01 0.00 -0.16 0.00 0.00 57.16 57.58 2k5r n GLU 22 Cb 0.44 -2.23 0.12 0.00 1.43 0.00 0.00 31.44 31.20 2k5r n GLU 22 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2k5r h SER 23 N 0.87 0.26 -0.98 -1.84 4.64 -1.98 0.16 113.55 114.69 2k5r h SER 23 Ca -0.48 0.08 0.09 0.00 -0.47 0.00 0.00 61.79 61.01 2k5r h SER 23 Cb 1.35 0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 63.42 2k5r h SER 23 CO 0.53 0.14 0.63 0.50 -0.87 0.00 0.00 176.83 177.77 2k5r h LYS 24 N 0.44 1.04 -0.02 4.77 1.63 -2.00 -0.42 116.57 122.01 2k5r h LYS 24 Ca 0.33 -0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 59.96 2k5r h LYS 24 Cb 0.42 -0.23 0.01 0.00 -0.60 0.00 0.00 32.23 31.82 2k5r h LYS 24 CO -0.32 0.69 -0.41 0.78 -3.45 0.00 0.00 179.45 176.74 2k5r h GLY 25 N 1.07 0.35 0.39 5.01 0.00 -1.66 -3.27 103.07 104.96 2k5r h GLY 25 Ca 0.45 -0.57 0.11 0.00 0.00 0.00 0.00 47.33 47.32 2k5r h GLY 25 CO -0.20 0.51 0.41 -2.00 0.00 0.00 0.00 176.54 175.25 2k5r h LEU 26 N -0.26 0.52 -1.35 3.11 5.85 -0.08 0.74 115.31 123.85 2k5r h LEU 26 Ca -0.05 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2k5r h LEU 26 Cb 1.13 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2k5r h LEU 26 CO 0.08 0.27 -0.17 1.05 -0.34 0.00 0.00 178.44 179.34 2k5r h GLU 27 N 0.65 0.22 -0.29 1.25 4.11 -1.23 -1.23 114.58 118.06 2k5r h GLU 27 Ca 0.40 -0.06 -0.07 0.00 0.07 0.00 0.00 59.36 59.70 2k5r h GLU 27 Cb 0.47 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2k5r h GLU 27 CO -0.30 0.40 -0.10 0.00 0.07 0.00 0.00 179.01 179.08 2k5r h ALA 28 N 1.62 0.41 0.22 1.06 0.00 -0.96 -0.87 119.26 120.74 2k5r h ALA 28 Ca 0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2k5r h ALA 28 Cb 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2k5r h ALA 28 CO 0.03 0.25 -0.17 -0.07 0.00 0.00 0.00 179.25 179.29 2k5r h LEU 29 N 0.34 -0.44 -0.92 0.00 -0.00 -0.92 -1.34 115.31 112.03 2k5r h LEU 29 Ca 0.07 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2k5r h LEU 29 Cb 0.60 0.15 -0.04 0.00 -0.00 0.00 0.00 40.66 41.36 2k5r h LEU 29 CO 0.03 -0.27 0.59 0.78 -0.00 0.00 0.00 178.44 179.58 2k5r h ASN 30 N -0.40 1.07 -0.83 -0.43 2.35 -1.24 -0.15 115.58 115.95 2k5r h ASN 30 Ca -0.01 -0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2k5r h ASN 30 Cb 0.36 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 2k5r h ASN 30 CO -0.01 0.79 0.55 0.11 -1.65 0.00 0.00 177.43 177.21 2k5r h LYS 31 N 1.25 1.08 -0.45 0.81 1.57 -1.01 -0.22 116.57 119.61 2k5r h LYS 31 Ca 0.33 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.93 2k5r h LYS 31 Cb -0.12 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 31.93 2k5r h LYS 31 CO -0.07 0.72 -0.20 0.00 -0.57 0.00 0.00 179.45 179.33 2k5r h ALA 32 N 1.49 0.80 -0.06 3.86 0.00 -0.30 -1.58 119.26 123.47 2k5r h ALA 32 Ca 0.31 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k5r h ALA 32 Cb -0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2k5r h ALA 32 CO -0.07 0.65 0.04 0.82 0.00 0.00 0.00 179.25 180.69 2k5r h ILE 33 N 0.78 1.01 0.00 0.00 2.04 -0.47 -2.25 117.51 118.62 2k5r h ILE 33 Ca 0.11 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 2k5r h ILE 33 Cb 0.74 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2k5r h ILE 33 CO 0.06 0.01 -0.12 0.58 0.00 0.00 0.00 178.15 178.69 2k5r h VAL 34 N 0.08 1.08 0.00 1.67 2.07 -0.98 -0.70 116.25 119.46 2k5r h VAL 34 Ca 0.02 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2k5r h VAL 34 Cb -0.01 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2k5r h VAL 34 CO -0.01 0.11 0.00 -1.28 0.02 0.00 0.00 177.57 176.42 2k5r h SER 35 N 0.00 0.00 -3.01 0.57 0.87 -0.82 -3.47 113.55 107.69 2k5r h SER 35 Ca -0.00 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.25 2k5r h SER 35 Cb 0.20 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.19 2k5r h SER 35 CO 0.01 0.00 -0.43 0.61 -0.53 0.00 0.00 176.83 176.49 2k5r n GLY 36 N 0.35 -0.23 0.76 5.77 0.00 -0.27 -4.91 105.19 106.66 2k5r n GLY 36 Ca 0.02 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.13 1.69 -4.86 2.61 5.66 -1.16 -5.00 114.28 109.09 2k5r n THR 37 Ca -0.12 -1.48 -0.33 0.00 -3.05 0.00 0.00 64.05 59.07 2k5r n THR 37 Cb 0.61 0.09 -0.14 0.00 -1.55 0.00 0.00 70.33 69.34 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 -1.99 2.95 -0.19 1.08 1.01 -1.26 -4.68 120.40 117.33 2k5r s VAL 38 Ca 0.33 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2k5r s VAL 38 Cb 0.24 -2.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 2k5r s VAL 38 CO 0.12 0.55 -0.11 -1.10 0.00 0.00 0.00 175.10 174.56 2k5r s GLN 39 N -0.02 3.27 0.71 2.72 1.11 -1.26 -0.07 119.66 126.11 2k5r s GLN 39 Ca -0.04 -0.70 -0.15 0.00 0.01 0.00 0.00 55.36 54.49 2k5r s GLN 39 Cb -0.14 -2.79 0.03 0.00 -1.01 0.00 0.00 33.01 29.09 2k5r s GLN 39 CO 0.04 -0.10 1.15 -0.98 0.01 0.00 0.00 175.29 175.41 2k5r s ARG 40 N 1.14 2.40 0.57 2.91 1.70 0.71 -4.41 118.95 123.98 2k5r s ARG 40 Ca 0.01 1.55 0.27 0.00 -0.47 0.00 0.00 55.73 57.09 2k5r s ARG 40 Cb -0.14 -1.89 1.56 0.00 -0.57 0.00 0.00 34.95 33.91 2k5r s ARG 40 CO -0.03 -1.59 2.07 0.00 -1.08 0.00 0.00 175.30 174.67 2k5r h ALA 41 N -0.25 1.99 0.00 7.88 0.00 -1.07 0.19 119.26 127.99 2k5r h ALA 41 Ca -0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2k5r h ALA 41 Cb 1.27 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2k5r h ALA 41 CO 0.51 -0.37 -0.01 0.22 0.00 0.00 0.00 179.25 179.61 2k5r h ASP 42 N 0.00 0.00 -0.26 0.00 3.58 -1.75 -3.47 116.42 114.53 2k5r h ASP 42 Ca 0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2k5r h ASP 42 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 2k5r h ASP 42 CO -0.00 0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.98 2k5r n GLY 43 N -0.69 0.58 3.41 -0.78 0.00 0.67 -5.12 105.19 103.26 2k5r n GLY 43 Ca -0.02 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.42 -0.48 -0.11 1.61 0.15 -1.23 -4.97 113.70 107.26 2k5r s SER 44 Ca 0.00 0.28 -0.29 0.00 0.70 0.00 0.00 55.95 56.64 2k5r s SER 44 Cb 0.00 0.49 -0.05 0.00 -1.71 0.00 0.00 66.02 64.75 2k5r s SER 44 CO 0.00 -0.69 1.77 -0.63 1.20 0.00 0.00 173.24 174.90 2k5r s ILE 45 N -2.15 3.44 -0.85 6.45 -1.09 -1.26 -0.21 121.20 125.53 2k5r s ILE 45 Ca -0.07 0.51 -0.25 0.00 -2.23 0.00 0.00 60.65 58.61 2k5r s ILE 45 Cb -0.01 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 2k5r s ILE 45 CO 0.01 -0.12 1.66 -1.58 -1.23 0.00 0.00 174.94 173.67 2k5r s GLN 46 N 4.61 3.00 0.00 2.79 2.00 0.90 -4.72 119.66 128.23 2k5r s GLN 46 Ca 0.79 -0.35 0.23 0.00 -2.00 0.00 0.00 55.36 54.03 2k5r s GLN 46 Cb -0.32 -4.85 0.06 0.00 0.80 0.00 0.00 33.01 28.70 2k5r s GLN 46 CO 0.32 -2.67 1.14 0.09 -0.50 0.00 0.00 175.29 173.67 2k5r n ASN 47 N 11.35 2.20 -4.47 6.67 3.02 -1.26 -4.63 115.26 128.14 2k5r n ASN 47 Ca 0.27 -1.60 -0.43 0.00 -0.03 0.00 0.00 54.58 52.79 2k5r n ASN 47 Cb 0.50 0.37 -0.05 0.00 -0.61 0.00 0.00 39.78 39.99 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 -2.38 3.18 0.19 3.52 1.11 -1.26 -4.90 119.66 119.11 2k5r s GLN 48 Ca 0.21 -0.70 -0.30 0.00 0.01 0.00 0.00 55.36 54.57 2k5r s GLN 48 Cb 0.19 -4.14 -0.09 0.00 -1.01 0.00 0.00 33.01 27.95 2k5r s GLN 48 CO 0.52 -1.55 1.33 -1.54 0.01 0.00 0.00 175.29 174.06 2k5r s SER 49 N 3.18 6.87 -0.18 5.90 1.04 -1.26 -5.02 113.70 124.23 2k5r s SER 49 Ca 0.22 2.41 -0.07 0.00 0.48 0.00 0.00 55.95 58.99 2k5r s SER 49 Cb -0.17 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.31 2k5r s SER 49 CO 0.13 -0.55 0.06 -1.48 0.98 0.00 0.00 173.24 172.38 2k5r s LEU 50 N 0.01 3.80 0.15 2.42 0.05 -1.26 -4.99 118.68 118.85 2k5r s LEU 50 Ca 0.58 0.09 0.06 0.00 0.05 0.00 0.00 54.13 54.90 2k5r s LEU 50 Cb -0.37 -1.96 -0.10 0.00 -2.05 0.00 0.00 46.19 41.72 2k5r s LEU 50 CO 0.38 0.19 1.33 0.45 -0.55 0.00 0.00 176.35 178.15 2k5r h HIS 51 N 6.59 0.08 -4.05 3.48 3.86 -1.96 -3.45 115.15 119.71 2k5r h HIS 51 Ca -0.38 -0.05 -0.41 0.00 -1.16 0.00 0.00 60.37 58.37 2k5r h HIS 51 Cb 1.17 -0.01 -0.27 0.00 1.06 0.00 0.00 27.41 29.37 2k5r h HIS 51 CO 0.57 0.96 -0.78 -1.21 0.86 0.00 0.00 177.93 178.32 2k5r s GLU 52 N -2.92 0.85 0.18 2.45 8.01 -1.26 -5.10 118.70 120.90 2k5r s GLU 52 Ca -0.00 -0.54 0.00 0.00 0.01 0.00 0.00 54.97 54.43 2k5r s GLU 52 Cb 0.10 -0.81 -0.04 0.00 -4.31 0.00 0.00 34.13 29.06 2k5r s GLU 52 CO 0.82 0.21 0.06 0.00 0.01 0.00 0.00 175.26 176.36 2k5r s ALA 53 N -0.56 1.19 -0.15 5.21 0.00 -1.26 -1.64 121.76 124.54 2k5r s ALA 53 Ca 0.02 -1.61 0.02 0.00 0.00 0.00 0.00 51.96 50.39 2k5r s ALA 53 Cb -0.06 0.91 0.01 0.00 0.00 0.00 0.00 23.12 23.99 2k5r s ALA 53 CO 0.00 -0.46 -0.21 -0.51 0.00 0.00 0.00 175.76 174.59 2k5r s LEU 54 N -3.14 2.07 -0.05 0.00 1.43 0.20 -1.32 118.68 117.86 2k5r s LEU 54 Ca 0.29 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 52.76 2k5r s LEU 54 Cb 0.07 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 2k5r s LEU 54 CO 0.06 0.05 0.12 -0.51 0.23 0.00 0.00 176.35 176.31 2k5r s ILE 55 N 0.94 5.14 0.53 -0.59 1.10 0.88 -0.00 121.20 129.20 2k5r s ILE 55 Ca -0.04 -0.13 -0.09 0.00 -0.51 0.00 0.00 60.65 59.88 2k5r s ILE 55 Cb -0.15 -3.31 -0.04 0.00 0.15 0.00 0.00 42.46 39.10 2k5r s ILE 55 CO -0.04 0.45 0.89 0.42 -2.11 0.00 0.00 174.94 174.55 2k5r s THR 56 N -1.15 4.79 0.42 4.00 -4.23 -0.93 -1.28 115.64 117.25 2k5r s THR 56 Ca 0.21 0.58 0.17 0.00 -1.18 0.00 0.00 61.69 61.46 2k5r s THR 56 Cb -0.12 -3.85 0.37 0.00 1.34 0.00 0.00 72.50 70.25 2k5r s THR 56 CO 0.11 -0.93 1.87 -0.09 -0.54 0.00 0.00 174.62 175.04 2k5r h ARG 57 N 0.15 0.40 -0.07 3.99 9.65 -1.77 -1.40 114.38 125.33 2k5r h ARG 57 Ca -0.46 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 2k5r h ARG 57 Cb 1.20 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 2k5r h ARG 57 CO 0.62 0.27 0.00 -0.25 2.80 0.00 0.00 179.97 183.41 2k5r n ASP 58 N -4.50 1.75 -3.76 -3.80 9.92 -1.26 -4.93 116.55 109.96 2k5r n ASP 58 Ca 0.18 -1.62 -0.24 0.00 -0.53 0.00 0.00 54.79 52.58 2k5r n ASP 58 Cb 0.65 -0.04 0.03 0.00 -0.64 0.00 0.00 41.12 41.13 2k5r n ASP 58 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2k5r n ARG 59 N 0.37 -5.26 -0.03 -1.24 5.12 -0.53 -4.88 116.66 110.20 2k5r n ARG 59 Ca 0.18 0.62 -0.04 0.00 -1.93 0.00 0.00 57.85 56.69 2k5r n ARG 59 Cb 0.38 -5.32 -0.04 0.00 -1.16 0.00 0.00 32.46 26.32 2k5r n ARG 59 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2k5r n LYS 60 N -4.43 2.20 -4.07 5.56 2.85 -1.26 -4.89 118.16 114.11 2k5r n LYS 60 Ca -0.18 0.01 -0.10 0.00 -1.05 0.00 0.00 58.31 56.99 2k5r n LYS 60 Cb 0.62 -1.16 -0.11 0.00 -0.65 0.00 0.00 35.03 33.74 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 -2.15 0.55 -0.10 -1.58 -0.21 -1.26 -2.31 119.66 112.61 2k5r s GLN 61 Ca -0.05 -0.93 -0.01 0.00 0.02 0.00 0.00 55.36 54.39 2k5r s GLN 61 Cb 0.02 -0.07 0.03 0.00 1.00 0.00 0.00 33.01 33.98 2k5r s GLN 61 CO 0.23 -0.02 -0.04 0.08 -2.12 0.00 0.00 175.29 173.42 2k5r s VAL 62 N -2.36 0.75 0.62 1.09 1.01 0.46 -2.20 120.40 119.77 2k5r s VAL 62 Ca -0.04 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2k5r s VAL 62 Cb -0.03 -0.83 0.09 0.00 0.00 0.00 0.00 36.38 35.61 2k5r s VAL 62 CO -0.03 0.32 0.86 -0.36 0.00 0.00 0.00 175.10 175.89 2k5r s PHE 63 N 1.82 1.71 0.10 5.22 0.40 0.99 0.05 117.98 128.27 2k5r s PHE 63 Ca 0.05 -0.46 0.07 0.00 -0.60 0.00 0.00 56.93 56.00 2k5r s PHE 63 Cb -0.12 -2.59 -0.04 0.00 0.51 0.00 0.00 43.02 40.77 2k5r s PHE 63 CO -0.07 -1.30 -0.13 0.50 0.70 0.00 0.00 175.22 174.92 2k5r s ARG 64 N -4.84 2.04 -0.17 0.44 3.52 -1.26 -0.63 118.95 118.05 2k5r s ARG 64 Ca 0.63 -1.05 -0.00 0.00 -0.13 0.00 0.00 55.73 55.17 2k5r s ARG 64 Cb -0.06 -2.25 -0.00 0.00 -1.56 0.00 0.00 34.95 31.08 2k5r s ARG 64 CO 0.41 0.51 -0.14 0.42 -0.81 0.00 0.00 175.30 175.69 2k5r s ILE 65 N -1.16 2.74 -0.12 4.11 1.01 -0.65 -0.97 121.20 126.15 2k5r s ILE 65 Ca 0.20 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 2k5r s ILE 65 Cb -0.11 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 2k5r s ILE 65 CO 0.12 0.50 0.05 -0.70 0.00 0.00 0.00 174.94 174.91 2k5r s GLU 66 N 0.96 3.41 1.35 2.79 2.56 -0.73 -4.42 118.70 124.62 2k5r s GLU 66 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.97 54.61 2k5r s GLU 66 Cb -0.15 -3.01 0.00 0.00 2.00 0.00 0.00 34.13 32.97 2k5r s GLU 66 CO -0.02 0.57 0.00 -3.47 -0.56 0.00 0.00 175.26 171.78 2k5r n ASP 67 N 2.58 0.00 -0.04 -1.70 -0.08 -1.26 -0.46 116.55 115.58 2k5r n ASP 67 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 2k5r n ASP 67 Cb 0.53 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 2k5r n ASP 67 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2k5r n SER 68 N 2.33 0.00 -4.47 1.67 7.64 -1.26 -5.03 113.62 114.50 2k5r n SER 68 Ca 0.00 -1.06 -0.34 0.00 1.01 0.00 0.00 58.87 58.49 2k5r n SER 68 Cb 0.00 -0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.06 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 0.00 3.77 -0.20 0.44 -1.09 0.39 -5.07 121.20 119.44 2k5r s ILE 69 Ca 0.00 -0.40 -0.29 0.00 -2.23 0.00 0.00 60.65 57.73 2k5r s ILE 69 Cb 0.00 -2.65 -0.05 0.00 -1.58 0.00 0.00 42.46 38.19 2k5r s ILE 69 CO 0.00 0.49 2.02 -2.84 -1.23 0.00 0.00 174.94 173.39 2k5r s PRO 70 N 0.41 3.42 -0.64 2.79 0.02 -1.26 -1.77 135.00 137.96 2k5r s PRO 70 Ca -0.05 1.97 -0.25 0.00 0.02 0.00 0.00 61.00 62.69 2k5r s PRO 70 Cb -0.14 -4.26 0.04 0.00 0.02 0.00 0.00 34.50 30.16 2k5r s PRO 70 CO 0.03 -1.77 1.08 0.08 -0.33 0.00 0.00 177.00 176.10 2k5r s VAL 71 N 7.01 4.12 -1.32 3.83 1.01 -0.15 -4.88 120.40 130.03 2k5r s VAL 71 Ca 0.91 0.23 0.07 0.00 0.00 0.00 0.00 61.98 63.19 2k5r s VAL 71 Cb -0.32 -4.72 0.27 0.00 0.00 0.00 0.00 36.38 31.61 2k5r s VAL 71 CO 0.35 -1.46 1.07 0.18 0.00 0.00 0.00 175.10 175.24 2k5r n LEU 72 N 8.24 2.12 -4.64 3.92 4.77 -1.26 -4.07 117.00 126.08 2k5r n LEU 72 Ca 0.02 -1.07 -0.43 0.00 -0.03 0.00 0.00 56.01 54.50 2k5r n LEU 72 Cb 0.48 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2k5r n LEU 72 CO 0.67 0.37 0.90 -0.76 -1.33 0.00 0.00 177.39 177.25 2k5r s LEU 73 N -1.00 4.01 0.64 2.23 1.43 -1.26 -4.92 118.68 119.80 2k5r s LEU 73 Ca 0.19 1.14 0.33 0.00 -1.03 0.00 0.00 54.13 54.75 2k5r s LEU 73 Cb 0.12 -3.49 1.80 0.00 0.03 0.00 0.00 46.19 44.65 2k5r s LEU 73 CO 0.09 -0.77 2.06 1.55 0.23 0.00 0.00 176.35 179.51 2k5r h PRO 74 N 7.85 0.00 -0.06 1.29 0.13 -1.97 -0.64 132.00 138.60 2k5r h PRO 74 Ca -0.20 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.88 2k5r h PRO 74 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2k5r h PRO 74 CO 1.00 0.00 -0.19 1.05 -0.23 0.00 0.00 178.00 179.63 2k5r h GLU 75 N 0.00 0.09 -0.18 0.86 4.11 -1.93 -1.74 114.58 115.80 2k5r h GLU 75 Ca 0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2k5r h GLU 75 Cb 0.53 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2k5r h GLU 75 CO -0.00 0.28 0.00 0.39 0.07 0.00 0.00 179.01 179.75 2k5r n GLU 76 N -4.27 1.92 -2.65 1.06 -0.58 -0.25 -3.77 120.64 112.10 2k5r n GLU 76 Ca -0.02 -1.38 -0.38 0.00 -0.42 0.00 0.00 57.16 54.96 2k5r n GLU 76 Cb 0.27 -1.44 -0.05 0.00 -0.57 0.00 0.00 31.44 29.66 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 -1.78 3.24 -0.09 0.62 0.00 -0.65 -4.02 121.76 119.08 2k5r s ALA 77 Ca 0.34 0.66 0.04 0.00 0.00 0.00 0.00 51.96 53.00 2k5r s ALA 77 Cb 0.19 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 2k5r s ALA 77 CO 0.29 0.01 -0.22 0.42 0.00 0.00 0.00 175.76 176.25 2k5r s ILE 78 N -1.46 2.25 -0.13 0.00 -1.09 0.11 -0.67 121.20 120.20 2k5r s ILE 78 Ca 0.50 -0.97 -0.20 0.00 -2.23 0.00 0.00 60.65 57.74 2k5r s ILE 78 Cb -0.23 -1.86 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 2k5r s ILE 78 CO 0.30 0.56 0.57 0.00 -1.23 0.00 0.00 174.94 175.14 2k5r s ALA 79 N 0.11 3.46 0.57 9.38 0.00 -1.26 -0.41 121.76 133.61 2k5r s ALA 79 Ca -0.11 -0.15 0.36 0.00 0.00 0.00 0.00 51.96 52.06 2k5r s ALA 79 Cb -0.16 -2.82 1.98 0.00 0.00 0.00 0.00 23.12 22.13 2k5r s ALA 79 CO 0.06 -0.20 2.26 1.79 0.00 0.00 0.00 175.76 179.67 2k5r h THR 80 N 4.88 0.30 0.00 0.00 1.35 -1.82 -0.66 112.91 116.96 2k5r h THR 80 Ca -0.38 -0.11 -0.02 0.00 -0.55 0.00 0.00 66.41 65.34 2k5r h THR 80 Cb 1.17 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2k5r h THR 80 CO 0.76 0.02 -0.10 -0.29 -0.25 0.00 0.00 175.52 175.66 2k5r h ILE 81 N 0.00 0.51 -0.01 6.82 2.10 -1.93 -0.25 117.51 124.75 2k5r h ILE 81 Ca -0.00 -0.48 0.00 0.00 1.08 0.00 0.00 64.86 65.46 2k5r h ILE 81 Cb 0.08 1.32 0.00 0.00 -1.09 0.00 0.00 36.82 37.13 2k5r h ILE 81 CO 0.00 0.10 -0.15 0.00 -1.08 0.00 0.00 178.15 177.02 2k5r n GLN 82 N -3.60 0.76 -3.35 2.19 3.00 -0.26 -4.73 117.38 111.40 2k5r n GLN 82 Ca -0.02 -0.33 -0.45 0.00 -0.01 0.00 0.00 57.00 56.19 2k5r n GLN 82 Cb 0.22 -1.49 -0.05 0.00 0.00 0.00 0.00 30.24 28.92 2k5r n GLN 82 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2k5r s ILE 83 N -2.47 5.08 0.02 5.09 -1.09 -0.11 -4.23 121.20 123.50 2k5r s ILE 83 Ca 0.28 -1.58 0.32 0.00 -2.23 0.00 0.00 60.65 57.44 2k5r s ILE 83 Cb 0.20 -4.26 0.37 0.00 -1.58 0.00 0.00 42.46 37.18 2k5r s ILE 83 CO 0.48 -0.86 1.95 0.00 -1.23 0.00 0.00 174.94 175.28 2k5r h ALA 84 N 8.78 1.00 -0.02 9.38 0.00 -1.85 -2.96 119.26 133.59 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 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2k5r h ALA 84 CO 1.00 0.00 -0.12 0.09 0.00 0.00 0.00 179.25 180.22 2k5r n ASN 85 N -2.94 2.17 -4.73 0.00 3.02 -1.26 -4.97 115.26 106.55 2k5r n ASN 85 Ca 0.01 -1.64 -0.42 0.00 -0.03 0.00 0.00 54.58 52.50 2k5r n ASN 85 Cb 0.28 0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.53 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 -2.15 2.91 0.52 3.10 5.36 -1.12 -4.83 117.98 121.76 2k5r s PHE 86 Ca 0.29 0.48 -0.22 0.00 -0.96 0.00 0.00 56.93 56.51 2k5r s PHE 86 Cb 0.20 -4.09 -0.07 0.00 -0.34 0.00 0.00 43.02 38.72 2k5r s PHE 86 CO 0.39 -4.02 1.12 -2.30 -1.46 0.00 0.00 175.22 168.95 2k5r n PRO 87 N 3.65 1.37 -1.51 10.12 -0.02 -1.26 -4.81 135.00 142.55 2k5r n PRO 87 Ca 0.14 0.50 -0.45 0.00 -2.02 0.00 0.00 63.50 61.67 2k5r n PRO 87 Cb 0.36 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 2k5r n PRO 87 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2k5r n ASP 88 N -0.37 2.32 -4.61 2.55 5.75 -1.26 -4.89 116.55 116.04 2k5r n ASP 88 Ca 0.11 0.17 -0.43 0.00 -0.01 0.00 0.00 54.79 54.63 2k5r n ASP 88 Cb 0.43 -1.37 -0.02 0.00 -1.03 0.00 0.00 41.12 39.13 2k5r n ASP 88 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2k5r s LYS 89 N 6.84 3.78 -1.23 0.11 -2.85 -1.26 -4.94 119.74 120.19 2k5r s LYS 89 Ca 1.07 0.90 -0.18 0.00 -1.00 0.00 0.00 55.97 56.76 2k5r s LYS 89 Cb -0.63 -3.90 -0.01 0.00 -2.06 0.00 0.00 37.83 31.23 2k5r s LYS 89 CO 0.41 -1.29 1.97 -0.11 0.10 0.00 0.00 175.35 176.43 2k5r n LEU 90 N 7.89 5.10 -4.92 2.77 7.94 -1.26 -4.94 117.00 129.58 2k5r n LEU 90 Ca 0.14 -3.67 -0.31 0.00 -1.11 0.00 0.00 56.01 51.05 2k5r n LEU 90 Cb 0.48 -1.60 -0.04 0.00 0.53 0.00 0.00 43.42 42.79 2k5r n LEU 90 CO 0.67 0.04 -0.15 -0.70 -1.11 0.00 0.00 177.39 176.14 2k5r s GLU 91 N 4.41 3.44 -0.13 1.96 2.12 -1.26 -5.11 118.70 124.13 2k5r s GLU 91 Ca 0.55 -0.42 -0.04 0.00 0.36 0.00 0.00 54.97 55.41 2k5r s GLU 91 Cb 0.08 -3.05 0.07 0.00 0.26 0.00 0.00 34.13 31.49 2k5r s GLU 91 CO 0.04 0.62 0.25 -1.58 -0.54 0.00 0.00 175.26 174.05 2k5r s HIS 92 N -1.48 -0.39 -0.43 5.30 5.65 -1.26 -4.90 115.29 117.78 2k5r s HIS 92 Ca 0.34 0.86 0.00 0.00 0.25 0.00 0.00 55.06 56.51 2k5r s HIS 92 Cb -0.13 -0.09 0.00 0.00 -1.18 0.00 0.00 32.58 31.18 2k5r s HIS 92 CO 0.26 -0.37 0.00 0.72 -0.65 0.00 0.00 174.74 174.70 2k5r n HIS 93 N 5.35 0.00 0.36 3.88 8.25 -1.26 -4.85 115.22 126.94 2k5r n HIS 93 Ca -0.06 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.54 2k5r n HIS 93 Cb 0.50 -1.84 0.37 0.00 1.12 0.00 0.00 29.99 30.14 2k5r n HIS 93 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2k5r h HIS 94 N 0.00 0.00 -3.64 4.41 6.17 -2.02 -3.38 115.15 116.68 2k5r h HIS 94 Ca -0.08 0.00 -0.63 0.00 0.71 0.00 0.00 60.37 60.37 2k5r h HIS 94 Cb 0.83 0.00 -0.38 0.00 2.52 0.00 0.00 27.41 30.38 2k5r h HIS 94 CO 0.47 0.00 -0.77 -1.01 0.71 0.00 0.00 177.93 177.33 2k5r s HIS 95 N -3.29 2.72 -0.04 5.26 3.76 -1.26 -5.11 115.29 117.33 2k5r s HIS 95 Ca 0.06 -2.07 -0.01 0.00 -0.15 0.00 0.00 55.06 52.89 2k5r s HIS 95 Cb 0.08 -1.89 0.03 0.00 1.11 0.00 0.00 32.58 31.91 2k5r s HIS 95 CO 0.59 -0.83 0.02 -1.58 -0.85 0.00 0.00 174.74 172.09 2k5r s HIS 96 N 1.28 0.29 -2.28 1.40 2.46 -1.26 -5.15 115.29 112.03 2k5r s HIS 96 Ca -0.02 0.05 0.30 0.00 0.47 0.00 0.00 55.06 55.86 2k5r s HIS 96 Cb -0.19 -0.50 1.43 0.00 -0.13 0.00 0.00 32.58 33.19 2k5r s HIS 96 CO -0.08 -0.19 1.96 1.58 -2.47 0.00 0.00 174.74 175.54