#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 3.44 -0.28 7.83 8.00 -1.26 -4.51 116.55 129.77 2k5r n ASP 2 Ca 0.00 -2.63 0.16 0.00 0.71 0.00 0.00 54.79 53.03 2k5r n ASP 2 Cb 0.00 -0.65 0.43 0.00 -0.02 0.00 0.00 41.12 40.88 2k5r n ASP 2 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2k5r h ARG 3 N 0.43 0.55 0.00 -1.24 0.11 -2.07 0.85 114.38 113.02 2k5r h ARG 3 Ca 0.24 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.26 2k5r h ARG 3 Cb 1.67 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 32.62 2k5r h ARG 3 CO 0.43 0.37 -0.11 1.57 0.10 0.00 0.00 179.97 182.32 2k5r h LYS 4 N 0.57 0.00 -0.00 0.08 2.10 -2.06 -2.68 116.57 114.58 2k5r h LYS 4 Ca 0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 2k5r h LYS 4 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 2k5r h LYS 4 CO -0.24 0.11 -0.25 1.28 -2.00 0.00 0.00 179.45 178.35 2k5r n LEU 5 N -3.24 0.43 -0.05 7.07 7.99 0.28 -3.92 117.00 125.55 2k5r n LEU 5 Ca 0.01 0.10 0.14 0.00 -0.01 0.00 0.00 56.01 56.25 2k5r n LEU 5 Cb 0.39 -0.28 0.66 0.00 -0.11 0.00 0.00 43.42 44.07 2k5r n LEU 5 CO 0.31 0.09 0.92 0.18 -1.51 0.00 0.00 177.39 177.38 2k5r n LEU 6 N -1.27 0.25 0.09 2.23 4.77 -1.01 -4.24 117.00 117.81 2k5r n LEU 6 Ca 0.09 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 56.09 2k5r n LEU 6 Cb 0.32 -0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 2k5r n LEU 6 CO 0.29 0.05 0.71 -0.74 -1.33 0.00 0.00 177.39 176.37 2k5r h HIS 7 N 0.27 -0.18 0.00 -1.77 2.76 -1.73 -3.43 115.15 111.07 2k5r h HIS 7 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2k5r h HIS 7 Cb 0.34 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.36 2k5r h HIS 7 CO 0.00 0.05 0.00 1.28 -1.30 0.00 0.00 177.93 177.96 2k5r n LEU 8 N -5.08 0.01 -4.02 0.26 7.99 -1.26 -5.09 117.00 109.81 2k5r n LEU 8 Ca -0.09 0.00 -0.18 0.00 -0.01 0.00 0.00 56.01 55.74 2k5r n LEU 8 Cb 0.18 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.35 2k5r n LEU 8 CO 0.33 0.00 -0.43 -0.22 -1.51 0.00 0.00 177.39 175.57 2k5r s LEU 9 N -1.92 2.05 0.30 2.23 0.20 -1.26 -5.16 118.68 115.12 2k5r s LEU 9 Ca 0.00 -0.20 0.10 0.00 0.69 0.00 0.00 54.13 54.72 2k5r s LEU 9 Cb 0.00 -0.40 -0.06 0.00 -0.43 0.00 0.00 46.19 45.30 2k5r s LEU 9 CO 0.00 0.07 -0.14 0.00 -0.29 0.00 0.00 176.35 175.99 2k5r s SER 11 N -3.52 6.11 -1.36 0.00 1.04 -1.26 -5.04 113.70 109.66 2k5r s SER 11 Ca 0.30 0.21 -0.14 0.00 0.48 0.00 0.00 55.95 56.80 2k5r s SER 11 Cb -0.01 -1.83 0.08 0.00 0.10 0.00 0.00 66.02 64.37 2k5r s SER 11 CO 0.14 0.19 1.97 -0.81 0.98 0.00 0.00 173.24 175.72 2k5r n PRO 12 N 0.51 3.12 -0.22 4.02 -0.04 -1.26 -4.78 135.00 136.36 2k5r n PRO 12 Ca -0.07 -3.05 0.11 0.00 -0.04 0.00 0.00 63.50 60.44 2k5r n PRO 12 Cb 0.52 -3.26 0.39 0.00 -0.04 0.00 0.00 33.50 31.11 2k5r n PRO 12 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2k5r h ASP 13 N 6.46 0.60 0.78 3.54 5.19 -2.02 0.97 116.42 131.95 2k5r h ASP 13 Ca 0.49 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.92 2k5r h ASP 13 Cb 0.72 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.13 2k5r h ASP 13 CO 1.67 0.34 0.00 1.07 -3.12 0.00 0.00 179.24 179.21 2k5r n THR 14 N -4.51 0.77 -3.71 0.35 5.66 -1.26 -4.04 114.28 107.54 2k5r n THR 14 Ca 0.14 0.15 -0.28 0.00 -3.05 0.00 0.00 64.05 61.01 2k5r n THR 14 Cb 0.39 -0.97 -0.10 0.00 -1.55 0.00 0.00 70.33 68.09 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 -1.95 2.14 -4.25 1.09 0.63 0.34 -5.07 116.66 109.60 2k5r n ARG 15 Ca 0.03 -4.56 -0.15 0.00 -0.92 0.00 0.00 57.85 52.25 2k5r n ARG 15 Cb 0.25 -2.29 -0.10 0.00 0.45 0.00 0.00 32.46 30.77 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 -1.85 1.05 -0.32 -0.14 -1.52 -1.26 -4.85 119.66 110.77 2k5r s GLN 16 Ca 0.30 -1.38 -0.37 0.00 -1.95 0.00 0.00 55.36 51.97 2k5r s GLN 16 Cb 0.03 -0.73 -0.13 0.00 -0.22 0.00 0.00 33.01 31.96 2k5r s GLN 16 CO -0.11 0.11 2.06 -2.30 -0.25 0.00 0.00 175.29 174.80 2k5r n PRO 17 N 0.05 1.09 -3.11 2.91 -0.02 -1.26 -4.73 135.00 129.94 2k5r n PRO 17 Ca -0.12 0.34 -0.40 0.00 -2.02 0.00 0.00 63.50 61.30 2k5r n PRO 17 Cb 0.59 -2.31 -0.05 0.00 -0.02 0.00 0.00 33.50 31.71 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 6.08 4.23 0.32 2.45 1.43 -1.26 -3.32 118.68 128.61 2k5r s LEU 18 Ca 1.07 0.99 0.03 0.00 -1.03 0.00 0.00 54.13 55.18 2k5r s LEU 18 Cb -0.95 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 42.26 2k5r s LEU 18 CO 0.55 -0.18 0.08 -0.44 0.23 0.00 0.00 176.35 176.59 2k5r s SER 19 N 0.95 2.07 0.02 2.29 0.01 -0.94 -4.94 113.70 113.16 2k5r s SER 19 Ca 0.32 -1.42 -0.30 0.00 1.31 0.00 0.00 55.95 55.85 2k5r s SER 19 Cb -0.16 0.08 -0.06 0.00 0.21 0.00 0.00 66.02 66.08 2k5r s SER 19 CO 0.13 -0.69 1.51 -0.22 0.41 0.00 0.00 173.24 174.38 2k5r s LEU 20 N -3.45 4.33 0.24 2.44 1.98 -1.26 -0.42 118.68 122.54 2k5r s LEU 20 Ca 0.35 2.26 -0.31 0.00 -2.89 0.00 0.00 54.13 53.54 2k5r s LEU 20 Cb 0.08 -3.56 -0.12 0.00 0.66 0.00 0.00 46.19 43.25 2k5r s LEU 20 CO 0.15 -0.80 1.67 -0.22 -1.89 0.00 0.00 176.35 175.26 2k5r s LEU 21 N 2.62 4.36 0.15 -0.68 2.96 -0.35 -4.75 118.68 123.00 2k5r s LEU 21 Ca 0.68 2.89 -0.34 0.00 -0.22 0.00 0.00 54.13 57.14 2k5r s LEU 21 Cb -0.35 -3.61 -0.15 0.00 0.50 0.00 0.00 46.19 42.58 2k5r s LEU 21 CO 0.29 -0.95 1.45 1.21 -1.32 0.00 0.00 176.35 177.03 2k5r n GLU 22 N 3.37 1.75 -0.35 1.98 4.07 -1.26 -4.70 120.64 125.50 2k5r n GLU 22 Ca 0.13 0.63 0.11 0.00 -0.06 0.00 0.00 57.16 57.97 2k5r n GLU 22 Cb 0.36 -2.32 0.29 0.00 -0.06 0.00 0.00 31.44 29.71 2k5r n GLU 22 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2k5r h SER 23 N 5.06 0.78 0.28 4.31 0.87 -1.98 0.30 113.55 123.17 2k5r h SER 23 Ca -0.46 0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.13 2k5r h SER 23 Cb 1.29 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 2k5r h SER 23 CO 0.82 0.31 -0.29 0.11 -0.53 0.00 0.00 176.83 177.25 2k5r h LYS 24 N 0.79 0.03 0.03 2.24 1.79 -2.01 -1.12 116.57 118.32 2k5r h LYS 24 Ca 0.55 -0.01 -0.19 0.00 -2.18 0.00 0.00 60.65 58.82 2k5r h LYS 24 Cb 0.77 -0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.44 2k5r h LYS 24 CO -0.36 0.32 -0.75 0.78 -1.08 0.00 0.00 179.45 178.37 2k5r h GLY 25 N 0.91 0.50 0.74 3.86 0.00 -1.09 -3.36 103.07 104.64 2k5r h GLY 25 Ca 0.00 -0.94 0.09 0.00 0.00 0.00 0.00 47.33 46.48 2k5r h GLY 25 CO 0.04 0.83 0.58 -2.00 0.00 0.00 0.00 176.54 176.00 2k5r h LEU 26 N -0.05 0.84 -0.78 3.11 5.85 -0.02 -0.02 115.31 124.25 2k5r h LEU 26 Ca -0.10 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.71 2k5r h LEU 26 Cb 1.46 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.28 2k5r h LEU 26 CO 0.15 0.50 0.46 1.05 -0.34 0.00 0.00 178.44 180.26 2k5r h GLU 27 N 0.93 0.79 -0.79 1.25 4.11 -1.36 -2.17 114.58 117.34 2k5r h GLU 27 Ca 0.41 -0.05 0.02 0.00 0.07 0.00 0.00 59.36 59.81 2k5r h GLU 27 Cb 0.35 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2k5r h GLU 27 CO -0.17 0.52 0.52 0.00 0.07 0.00 0.00 179.01 179.95 2k5r h ALA 28 N 1.40 1.47 0.41 1.06 0.00 -1.14 0.21 119.26 122.67 2k5r h ALA 28 Ca 0.35 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2k5r h ALA 28 Cb 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2k5r h ALA 28 CO -0.20 0.48 -0.20 -0.07 0.00 0.00 0.00 179.25 179.26 2k5r h LEU 29 N 1.04 -0.47 -0.64 0.00 -0.00 -1.22 0.21 115.31 114.23 2k5r h LEU 29 Ca 0.30 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 58.11 2k5r h LEU 29 Cb -0.06 0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 40.69 2k5r h LEU 29 CO -0.07 -0.30 0.18 0.78 -0.00 0.00 0.00 178.44 179.03 2k5r h ASN 30 N -0.60 0.95 -0.64 -0.43 2.35 -1.03 0.95 115.58 117.12 2k5r h ASN 30 Ca -0.06 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2k5r h ASN 30 Cb 0.45 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 2k5r h ASN 30 CO 0.09 0.92 0.42 0.11 -1.65 0.00 0.00 177.43 177.32 2k5r h LYS 31 N 0.93 0.86 -0.01 0.81 1.57 -0.58 -1.12 116.57 119.02 2k5r h LYS 31 Ca 0.20 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.77 2k5r h LYS 31 Cb 0.33 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2k5r h LYS 31 CO -0.00 0.58 -0.71 0.00 -0.57 0.00 0.00 179.45 178.74 2k5r h ALA 32 N 1.58 0.79 0.01 3.86 0.00 -0.25 -2.17 119.26 123.09 2k5r h ALA 32 Ca 0.24 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2k5r h ALA 32 Cb -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2k5r h ALA 32 CO -0.05 0.85 -0.01 0.82 0.00 0.00 0.00 179.25 180.86 2k5r h ILE 33 N 0.06 1.07 -0.71 0.00 2.04 -0.03 0.14 117.51 120.08 2k5r h ILE 33 Ca -0.01 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.63 2k5r h ILE 33 Cb 1.26 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.53 2k5r h ILE 33 CO 0.10 0.06 0.47 0.58 0.00 0.00 0.00 178.15 179.36 2k5r h VAL 34 N -0.12 1.12 -0.08 1.67 2.07 -1.22 -0.22 116.25 119.46 2k5r h VAL 34 Ca -0.00 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 2k5r h VAL 34 Cb 0.12 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2k5r h VAL 34 CO 0.00 0.16 -0.30 -1.28 0.02 0.00 0.00 177.57 176.17 2k5r h SER 35 N 0.88 0.14 -0.36 0.57 0.87 -1.10 -3.48 113.55 111.08 2k5r h SER 35 Ca 0.28 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2k5r h SER 35 Cb 0.03 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2k5r h SER 35 CO -0.08 0.45 0.00 0.61 -0.53 0.00 0.00 176.83 177.28 2k5r n GLY 36 N -0.52 0.79 0.03 5.77 0.00 0.43 -4.98 105.19 106.72 2k5r n GLY 36 Ca -0.01 -0.66 0.04 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.85 0.00 -2.18 2.61 5.66 -0.89 -4.93 114.28 111.69 2k5r n THR 37 Ca 0.00 -0.31 -0.35 0.00 -3.05 0.00 0.00 64.05 60.34 2k5r n THR 37 Cb 0.41 1.02 -0.04 0.00 -1.55 0.00 0.00 70.33 70.17 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 -1.73 3.52 -0.40 1.08 1.01 -1.25 -4.87 120.40 117.76 2k5r s VAL 38 Ca 0.04 -0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.62 2k5r s VAL 38 Cb 0.07 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.22 2k5r s VAL 38 CO 0.33 -1.19 1.04 -1.10 0.00 0.00 0.00 175.10 174.18 2k5r s GLN 39 N 6.57 3.83 0.59 2.72 -0.21 -1.26 -0.91 119.66 130.98 2k5r s GLN 39 Ca 0.61 0.66 -0.19 0.00 0.02 0.00 0.00 55.36 56.45 2k5r s GLN 39 Cb -0.08 -3.84 -0.03 0.00 1.00 0.00 0.00 33.01 30.06 2k5r s GLN 39 CO 0.08 -1.12 1.26 0.50 -2.12 0.00 0.00 175.29 173.88 2k5r s ARG 40 N 3.90 2.94 0.58 2.91 3.52 0.09 -4.54 118.95 128.34 2k5r s ARG 40 Ca 0.43 1.97 0.28 0.00 -0.13 0.00 0.00 55.73 58.28 2k5r s ARG 40 Cb -0.10 -2.00 1.52 0.00 -1.56 0.00 0.00 34.95 32.81 2k5r s ARG 40 CO 0.23 -1.27 1.98 0.00 -0.81 0.00 0.00 175.30 175.44 2k5r h ALA 41 N 0.97 2.13 -0.45 6.12 0.00 -1.25 0.65 119.26 127.44 2k5r h ALA 41 Ca -0.51 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.48 2k5r h ALA 41 Cb 1.31 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 2k5r h ALA 41 CO 0.55 -0.57 -0.05 0.22 0.00 0.00 0.00 179.25 179.40 2k5r h ASP 42 N 0.00 -0.30 0.00 0.00 3.58 -1.75 -3.47 116.42 114.48 2k5r h ASP 42 Ca 0.18 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.75 2k5r h ASP 42 Cb 0.92 0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2k5r h ASP 42 CO -0.00 -0.10 0.00 0.61 -2.88 0.00 0.00 179.24 176.86 2k5r n GLY 43 N -1.31 3.48 3.83 -0.78 0.00 0.23 -5.12 105.19 105.51 2k5r n GLY 43 Ca 0.04 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.05 5.94 0.12 1.61 0.15 -1.26 -4.56 113.70 115.65 2k5r s SER 44 Ca 0.00 1.61 -0.30 0.00 0.70 0.00 0.00 55.95 57.96 2k5r s SER 44 Cb 0.00 -2.50 -0.07 0.00 -1.71 0.00 0.00 66.02 61.74 2k5r s SER 44 CO 0.00 -1.06 1.15 -0.63 1.20 0.00 0.00 173.24 173.90 2k5r s ILE 45 N -2.84 3.93 -0.74 6.45 -1.09 -1.26 -0.73 121.20 124.92 2k5r s ILE 45 Ca 0.59 1.52 -0.27 0.00 -2.23 0.00 0.00 60.65 60.26 2k5r s ILE 45 Cb -0.13 -3.97 0.03 0.00 -1.58 0.00 0.00 42.46 36.82 2k5r s ILE 45 CO 0.45 0.19 1.26 -1.58 -1.23 0.00 0.00 174.94 174.03 2k5r s GLN 46 N 0.33 3.20 0.13 2.79 2.00 -0.09 -4.85 119.66 123.17 2k5r s GLN 46 Ca 0.54 -0.32 0.16 0.00 -2.00 0.00 0.00 55.36 53.74 2k5r s GLN 46 Cb -0.30 -4.23 -0.08 0.00 0.80 0.00 0.00 33.01 29.21 2k5r s GLN 46 CO 0.32 -2.13 1.04 -0.91 -0.50 0.00 0.00 175.29 173.11 2k5r h ASN 47 N 9.98 0.00 -3.33 6.67 2.35 -1.88 -3.44 115.58 125.93 2k5r h ASN 47 Ca -0.26 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 54.90 2k5r h ASN 47 Cb 1.05 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.34 2k5r h ASN 47 CO 1.28 0.56 0.36 -1.10 -1.65 0.00 0.00 177.43 176.88 2k5r s GLN 48 N -2.93 4.23 0.64 0.81 -1.52 -1.26 -4.87 119.66 114.76 2k5r s GLN 48 Ca -0.01 0.90 -0.17 0.00 -1.95 0.00 0.00 55.36 54.13 2k5r s GLN 48 Cb 0.08 -3.60 -0.01 0.00 -0.22 0.00 0.00 33.01 29.26 2k5r s GLN 48 CO 0.79 -0.38 1.14 -1.54 -0.25 0.00 0.00 175.29 175.05 2k5r s SER 49 N 1.24 5.11 -0.14 5.90 1.04 -1.26 -5.05 113.70 120.54 2k5r s SER 49 Ca 0.35 2.15 0.01 0.00 0.48 0.00 0.00 55.95 58.93 2k5r s SER 49 Cb -0.16 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.41 2k5r s SER 49 CO 0.10 -1.64 -0.14 -1.48 0.98 0.00 0.00 173.24 171.06 2k5r s LEU 50 N -4.56 1.69 0.00 2.42 0.05 -1.26 -5.00 118.68 112.02 2k5r s LEU 50 Ca 0.71 -0.48 0.28 0.00 0.05 0.00 0.00 54.13 54.69 2k5r s LEU 50 Cb -0.24 -1.17 1.11 0.00 -2.05 0.00 0.00 46.19 43.85 2k5r s LEU 50 CO 0.38 -0.04 1.82 1.41 -0.55 0.00 0.00 176.35 179.37 2k5r n HIS 51 N 4.66 0.00 -3.79 3.48 8.25 -1.26 -4.80 115.22 121.76 2k5r n HIS 51 Ca -0.17 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.16 2k5r n HIS 51 Cb 0.50 -0.38 -0.12 0.00 1.12 0.00 0.00 29.99 31.11 2k5r n HIS 51 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2k5r s GLU 52 N -2.88 0.28 0.12 -0.41 2.02 -1.26 -5.11 118.70 111.45 2k5r s GLU 52 Ca 0.17 0.35 -0.11 0.00 0.02 0.00 0.00 54.97 55.39 2k5r s GLU 52 Cb 0.19 0.13 0.01 0.00 0.10 0.00 0.00 34.13 34.56 2k5r s GLU 52 CO 0.55 -0.04 0.29 0.00 0.02 0.00 0.00 175.26 176.08 2k5r s ALA 53 N 0.18 -0.44 -0.12 5.21 0.00 -1.26 -2.52 121.76 122.81 2k5r s ALA 53 Ca -0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 2k5r s ALA 53 Cb -0.02 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 2k5r s ALA 53 CO -0.00 -0.59 0.01 -0.51 0.00 0.00 0.00 175.76 174.67 2k5r s LEU 54 N -2.86 3.58 -0.09 0.00 1.43 0.30 -1.21 118.68 119.82 2k5r s LEU 54 Ca 0.07 0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2k5r s LEU 54 Cb 0.03 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 2k5r s LEU 54 CO -0.09 0.29 -0.06 -0.51 0.23 0.00 0.00 176.35 176.21 2k5r s ILE 55 N -0.37 3.73 0.36 -0.59 1.10 0.44 -1.26 121.20 124.61 2k5r s ILE 55 Ca 0.07 -0.46 -0.25 0.00 -0.51 0.00 0.00 60.65 59.51 2k5r s ILE 55 Cb -0.12 -2.55 -0.10 0.00 0.15 0.00 0.00 42.46 39.84 2k5r s ILE 55 CO 0.02 0.57 0.99 0.42 -2.11 0.00 0.00 174.94 174.83 2k5r s THR 56 N -0.51 4.04 0.39 4.00 -4.23 -1.02 -2.21 115.64 116.10 2k5r s THR 56 Ca 0.08 1.60 0.10 0.00 -1.18 0.00 0.00 61.69 62.28 2k5r s THR 56 Cb -0.12 -3.84 0.31 0.00 1.34 0.00 0.00 72.50 70.19 2k5r s THR 56 CO 0.02 0.05 1.95 -0.09 -0.54 0.00 0.00 174.62 176.00 2k5r h ARG 57 N 2.80 0.59 -0.64 3.99 2.43 -1.84 0.13 114.38 121.85 2k5r h ARG 57 Ca -0.48 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2k5r h ARG 57 Cb 1.20 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2k5r h ARG 57 CO 0.64 0.39 0.00 -0.25 -1.51 0.00 0.00 179.97 179.24 2k5r n ASP 58 N -4.49 4.23 -3.75 -3.80 8.00 -1.26 -4.93 116.55 110.55 2k5r n ASP 58 Ca 0.12 -2.43 -0.27 0.00 0.71 0.00 0.00 54.79 52.92 2k5r n ASP 58 Cb 0.34 -0.55 0.05 0.00 -0.02 0.00 0.00 41.12 40.95 2k5r n ASP 58 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k5r n ARG 59 N 0.88 -6.80 -0.04 -1.24 3.00 0.46 -4.94 116.66 107.98 2k5r n ARG 59 Ca 0.22 0.72 -0.01 0.00 -0.01 0.00 0.00 57.85 58.77 2k5r n ARG 59 Cb 0.81 -5.70 -0.00 0.00 0.00 0.00 0.00 32.46 27.57 2k5r n ARG 59 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2k5r h LYS 60 N -2.41 0.00 -5.41 5.56 1.79 -1.92 -3.43 116.57 110.75 2k5r h LYS 60 Ca -0.58 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.39 2k5r h LYS 60 Cb 1.37 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.89 2k5r h LYS 60 CO 0.61 0.00 -0.63 -0.65 -1.08 0.00 0.00 179.45 177.70 2k5r s GLN 61 N -1.52 1.66 0.01 3.15 -0.21 -1.26 -2.40 119.66 119.09 2k5r s GLN 61 Ca -0.04 -1.89 0.02 0.00 0.02 0.00 0.00 55.36 53.47 2k5r s GLN 61 Cb 0.00 -1.11 -0.01 0.00 1.00 0.00 0.00 33.01 32.90 2k5r s GLN 61 CO 0.05 -0.07 -0.07 0.08 -2.12 0.00 0.00 175.29 173.16 2k5r s VAL 62 N -3.09 0.51 0.33 1.09 1.01 0.14 -2.44 120.40 117.95 2k5r s VAL 62 Ca 0.33 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 61.98 2k5r s VAL 62 Cb 0.07 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 2k5r s VAL 62 CO 0.14 0.04 0.04 -0.36 0.00 0.00 0.00 175.10 174.97 2k5r s PHE 63 N -0.38 2.61 0.22 5.22 0.40 -0.39 0.07 117.98 125.73 2k5r s PHE 63 Ca 0.00 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 55.99 2k5r s PHE 63 Cb -0.04 -1.48 -0.03 0.00 0.51 0.00 0.00 43.02 41.98 2k5r s PHE 63 CO -0.00 0.46 0.32 0.50 0.70 0.00 0.00 175.22 177.20 2k5r s ARG 64 N -3.74 3.38 -0.06 0.44 3.52 -1.26 -0.54 118.95 120.70 2k5r s ARG 64 Ca 0.35 -0.75 0.04 0.00 -0.13 0.00 0.00 55.73 55.23 2k5r s ARG 64 Cb -0.02 -2.87 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 2k5r s ARG 64 CO 0.20 0.45 -0.16 0.42 -0.81 0.00 0.00 175.30 175.40 2k5r s ILE 65 N -1.93 1.38 0.01 4.11 1.01 -1.05 -1.16 121.20 123.57 2k5r s ILE 65 Ca 0.34 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.35 2k5r s ILE 65 Cb -0.09 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 2k5r s ILE 65 CO 0.28 0.40 -0.09 -1.83 0.00 0.00 0.00 174.94 173.71 2k5r s GLU 66 N 0.27 0.66 -1.63 2.79 -1.05 -0.90 -4.73 118.70 114.10 2k5r s GLU 66 Ca -0.09 -0.40 -0.00 0.00 -0.15 0.00 0.00 54.97 54.33 2k5r s GLU 66 Cb -0.13 -0.62 0.00 0.00 -0.44 0.00 0.00 34.13 32.94 2k5r s GLU 66 CO 0.03 0.16 0.03 -3.47 0.95 0.00 0.00 175.26 172.96 2k5r n ASP 67 N 2.59 -5.52 0.00 0.83 2.03 -1.26 -0.17 116.55 115.04 2k5r n ASP 67 Ca -0.15 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.17 2k5r n ASP 67 Cb 0.57 -4.61 0.00 0.00 -0.72 0.00 0.00 41.12 36.36 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 -2.00 -0.83 -4.68 1.67 7.64 -1.26 -4.97 113.62 109.19 2k5r n SER 68 Ca -0.22 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.28 2k5r n SER 68 Cb 0.67 -1.74 -0.07 0.00 -1.01 0.00 0.00 64.21 62.06 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 -1.96 5.18 -0.27 0.44 -1.09 0.76 -5.03 121.20 119.22 2k5r s ILE 69 Ca 0.00 0.78 -0.28 0.00 -2.23 0.00 0.00 60.65 58.92 2k5r s ILE 69 Cb 0.00 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 2k5r s ILE 69 CO 0.00 0.25 1.87 -2.84 -1.23 0.00 0.00 174.94 172.99 2k5r s PRO 70 N 1.27 3.38 -0.72 2.79 0.02 -1.26 -2.12 135.00 138.37 2k5r s PRO 70 Ca 0.21 1.64 -0.27 0.00 0.02 0.00 0.00 61.00 62.60 2k5r s PRO 70 Cb -0.15 -4.21 0.03 0.00 0.02 0.00 0.00 34.50 30.19 2k5r s PRO 70 CO 0.08 -1.80 1.29 0.08 -0.33 0.00 0.00 177.00 176.33 2k5r s VAL 71 N 6.88 3.73 -0.66 3.83 1.01 -0.31 -4.86 120.40 130.02 2k5r s VAL 71 Ca 0.84 0.44 0.11 0.00 0.00 0.00 0.00 61.98 63.37 2k5r s VAL 71 Cb -0.26 -4.87 0.58 0.00 0.00 0.00 0.00 36.38 31.83 2k5r s VAL 71 CO 0.34 -1.78 1.40 0.18 0.00 0.00 0.00 175.10 175.23 2k5r n LEU 72 N 9.42 4.22 -4.76 3.92 4.77 -1.26 -3.99 117.00 129.32 2k5r n LEU 72 Ca 0.04 -2.14 -0.41 0.00 -0.03 0.00 0.00 56.01 53.47 2k5r n LEU 72 Cb 0.49 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 2k5r n LEU 72 CO 0.71 0.55 1.18 -0.76 -1.33 0.00 0.00 177.39 177.74 2k5r s LEU 73 N -1.86 4.34 0.20 2.23 1.43 -1.26 -4.92 118.68 118.84 2k5r s LEU 73 Ca 0.39 2.95 -0.11 0.00 -1.03 0.00 0.00 54.13 56.33 2k5r s LEU 73 Cb 0.29 -3.65 0.23 0.00 0.03 0.00 0.00 46.19 43.09 2k5r s LEU 73 CO 0.13 -0.86 1.74 -0.65 0.23 0.00 0.00 176.35 176.93 2k5r h PRO 74 N 4.15 0.34 0.00 1.29 0.11 -2.00 -1.05 132.00 134.83 2k5r h PRO 74 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2k5r h PRO 74 Cb 1.23 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2k5r h PRO 74 CO 0.73 0.22 -0.02 1.05 -0.21 0.00 0.00 178.00 179.78 2k5r h GLU 75 N 0.35 0.00 0.00 1.05 9.09 -1.91 -2.41 114.58 120.75 2k5r h GLU 75 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.69 2k5r h GLU 75 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 2k5r h GLU 75 CO -0.30 0.02 -0.12 0.39 0.05 0.00 0.00 179.01 179.05 2k5r n GLU 76 N -3.17 0.03 -2.17 1.06 -0.58 -0.40 -1.08 120.64 114.34 2k5r n GLU 76 Ca -0.01 0.02 -0.31 0.00 -0.42 0.00 0.00 57.16 56.44 2k5r n GLU 76 Cb 0.19 -1.53 -0.05 0.00 -0.57 0.00 0.00 31.44 29.48 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 -3.02 2.02 0.27 0.62 0.00 -0.91 -4.35 121.76 116.40 2k5r s ALA 77 Ca 0.13 -2.03 -0.29 0.00 0.00 0.00 0.00 51.96 49.77 2k5r s ALA 77 Cb 0.18 -4.62 -0.09 0.00 0.00 0.00 0.00 23.12 18.59 2k5r s ALA 77 CO 0.58 -4.70 1.14 0.42 0.00 0.00 0.00 175.76 173.20 2k5r s ILE 78 N 9.29 3.39 -0.17 0.00 1.01 0.11 -4.10 121.20 130.74 2k5r s ILE 78 Ca 0.65 1.36 -0.24 0.00 0.00 0.00 0.00 60.65 62.43 2k5r s ILE 78 Cb -0.02 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 2k5r s ILE 78 CO 0.05 0.31 0.76 0.00 0.00 0.00 0.00 174.94 176.06 2k5r s ALA 79 N -0.99 3.51 0.37 9.38 0.00 -1.26 0.28 121.76 133.05 2k5r s ALA 79 Ca 0.46 -0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.42 2k5r s ALA 79 Cb -0.33 -3.13 0.73 0.00 0.00 0.00 0.00 23.12 20.39 2k5r s ALA 79 CO 0.42 -0.58 2.00 1.79 0.00 0.00 0.00 175.76 179.40 2k5r h THR 80 N 5.15 1.10 0.00 0.00 1.35 -1.74 -2.03 112.91 116.73 2k5r h THR 80 Ca -0.31 -0.26 -0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2k5r h THR 80 Cb 1.14 0.28 -0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2k5r h THR 80 CO 0.81 0.14 -0.01 -0.29 -0.25 0.00 0.00 175.52 175.92 2k5r h ILE 81 N 0.75 0.52 0.00 6.82 6.09 -1.88 -1.10 117.51 128.70 2k5r h ILE 81 Ca 0.24 -0.04 -0.10 0.00 -1.37 0.00 0.00 64.86 63.59 2k5r h ILE 81 Cb 0.04 1.03 -0.01 0.00 0.47 0.00 0.00 36.82 38.35 2k5r h ILE 81 CO -0.06 0.01 -0.48 -0.61 -3.07 0.00 0.00 178.15 173.94 2k5r h GLN 82 N 0.00 0.00 -6.01 2.19 5.75 -1.76 -3.43 115.11 111.85 2k5r h GLN 82 Ca -0.00 0.00 -0.47 0.00 -0.15 0.00 0.00 58.65 58.03 2k5r h GLN 82 Cb 0.03 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.52 2k5r h GLN 82 CO 0.00 0.48 1.17 0.42 -2.65 0.00 0.00 178.83 178.25 2k5r s ILE 83 N -3.42 3.50 0.65 2.39 -1.09 -0.42 -4.83 121.20 117.98 2k5r s ILE 83 Ca 0.01 0.02 0.30 0.00 -2.23 0.00 0.00 60.65 58.75 2k5r s ILE 83 Cb 0.10 -4.25 0.33 0.00 -1.58 0.00 0.00 42.46 37.06 2k5r s ILE 83 CO 0.72 -1.20 1.95 0.00 -1.23 0.00 0.00 174.94 175.17 2k5r h ALA 84 N 12.67 1.52 -0.18 9.38 0.00 -1.86 -1.32 119.26 139.47 2k5r h ALA 84 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k5r h ALA 84 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2k5r h ALA 84 CO 1.25 -0.39 0.00 0.09 0.00 0.00 0.00 179.25 180.20 2k5r n ASN 85 N -3.13 1.07 -4.68 0.00 3.02 -1.26 -4.76 115.26 105.51 2k5r n ASN 85 Ca 0.00 -1.90 -0.37 0.00 -0.03 0.00 0.00 54.58 52.28 2k5r n ASN 85 Cb 0.42 -0.12 -0.08 0.00 -0.61 0.00 0.00 39.78 39.39 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 -1.76 3.38 0.05 3.10 0.40 -0.50 -4.86 117.98 117.80 2k5r s PHE 86 Ca 0.18 0.52 -0.35 0.00 -0.60 0.00 0.00 56.93 56.68 2k5r s PHE 86 Cb 0.09 -2.42 -0.14 0.00 0.51 0.00 0.00 43.02 41.07 2k5r s PHE 86 CO 0.13 0.07 1.64 -2.30 0.70 0.00 0.00 175.22 175.46 2k5r n PRO 87 N 4.19 1.95 -1.77 0.24 -0.02 -1.26 -4.91 135.00 133.42 2k5r n PRO 87 Ca -0.11 0.71 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 2k5r n PRO 87 Cb 0.51 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 4.31 3.64 -4.31 2.55 5.68 -1.26 -5.01 116.55 122.14 2k5r n ASP 88 Ca 0.19 1.22 -0.32 0.00 -0.50 0.00 0.00 54.79 55.37 2k5r n ASP 88 Cb 0.27 -1.61 -0.15 0.00 -1.14 0.00 0.00 41.12 38.49 2k5r n ASP 88 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2k5r s LYS 89 N -2.12 3.16 -0.08 0.11 -0.14 -1.26 -5.09 119.74 114.33 2k5r s LYS 89 Ca 0.54 -0.77 -0.29 0.00 -1.36 0.00 0.00 55.97 54.09 2k5r s LYS 89 Cb -0.48 -2.47 -0.06 0.00 -1.68 0.00 0.00 37.83 33.14 2k5r s LYS 89 CO 0.63 0.23 1.80 -0.51 -0.76 0.00 0.00 175.35 176.74 2k5r s LEU 90 N 0.26 4.18 -0.99 3.17 1.43 -1.26 -4.89 118.68 120.58 2k5r s LEU 90 Ca -0.12 2.21 -0.25 0.00 -1.03 0.00 0.00 54.13 54.94 2k5r s LEU 90 Cb -0.16 -3.53 -0.11 0.00 0.03 0.00 0.00 46.19 42.42 2k5r s LEU 90 CO 0.07 -1.14 2.07 -0.70 0.23 0.00 0.00 176.35 176.88 2k5r s GLU 91 N 4.53 2.10 -0.19 1.70 2.12 -1.26 -4.89 118.70 122.81 2k5r s GLU 91 Ca 0.80 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 55.75 2k5r s GLU 91 Cb -0.34 -5.04 0.02 0.00 0.26 0.00 0.00 34.13 29.03 2k5r s GLU 91 CO 0.34 -4.15 -0.18 -1.58 -0.54 0.00 0.00 175.26 169.14 2k5r s HIS 92 N 12.55 2.79 0.14 5.30 2.46 -1.26 -5.13 115.29 132.14 2k5r s HIS 92 Ca 0.76 -1.70 0.07 0.00 0.47 0.00 0.00 55.06 54.67 2k5r s HIS 92 Cb -0.06 -1.90 -0.04 0.00 -0.13 0.00 0.00 32.58 30.46 2k5r s HIS 92 CO 0.08 -0.81 -0.16 -1.01 -2.47 0.00 0.00 174.74 170.37 2k5r s HIS 93 N 1.28 1.58 -0.04 3.88 3.76 -1.26 -5.14 115.29 119.35 2k5r s HIS 93 Ca 0.03 -0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 54.41 2k5r s HIS 93 Cb -0.14 -0.81 0.03 0.00 1.11 0.00 0.00 32.58 32.77 2k5r s HIS 93 CO -0.12 0.22 0.05 -3.38 -0.85 0.00 0.00 174.74 170.66 2k5r s HIS 94 N -2.04 0.16 -2.00 1.40 -3.43 -1.26 -5.03 115.29 103.09 2k5r s HIS 94 Ca 0.11 0.19 0.15 0.00 -0.80 0.00 0.00 55.06 54.72 2k5r s HIS 94 Cb -0.06 -0.53 0.92 0.00 -1.43 0.00 0.00 32.58 31.48 2k5r s HIS 94 CO 0.04 -0.21 1.47 1.58 -2.00 0.00 0.00 174.74 175.62 2k5r n HIS 95 N 5.28 0.00 -1.59 0.38 -0.00 -1.26 -4.80 115.22 113.23 2k5r n HIS 95 Ca -0.04 0.00 -0.44 0.00 0.46 0.00 0.00 57.72 57.70 2k5r n HIS 95 Cb 0.50 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.33 2k5r n HIS 95 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2k5r n HIS 96 N -0.79 1.99 0.70 1.57 -0.00 -1.26 -5.39 115.22 112.05 2k5r n HIS 96 Ca 0.12 -0.09 0.06 0.00 -0.00 0.00 0.00 57.72 57.80 2k5r n HIS 96 Cb 0.05 -2.71 0.33 0.00 -0.00 0.00 0.00 29.99 27.67 2k5r n HIS 96 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92