#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 3.98 0.22 3.17 -4.77 -1.26 -5.01 116.67 113.00 2k5r s ASP 2 Ca 0.00 -2.13 -0.07 0.00 -3.30 0.00 0.00 52.55 47.05 2k5r s ASP 2 Cb 0.00 -1.04 0.20 0.00 -1.09 0.00 0.00 42.92 40.98 2k5r s ASP 2 CO 0.00 -0.35 1.78 0.08 0.70 0.00 0.00 175.17 177.38 2k5r h ARG 3 N 7.45 1.13 -0.21 2.11 0.11 -2.05 -1.20 114.38 121.72 2k5r h ARG 3 Ca -0.07 -0.22 -0.12 0.00 0.10 0.00 0.00 59.98 59.66 2k5r h ARG 3 Cb 0.98 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 31.87 2k5r h ARG 3 CO 0.49 0.94 -0.40 1.57 0.10 0.00 0.00 179.97 182.66 2k5r h LYS 4 N 1.09 0.48 -0.17 0.08 2.10 -1.98 -1.69 116.57 116.48 2k5r h LYS 4 Ca 0.24 -0.24 -0.08 0.00 -2.00 0.00 0.00 60.65 58.58 2k5r h LYS 4 Cb 0.26 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.59 2k5r h LYS 4 CO -0.01 0.80 -0.20 -0.07 -2.00 0.00 0.00 179.45 177.96 2k5r h LEU 5 N 0.40 0.47 -1.30 7.07 -0.00 -1.83 -1.88 115.31 118.23 2k5r h LEU 5 Ca 0.04 -0.50 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 2k5r h LEU 5 Cb 0.87 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 2k5r h LEU 5 CO 0.07 0.87 0.00 0.17 -0.00 0.00 0.00 178.44 179.56 2k5r h LEU 6 N 0.07 0.00 -0.23 1.67 8.10 -1.25 -2.29 115.31 121.38 2k5r h LEU 6 Ca 0.02 0.00 -0.22 0.00 0.11 0.00 0.00 57.88 57.80 2k5r h LEU 6 Cb 0.76 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.98 2k5r h LEU 6 CO 0.05 0.00 -0.86 -0.74 -4.11 0.00 0.00 178.44 172.78 2k5r h HIS 7 N 0.00 0.69 -2.40 0.17 2.76 -1.17 -3.46 115.15 111.74 2k5r h HIS 7 Ca 0.00 -0.34 -0.05 0.00 -2.20 0.00 0.00 60.37 57.78 2k5r h HIS 7 Cb 0.51 -0.09 0.02 0.00 1.55 0.00 0.00 27.41 29.40 2k5r h HIS 7 CO 0.00 1.15 0.04 1.28 -1.30 0.00 0.00 177.93 179.10 2k5r n LEU 8 N -3.81 0.00 0.00 0.26 4.77 -0.72 -5.09 117.00 112.41 2k5r n LEU 8 Ca -0.06 -0.16 -0.09 0.00 -0.03 0.00 0.00 56.01 55.66 2k5r n LEU 8 Cb 0.79 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.75 2k5r n LEU 8 CO 0.51 -0.59 -0.06 0.00 -1.33 0.00 0.00 177.39 175.92 2k5r n LEU 9 N 0.00 0.00 -3.81 2.23 -0.00 -1.26 -4.97 117.00 109.19 2k5r n LEU 9 Ca 0.02 -1.13 -0.14 0.00 -0.00 0.00 0.00 56.01 54.76 2k5r n LEU 9 Cb 0.06 0.36 -0.15 0.00 -0.00 0.00 0.00 43.42 43.69 2k5r n LEU 9 CO 0.04 -0.17 -0.32 0.00 -0.00 0.00 0.00 177.39 176.94 2k5r s SER 11 N 0.62 4.22 0.15 0.00 1.04 -1.26 -4.95 113.70 113.52 2k5r s SER 11 Ca -0.05 1.73 -0.33 0.00 0.48 0.00 0.00 55.95 57.78 2k5r s SER 11 Cb -0.07 -2.43 -0.16 0.00 0.10 0.00 0.00 66.02 63.46 2k5r s SER 11 CO -0.02 -2.21 1.10 -2.65 0.98 0.00 0.00 173.24 170.44 2k5r n PRO 12 N -3.63 0.92 0.22 4.02 -0.02 -1.26 -4.83 135.00 130.43 2k5r n PRO 12 Ca 0.09 0.33 0.18 0.00 -2.02 0.00 0.00 63.50 62.07 2k5r n PRO 12 Cb 0.54 -1.78 0.81 0.00 -0.02 0.00 0.00 33.50 33.04 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 3.13 0.00 0.12 2.55 5.19 -1.92 -0.14 116.42 125.35 2k5r h ASP 13 Ca -0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2k5r h ASP 13 Cb 1.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.87 2k5r h ASP 13 CO 0.68 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.80 2k5r h THR 14 N 0.00 0.00 -0.53 0.35 1.03 -2.01 -2.47 112.91 109.28 2k5r h THR 14 Ca 0.09 -0.05 -0.06 0.00 -0.01 0.00 0.00 66.41 66.39 2k5r h THR 14 Cb 0.76 0.69 -0.02 0.00 -1.07 0.00 0.00 68.15 68.51 2k5r h THR 14 CO -0.00 0.00 0.10 -0.09 -0.01 0.00 0.00 175.52 175.51 2k5r h ARG 15 N 0.00 0.87 -2.39 0.00 9.65 -1.35 -3.42 114.38 117.74 2k5r h ARG 15 Ca 0.00 -0.23 -0.31 0.00 -1.10 0.00 0.00 59.98 58.34 2k5r h ARG 15 Cb 0.06 -0.10 -0.35 0.00 -1.39 0.00 0.00 29.97 28.19 2k5r h ARG 15 CO 0.00 0.85 -0.61 -0.65 2.80 0.00 0.00 179.97 182.35 2k5r s GLN 16 N -5.22 0.23 0.23 0.20 -1.52 -0.93 -5.03 119.66 107.62 2k5r s GLN 16 Ca -0.13 0.17 -0.07 0.00 -1.95 0.00 0.00 55.36 53.38 2k5r s GLN 16 Cb 0.12 -1.04 0.31 0.00 -0.22 0.00 0.00 33.01 32.18 2k5r s GLN 16 CO 0.81 -0.72 1.82 -1.35 -0.25 0.00 0.00 175.29 175.59 2k5r h PRO 17 N 8.29 0.75 -5.12 2.91 0.11 -1.83 -3.39 132.00 133.71 2k5r h PRO 17 Ca -0.17 -0.05 -0.62 0.00 0.11 0.00 0.00 66.00 65.27 2k5r h PRO 17 Cb 1.14 -0.17 -0.14 0.00 0.11 0.00 0.00 31.00 31.93 2k5r h PRO 17 CO 0.29 0.50 -0.39 -0.51 -0.21 0.00 0.00 178.00 177.68 2k5r s LEU 18 N -10.25 4.08 0.41 2.35 1.43 -1.26 -1.12 118.68 114.32 2k5r s LEU 18 Ca -0.13 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 2k5r s LEU 18 Cb 0.18 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 2k5r s LEU 18 CO 0.77 -0.04 0.09 -0.44 0.23 0.00 0.00 176.35 176.96 2k5r s SER 19 N 1.34 2.92 0.14 2.29 0.01 -0.25 -4.86 113.70 115.28 2k5r s SER 19 Ca 0.11 -1.60 -0.32 0.00 1.31 0.00 0.00 55.95 55.45 2k5r s SER 19 Cb -0.15 0.36 -0.11 0.00 0.21 0.00 0.00 66.02 66.33 2k5r s SER 19 CO 0.08 -0.84 1.79 -0.11 0.41 0.00 0.00 173.24 174.57 2k5r n LEU 20 N -0.92 3.96 -4.73 2.44 -0.00 -1.26 -0.23 117.00 116.26 2k5r n LEU 20 Ca -0.07 1.01 -0.42 0.00 -0.00 0.00 0.00 56.01 56.53 2k5r n LEU 20 Cb 0.66 -1.54 -0.03 0.00 -0.00 0.00 0.00 43.42 42.51 2k5r n LEU 20 CO 0.38 0.14 1.27 -0.22 -0.00 0.00 0.00 177.39 178.96 2k5r s LEU 21 N 2.23 4.37 0.20 -1.96 2.96 -0.05 -4.69 118.68 121.73 2k5r s LEU 21 Ca 0.80 2.76 -0.31 0.00 -0.22 0.00 0.00 54.13 57.17 2k5r s LEU 21 Cb -0.51 -3.61 -0.16 0.00 0.50 0.00 0.00 46.19 42.42 2k5r s LEU 21 CO 0.36 -0.88 0.93 1.21 -1.32 0.00 0.00 176.35 176.66 2k5r n GLU 22 N 3.49 0.80 -0.19 1.98 4.07 -1.26 -4.64 120.64 124.89 2k5r n GLU 22 Ca 0.13 0.28 -0.01 0.00 -0.06 0.00 0.00 57.16 57.50 2k5r n GLU 22 Cb 0.37 -1.61 0.10 0.00 -0.06 0.00 0.00 31.44 30.24 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 2.29 0.20 0.81 4.31 4.64 -2.00 0.34 113.55 124.14 2k5r h SER 23 Ca -0.39 0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 60.92 2k5r h SER 23 Cb 1.38 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.52 2k5r h SER 23 CO 0.63 0.12 -0.45 0.11 -0.87 0.00 0.00 176.83 176.38 2k5r h LYS 24 N 0.39 0.00 -0.09 4.77 1.79 -2.01 -2.92 116.57 118.49 2k5r h LYS 24 Ca 0.29 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.59 2k5r h LYS 24 Cb 0.36 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.02 2k5r h LYS 24 CO -0.30 0.45 -0.61 0.78 -1.08 0.00 0.00 179.45 178.68 2k5r h GLY 25 N 2.07 0.64 0.39 3.86 0.00 -1.50 -3.04 103.07 105.50 2k5r h GLY 25 Ca -0.00 -0.94 0.05 0.00 0.00 0.00 0.00 47.33 46.44 2k5r h GLY 25 CO 0.06 0.84 -0.13 -2.00 0.00 0.00 0.00 176.54 175.31 2k5r h LEU 26 N 0.20 -0.41 -1.86 3.11 5.85 -0.29 0.92 115.31 122.82 2k5r h LEU 26 Ca -0.05 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2k5r h LEU 26 Cb 1.26 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.52 2k5r h LEU 26 CO 0.13 -0.16 -0.12 1.05 -0.34 0.00 0.00 178.44 179.00 2k5r h GLU 27 N -0.10 0.00 -0.21 1.25 4.11 -1.63 -0.45 114.58 117.54 2k5r h GLU 27 Ca 0.13 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.46 2k5r h GLU 27 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2k5r h GLU 27 CO -0.29 0.12 -0.22 0.00 0.07 0.00 0.00 179.01 178.68 2k5r h ALA 28 N 1.88 0.31 -0.34 1.06 0.00 -0.80 -0.66 119.26 120.71 2k5r h ALA 28 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2k5r h ALA 28 Cb 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2k5r h ALA 28 CO 0.02 0.27 0.19 -0.07 0.00 0.00 0.00 179.25 179.65 2k5r h LEU 29 N 0.21 0.42 -0.47 0.00 -0.00 -0.52 -0.43 115.31 114.53 2k5r h LEU 29 Ca 0.03 -0.09 0.04 0.00 -0.00 0.00 0.00 57.88 57.87 2k5r h LEU 29 Cb 0.78 -0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 41.29 2k5r h LEU 29 CO 0.05 0.39 0.23 0.78 -0.00 0.00 0.00 178.44 179.90 2k5r h ASN 30 N 0.43 0.34 -0.52 -0.43 2.35 -1.08 0.12 115.58 116.79 2k5r h ASN 30 Ca 0.12 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 2k5r h ASN 30 Cb 0.06 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 2k5r h ASN 30 CO -0.02 0.24 0.22 0.11 -1.65 0.00 0.00 177.43 176.33 2k5r h LYS 31 N 0.46 0.81 -0.44 0.81 1.57 -0.94 0.67 116.57 119.50 2k5r h LYS 31 Ca 0.20 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 2k5r h LYS 31 Cb 0.11 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2k5r h LYS 31 CO -0.15 0.66 -0.04 0.00 -0.57 0.00 0.00 179.45 179.35 2k5r h ALA 32 N 1.45 1.10 -0.09 3.86 0.00 -0.35 0.71 119.26 125.94 2k5r h ALA 32 Ca 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2k5r h ALA 32 Cb 0.16 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2k5r h ALA 32 CO -0.02 0.57 0.04 0.82 0.00 0.00 0.00 179.25 180.65 2k5r h ILE 33 N 0.69 1.15 -0.15 0.00 2.04 0.01 -0.56 117.51 120.69 2k5r h ILE 33 Ca 0.13 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 2k5r h ILE 33 Cb 0.49 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2k5r h ILE 33 CO 0.03 0.13 0.06 0.58 0.00 0.00 0.00 178.15 178.95 2k5r h VAL 34 N -0.01 1.06 0.00 1.67 2.07 -0.70 -0.49 116.25 119.85 2k5r h VAL 34 Ca 0.03 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2k5r h VAL 34 Cb 0.17 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2k5r h VAL 34 CO -0.00 0.07 0.00 -1.28 0.02 0.00 0.00 177.57 176.38 2k5r h SER 35 N 0.20 0.00 -3.24 0.57 0.87 -0.57 -3.48 113.55 107.90 2k5r h SER 35 Ca 0.05 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.47 2k5r h SER 35 Cb 0.04 0.00 0.06 0.00 -0.44 0.00 0.00 62.40 62.06 2k5r h SER 35 CO -0.01 0.00 -0.29 0.61 -0.53 0.00 0.00 176.83 176.61 2k5r n GLY 36 N 0.94 0.22 0.23 5.77 0.00 -0.19 -4.97 105.19 107.18 2k5r n GLY 36 Ca 0.04 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.74 0.82 -3.15 2.61 5.66 -0.72 -5.01 114.28 111.75 2k5r n THR 37 Ca -0.07 -0.96 -0.45 0.00 -3.05 0.00 0.00 64.05 59.52 2k5r n THR 37 Cb 0.55 0.27 -0.05 0.00 -1.55 0.00 0.00 70.33 69.55 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 -1.20 4.89 -0.19 1.08 1.01 -1.25 -4.73 120.40 120.01 2k5r s VAL 38 Ca 0.12 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.91 2k5r s VAL 38 Cb 0.11 -4.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2k5r s VAL 38 CO 0.01 -1.01 0.70 -1.10 0.00 0.00 0.00 175.10 173.70 2k5r s GLN 39 N 2.51 4.23 1.17 2.72 -0.21 -1.26 -0.82 119.66 127.99 2k5r s GLN 39 Ca 0.11 0.75 -0.17 0.00 0.02 0.00 0.00 55.36 56.07 2k5r s GLN 39 Cb -0.24 -3.58 0.27 0.00 1.00 0.00 0.00 33.01 30.46 2k5r s GLN 39 CO 0.07 -0.29 1.07 1.03 -2.12 0.00 0.00 175.29 175.05 2k5r s ARG 40 N 2.06 -0.96 0.40 2.91 1.81 0.36 -4.07 118.95 121.46 2k5r s ARG 40 Ca 0.32 0.24 0.14 0.00 -1.72 0.00 0.00 55.73 54.70 2k5r s ARG 40 Cb -0.16 -1.60 0.99 0.00 -0.45 0.00 0.00 34.95 33.73 2k5r s ARG 40 CO 0.11 -3.60 1.89 0.00 -0.68 0.00 0.00 175.30 173.02 2k5r h ALA 41 N -2.51 2.05 0.00 2.13 0.00 -1.44 0.12 119.26 119.60 2k5r h ALA 41 Ca -0.50 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 2k5r h ALA 41 Cb 1.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2k5r h ALA 41 CO 0.43 -0.28 -0.52 -0.44 0.00 0.00 0.00 179.25 178.44 2k5r h ASP 42 N 0.50 0.00 0.00 0.00 5.19 -1.89 -3.47 116.42 116.74 2k5r h ASP 42 Ca 0.41 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.82 2k5r h ASP 42 Cb 0.87 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.38 2k5r h ASP 42 CO -0.16 0.52 0.00 0.61 -3.12 0.00 0.00 179.24 177.09 2k5r n GLY 43 N 0.14 2.52 3.75 2.75 0.00 0.40 -5.10 105.19 109.66 2k5r n GLY 43 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2k5r n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k5r n SER 44 N 0.00 3.49 -4.69 1.61 7.64 -1.26 -4.36 113.62 116.04 2k5r n SER 44 Ca 0.00 1.22 -0.42 0.00 1.01 0.00 0.00 58.87 60.68 2k5r n SER 44 Cb 0.00 -1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 61.59 2k5r n SER 44 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2k5r s ILE 45 N -1.11 4.39 -0.55 0.44 -1.09 -1.26 -0.49 121.20 121.53 2k5r s ILE 45 Ca 0.54 1.70 -0.27 0.00 -2.23 0.00 0.00 60.65 60.39 2k5r s ILE 45 Cb -0.50 -4.09 0.03 0.00 -1.58 0.00 0.00 42.46 36.32 2k5r s ILE 45 CO 0.63 0.00 1.09 -1.58 -1.23 0.00 0.00 174.94 173.86 2k5r s GLN 46 N 2.13 3.49 0.15 2.79 0.74 -0.00 -4.88 119.66 124.08 2k5r s GLN 46 Ca 0.54 0.14 0.23 0.00 0.05 0.00 0.00 55.36 56.33 2k5r s GLN 46 Cb -0.23 -4.00 0.18 0.00 1.10 0.00 0.00 33.01 30.05 2k5r s GLN 46 CO 0.21 -1.54 1.18 -0.91 -0.55 0.00 0.00 175.29 173.68 2k5r h ASN 47 N 9.39 0.00 -3.34 6.67 2.35 -1.89 -3.44 115.58 125.32 2k5r h ASN 47 Ca -0.25 -0.15 -0.57 0.00 -0.55 0.00 0.00 56.30 54.78 2k5r h ASN 47 Cb 1.06 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.37 2k5r h ASN 47 CO 1.13 0.08 0.87 -1.10 -1.65 0.00 0.00 177.43 176.76 2k5r s GLN 48 N -3.25 4.02 -0.71 0.81 -0.21 -1.26 -4.85 119.66 114.21 2k5r s GLN 48 Ca 0.03 1.04 -0.23 0.00 0.02 0.00 0.00 55.36 56.22 2k5r s GLN 48 Cb 0.12 -3.77 0.07 0.00 1.00 0.00 0.00 33.01 30.42 2k5r s GLN 48 CO 0.76 -0.98 1.06 -1.54 -2.12 0.00 0.00 175.29 172.47 2k5r s SER 49 N 1.86 6.21 0.56 5.90 1.04 -1.26 -5.03 113.70 122.98 2k5r s SER 49 Ca 0.47 -0.96 -0.15 0.00 0.48 0.00 0.00 55.95 55.79 2k5r s SER 49 Cb -0.12 -2.45 -0.06 0.00 0.10 0.00 0.00 66.02 63.49 2k5r s SER 49 CO 0.18 -1.50 1.02 -1.48 0.98 0.00 0.00 173.24 172.43 2k5r s LEU 50 N 4.36 3.49 0.00 2.42 0.05 -1.26 -4.99 118.68 122.75 2k5r s LEU 50 Ca 0.26 1.61 0.23 0.00 0.05 0.00 0.00 54.13 56.28 2k5r s LEU 50 Cb -0.14 -4.51 0.15 0.00 -2.05 0.00 0.00 46.19 39.65 2k5r s LEU 50 CO 0.09 -0.84 1.17 1.41 -0.55 0.00 0.00 176.35 177.64 2k5r n HIS 51 N -2.00 0.00 -3.72 3.48 8.25 -1.26 -4.89 115.22 115.08 2k5r n HIS 51 Ca 0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 2k5r n HIS 51 Cb 0.54 -0.06 -0.10 0.00 1.12 0.00 0.00 29.99 31.48 2k5r n HIS 51 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2k5r s GLU 52 N -2.71 0.44 0.18 -0.41 2.12 -1.26 -5.11 118.70 111.95 2k5r s GLU 52 Ca 0.16 0.63 -0.13 0.00 0.36 0.00 0.00 54.97 55.99 2k5r s GLU 52 Cb 0.18 0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.71 2k5r s GLU 52 CO 0.67 -0.09 0.40 0.00 -0.54 0.00 0.00 175.26 175.70 2k5r s ALA 53 N 0.63 -0.43 0.11 6.30 0.00 -1.26 -3.23 121.76 123.87 2k5r s ALA 53 Ca -0.03 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.34 2k5r s ALA 53 Cb -0.05 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.91 2k5r s ALA 53 CO -0.04 -0.73 0.26 -0.51 0.00 0.00 0.00 175.76 174.73 2k5r s LEU 54 N -2.93 4.34 -0.02 0.00 1.43 0.15 -0.87 118.68 120.78 2k5r s LEU 54 Ca 0.14 0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 2k5r s LEU 54 Cb 0.01 -2.95 0.02 0.00 0.03 0.00 0.00 46.19 43.29 2k5r s LEU 54 CO -0.00 0.10 -0.01 -0.51 0.23 0.00 0.00 176.35 176.16 2k5r s ILE 55 N -1.64 0.18 0.74 -0.59 1.10 0.68 -1.48 121.20 120.19 2k5r s ILE 55 Ca 0.35 0.01 -0.14 0.00 -0.51 0.00 0.00 60.65 60.36 2k5r s ILE 55 Cb -0.12 -0.22 0.04 0.00 0.15 0.00 0.00 42.46 42.31 2k5r s ILE 55 CO 0.28 0.11 1.15 0.42 -2.11 0.00 0.00 174.94 174.79 2k5r s THR 56 N 0.57 2.73 0.07 4.00 -4.23 -0.83 -1.09 115.64 116.86 2k5r s THR 56 Ca -0.06 0.31 0.32 0.00 -1.18 0.00 0.00 61.69 61.09 2k5r s THR 56 Cb -0.08 -2.77 0.33 0.00 1.34 0.00 0.00 72.50 71.31 2k5r s THR 56 CO -0.01 -0.23 1.96 0.03 -0.54 0.00 0.00 174.62 175.83 2k5r h ARG 57 N -0.55 0.00 -0.00 3.99 2.47 -1.43 0.95 114.38 119.81 2k5r h ARG 57 Ca -0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 2k5r h ARG 57 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 2k5r h ARG 57 CO 0.50 0.00 -0.31 -0.25 0.56 0.00 0.00 179.97 180.47 2k5r n ASP 58 N -2.69 0.41 -2.50 7.04 9.92 -1.26 -4.96 116.55 122.51 2k5r n ASP 58 Ca -0.01 -0.15 -0.20 0.00 -0.53 0.00 0.00 54.79 53.90 2k5r n ASP 58 Cb 0.15 0.01 0.01 0.00 -0.64 0.00 0.00 41.12 40.65 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 -1.36 -2.94 -0.00 -1.24 1.74 0.33 -4.90 116.66 108.29 2k5r n ARG 59 Ca 0.07 0.91 0.03 0.00 -0.77 0.00 0.00 57.85 58.09 2k5r n ARG 59 Cb 0.33 -5.56 -0.04 0.00 -1.02 0.00 0.00 32.46 26.16 2k5r n ARG 59 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2k5r n LYS 60 N -3.31 2.24 -4.30 5.56 5.02 -1.26 -4.96 118.16 117.15 2k5r n LYS 60 Ca -0.18 -0.03 -0.20 0.00 -2.02 0.00 0.00 58.31 55.88 2k5r n LYS 60 Cb 0.65 -0.99 -0.16 0.00 -0.02 0.00 0.00 35.03 34.51 2k5r n LYS 60 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2k5r s GLN 61 N -2.06 0.91 -0.07 1.97 -0.21 -1.26 -3.70 119.66 115.24 2k5r s GLN 61 Ca -0.00 -0.23 0.02 0.00 0.02 0.00 0.00 55.36 55.17 2k5r s GLN 61 Cb 0.04 -0.86 -0.03 0.00 1.00 0.00 0.00 33.01 33.17 2k5r s GLN 61 CO 0.25 0.04 -0.11 0.08 -2.12 0.00 0.00 175.29 173.42 2k5r s VAL 62 N 0.46 3.30 0.21 1.09 1.01 -0.97 -1.97 120.40 123.53 2k5r s VAL 62 Ca -0.07 -0.63 0.10 0.00 0.00 0.00 0.00 61.98 61.39 2k5r s VAL 62 Cb -0.11 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 2k5r s VAL 62 CO 0.01 0.59 -0.20 -0.36 0.00 0.00 0.00 175.10 175.13 2k5r s PHE 63 N -0.63 2.09 0.09 5.22 0.40 -0.55 -0.42 117.98 124.19 2k5r s PHE 63 Ca 0.09 -0.41 -0.22 0.00 -0.60 0.00 0.00 56.93 55.80 2k5r s PHE 63 Cb -0.11 -0.99 -0.07 0.00 0.51 0.00 0.00 43.02 42.36 2k5r s PHE 63 CO 0.01 0.50 0.66 0.50 0.70 0.00 0.00 175.22 177.59 2k5r s ARG 64 N -3.05 4.37 -0.06 0.44 3.52 -1.26 -0.67 118.95 122.25 2k5r s ARG 64 Ca 0.22 0.91 0.06 0.00 -0.13 0.00 0.00 55.73 56.79 2k5r s ARG 64 Cb -0.06 -3.27 -0.01 0.00 -1.56 0.00 0.00 34.95 30.05 2k5r s ARG 64 CO 0.10 0.55 -0.23 0.42 -0.81 0.00 0.00 175.30 175.33 2k5r s ILE 65 N -0.90 1.89 0.06 4.11 1.01 -1.20 -1.88 121.20 124.30 2k5r s ILE 65 Ca 0.32 -0.97 -0.16 0.00 0.00 0.00 0.00 60.65 59.84 2k5r s ILE 65 Cb -0.21 -1.61 0.03 0.00 0.01 0.00 0.00 42.46 40.69 2k5r s ILE 65 CO 0.22 0.53 0.37 -1.83 0.00 0.00 0.00 174.94 174.22 2k5r s GLU 66 N -0.08 0.92 -2.03 2.79 -1.05 -0.95 -4.70 118.70 113.59 2k5r s GLU 66 Ca -0.04 -0.50 0.00 0.00 -0.15 0.00 0.00 54.97 54.28 2k5r s GLU 66 Cb -0.13 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 2k5r s GLU 66 CO 0.04 -0.32 0.00 -3.47 0.95 0.00 0.00 175.26 172.46 2k5r n ASP 67 N 0.35 -5.60 -0.51 0.83 2.03 -1.26 -0.42 116.55 111.98 2k5r n ASP 67 Ca -0.18 0.32 -0.07 0.00 0.52 0.00 0.00 54.79 55.39 2k5r n ASP 67 Cb 0.61 -4.80 -0.03 0.00 -0.72 0.00 0.00 41.12 36.18 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 -1.52 -4.75 -4.37 1.67 2.88 -1.26 -5.00 113.62 101.27 2k5r n SER 68 Ca -0.22 0.16 -0.34 0.00 -1.33 0.00 0.00 58.87 57.14 2k5r n SER 68 Cb 0.68 -2.83 -0.14 0.00 -0.75 0.00 0.00 64.21 61.17 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 -1.93 3.44 -0.42 2.46 -1.09 0.44 -5.08 121.20 119.03 2k5r s ILE 69 Ca 0.00 -0.49 -0.28 0.00 -2.23 0.00 0.00 60.65 57.65 2k5r s ILE 69 Cb 0.00 -2.53 -0.01 0.00 -1.58 0.00 0.00 42.46 38.34 2k5r s ILE 69 CO 0.00 0.46 1.69 -2.16 -1.23 0.00 0.00 174.94 173.70 2k5r s PRO 70 N 0.95 3.26 -0.62 2.79 0.04 -1.26 -2.25 135.00 137.90 2k5r s PRO 70 Ca -0.01 1.09 -0.27 0.00 0.04 0.00 0.00 61.00 61.86 2k5r s PRO 70 Cb -0.15 -4.18 0.03 0.00 0.04 0.00 0.00 34.50 30.24 2k5r s PRO 70 CO 0.01 -1.95 1.16 0.08 0.04 0.00 0.00 177.00 176.33 2k5r s VAL 71 N 6.87 4.02 -0.50 -0.36 1.01 -0.79 -4.88 120.40 125.77 2k5r s VAL 71 Ca 0.71 0.57 0.07 0.00 0.00 0.00 0.00 61.98 63.33 2k5r s VAL 71 Cb -0.18 -4.74 0.47 0.00 0.00 0.00 0.00 36.38 31.93 2k5r s VAL 71 CO 0.30 -1.45 1.30 0.18 0.00 0.00 0.00 175.10 175.43 2k5r n LEU 72 N 8.47 4.07 -4.75 3.92 4.77 -1.26 -4.29 117.00 127.94 2k5r n LEU 72 Ca 0.05 -2.09 -0.40 0.00 -0.03 0.00 0.00 56.01 53.54 2k5r n LEU 72 Cb 0.48 -0.63 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 2k5r n LEU 72 CO 0.69 0.54 0.72 -0.76 -1.33 0.00 0.00 177.39 177.26 2k5r s LEU 73 N -1.69 4.58 0.33 2.23 1.43 -1.26 -4.96 118.68 119.34 2k5r s LEU 73 Ca 0.32 2.07 0.05 0.00 -1.03 0.00 0.00 54.13 55.55 2k5r s LEU 73 Cb 0.25 -3.61 0.70 0.00 0.03 0.00 0.00 46.19 43.56 2k5r s LEU 73 CO 0.09 -0.02 1.88 1.55 0.23 0.00 0.00 176.35 180.08 2k5r h PRO 74 N 4.30 0.80 0.00 1.29 0.13 -2.01 -1.18 132.00 135.34 2k5r h PRO 74 Ca -0.45 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k5r h PRO 74 Cb 1.21 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2k5r h PRO 74 CO 0.69 0.53 0.00 -0.85 -0.23 0.00 0.00 178.00 178.14 2k5r n GLU 75 N -4.55 0.28 0.00 0.86 0.00 -1.26 -2.18 120.64 113.78 2k5r n GLU 75 Ca 0.16 0.09 0.13 0.00 0.00 0.00 0.00 57.16 57.54 2k5r n GLU 75 Cb 0.36 -1.50 0.36 0.00 0.00 0.00 0.00 31.44 30.67 2k5r n GLU 75 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2k5r n GLU 76 N -1.30 0.39 -1.83 3.44 -0.58 -0.45 -3.77 120.64 116.54 2k5r n GLU 76 Ca 0.09 -0.21 -0.42 0.00 -0.42 0.00 0.00 57.16 56.21 2k5r n GLU 76 Cb 0.17 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.51 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 -2.75 3.73 -0.18 0.62 0.00 -0.93 -4.00 121.76 118.24 2k5r s ALA 77 Ca 0.18 1.32 -0.05 0.00 0.00 0.00 0.00 51.96 53.42 2k5r s ALA 77 Cb 0.19 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 2k5r s ALA 77 CO 0.60 -1.14 -0.00 0.42 0.00 0.00 0.00 175.76 175.63 2k5r s ILE 78 N 2.60 4.04 -0.57 0.00 -1.09 0.44 -1.78 121.20 124.84 2k5r s ILE 78 Ca 0.77 -0.29 -0.25 0.00 -2.23 0.00 0.00 60.65 58.65 2k5r s ILE 78 Cb -0.43 -2.81 0.04 0.00 -1.58 0.00 0.00 42.46 37.69 2k5r s ILE 78 CO 0.34 0.45 0.98 0.00 -1.23 0.00 0.00 174.94 175.49 2k5r s ALA 79 N 0.71 3.12 0.53 9.38 0.00 -1.26 -2.30 121.76 131.95 2k5r s ALA 79 Ca -0.00 -1.24 0.21 0.00 0.00 0.00 0.00 51.96 50.92 2k5r s ALA 79 Cb -0.14 -3.80 1.37 0.00 0.00 0.00 0.00 23.12 20.55 2k5r s ALA 79 CO 0.02 -2.48 2.10 1.79 0.00 0.00 0.00 175.76 177.20 2k5r h THR 80 N 6.03 0.85 0.00 0.00 1.35 -1.95 -2.44 112.91 116.75 2k5r h THR 80 Ca -0.26 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2k5r h THR 80 Cb 1.07 0.91 -0.00 0.00 -1.73 0.00 0.00 68.15 68.40 2k5r h THR 80 CO 1.11 0.00 -0.02 -0.29 -0.25 0.00 0.00 175.52 176.07 2k5r h ILE 81 N 0.00 0.51 -0.36 6.82 6.09 -1.91 -1.97 117.51 126.68 2k5r h ILE 81 Ca 0.08 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.48 2k5r h ILE 81 Cb 0.35 1.06 0.00 0.00 0.47 0.00 0.00 36.82 38.70 2k5r h ILE 81 CO -0.00 0.02 0.00 0.00 -3.07 0.00 0.00 178.15 175.10 2k5r n GLN 82 N -3.77 3.46 -3.13 2.19 -0.00 -0.92 -4.90 117.38 110.31 2k5r n GLN 82 Ca -0.03 -2.89 -0.44 0.00 -0.00 0.00 0.00 57.00 53.65 2k5r n GLN 82 Cb 0.11 -1.92 -0.06 0.00 -0.00 0.00 0.00 30.24 28.37 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 -2.67 4.84 0.54 -0.39 -1.09 -0.74 -4.85 121.20 116.82 2k5r s ILE 83 Ca 0.45 -0.60 0.24 0.00 -2.23 0.00 0.00 60.65 58.51 2k5r s ILE 83 Cb 0.35 -4.36 0.37 0.00 -1.58 0.00 0.00 42.46 37.24 2k5r s ILE 83 CO 0.12 -0.91 2.03 0.00 -1.23 0.00 0.00 174.94 174.94 2k5r h ALA 84 N 9.06 2.34 -0.67 9.38 0.00 -1.88 -0.58 119.26 136.91 2k5r h ALA 84 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2k5r h ALA 84 Cb 1.09 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2k5r h ALA 84 CO 1.01 -0.52 0.00 0.09 0.00 0.00 0.00 179.25 179.83 2k5r n ASN 85 N -4.32 3.73 -4.71 0.00 5.03 -1.26 -4.97 115.26 108.76 2k5r n ASN 85 Ca 0.07 -2.05 -0.42 0.00 0.87 0.00 0.00 54.58 53.05 2k5r n ASN 85 Cb 0.50 -0.47 -0.03 0.00 -1.02 0.00 0.00 39.78 38.77 2k5r n ASN 85 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 2k5r s PHE 86 N -1.19 3.33 -0.86 3.10 5.36 -0.23 -4.92 117.98 122.56 2k5r s PHE 86 Ca 0.46 1.13 -0.25 0.00 -0.96 0.00 0.00 56.93 57.31 2k5r s PHE 86 Cb 0.24 -3.54 -0.06 0.00 -0.34 0.00 0.00 43.02 39.33 2k5r s PHE 86 CO 0.30 -1.79 2.00 -2.14 -1.46 0.00 0.00 175.22 172.13 2k5r s PRO 87 N 1.16 2.44 0.78 10.12 0.02 -1.26 -4.97 135.00 143.28 2k5r s PRO 87 Ca 0.61 -0.11 -0.13 0.00 0.02 0.00 0.00 61.00 61.39 2k5r s PRO 87 Cb -0.33 -4.98 0.19 0.00 0.02 0.00 0.00 34.50 29.41 2k5r s PRO 87 CO 0.29 -3.47 0.87 -3.47 -0.33 0.00 0.00 177.00 170.89 2k5r n ASP 88 N 14.50 -0.82 -4.86 2.53 2.03 -1.26 -5.09 116.55 123.58 2k5r n ASP 88 Ca 0.40 -1.16 -0.29 0.00 0.52 0.00 0.00 54.79 54.25 2k5r n ASP 88 Cb 0.47 -0.72 -0.03 0.00 -0.72 0.00 0.00 41.12 40.12 2k5r n ASP 88 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k5r s LYS 89 N -4.92 2.24 -1.08 -0.67 3.01 -1.26 -5.05 119.74 112.00 2k5r s LYS 89 Ca 0.52 -2.17 -0.18 0.00 -1.01 0.00 0.00 55.97 53.13 2k5r s LYS 89 Cb -0.03 -1.90 0.12 0.00 -1.01 0.00 0.00 37.83 35.01 2k5r s LYS 89 CO 0.38 -0.55 1.36 -1.17 0.51 0.00 0.00 175.35 175.88 2k5r s LEU 90 N -4.15 4.59 -0.24 3.17 2.96 -1.26 -4.97 118.68 118.78 2k5r s LEU 90 Ca 0.23 -2.26 -0.01 0.00 -0.22 0.00 0.00 54.13 51.88 2k5r s LEU 90 Cb -0.01 -2.46 0.03 0.00 0.50 0.00 0.00 46.19 44.25 2k5r s LEU 90 CO 0.14 -1.07 -0.08 -1.83 -1.32 0.00 0.00 176.35 172.19 2k5r s GLU 91 N 3.02 2.73 0.07 1.98 -1.05 -1.26 -5.02 118.70 119.17 2k5r s GLU 91 Ca 0.41 -1.04 -0.25 0.00 -0.15 0.00 0.00 54.97 53.94 2k5r s GLU 91 Cb -0.02 -2.92 -0.16 0.00 -0.44 0.00 0.00 34.13 30.58 2k5r s GLU 91 CO -0.04 -0.41 1.64 0.45 0.95 0.00 0.00 175.26 177.84 2k5r h HIS 92 N 7.96 -0.20 -1.62 4.83 3.86 -2.08 -3.28 115.15 124.62 2k5r h HIS 92 Ca -0.32 -0.00 -0.71 0.00 -1.16 0.00 0.00 60.37 58.18 2k5r h HIS 92 Cb 1.10 0.07 -0.14 0.00 1.06 0.00 0.00 27.41 29.50 2k5r h HIS 92 CO 0.58 -0.07 1.67 -1.58 0.86 0.00 0.00 177.93 179.39 2k5r s HIS 93 N -5.90 3.16 -0.01 2.45 5.65 -1.26 -4.86 115.29 114.52 2k5r s HIS 93 Ca -0.14 -1.85 -0.14 0.00 0.25 0.00 0.00 55.06 53.18 2k5r s HIS 93 Cb 0.05 -4.50 -0.08 0.00 -1.18 0.00 0.00 32.58 26.87 2k5r s HIS 93 CO 0.65 -1.59 0.74 1.25 -0.65 0.00 0.00 174.74 175.13 2k5r h HIS 94 N 7.50 -0.46 0.00 3.88 2.76 -2.02 -3.46 115.15 123.35 2k5r h HIS 94 Ca 0.36 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 2k5r h HIS 94 Cb 0.88 0.15 0.00 0.00 1.55 0.00 0.00 27.41 30.00 2k5r h HIS 94 CO 1.24 -0.29 0.00 1.58 -1.30 0.00 0.00 177.93 179.16 2k5r n HIS 95 N -4.24 0.00 -1.66 5.26 -0.00 -1.26 -4.94 115.22 108.37 2k5r n HIS 95 Ca -0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.24 2k5r n HIS 95 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.19 2k5r n HIS 95 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k5r n HIS 96 N 0.00 1.83 -0.93 1.57 -0.00 -1.26 -5.30 115.22 111.12 2k5r n HIS 96 Ca 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 57.72 58.28 2k5r n HIS 96 Cb 0.00 -2.34 0.00 0.00 -0.00 0.00 0.00 29.99 27.65 2k5r n HIS 96 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06