#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 5.08 0.26 3.17 8.00 -1.26 -4.41 116.55 127.39 2k5r n ASP 2 Ca 0.00 -2.38 0.10 0.00 0.71 0.00 0.00 54.79 53.22 2k5r n ASP 2 Cb 0.00 -1.18 0.71 0.00 -0.02 0.00 0.00 41.12 40.62 2k5r n ASP 2 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2k5r h ARG 3 N 1.86 0.00 -0.02 -1.24 -0.00 -2.07 0.45 114.38 113.36 2k5r h ARG 3 Ca 0.07 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.53 2k5r h ARG 3 Cb 1.14 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.11 2k5r h ARG 3 CO 0.09 0.07 -0.07 0.87 0.00 0.00 0.00 179.97 180.93 2k5r h LYS 4 N 0.00 0.03 0.01 0.04 1.57 -2.05 -2.94 116.57 113.24 2k5r h LYS 4 Ca -0.00 -0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 2k5r h LYS 4 Cb 0.15 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 2k5r h LYS 4 CO 0.01 0.11 -1.97 1.28 -0.57 0.00 0.00 179.45 178.31 2k5r n LEU 5 N -4.44 0.91 0.00 2.94 7.99 0.01 -4.29 117.00 120.12 2k5r n LEU 5 Ca -0.02 0.25 0.03 0.00 -0.01 0.00 0.00 56.01 56.26 2k5r n LEU 5 Cb 0.16 0.08 0.20 0.00 -0.11 0.00 0.00 43.42 43.75 2k5r n LEU 5 CO 0.35 0.49 0.40 0.18 -1.51 0.00 0.00 177.39 177.31 2k5r n LEU 6 N -3.02 0.00 0.04 2.23 4.77 -0.37 -2.52 117.00 118.13 2k5r n LEU 6 Ca -0.24 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.81 2k5r n LEU 6 Cb 1.08 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 42.48 2k5r n LEU 6 CO 0.43 0.00 0.72 0.00 -1.33 0.00 0.00 177.39 177.21 2k5r n HIS 7 N -0.82 0.22 1.04 -1.77 1.44 -1.24 -2.15 115.22 111.95 2k5r n HIS 7 Ca 0.05 0.09 0.04 0.00 -2.01 0.00 0.00 57.72 55.89 2k5r n HIS 7 Cb 0.02 -0.65 0.12 0.00 0.12 0.00 0.00 29.99 29.60 2k5r n HIS 7 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2k5r n LEU 8 N -1.71 1.59 -4.68 2.39 4.77 -1.05 -4.91 117.00 113.40 2k5r n LEU 8 Ca 0.02 -0.80 -0.45 0.00 -0.03 0.00 0.00 56.01 54.75 2k5r n LEU 8 Cb 0.14 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 2k5r n LEU 8 CO 0.12 0.35 1.43 -0.11 -1.33 0.00 0.00 177.39 177.85 2k5r n LEU 9 N 0.25 3.67 -4.71 2.23 0.00 -0.91 -4.94 117.00 112.58 2k5r n LEU 9 Ca 0.09 1.00 -0.42 0.00 0.00 0.00 0.00 56.01 56.68 2k5r n LEU 9 Cb 0.28 -1.47 -0.03 0.00 0.00 0.00 0.00 43.42 42.20 2k5r n LEU 9 CO 0.07 0.01 0.69 0.00 0.00 0.00 0.00 177.39 178.16 2k5r s SER 11 N 1.00 2.09 0.85 0.00 1.04 -1.26 -5.15 113.70 112.27 2k5r s SER 11 Ca 0.52 -0.79 -0.11 0.00 0.48 0.00 0.00 55.95 56.06 2k5r s SER 11 Cb -0.22 -0.08 0.10 0.00 0.10 0.00 0.00 66.02 65.93 2k5r s SER 11 CO 0.28 -0.11 1.10 -2.84 0.98 0.00 0.00 173.24 172.65 2k5r s PRO 12 N -2.53 1.61 0.47 4.02 0.02 -1.26 -4.92 135.00 132.41 2k5r s PRO 12 Ca 0.08 1.13 0.31 0.00 0.02 0.00 0.00 61.00 62.55 2k5r s PRO 12 Cb -0.06 -1.83 1.70 0.00 0.02 0.00 0.00 34.50 34.33 2k5r s PRO 12 CO 0.03 -2.08 1.96 -0.44 -0.33 0.00 0.00 177.00 176.14 2k5r h ASP 13 N -1.45 0.00 -0.26 2.53 3.32 -2.03 -1.99 116.42 116.54 2k5r h ASP 13 Ca -0.46 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 2k5r h ASP 13 Cb 1.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 2k5r h ASP 13 CO 0.50 0.00 0.14 0.71 -1.72 0.00 0.00 179.24 178.87 2k5r h THR 14 N 0.00 1.10 -3.11 0.35 1.35 -2.02 -3.38 112.91 107.19 2k5r h THR 14 Ca 0.00 -0.29 -0.53 0.00 -0.55 0.00 0.00 66.41 65.04 2k5r h THR 14 Cb 0.01 0.73 -0.40 0.00 -1.73 0.00 0.00 68.15 66.76 2k5r h THR 14 CO 0.00 0.12 -0.76 0.00 -0.25 0.00 0.00 175.52 174.62 2k5r s ARG 15 N -5.26 0.51 0.23 4.72 1.70 -0.75 -5.14 118.95 114.96 2k5r s ARG 15 Ca -0.07 -0.58 0.06 0.00 -0.47 0.00 0.00 55.73 54.66 2k5r s ARG 15 Cb 0.17 -1.85 -0.05 0.00 -0.57 0.00 0.00 34.95 32.65 2k5r s ARG 15 CO 0.72 -0.82 -0.08 -0.65 -1.08 0.00 0.00 175.30 173.39 2k5r s GLN 16 N 1.87 1.37 0.00 3.89 -0.21 -1.26 -4.55 119.66 120.77 2k5r s GLN 16 Ca 0.04 -1.65 0.00 0.00 0.02 0.00 0.00 55.36 53.77 2k5r s GLN 16 Cb -0.17 -0.95 0.00 0.00 1.00 0.00 0.00 33.01 32.89 2k5r s GLN 16 CO -0.19 0.06 0.49 -0.35 -2.12 0.00 0.00 175.29 173.18 2k5r n PRO 17 N -0.43 0.57 -4.06 2.91 -0.04 -1.26 -4.58 135.00 128.10 2k5r n PRO 17 Ca -0.07 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.26 2k5r n PRO 17 Cb 0.62 -1.08 -0.12 0.00 -0.04 0.00 0.00 33.50 32.88 2k5r n PRO 17 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2k5r s LEU 18 N -0.72 2.22 0.19 1.53 1.43 -1.26 -0.84 118.68 121.23 2k5r s LEU 18 Ca 0.00 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 2k5r s LEU 18 Cb 0.00 -0.15 0.02 0.00 0.03 0.00 0.00 46.19 46.09 2k5r s LEU 18 CO 0.00 -0.18 0.45 -0.44 0.23 0.00 0.00 176.35 176.42 2k5r s SER 19 N -1.36 -0.17 0.10 2.29 0.01 0.73 -4.78 113.70 110.53 2k5r s SER 19 Ca -0.09 -0.60 -0.31 0.00 1.31 0.00 0.00 55.95 56.26 2k5r s SER 19 Cb -0.09 0.54 -0.08 0.00 0.21 0.00 0.00 66.02 66.60 2k5r s SER 19 CO 0.00 -1.01 1.38 -0.22 0.41 0.00 0.00 173.24 173.80 2k5r s LEU 20 N -2.90 4.37 -0.04 2.44 1.98 -1.26 0.49 118.68 123.75 2k5r s LEU 20 Ca 0.12 2.29 -0.30 0.00 -2.89 0.00 0.00 54.13 53.35 2k5r s LEU 20 Cb 0.00 -3.58 -0.05 0.00 0.66 0.00 0.00 46.19 43.22 2k5r s LEU 20 CO -0.02 -0.65 1.50 -0.22 -1.89 0.00 0.00 176.35 175.08 2k5r s LEU 21 N 1.22 4.30 0.30 -0.68 2.96 -0.17 -4.57 118.68 122.06 2k5r s LEU 21 Ca 0.64 2.14 -0.29 0.00 -0.22 0.00 0.00 54.13 56.40 2k5r s LEU 21 Cb -0.36 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.68 2k5r s LEU 21 CO 0.30 -0.82 1.28 -1.83 -1.32 0.00 0.00 176.35 173.96 2k5r s GLU 22 N 3.19 4.40 0.42 1.98 -1.05 -1.26 -4.76 118.70 121.63 2k5r s GLU 22 Ca 0.67 2.14 0.18 0.00 -0.15 0.00 0.00 54.97 57.81 2k5r s GLU 22 Cb -0.32 -3.11 1.10 0.00 -0.44 0.00 0.00 34.13 31.36 2k5r s GLU 22 CO 0.26 -0.15 1.87 0.66 0.95 0.00 0.00 175.26 178.85 2k5r h SER 23 N 3.80 0.39 -0.15 0.83 4.64 -1.99 -0.67 113.55 120.41 2k5r h SER 23 Ca -0.48 0.04 0.05 0.00 -0.47 0.00 0.00 61.79 60.93 2k5r h SER 23 Cb 1.22 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 63.22 2k5r h SER 23 CO 0.68 0.16 -0.19 0.50 -0.87 0.00 0.00 176.83 177.11 2k5r h LYS 24 N 0.39 -0.21 0.00 4.77 1.63 -2.03 -2.46 116.57 118.66 2k5r h LYS 24 Ca 0.45 0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 60.15 2k5r h LYS 24 Cb 1.15 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.81 2k5r h LYS 24 CO -0.16 -0.14 -0.58 0.78 -3.45 0.00 0.00 179.45 175.90 2k5r h GLY 25 N -0.22 0.00 0.34 5.01 0.00 -1.66 -3.34 103.07 103.20 2k5r h GLY 25 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.56 2k5r h GLY 25 CO -0.28 0.00 0.47 -2.00 0.00 0.00 0.00 176.54 174.73 2k5r h LEU 26 N 0.00 0.62 -1.46 3.11 5.85 -0.67 -0.40 115.31 122.36 2k5r h LEU 26 Ca -0.01 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2k5r h LEU 26 Cb 1.22 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 2k5r h LEU 26 CO 0.08 0.30 0.25 1.05 -0.34 0.00 0.00 178.44 179.77 2k5r h GLU 27 N 0.71 0.62 -0.95 1.25 4.11 -1.67 -2.31 114.58 116.34 2k5r h GLU 27 Ca 0.45 -0.06 0.02 0.00 0.07 0.00 0.00 59.36 59.84 2k5r h GLU 27 Cb 0.55 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 2k5r h GLU 27 CO -0.32 0.45 0.63 0.00 0.07 0.00 0.00 179.01 179.85 2k5r h ALA 28 N 1.65 1.22 0.25 1.06 0.00 -1.27 0.63 119.26 122.80 2k5r h ALA 28 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2k5r h ALA 28 Cb 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.44 2k5r h ALA 28 CO -0.03 0.57 -0.12 -0.07 0.00 0.00 0.00 179.25 179.60 2k5r h LEU 29 N 1.26 -0.28 -0.39 0.00 -0.00 -1.38 -2.15 115.31 112.37 2k5r h LEU 29 Ca 0.36 -0.14 0.04 0.00 -0.00 0.00 0.00 57.88 58.14 2k5r h LEU 29 Cb -0.10 0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 40.59 2k5r h LEU 29 CO -0.09 -0.02 0.17 0.78 -0.00 0.00 0.00 178.44 179.28 2k5r h ASN 30 N -0.55 0.22 -0.64 -0.43 2.35 -1.09 0.74 115.58 116.19 2k5r h ASN 30 Ca -0.03 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 2k5r h ASN 30 Cb 0.41 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 2k5r h ASN 30 CO 0.06 0.17 0.27 0.11 -1.65 0.00 0.00 177.43 176.38 2k5r h LYS 31 N 0.35 0.94 -0.41 0.81 1.57 -0.95 -0.41 116.57 118.47 2k5r h LYS 31 Ca 0.17 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2k5r h LYS 31 Cb 0.12 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2k5r h LYS 31 CO -0.15 0.78 0.11 0.00 -0.57 0.00 0.00 179.45 179.62 2k5r h ALA 32 N 1.11 1.43 -0.34 3.86 0.00 -0.88 0.44 119.26 124.88 2k5r h ALA 32 Ca 0.21 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2k5r h ALA 32 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k5r h ALA 32 CO -0.02 0.42 0.08 0.82 0.00 0.00 0.00 179.25 180.54 2k5r h ILE 33 N 0.59 1.23 -0.49 0.00 2.04 -0.28 0.35 117.51 120.93 2k5r h ILE 33 Ca 0.14 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 2k5r h ILE 33 Cb 0.21 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2k5r h ILE 33 CO -0.01 0.26 0.25 0.58 0.00 0.00 0.00 178.15 179.23 2k5r h VAL 34 N 0.40 1.16 0.00 1.67 2.07 -0.59 -1.01 116.25 119.95 2k5r h VAL 34 Ca 0.11 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 2k5r h VAL 34 Cb 0.31 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2k5r h VAL 34 CO 0.00 0.18 -0.22 -1.28 0.02 0.00 0.00 177.57 176.28 2k5r h SER 35 N 0.69 0.00 -0.11 0.57 0.87 -0.64 -3.47 113.55 111.45 2k5r h SER 35 Ca 0.17 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 2k5r h SER 35 Cb 0.05 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2k5r h SER 35 CO -0.03 0.22 -0.03 0.61 -0.53 0.00 0.00 176.83 177.07 2k5r n GLY 36 N 0.30 0.46 1.25 5.77 0.00 0.02 -4.93 105.19 108.07 2k5r n GLY 36 Ca 0.01 -0.97 0.11 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.18 0.85 -3.42 2.61 5.66 -0.66 -4.88 114.28 111.25 2k5r n THR 37 Ca -0.02 -0.89 -0.40 0.00 -3.05 0.00 0.00 64.05 59.69 2k5r n THR 37 Cb 0.15 0.55 -0.09 0.00 -1.55 0.00 0.00 70.33 69.40 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 -1.15 5.18 -0.05 1.08 1.01 -1.24 -4.72 120.40 120.50 2k5r s VAL 38 Ca 0.45 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 2k5r s VAL 38 Cb 0.24 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2k5r s VAL 38 CO 0.32 0.02 0.02 -1.10 0.00 0.00 0.00 175.10 174.36 2k5r s GLN 39 N 2.01 2.97 0.47 2.72 -0.21 -1.26 -0.87 119.66 125.49 2k5r s GLN 39 Ca 0.12 -0.46 -0.24 0.00 0.02 0.00 0.00 55.36 54.81 2k5r s GLN 39 Cb -0.16 -2.79 -0.07 0.00 1.00 0.00 0.00 33.01 30.99 2k5r s GLN 39 CO 0.11 0.68 1.27 1.03 -2.12 0.00 0.00 175.29 176.26 2k5r s ARG 40 N -1.19 3.64 0.49 2.91 1.81 0.97 -4.07 118.95 123.52 2k5r s ARG 40 Ca 0.16 2.04 0.20 0.00 -1.72 0.00 0.00 55.73 56.41 2k5r s ARG 40 Cb -0.11 -2.48 1.08 0.00 -0.45 0.00 0.00 34.95 32.99 2k5r s ARG 40 CO 0.06 -0.72 1.55 0.00 -0.68 0.00 0.00 175.30 175.51 2k5r h ALA 41 N 2.08 1.29 0.02 2.13 0.00 -1.40 0.36 119.26 123.75 2k5r h ALA 41 Ca -0.50 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.16 2k5r h ALA 41 Cb 1.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2k5r h ALA 41 CO 0.60 -0.29 -1.26 0.22 0.00 0.00 0.00 179.25 178.51 2k5r h ASP 42 N 0.00 0.08 0.00 0.00 3.58 -1.82 -3.48 116.42 114.78 2k5r h ASP 42 Ca 0.00 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2k5r h ASP 42 Cb 0.69 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2k5r h ASP 42 CO 0.00 1.09 0.00 0.61 -2.88 0.00 0.00 179.24 178.06 2k5r n GLY 43 N 1.46 3.62 3.69 -0.78 0.00 0.13 -5.15 105.19 108.15 2k5r n GLY 43 Ca -0.07 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 3.22 0.12 1.61 0.15 -1.26 -4.49 113.70 113.04 2k5r s SER 44 Ca 0.00 1.63 -0.25 0.00 0.70 0.00 0.00 55.95 58.03 2k5r s SER 44 Cb 0.00 -2.29 -0.07 0.00 -1.71 0.00 0.00 66.02 61.96 2k5r s SER 44 CO 0.00 -2.82 0.78 -0.63 1.20 0.00 0.00 173.24 171.77 2k5r s ILE 45 N -2.83 4.51 -0.39 6.45 -1.09 -1.26 -0.02 121.20 126.57 2k5r s ILE 45 Ca 0.64 1.69 -0.11 0.00 -2.23 0.00 0.00 60.65 60.64 2k5r s ILE 45 Cb -0.19 -4.14 0.04 0.00 -1.58 0.00 0.00 42.46 36.59 2k5r s ILE 45 CO 0.58 0.45 0.23 -1.58 -1.23 0.00 0.00 174.94 173.39 2k5r s GLN 46 N -0.68 2.79 -0.19 2.79 0.74 -0.05 -4.85 119.66 120.21 2k5r s GLN 46 Ca 0.37 -1.16 0.15 0.00 0.05 0.00 0.00 55.36 54.78 2k5r s GLN 46 Cb -0.22 -3.76 0.67 0.00 1.10 0.00 0.00 33.01 30.79 2k5r s GLN 46 CO 0.25 -0.76 1.58 0.27 -0.55 0.00 0.00 175.29 176.08 2k5r n ASN 47 N 5.00 4.73 -4.44 6.67 0.23 -1.26 -4.67 115.26 121.52 2k5r n ASN 47 Ca -0.12 -2.91 -0.41 0.00 -0.53 0.00 0.00 54.58 50.62 2k5r n ASN 47 Cb 0.45 -0.60 -0.11 0.00 -2.08 0.00 0.00 39.78 37.45 2k5r n ASN 47 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 2k5r s GLN 48 N -2.68 3.11 -0.05 -3.83 -0.21 -1.26 -4.92 119.66 109.82 2k5r s GLN 48 Ca 0.48 -0.89 -0.30 0.00 0.02 0.00 0.00 55.36 54.66 2k5r s GLN 48 Cb 0.37 -3.77 -0.04 0.00 1.00 0.00 0.00 33.01 30.57 2k5r s GLN 48 CO 0.13 -0.60 1.39 -1.54 -2.12 0.00 0.00 175.29 172.56 2k5r s SER 49 N 1.63 6.86 -0.18 5.90 1.04 -1.26 -5.01 113.70 122.68 2k5r s SER 49 Ca 0.04 2.00 -0.08 0.00 0.48 0.00 0.00 55.95 58.40 2k5r s SER 49 Cb -0.18 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.35 2k5r s SER 49 CO 0.08 -0.75 0.07 -1.48 0.98 0.00 0.00 173.24 172.14 2k5r s LEU 50 N 2.92 3.84 0.00 2.42 0.05 -1.26 -4.99 118.68 121.66 2k5r s LEU 50 Ca 0.62 0.09 0.17 0.00 0.05 0.00 0.00 54.13 55.06 2k5r s LEU 50 Cb -0.29 -1.97 0.41 0.00 -2.05 0.00 0.00 46.19 42.29 2k5r s LEU 50 CO 0.24 0.18 1.33 1.41 -0.55 0.00 0.00 176.35 178.95 2k5r n HIS 51 N 3.53 0.59 -3.67 3.48 8.25 -1.26 -4.72 115.22 121.41 2k5r n HIS 51 Ca -0.17 -0.41 -0.11 0.00 -0.26 0.00 0.00 57.72 56.77 2k5r n HIS 51 Cb 0.52 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.53 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 -1.07 0.61 0.33 -0.41 2.56 -1.26 -5.10 118.70 114.35 2k5r s GLU 52 Ca 0.33 0.92 -0.18 0.00 0.00 0.00 0.00 54.97 56.04 2k5r s GLU 52 Cb 0.18 0.18 0.05 0.00 2.00 0.00 0.00 34.13 36.53 2k5r s GLU 52 CO 0.24 -0.12 0.79 0.00 -0.56 0.00 0.00 175.26 175.61 2k5r s ALA 53 N 0.99 -0.97 -0.10 6.30 0.00 -1.26 -2.44 121.76 124.27 2k5r s ALA 53 Ca -0.05 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.38 2k5r s ALA 53 Cb -0.05 0.73 -0.00 0.00 0.00 0.00 0.00 23.12 23.79 2k5r s ALA 53 CO -0.09 -1.01 -0.23 -0.51 0.00 0.00 0.00 175.76 173.92 2k5r s LEU 54 N -3.04 2.16 -0.17 0.00 1.43 0.47 -0.99 118.68 118.54 2k5r s LEU 54 Ca 0.14 -0.53 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 2k5r s LEU 54 Cb -0.05 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 2k5r s LEU 54 CO 0.09 0.16 0.10 -0.51 0.23 0.00 0.00 176.35 176.43 2k5r s ILE 55 N 0.34 5.16 0.57 -0.59 1.10 0.18 -0.27 121.20 127.70 2k5r s ILE 55 Ca -0.18 0.10 -0.20 0.00 -0.51 0.00 0.00 60.65 59.86 2k5r s ILE 55 Cb -0.18 -3.32 -0.04 0.00 0.15 0.00 0.00 42.46 39.07 2k5r s ILE 55 CO 0.09 0.49 1.23 0.42 -2.11 0.00 0.00 174.94 175.05 2k5r s THR 56 N 0.02 2.59 0.40 4.00 -4.23 -0.83 -0.19 115.64 117.40 2k5r s THR 56 Ca 0.08 0.39 0.10 0.00 -1.18 0.00 0.00 61.69 61.08 2k5r s THR 56 Cb -0.12 -3.17 0.31 0.00 1.34 0.00 0.00 72.50 70.87 2k5r s THR 56 CO 0.00 -0.06 1.96 -0.09 -0.54 0.00 0.00 174.62 175.89 2k5r h ARG 57 N 1.10 0.56 -0.06 3.99 2.43 -1.23 0.81 114.38 121.98 2k5r h ARG 57 Ca -0.50 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 2k5r h ARG 57 Cb 1.29 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2k5r h ARG 57 CO 0.56 0.37 0.00 -0.25 -1.51 0.00 0.00 179.97 179.14 2k5r n ASP 58 N -4.48 1.88 -3.37 -3.80 8.00 -1.26 -4.94 116.55 108.57 2k5r n ASP 58 Ca 0.11 -1.65 -0.23 0.00 0.71 0.00 0.00 54.79 53.74 2k5r n ASP 58 Cb 0.33 -0.03 0.07 0.00 -0.02 0.00 0.00 41.12 41.47 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 0.46 -7.10 -0.08 -1.24 3.00 0.28 -4.94 116.66 107.04 2k5r n ARG 59 Ca 0.18 0.82 -0.21 0.00 -0.01 0.00 0.00 57.85 58.63 2k5r n ARG 59 Cb 0.40 -5.74 -0.13 0.00 0.00 0.00 0.00 32.46 26.99 2k5r n ARG 59 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2k5r n LYS 60 N -4.66 0.68 -4.28 5.56 2.85 -1.26 -4.75 118.16 112.30 2k5r n LYS 60 Ca -0.01 0.23 -0.16 0.00 -1.05 0.00 0.00 58.31 57.31 2k5r n LYS 60 Cb 0.57 -1.60 -0.10 0.00 -0.65 0.00 0.00 35.03 33.25 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 -2.52 1.15 -0.10 -1.58 -1.52 -1.26 -2.08 119.66 111.74 2k5r s GLN 61 Ca -0.30 -1.46 -0.00 0.00 -1.95 0.00 0.00 55.36 51.65 2k5r s GLN 61 Cb 0.08 -0.86 0.02 0.00 -0.22 0.00 0.00 33.01 32.04 2k5r s GLN 61 CO 0.65 0.14 -0.08 0.08 -0.25 0.00 0.00 175.29 175.83 2k5r s VAL 62 N -2.95 1.00 0.38 1.09 1.01 0.48 -1.97 120.40 119.43 2k5r s VAL 62 Ca 0.17 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2k5r s VAL 62 Cb -0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 2k5r s VAL 62 CO 0.03 0.36 0.57 -0.36 0.00 0.00 0.00 175.10 175.70 2k5r s PHE 63 N 1.53 3.26 0.04 5.22 0.08 0.63 0.06 117.98 128.81 2k5r s PHE 63 Ca 0.01 0.11 0.07 0.00 0.12 0.00 0.00 56.93 57.25 2k5r s PHE 63 Cb -0.13 -2.09 -0.03 0.00 -0.57 0.00 0.00 43.02 40.19 2k5r s PHE 63 CO -0.06 -0.12 -0.18 0.50 -0.10 0.00 0.00 175.22 175.26 2k5r s ARG 64 N -4.37 2.05 -0.10 0.44 3.52 -1.25 -0.39 118.95 118.86 2k5r s ARG 64 Ca 0.45 -0.99 0.01 0.00 -0.13 0.00 0.00 55.73 55.07 2k5r s ARG 64 Cb -0.10 -2.18 -0.02 0.00 -1.56 0.00 0.00 34.95 31.10 2k5r s ARG 64 CO 0.35 0.54 -0.13 0.42 -0.81 0.00 0.00 175.30 175.66 2k5r s ILE 65 N -0.93 3.07 -0.08 4.11 1.01 -1.02 -1.75 121.20 125.61 2k5r s ILE 65 Ca 0.15 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2k5r s ILE 65 Cb -0.10 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.13 2k5r s ILE 65 CO 0.05 0.55 -0.11 -1.83 0.00 0.00 0.00 174.94 173.60 2k5r s GLU 66 N -0.07 1.70 0.00 2.79 -1.05 -0.98 -4.72 118.70 116.36 2k5r s GLU 66 Ca -0.02 -0.39 0.00 0.00 -0.15 0.00 0.00 54.97 54.41 2k5r s GLU 66 Cb -0.14 -1.47 0.00 0.00 -0.44 0.00 0.00 34.13 32.08 2k5r s GLU 66 CO 0.04 -0.04 0.00 -3.47 0.95 0.00 0.00 175.26 172.74 2k5r n ASP 67 N 4.06 0.00 0.00 0.83 2.03 -1.26 -1.64 116.55 120.57 2k5r n ASP 67 Ca -0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.10 2k5r n ASP 67 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 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 1.76 0.00 -4.67 1.67 2.88 -1.26 -5.13 113.62 108.87 2k5r n SER 68 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 2k5r n SER 68 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 0.00 4.40 -0.73 2.46 -1.09 -0.65 -4.99 121.20 120.60 2k5r s ILE 69 Ca 0.00 1.70 -0.27 0.00 -2.23 0.00 0.00 60.65 59.85 2k5r s ILE 69 Cb 0.00 -4.10 0.02 0.00 -1.58 0.00 0.00 42.46 36.80 2k5r s ILE 69 CO 0.00 -0.11 1.42 -2.16 -1.23 0.00 0.00 174.94 172.85 2k5r s PRO 70 N 3.09 3.09 -0.64 2.79 0.04 -1.26 -2.32 135.00 139.79 2k5r s PRO 70 Ca 0.52 -0.12 -0.27 0.00 0.04 0.00 0.00 61.00 61.17 2k5r s PRO 70 Cb -0.20 -4.30 0.02 0.00 0.04 0.00 0.00 34.50 30.06 2k5r s PRO 70 CO 0.14 -2.29 1.38 0.08 0.04 0.00 0.00 177.00 176.35 2k5r s VAL 71 N 6.44 3.75 -0.36 -0.36 1.01 -0.71 -4.86 120.40 125.30 2k5r s VAL 71 Ca 0.43 0.56 0.08 0.00 0.00 0.00 0.00 61.98 63.04 2k5r s VAL 71 Cb -0.08 -4.61 0.65 0.00 0.00 0.00 0.00 36.38 32.33 2k5r s VAL 71 CO 0.15 -1.43 1.69 0.18 0.00 0.00 0.00 175.10 175.69 2k5r n LEU 72 N 9.67 5.70 -4.76 3.92 4.77 -1.26 -3.76 117.00 131.28 2k5r n LEU 72 Ca 0.09 -2.97 -0.41 0.00 -0.03 0.00 0.00 56.01 52.70 2k5r n LEU 72 Cb 0.49 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 2k5r n LEU 72 CO 0.71 0.77 0.89 -0.76 -1.33 0.00 0.00 177.39 177.67 2k5r s LEU 73 N -2.63 4.48 0.21 2.23 1.43 -1.26 -4.95 118.68 118.19 2k5r s LEU 73 Ca 0.49 2.42 -0.09 0.00 -1.03 0.00 0.00 54.13 55.92 2k5r s LEU 73 Cb 0.39 -3.63 0.31 0.00 0.03 0.00 0.00 46.19 43.29 2k5r s LEU 73 CO 0.12 -0.35 1.74 1.55 0.23 0.00 0.00 176.35 179.64 2k5r h PRO 74 N 4.07 0.41 0.00 1.29 0.13 -1.97 0.45 132.00 136.38 2k5r h PRO 74 Ca -0.47 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k5r h PRO 74 Cb 1.22 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2k5r h PRO 74 CO 0.69 0.27 -0.01 1.05 -0.23 0.00 0.00 178.00 179.77 2k5r h GLU 75 N 0.42 0.00 0.00 0.86 4.11 -1.92 -1.42 114.58 116.63 2k5r h GLU 75 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.76 2k5r h GLU 75 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2k5r h GLU 75 CO -0.32 0.01 -0.26 -1.91 0.07 0.00 0.00 179.01 176.60 2k5r n GLU 76 N -3.20 0.18 -2.72 1.06 4.07 0.13 -3.98 120.64 116.17 2k5r n GLU 76 Ca -0.02 0.10 -0.43 0.00 -0.06 0.00 0.00 57.16 56.75 2k5r n GLU 76 Cb 0.14 -1.66 -0.03 0.00 -0.06 0.00 0.00 31.44 29.83 2k5r n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k5r s ALA 77 N -3.08 3.60 -0.02 4.31 0.00 -0.53 -4.14 121.76 121.90 2k5r s ALA 77 Ca 0.10 0.16 -0.25 0.00 0.00 0.00 0.00 51.96 51.97 2k5r s ALA 77 Cb 0.15 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 2k5r s ALA 77 CO 0.64 -0.89 0.76 0.42 0.00 0.00 0.00 175.76 176.68 2k5r s ILE 78 N 2.78 4.92 -0.33 0.00 1.09 0.11 -1.51 121.20 128.26 2k5r s ILE 78 Ca 0.43 1.58 -0.27 0.00 -1.10 0.00 0.00 60.65 61.29 2k5r s ILE 78 Cb -0.16 -4.10 0.01 0.00 -1.06 0.00 0.00 42.46 37.16 2k5r s ILE 78 CO 0.09 0.28 0.98 0.00 -0.10 0.00 0.00 174.94 176.19 2k5r s ALA 79 N 0.53 3.48 0.60 9.38 0.00 -1.26 -0.39 121.76 134.10 2k5r s ALA 79 Ca 0.40 -0.24 0.36 0.00 0.00 0.00 0.00 51.96 52.47 2k5r s ALA 79 Cb -0.19 -3.57 2.04 0.00 0.00 0.00 0.00 23.12 21.41 2k5r s ALA 79 CO 0.21 -1.47 2.29 1.79 0.00 0.00 0.00 175.76 178.58 2k5r h THR 80 N 5.74 0.31 0.00 0.00 1.35 -1.71 -1.75 112.91 116.84 2k5r h THR 80 Ca -0.22 -0.04 -0.00 0.00 -0.55 0.00 0.00 66.41 65.60 2k5r h THR 80 Cb 1.07 1.03 -0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2k5r h THR 80 CO 0.99 0.01 -0.00 -0.29 -0.25 0.00 0.00 175.52 175.98 2k5r h ILE 81 N 0.00 0.06 0.00 6.82 6.09 -1.90 -0.91 117.51 127.67 2k5r h ILE 81 Ca -0.00 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 2k5r h ILE 81 Cb 0.03 1.02 0.00 0.00 0.47 0.00 0.00 36.82 38.34 2k5r h ILE 81 CO 0.00 0.00 -1.17 0.00 -3.07 0.00 0.00 178.15 173.91 2k5r n GLN 82 N -3.16 0.31 -2.46 2.19 6.02 -0.66 -4.84 117.38 114.79 2k5r n GLN 82 Ca -0.03 -0.03 -0.39 0.00 -0.01 0.00 0.00 57.00 56.54 2k5r n GLN 82 Cb 0.08 -1.58 -0.03 0.00 1.02 0.00 0.00 30.24 29.73 2k5r n GLN 82 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2k5r s ILE 83 N -3.22 3.75 0.19 5.09 -1.09 -0.35 -4.82 121.20 120.75 2k5r s ILE 83 Ca 0.02 -0.22 0.34 0.00 -2.23 0.00 0.00 60.65 58.57 2k5r s ILE 83 Cb 0.14 -4.81 0.35 0.00 -1.58 0.00 0.00 42.46 36.57 2k5r s ILE 83 CO 0.83 -1.72 2.03 0.00 -1.23 0.00 0.00 174.94 174.85 2k5r h ALA 84 N 10.46 1.00 -0.30 9.38 0.00 -1.88 -1.80 119.26 136.13 2k5r h ALA 84 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k5r h ALA 84 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2k5r h ALA 84 CO 1.34 0.00 0.00 0.09 0.00 0.00 0.00 179.25 180.68 2k5r n ASN 85 N -2.77 1.87 -4.77 0.00 3.02 -1.26 -4.94 115.26 106.40 2k5r n ASN 85 Ca -0.01 -1.89 -0.41 0.00 -0.03 0.00 0.00 54.58 52.24 2k5r n ASN 85 Cb 0.13 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.09 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 -1.61 2.94 1.16 3.10 5.36 -0.68 -4.81 117.98 123.44 2k5r s PHE 86 Ca 0.27 1.32 -0.13 0.00 -0.96 0.00 0.00 56.93 57.44 2k5r s PHE 86 Cb 0.15 -3.77 0.28 0.00 -0.34 0.00 0.00 43.02 39.33 2k5r s PHE 86 CO 0.20 -2.20 1.03 -1.25 -1.46 0.00 0.00 175.22 171.54 2k5r s PRO 87 N -1.72 -0.90 0.51 10.12 0.04 -1.26 -5.01 135.00 136.76 2k5r s PRO 87 Ca 0.51 0.91 -0.14 0.00 0.04 0.00 0.00 61.00 62.32 2k5r s PRO 87 Cb -0.42 -1.55 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 2k5r s PRO 87 CO 0.54 -3.73 0.94 0.34 0.04 0.00 0.00 177.00 175.13 2k5r s ASP 88 N -2.47 6.53 0.14 6.66 2.15 -1.26 -5.09 116.67 123.32 2k5r s ASP 88 Ca 0.69 1.42 -0.25 0.00 0.43 0.00 0.00 52.55 54.84 2k5r s ASP 88 Cb -0.25 -2.45 0.07 0.00 -0.30 0.00 0.00 42.92 39.99 2k5r s ASP 88 CO 0.65 -0.59 1.01 -1.59 -0.17 0.00 0.00 175.17 174.47 2k5r s LYS 89 N -4.22 1.12 -0.15 4.34 -2.85 -1.26 -5.16 119.74 111.56 2k5r s LYS 89 Ca 0.56 -0.63 -0.03 0.00 -1.00 0.00 0.00 55.97 54.87 2k5r s LYS 89 Cb -0.10 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 36.02 2k5r s LYS 89 CO 0.35 -0.51 -0.05 -0.51 0.10 0.00 0.00 175.35 174.73 2k5r s LEU 90 N -2.99 3.17 -0.26 2.77 1.02 -1.26 -5.10 118.68 116.04 2k5r s LEU 90 Ca 0.13 -0.16 -0.02 0.00 0.02 0.00 0.00 54.13 54.10 2k5r s LEU 90 Cb -0.01 -1.76 0.08 0.00 0.02 0.00 0.00 46.19 44.53 2k5r s LEU 90 CO 0.02 0.17 0.08 -1.83 0.02 0.00 0.00 176.35 174.80 2k5r s GLU 91 N 0.36 0.59 -1.00 1.70 -1.05 -1.26 -5.07 118.70 112.98 2k5r s GLU 91 Ca -0.05 -0.69 -0.09 0.00 -0.15 0.00 0.00 54.97 53.98 2k5r s GLU 91 Cb -0.14 -1.89 0.25 0.00 -0.44 0.00 0.00 34.13 31.91 2k5r s GLU 91 CO 0.03 -0.85 0.96 -1.58 0.95 0.00 0.00 175.26 174.78 2k5r s HIS 92 N 1.81 4.07 -0.15 4.83 2.46 -1.26 -4.98 115.29 122.07 2k5r s HIS 92 Ca 0.05 -2.55 -0.30 0.00 0.47 0.00 0.00 55.06 52.73 2k5r s HIS 92 Cb -0.17 -3.74 0.13 0.00 -0.13 0.00 0.00 32.58 28.66 2k5r s HIS 92 CO -0.20 -0.93 0.99 -1.01 -2.47 0.00 0.00 174.74 171.12 2k5r s HIS 93 N -0.87 -0.37 0.35 3.88 4.02 -1.26 -5.20 115.29 115.85 2k5r s HIS 93 Ca 0.27 0.60 0.05 0.00 1.02 0.00 0.00 55.06 57.00 2k5r s HIS 93 Cb -0.10 0.46 -0.03 0.00 -1.02 0.00 0.00 32.58 31.89 2k5r s HIS 93 CO -0.09 -0.36 0.22 -1.01 1.02 0.00 0.00 174.74 174.52 2k5r s HIS 94 N -1.26 1.72 0.00 1.40 0.09 -1.26 -4.86 115.29 111.12 2k5r s HIS 94 Ca -0.01 -1.51 0.00 0.00 -0.00 0.00 0.00 55.06 53.54 2k5r s HIS 94 Cb -0.00 -0.86 0.00 0.00 -0.00 0.00 0.00 32.58 31.72 2k5r s HIS 94 CO 0.01 -0.65 0.00 0.72 -0.00 0.00 0.00 174.74 174.81 2k5r n HIS 95 N -0.70 0.00 -0.31 1.40 8.25 -1.26 -4.63 115.22 117.98 2k5r n HIS 95 Ca 0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.46 2k5r n HIS 95 Cb 0.63 -0.02 0.14 0.00 1.12 0.00 0.00 29.99 31.86 2k5r n HIS 95 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2k5r h HIS 96 N 0.00 1.15 0.00 4.41 6.17 -2.05 -3.58 115.15 121.25 2k5r h HIS 96 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2k5r h HIS 96 Cb 0.00 -0.38 0.00 0.00 2.52 0.00 0.00 27.41 29.55 2k5r h HIS 96 CO 0.00 0.77 0.00 0.72 0.71 0.00 0.00 177.93 180.13