#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 5.35 0.25 3.17 2.15 -1.26 -4.88 116.67 121.45 2k5r s ASP 2 Ca 0.00 0.47 -0.05 0.00 0.43 0.00 0.00 52.55 53.40 2k5r s ASP 2 Cb 0.00 -1.38 0.48 0.00 -0.30 0.00 0.00 42.92 41.72 2k5r s ASP 2 CO 0.00 -1.18 1.67 0.03 -0.17 0.00 0.00 175.17 175.52 2k5r h ARG 3 N -0.18 0.22 0.00 4.34 3.08 -1.98 0.20 114.38 120.06 2k5r h ARG 3 Ca -0.45 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.49 2k5r h ARG 3 Cb 1.28 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 2k5r h ARG 3 CO 0.59 0.15 -0.45 0.87 -1.07 0.00 0.00 179.97 180.05 2k5r h LYS 4 N 0.23 0.00 -0.31 0.04 1.57 -2.00 -3.13 116.57 112.97 2k5r h LYS 4 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2k5r h LYS 4 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 2k5r h LYS 4 CO -0.55 0.45 0.00 1.28 -0.57 0.00 0.00 179.45 180.06 2k5r n LEU 5 N -3.48 2.13 -4.78 2.94 7.99 0.55 -4.86 117.00 117.50 2k5r n LEU 5 Ca 0.00 -0.98 -0.36 0.00 -0.01 0.00 0.00 56.01 54.66 2k5r n LEU 5 Cb 0.59 -0.20 -0.08 0.00 -0.11 0.00 0.00 43.42 43.62 2k5r n LEU 5 CO 0.38 0.49 -0.24 -0.76 -1.51 0.00 0.00 177.39 175.75 2k5r s LEU 6 N -1.31 3.96 0.33 2.23 1.43 -0.29 -4.65 118.68 120.38 2k5r s LEU 6 Ca 0.31 0.30 0.13 0.00 -1.03 0.00 0.00 54.13 53.84 2k5r s LEU 6 Cb 0.17 -1.94 0.56 0.00 0.03 0.00 0.00 46.19 45.01 2k5r s LEU 6 CO 0.24 0.39 1.72 -0.74 0.23 0.00 0.00 176.35 178.19 2k5r h HIS 7 N 5.05 0.00 -3.98 0.29 -0.00 -1.89 -3.46 115.15 111.17 2k5r h HIS 7 Ca -0.53 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 59.74 2k5r h HIS 7 Cb 1.21 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 28.48 2k5r h HIS 7 CO 0.69 0.48 -0.47 -0.48 -0.00 0.00 0.00 177.93 178.16 2k5r s LEU 8 N -7.73 1.69 1.24 0.26 0.05 -1.26 -5.17 118.68 107.76 2k5r s LEU 8 Ca -0.02 -0.81 -0.16 0.00 0.05 0.00 0.00 54.13 53.20 2k5r s LEU 8 Cb 0.13 0.77 0.31 0.00 -2.05 0.00 0.00 46.19 45.35 2k5r s LEU 8 CO 0.73 -0.71 1.00 -1.48 -0.55 0.00 0.00 176.35 175.34 2k5r s LEU 9 N -2.90 0.25 0.04 1.48 2.34 -1.26 -5.03 118.68 113.59 2k5r s LEU 9 Ca 0.08 1.28 0.01 0.00 0.06 0.00 0.00 54.13 55.56 2k5r s LEU 9 Cb 0.06 -3.04 -0.04 0.00 -0.56 0.00 0.00 46.19 42.60 2k5r s LEU 9 CO -0.09 -4.53 0.12 0.00 -1.06 0.00 0.00 176.35 170.79 2k5r s SER 11 N -2.15 4.80 0.00 0.00 0.01 -1.26 -4.81 113.70 110.29 2k5r s SER 11 Ca 0.28 2.02 0.00 0.00 1.31 0.00 0.00 55.95 59.56 2k5r s SER 11 Cb -0.12 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2k5r s SER 11 CO 0.20 -1.84 1.48 -0.81 0.41 0.00 0.00 173.24 172.68 2k5r n PRO 12 N -2.72 0.78 0.28 12.44 -0.04 -1.26 -4.36 135.00 140.11 2k5r n PRO 12 Ca 0.11 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 2k5r n PRO 12 Cb 0.52 -1.11 0.78 0.00 -0.04 0.00 0.00 33.50 33.65 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 1.56 0.00 0.74 3.54 5.19 -1.99 0.13 116.42 125.59 2k5r h ASP 13 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 2k5r h ASP 13 Cb 0.78 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.28 2k5r h ASP 13 CO 0.00 0.02 -0.08 0.00 -3.12 0.00 0.00 179.24 176.06 2k5r h THR 14 N 0.00 0.26 -0.92 0.35 1.03 -2.00 -3.46 112.91 108.17 2k5r h THR 14 Ca -0.00 -0.61 -0.34 0.00 -0.01 0.00 0.00 66.41 65.45 2k5r h THR 14 Cb 0.05 1.48 -0.13 0.00 -1.07 0.00 0.00 68.15 68.49 2k5r h THR 14 CO 0.00 0.08 -0.32 -1.14 -0.01 0.00 0.00 175.52 174.14 2k5r n ARG 15 N -3.28 -1.17 -2.42 0.00 0.63 0.44 -5.00 116.66 105.86 2k5r n ARG 15 Ca -0.00 1.07 -0.32 0.00 -0.92 0.00 0.00 57.85 57.67 2k5r n ARG 15 Cb 0.30 -5.29 -0.03 0.00 0.45 0.00 0.00 32.46 27.88 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 -3.52 3.91 0.00 -0.14 -0.21 -1.26 -4.97 119.66 113.47 2k5r s GLN 16 Ca 0.00 0.89 0.20 0.00 0.02 0.00 0.00 55.36 56.47 2k5r s GLN 16 Cb 0.00 -2.16 1.01 0.00 1.00 0.00 0.00 33.01 32.86 2k5r s GLN 16 CO 0.00 -0.26 1.61 -0.35 -2.12 0.00 0.00 175.29 174.17 2k5r n PRO 17 N -1.61 0.31 -5.19 2.91 -0.04 -1.26 -4.66 135.00 125.47 2k5r n PRO 17 Ca 0.06 0.09 -0.32 0.00 -0.04 0.00 0.00 63.50 63.29 2k5r n PRO 17 Cb 0.54 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.51 2.14 0.32 1.53 1.43 -1.26 -0.11 118.68 120.21 2k5r s LEU 18 Ca 0.20 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 2k5r s LEU 18 Cb 0.13 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 2k5r s LEU 18 CO 0.29 0.17 0.23 -0.55 0.23 0.00 0.00 176.35 176.71 2k5r s SER 19 N 0.30 1.55 0.03 2.29 0.15 -0.64 -4.95 113.70 112.44 2k5r s SER 19 Ca -0.17 -1.67 -0.30 0.00 0.70 0.00 0.00 55.95 54.50 2k5r s SER 19 Cb -0.18 0.51 -0.06 0.00 -1.71 0.00 0.00 66.02 64.58 2k5r s SER 19 CO 0.08 -0.99 1.40 -0.22 1.20 0.00 0.00 173.24 174.71 2k5r s LEU 20 N -3.37 4.33 0.14 3.45 1.98 -1.26 0.13 118.68 124.08 2k5r s LEU 20 Ca 0.38 2.16 -0.31 0.00 -2.89 0.00 0.00 54.13 53.47 2k5r s LEU 20 Cb 0.03 -3.57 -0.10 0.00 0.66 0.00 0.00 46.19 43.22 2k5r s LEU 20 CO 0.23 -0.70 1.62 -0.22 -1.89 0.00 0.00 176.35 175.38 2k5r s LEU 21 N 2.10 4.37 -0.02 -0.68 2.96 -0.13 -4.65 118.68 122.63 2k5r s LEU 21 Ca 0.64 2.61 -0.37 0.00 -0.22 0.00 0.00 54.13 56.79 2k5r s LEU 21 Cb -0.33 -3.58 -0.15 0.00 0.50 0.00 0.00 46.19 42.63 2k5r s LEU 21 CO 0.28 -0.86 1.57 1.21 -1.32 0.00 0.00 176.35 177.22 2k5r n GLU 22 N 4.48 1.50 -0.20 1.98 4.07 -1.26 -4.78 120.64 126.43 2k5r n GLU 22 Ca 0.15 0.55 0.05 0.00 -0.06 0.00 0.00 57.16 57.85 2k5r n GLU 22 Cb 0.39 -2.25 0.32 0.00 -0.06 0.00 0.00 31.44 29.84 2k5r n GLU 22 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 2k5r h SER 23 N 6.19 0.72 -0.77 4.31 0.02 -1.98 0.17 113.55 122.21 2k5r h SER 23 Ca -0.47 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.57 2k5r h SER 23 Cb 1.31 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 63.62 2k5r h SER 23 CO 0.87 0.47 0.42 0.50 -1.14 0.00 0.00 176.83 177.96 2k5r h LYS 24 N 0.82 0.70 0.03 3.45 1.63 -2.02 -1.83 116.57 119.35 2k5r h LYS 24 Ca 0.32 -0.04 -0.26 0.00 -0.85 0.00 0.00 60.65 59.82 2k5r h LYS 24 Cb 0.20 -0.16 0.01 0.00 -0.60 0.00 0.00 32.23 31.68 2k5r h LYS 24 CO -0.10 0.46 -1.05 0.78 -3.45 0.00 0.00 179.45 176.08 2k5r h GLY 25 N 0.72 0.59 0.50 5.01 0.00 -1.59 -3.36 103.07 104.95 2k5r h GLY 25 Ca 0.37 -1.10 0.11 0.00 0.00 0.00 0.00 47.33 46.71 2k5r h GLY 25 CO -0.25 0.97 0.60 -2.00 0.00 0.00 0.00 176.54 175.87 2k5r h LEU 26 N 0.28 0.89 -1.44 3.11 5.85 0.04 0.30 115.31 124.34 2k5r h LEU 26 Ca -0.12 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2k5r h LEU 26 Cb 1.71 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.59 2k5r h LEU 26 CO 0.19 0.49 0.08 1.05 -0.34 0.00 0.00 178.44 179.91 2k5r h GLU 27 N 0.97 0.45 -0.55 1.25 4.11 -1.50 -1.46 114.58 117.85 2k5r h GLU 27 Ca 0.47 -0.06 -0.06 0.00 0.07 0.00 0.00 59.36 59.78 2k5r h GLU 27 Cb 0.43 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2k5r h GLU 27 CO -0.25 0.42 0.12 0.00 0.07 0.00 0.00 179.01 179.36 2k5r h ALA 28 N 1.65 1.17 0.07 1.06 0.00 -1.10 -0.66 119.26 121.45 2k5r h ALA 28 Ca 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k5r h ALA 28 Cb 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2k5r h ALA 28 CO -0.00 0.56 -0.04 -0.07 0.00 0.00 0.00 179.25 179.70 2k5r h LEU 29 N 0.82 -0.08 -0.57 0.00 -0.00 -1.03 -2.30 115.31 112.15 2k5r h LEU 29 Ca 0.18 -0.19 0.06 0.00 -0.00 0.00 0.00 57.88 57.93 2k5r h LEU 29 Cb 0.32 0.02 -0.05 0.00 -0.00 0.00 0.00 40.66 40.95 2k5r h LEU 29 CO 0.00 0.14 0.28 0.78 -0.00 0.00 0.00 178.44 179.64 2k5r h ASN 30 N -0.31 0.38 -0.26 -0.43 2.35 -1.05 0.23 115.58 116.48 2k5r h ASN 30 Ca -0.01 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 2k5r h ASN 30 Cb 0.27 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 2k5r h ASN 30 CO 0.02 0.25 0.02 0.11 -1.65 0.00 0.00 177.43 176.17 2k5r h LYS 31 N 0.52 0.10 -0.28 0.81 1.57 -1.14 -1.20 116.57 116.95 2k5r h LYS 31 Ca 0.26 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.95 2k5r h LYS 31 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2k5r h LYS 31 CO -0.20 0.07 -0.19 0.00 -0.57 0.00 0.00 179.45 178.56 2k5r h ALA 32 N 1.21 1.14 0.06 3.86 0.00 -0.77 -0.56 119.26 124.21 2k5r h ALA 32 Ca 0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k5r h ALA 32 Cb 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k5r h ALA 32 CO -0.19 0.54 -0.03 0.82 0.00 0.00 0.00 179.25 180.39 2k5r h ILE 33 N 0.46 1.12 -0.71 0.00 2.04 -0.24 0.82 117.51 121.00 2k5r h ILE 33 Ca 0.08 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 2k5r h ILE 33 Cb 0.60 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 2k5r h ILE 33 CO 0.04 0.16 0.25 0.58 0.00 0.00 0.00 178.15 179.18 2k5r h VAL 34 N -0.37 1.25 0.00 1.67 2.07 -1.19 -1.31 116.25 118.37 2k5r h VAL 34 Ca -0.01 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2k5r h VAL 34 Cb 0.33 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2k5r h VAL 34 CO 0.01 0.33 0.00 -0.24 0.02 0.00 0.00 177.57 177.70 2k5r n SER 35 N -4.32 0.69 -2.04 0.57 2.88 -0.22 -4.91 113.62 106.27 2k5r n SER 35 Ca 0.05 0.69 -0.12 0.00 -1.33 0.00 0.00 58.87 58.16 2k5r n SER 35 Cb 0.21 -0.83 0.04 0.00 -0.75 0.00 0.00 64.21 62.88 2k5r n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k5r n GLY 36 N -0.21 0.20 0.11 0.46 0.00 0.07 -4.94 105.19 100.88 2k5r n GLY 36 Ca 0.01 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.76 0.60 -2.73 2.61 5.66 -0.02 -4.95 114.28 111.68 2k5r n THR 37 Ca 0.00 -0.80 -0.43 0.00 -3.05 0.00 0.00 64.05 59.77 2k5r n THR 37 Cb 0.53 0.72 -0.03 0.00 -1.55 0.00 0.00 70.33 70.00 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 -0.67 4.44 -0.43 1.08 1.01 -1.21 -4.84 120.40 119.77 2k5r s VAL 38 Ca 0.04 1.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.94 2k5r s VAL 38 Cb 0.02 -4.45 0.02 0.00 0.00 0.00 0.00 36.38 31.97 2k5r s VAL 38 CO 0.03 -0.75 0.73 -1.10 0.00 0.00 0.00 175.10 174.01 2k5r s GLN 39 N 3.85 3.41 0.72 2.72 -0.21 -1.26 -0.61 119.66 128.28 2k5r s GLN 39 Ca 0.41 -0.15 -0.16 0.00 0.02 0.00 0.00 55.36 55.48 2k5r s GLN 39 Cb -0.10 -3.92 0.02 0.00 1.00 0.00 0.00 33.01 30.01 2k5r s GLN 39 CO 0.24 -1.03 1.16 -2.13 -2.12 0.00 0.00 175.29 171.41 2k5r n ARG 40 N 6.49 0.63 0.02 2.91 0.63 0.76 -4.56 116.66 123.54 2k5r n ARG 40 Ca 0.01 0.28 0.22 0.00 -0.92 0.00 0.00 57.85 57.43 2k5r n ARG 40 Cb 0.48 -2.40 0.61 0.00 0.45 0.00 0.00 32.46 31.60 2k5r n ARG 40 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k5r h ALA 41 N -0.17 2.32 0.19 5.13 0.00 -1.73 0.58 119.26 125.58 2k5r h ALA 41 Ca -0.48 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.09 2k5r h ALA 41 Cb 1.33 0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.18 2k5r h ALA 41 CO 0.49 -1.02 -1.48 0.22 0.00 0.00 0.00 179.25 177.46 2k5r h ASP 42 N 0.00 0.64 0.00 0.00 3.58 -1.89 -3.49 116.42 115.27 2k5r h ASP 42 Ca 0.27 -0.75 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2k5r h ASP 42 Cb 1.72 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.56 2k5r h ASP 42 CO -0.00 1.60 0.00 0.61 -2.88 0.00 0.00 179.24 178.57 2k5r n GLY 43 N 1.69 1.39 3.73 -0.78 0.00 0.20 -5.13 105.19 106.29 2k5r n GLY 43 Ca -0.16 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.20 4.54 0.11 1.61 0.15 -1.26 -4.48 113.70 114.18 2k5r s SER 44 Ca 0.00 2.37 -0.24 0.00 0.70 0.00 0.00 55.95 58.78 2k5r s SER 44 Cb 0.00 -2.59 -0.07 0.00 -1.71 0.00 0.00 66.02 61.65 2k5r s SER 44 CO 0.00 -2.03 0.74 -0.63 1.20 0.00 0.00 173.24 172.52 2k5r s ILE 45 N -1.85 4.53 -0.24 6.45 -1.09 -1.26 -0.17 121.20 127.57 2k5r s ILE 45 Ca 0.75 1.61 -0.22 0.00 -2.23 0.00 0.00 60.65 60.56 2k5r s ILE 45 Cb -0.30 -4.10 -0.01 0.00 -1.58 0.00 0.00 42.46 36.47 2k5r s ILE 45 CO 0.42 0.48 0.71 -1.58 -1.23 0.00 0.00 174.94 173.73 2k5r s GLN 46 N -0.80 4.15 -0.05 2.79 2.00 0.22 -4.86 119.66 123.11 2k5r s GLN 46 Ca 0.35 0.72 0.08 0.00 -2.00 0.00 0.00 55.36 54.51 2k5r s GLN 46 Cb -0.22 -3.64 0.12 0.00 0.80 0.00 0.00 33.01 30.07 2k5r s GLN 46 CO 0.24 -0.43 1.01 0.09 -0.50 0.00 0.00 175.29 175.71 2k5r n ASN 47 N 5.72 1.75 -4.20 6.67 5.03 -1.26 -4.57 115.26 124.41 2k5r n ASN 47 Ca 0.02 -2.35 -0.39 0.00 0.87 0.00 0.00 54.58 52.74 2k5r n ASN 47 Cb 0.48 -0.19 -0.10 0.00 -1.02 0.00 0.00 39.78 38.95 2k5r n ASN 47 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2k5r s GLN 48 N -1.57 2.36 -0.38 3.52 -1.52 -1.26 -4.87 119.66 115.93 2k5r s GLN 48 Ca 0.13 -1.64 -0.28 0.00 -1.95 0.00 0.00 55.36 51.62 2k5r s GLN 48 Cb 0.11 -3.71 -0.03 0.00 -0.22 0.00 0.00 33.01 29.17 2k5r s GLN 48 CO 0.01 -1.03 1.94 -1.54 -0.25 0.00 0.00 175.29 174.42 2k5r s SER 49 N 2.10 5.56 0.41 5.90 1.04 -1.26 -4.97 113.70 122.48 2k5r s SER 49 Ca 0.05 1.19 -0.19 0.00 0.48 0.00 0.00 55.95 57.47 2k5r s SER 49 Cb -0.24 -2.52 -0.10 0.00 0.10 0.00 0.00 66.02 63.26 2k5r s SER 49 CO -0.01 -1.99 0.91 -1.48 0.98 0.00 0.00 173.24 171.64 2k5r s LEU 50 N 8.07 3.95 -0.16 2.42 0.05 -1.26 -5.02 118.68 126.72 2k5r s LEU 50 Ca 0.82 1.60 -0.16 0.00 0.05 0.00 0.00 54.13 56.44 2k5r s LEU 50 Cb -0.22 -4.44 -0.23 0.00 -2.05 0.00 0.00 46.19 39.25 2k5r s LEU 50 CO 0.31 -0.34 0.34 0.45 -0.55 0.00 0.00 176.35 176.55 2k5r h HIS 51 N 1.91 0.23 -3.78 3.48 3.86 -1.94 -3.48 115.15 115.44 2k5r h HIS 51 Ca -0.49 -0.17 -0.68 0.00 -1.16 0.00 0.00 60.37 57.88 2k5r h HIS 51 Cb 1.18 -0.01 -0.19 0.00 1.06 0.00 0.00 27.41 29.45 2k5r h HIS 51 CO 0.62 1.58 -0.79 -1.21 0.86 0.00 0.00 177.93 178.99 2k5r s GLU 52 N -2.44 1.95 0.12 2.45 8.01 -1.26 -5.09 118.70 122.44 2k5r s GLU 52 Ca -0.25 -1.08 -0.10 0.00 0.01 0.00 0.00 54.97 53.55 2k5r s GLU 52 Cb 0.06 -2.17 0.00 0.00 -4.31 0.00 0.00 34.13 27.71 2k5r s GLU 52 CO 0.68 0.51 0.26 0.00 0.01 0.00 0.00 175.26 176.72 2k5r s ALA 53 N -1.07 -0.33 -0.15 5.21 0.00 -1.26 -1.64 121.76 122.52 2k5r s ALA 53 Ca 0.17 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 2k5r s ALA 53 Cb -0.11 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 2k5r s ALA 53 CO 0.09 -0.58 -0.10 -0.51 0.00 0.00 0.00 175.76 174.66 2k5r s LEU 54 N -2.88 2.83 -0.14 0.00 1.43 -0.15 -0.96 118.68 118.81 2k5r s LEU 54 Ca 0.08 -0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 52.80 2k5r s LEU 54 Cb 0.04 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 2k5r s LEU 54 CO -0.08 0.13 0.11 -0.51 0.23 0.00 0.00 176.35 176.23 2k5r s ILE 55 N 0.54 5.22 0.45 -0.59 1.10 0.12 -0.28 121.20 127.76 2k5r s ILE 55 Ca -0.07 0.11 -0.23 0.00 -0.51 0.00 0.00 60.65 59.95 2k5r s ILE 55 Cb -0.15 -3.30 -0.08 0.00 0.15 0.00 0.00 42.46 39.08 2k5r s ILE 55 CO 0.03 0.56 1.16 0.42 -2.11 0.00 0.00 174.94 175.00 2k5r s THR 56 N -0.52 3.14 0.40 4.00 -4.23 -0.74 -1.62 115.64 116.08 2k5r s THR 56 Ca 0.12 0.87 0.10 0.00 -1.18 0.00 0.00 61.69 61.59 2k5r s THR 56 Cb -0.12 -3.45 0.31 0.00 1.34 0.00 0.00 72.50 70.58 2k5r s THR 56 CO 0.02 0.00 1.98 -0.09 -0.54 0.00 0.00 174.62 175.99 2k5r h ARG 57 N 2.14 0.55 -0.46 3.99 2.43 -0.85 0.14 114.38 122.32 2k5r h ARG 57 Ca -0.49 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 2k5r h ARG 57 Cb 1.24 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2k5r h ARG 57 CO 0.61 0.36 0.00 -0.40 -1.51 0.00 0.00 179.97 179.03 2k5r n ASP 58 N -4.48 2.54 -0.96 -3.80 5.75 -1.26 -4.94 116.55 109.39 2k5r n ASP 58 Ca 0.09 -1.99 -0.13 0.00 -0.01 0.00 0.00 54.79 52.76 2k5r n ASP 58 Cb 0.28 -0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 40.01 2k5r n ASP 58 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2k5r n ARG 59 N 0.89 -1.08 -0.10 0.11 5.12 0.04 -4.89 116.66 116.75 2k5r n ARG 59 Ca 0.16 0.92 -0.19 0.00 -1.93 0.00 0.00 57.85 56.81 2k5r n ARG 59 Cb 0.40 -5.03 -0.10 0.00 -1.16 0.00 0.00 32.46 26.57 2k5r n ARG 59 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2k5r h LYS 60 N 0.04 0.00 -6.30 5.56 1.79 -1.92 -3.43 116.57 112.30 2k5r h LYS 60 Ca -0.26 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.63 2k5r h LYS 60 Cb 0.92 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.46 2k5r h LYS 60 CO 0.38 0.86 -0.67 -0.65 -1.08 0.00 0.00 179.45 178.29 2k5r s GLN 61 N -2.33 2.26 -0.06 3.15 -0.21 -1.26 -1.24 119.66 119.98 2k5r s GLN 61 Ca -0.26 -1.30 0.01 0.00 0.02 0.00 0.00 55.36 53.83 2k5r s GLN 61 Cb 0.05 -2.21 0.02 0.00 1.00 0.00 0.00 33.01 31.87 2k5r s GLN 61 CO 0.54 0.41 -0.06 0.08 -2.12 0.00 0.00 175.29 174.14 2k5r s VAL 62 N -2.01 0.67 0.41 1.09 1.01 0.87 -1.80 120.40 120.65 2k5r s VAL 62 Ca 0.29 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.16 2k5r s VAL 62 Cb -0.08 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.62 2k5r s VAL 62 CO 0.18 0.26 0.56 -0.36 0.00 0.00 0.00 175.10 175.75 2k5r s PHE 63 N 1.03 2.89 -0.09 5.22 0.40 0.61 -0.48 117.98 127.56 2k5r s PHE 63 Ca -0.09 -0.32 -0.03 0.00 -0.60 0.00 0.00 56.93 55.89 2k5r s PHE 63 Cb -0.14 -2.31 -0.03 0.00 0.51 0.00 0.00 43.02 41.04 2k5r s PHE 63 CO -0.00 -0.35 0.03 0.50 0.70 0.00 0.00 175.22 176.10 2k5r s ARG 64 N -4.34 3.10 -0.38 0.44 3.52 -1.24 -0.97 118.95 119.08 2k5r s ARG 64 Ca 0.53 -0.34 -0.04 0.00 -0.13 0.00 0.00 55.73 55.75 2k5r s ARG 64 Cb -0.10 -2.89 0.08 0.00 -1.56 0.00 0.00 34.95 30.49 2k5r s ARG 64 CO 0.33 0.72 0.15 0.42 -0.81 0.00 0.00 175.30 176.11 2k5r s ILE 65 N -0.91 3.39 -0.25 4.11 1.01 -0.65 -0.43 121.20 127.47 2k5r s ILE 65 Ca 0.14 -1.72 -0.09 0.00 0.00 0.00 0.00 60.65 58.98 2k5r s ILE 65 Cb -0.11 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 2k5r s ILE 65 CO 0.03 -0.48 0.13 -0.70 0.00 0.00 0.00 174.94 173.92 2k5r s GLU 66 N 1.23 3.86 -1.40 2.79 2.56 0.05 -4.19 118.70 123.60 2k5r s GLU 66 Ca 0.03 -0.37 -0.09 0.00 0.00 0.00 0.00 54.97 54.54 2k5r s GLU 66 Cb -0.22 -3.47 0.03 0.00 2.00 0.00 0.00 34.13 32.47 2k5r s GLU 66 CO -0.02 -0.10 1.06 -3.47 -0.56 0.00 0.00 175.26 172.17 2k5r n ASP 67 N 4.75 -4.99 0.00 -1.70 2.03 -1.26 -0.62 116.55 114.76 2k5r n ASP 67 Ca -0.15 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.51 2k5r n ASP 67 Cb 0.52 -4.58 0.00 0.00 -0.72 0.00 0.00 41.12 36.34 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 -2.97 -4.63 -4.56 1.67 7.64 -1.26 -4.99 113.62 104.51 2k5r n SER 68 Ca -0.04 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.47 2k5r n SER 68 Cb 0.57 -2.27 -0.11 0.00 -1.01 0.00 0.00 64.21 61.39 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 -1.43 5.11 -0.70 0.44 -1.09 0.21 -5.04 121.20 118.69 2k5r s ILE 69 Ca 0.00 0.10 -0.26 0.00 -2.23 0.00 0.00 60.65 58.26 2k5r s ILE 69 Cb 0.00 -3.42 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 2k5r s ILE 69 CO 0.00 0.27 1.84 -2.16 -1.23 0.00 0.00 174.94 173.66 2k5r s PRO 70 N 1.73 2.66 -0.82 2.79 0.04 -1.26 -0.77 135.00 139.37 2k5r s PRO 70 Ca 0.07 0.29 -0.26 0.00 0.04 0.00 0.00 61.00 61.15 2k5r s PRO 70 Cb -0.16 -4.57 0.03 0.00 0.04 0.00 0.00 34.50 29.85 2k5r s PRO 70 CO 0.09 -2.85 1.40 0.08 0.04 0.00 0.00 177.00 175.76 2k5r s VAL 71 N 9.03 3.74 -1.07 -0.36 1.01 0.43 -4.84 120.40 128.34 2k5r s VAL 71 Ca 0.65 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.71 2k5r s VAL 71 Cb -0.11 -4.86 0.27 0.00 0.00 0.00 0.00 36.38 31.69 2k5r s VAL 71 CO 0.14 -1.78 1.00 0.18 0.00 0.00 0.00 175.10 174.64 2k5r n LEU 72 N 9.64 2.32 -4.67 3.92 4.77 -1.26 -3.58 117.00 128.14 2k5r n LEU 72 Ca 0.14 -1.17 -0.43 0.00 -0.03 0.00 0.00 56.01 54.53 2k5r n LEU 72 Cb 0.50 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 2k5r n LEU 72 CO 0.69 0.37 1.06 -0.76 -1.33 0.00 0.00 177.39 177.42 2k5r s LEU 73 N -0.97 4.22 0.60 2.23 1.43 -1.26 -4.91 118.68 120.01 2k5r s LEU 73 Ca 0.19 1.77 0.30 0.00 -1.03 0.00 0.00 54.13 55.36 2k5r s LEU 73 Cb 0.13 -3.54 1.77 0.00 0.03 0.00 0.00 46.19 44.57 2k5r s LEU 73 CO 0.07 -0.71 2.16 1.55 0.23 0.00 0.00 176.35 179.65 2k5r h PRO 74 N 8.01 0.00 0.00 1.29 0.13 -1.98 -0.79 132.00 138.67 2k5r h PRO 74 Ca -0.30 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 2k5r h PRO 74 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2k5r h PRO 74 CO 0.94 0.00 -0.04 1.05 -0.23 0.00 0.00 178.00 179.72 2k5r h GLU 75 N 0.00 0.00 -0.58 0.86 4.11 -1.98 -1.44 114.58 115.54 2k5r h GLU 75 Ca 0.05 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.32 2k5r h GLU 75 Cb 0.31 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.46 2k5r h GLU 75 CO -0.00 0.04 0.16 0.39 0.07 0.00 0.00 179.01 179.67 2k5r n GLU 76 N -4.03 3.32 -3.12 1.06 -0.58 -0.30 -4.32 120.64 112.66 2k5r n GLU 76 Ca -0.03 -3.06 -0.42 0.00 -0.42 0.00 0.00 57.16 53.23 2k5r n GLU 76 Cb 0.13 -2.09 -0.07 0.00 -0.57 0.00 0.00 31.44 28.84 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 -3.00 3.43 -0.01 0.62 0.00 -0.54 -3.98 121.76 118.27 2k5r s ALA 77 Ca 0.51 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 2k5r s ALA 77 Cb 0.42 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 20.29 2k5r s ALA 77 CO 0.11 -1.45 0.45 0.42 0.00 0.00 0.00 175.76 175.28 2k5r s ILE 78 N 2.71 5.01 -0.32 0.00 1.09 0.37 -3.15 121.20 126.91 2k5r s ILE 78 Ca 0.23 0.93 -0.19 0.00 -1.10 0.00 0.00 60.65 60.52 2k5r s ILE 78 Cb -0.14 -3.77 -0.01 0.00 -1.06 0.00 0.00 42.46 37.48 2k5r s ILE 78 CO 0.16 0.52 0.55 0.00 -0.10 0.00 0.00 174.94 176.07 2k5r s ALA 79 N -0.72 3.51 0.32 9.38 0.00 -1.26 -0.09 121.76 132.90 2k5r s ALA 79 Ca 0.25 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.43 2k5r s ALA 79 Cb -0.17 -3.01 0.64 0.00 0.00 0.00 0.00 23.12 20.58 2k5r s ALA 79 CO 0.14 -1.07 1.88 1.79 0.00 0.00 0.00 175.76 178.49 2k5r h THR 80 N 5.55 0.95 0.00 0.00 1.35 -1.45 -1.19 112.91 118.12 2k5r h THR 80 Ca -0.28 -0.31 -0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2k5r h THR 80 Cb 1.13 -0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.52 2k5r h THR 80 CO 0.77 0.16 -0.00 -0.29 -0.25 0.00 0.00 175.52 175.91 2k5r h ILE 81 N 0.90 0.10 -0.57 6.82 6.09 -1.88 -1.80 117.51 127.17 2k5r h ILE 81 Ca 0.43 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.86 2k5r h ILE 81 Cb 0.44 1.05 0.00 0.00 0.47 0.00 0.00 36.82 38.78 2k5r h ILE 81 CO -0.19 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 174.89 2k5r n GLN 82 N -3.22 2.39 -3.43 2.19 1.13 -0.45 -4.87 117.38 111.13 2k5r n GLN 82 Ca -0.03 -2.15 -0.41 0.00 -1.94 0.00 0.00 57.00 52.47 2k5r n GLN 82 Cb 0.10 -1.47 -0.10 0.00 0.11 0.00 0.00 30.24 28.87 2k5r n GLN 82 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2k5r s ILE 83 N -1.25 5.19 -1.03 5.09 -1.09 -0.68 -4.75 121.20 122.68 2k5r s ILE 83 Ca 0.40 -0.15 0.08 0.00 -2.23 0.00 0.00 60.65 58.76 2k5r s ILE 83 Cb 0.21 -3.84 0.07 0.00 -1.58 0.00 0.00 42.46 37.32 2k5r s ILE 83 CO 0.28 -0.15 1.26 0.00 -1.23 0.00 0.00 174.94 175.10 2k5r n ALA 84 N 5.33 1.39 0.11 9.38 0.00 -1.26 -1.89 120.51 133.57 2k5r n ALA 84 Ca -0.10 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.34 2k5r n ALA 84 Cb 0.49 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2k5r n ALA 84 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2k5r h ASN 85 N 0.00 0.00 -3.35 0.00 2.35 -1.92 -3.44 115.58 109.21 2k5r h ASN 85 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 2k5r h ASN 85 Cb 0.14 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.45 2k5r h ASN 85 CO 0.00 0.44 0.94 -0.36 -1.65 0.00 0.00 177.43 176.80 2k5r s PHE 86 N -3.00 2.82 0.81 1.19 0.40 -0.79 -5.02 117.98 114.39 2k5r s PHE 86 Ca 0.02 0.90 -0.11 0.00 -0.60 0.00 0.00 56.93 57.14 2k5r s PHE 86 Cb 0.08 -4.03 0.08 0.00 0.51 0.00 0.00 43.02 39.66 2k5r s PHE 86 CO 0.76 -1.35 1.10 -1.25 0.70 0.00 0.00 175.22 175.17 2k5r s PRO 87 N 4.18 1.96 0.00 0.24 0.04 -1.26 -4.93 135.00 135.23 2k5r s PRO 87 Ca 0.52 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2k5r s PRO 87 Cb -0.13 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2k5r s PRO 87 CO 0.24 -1.72 0.72 -0.25 0.04 0.00 0.00 177.00 176.04 2k5r n ASP 88 N -3.51 1.94 -4.73 6.66 9.92 -1.26 -4.89 116.55 120.68 2k5r n ASP 88 Ca 0.07 -1.91 -0.42 0.00 -0.53 0.00 0.00 54.79 52.00 2k5r n ASP 88 Cb 0.56 -0.48 -0.03 0.00 -0.64 0.00 0.00 41.12 40.54 2k5r n ASP 88 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2k5r s LYS 89 N -0.46 4.23 0.33 -1.24 -0.14 -1.26 -4.96 119.74 116.24 2k5r s LYS 89 Ca 0.00 2.35 -0.26 0.00 -1.36 0.00 0.00 55.97 56.70 2k5r s LYS 89 Cb 0.00 -3.12 -0.10 0.00 -1.68 0.00 0.00 37.83 32.93 2k5r s LYS 89 CO 0.00 -0.52 0.98 -0.51 -0.76 0.00 0.00 175.35 174.54 2k5r s LEU 90 N 0.28 4.32 0.18 3.17 1.02 -1.26 -5.03 118.68 121.36 2k5r s LEU 90 Ca 0.64 1.93 -0.30 0.00 0.02 0.00 0.00 54.13 56.42 2k5r s LEU 90 Cb -0.43 -4.01 -0.08 0.00 0.02 0.00 0.00 46.19 41.69 2k5r s LEU 90 CO 0.38 -0.17 1.04 -0.70 0.02 0.00 0.00 176.35 176.93 2k5r s GLU 91 N -2.08 4.66 0.24 1.70 2.56 -1.26 -4.96 118.70 119.56 2k5r s GLU 91 Ca 0.51 1.63 0.02 0.00 0.00 0.00 0.00 54.97 57.13 2k5r s GLU 91 Cb -0.21 -3.29 0.28 0.00 2.00 0.00 0.00 34.13 32.91 2k5r s GLU 91 CO 0.26 0.18 1.60 0.45 -0.56 0.00 0.00 175.26 177.20 2k5r h HIS 92 N 4.97 0.48 -2.22 5.30 3.86 -2.04 -3.40 115.15 122.10 2k5r h HIS 92 Ca -0.44 -0.15 -0.52 0.00 -1.16 0.00 0.00 60.37 58.09 2k5r h HIS 92 Cb 1.21 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 29.52 2k5r h HIS 92 CO 0.63 0.80 1.19 -1.01 0.86 0.00 0.00 177.93 180.39 2k5r s HIS 93 N -4.07 2.01 -0.58 2.45 3.76 -1.26 -4.94 115.29 112.65 2k5r s HIS 93 Ca -0.06 0.35 -0.27 0.00 -0.15 0.00 0.00 55.06 54.93 2k5r s HIS 93 Cb 0.12 -4.38 -0.02 0.00 1.11 0.00 0.00 32.58 29.41 2k5r s HIS 93 CO 0.81 -2.18 1.88 -1.01 -0.85 0.00 0.00 174.74 173.38 2k5r s HIS 94 N 7.22 1.65 -0.23 1.40 3.76 -1.26 -4.96 115.29 122.87 2k5r s HIS 94 Ca 0.50 0.81 0.01 0.00 -0.15 0.00 0.00 55.06 56.23 2k5r s HIS 94 Cb -0.10 -4.07 0.04 0.00 1.11 0.00 0.00 32.58 29.55 2k5r s HIS 94 CO 0.18 -2.36 -0.12 -1.58 -0.85 0.00 0.00 174.74 170.01 2k5r s HIS 95 N 9.03 3.05 0.70 1.40 5.04 -1.26 -5.12 115.29 128.12 2k5r s HIS 95 Ca 0.69 -1.88 -0.14 0.00 -1.54 0.00 0.00 55.06 52.19 2k5r s HIS 95 Cb -0.13 -1.97 0.02 0.00 0.04 0.00 0.00 32.58 30.54 2k5r s HIS 95 CO 0.22 -0.81 1.13 -1.01 -2.34 0.00 0.00 174.74 171.92 2k5r s HIS 96 N 1.23 2.47 0.00 3.88 3.76 -1.26 -5.14 115.29 120.23 2k5r s HIS 96 Ca -0.02 1.57 0.00 0.00 -0.15 0.00 0.00 55.06 56.46 2k5r s HIS 96 Cb -0.17 -3.22 0.00 0.00 1.11 0.00 0.00 32.58 30.31 2k5r s HIS 96 CO -0.07 -1.92 0.00 1.58 -0.85 0.00 0.00 174.74 173.48