#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4r n SER 2 N 0.00 1.96 -3.69 1.61 3.41 -1.26 -5.02 113.62 110.64 1x4r n SER 2 Ca 0.00 0.05 -0.16 0.00 -0.26 0.00 0.00 58.87 58.51 1x4r n SER 2 Cb 0.00 -0.30 -0.15 0.00 -0.26 0.00 0.00 64.21 63.50 1x4r n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x4r s SER 3 N -5.71 0.47 0.00 4.04 1.04 -1.26 -5.05 113.70 107.23 1x4r s SER 3 Ca -0.18 0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1x4r s SER 3 Cb 0.06 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1x4r s SER 3 CO 0.26 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.87 1x4r n GLY 4 N 5.03 -1.76 3.46 7.32 0.00 -1.26 -5.18 105.19 112.80 1x4r n GLY 4 Ca -0.11 0.74 -0.13 0.00 0.00 0.00 0.00 46.02 46.52 1x4r n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4r s SER 5 N 0.00 -0.59 -0.24 1.61 0.15 -1.26 -5.15 113.70 108.22 1x4r s SER 5 Ca 0.00 1.13 -0.12 0.00 0.70 0.00 0.00 55.95 57.65 1x4r s SER 5 Cb 0.00 1.13 -0.05 0.00 -1.71 0.00 0.00 66.02 65.39 1x4r s SER 5 CO 0.00 -0.20 0.25 -0.55 1.20 0.00 0.00 173.24 173.94 1x4r s SER 6 N 0.41 6.20 0.10 5.45 0.15 -1.26 -5.01 113.70 119.74 1x4r s SER 6 Ca -0.01 0.22 -0.29 0.00 0.70 0.00 0.00 55.95 56.57 1x4r s SER 6 Cb -0.04 -2.15 -0.11 0.00 -1.71 0.00 0.00 66.02 62.01 1x4r s SER 6 CO -0.01 -0.01 1.47 1.23 1.20 0.00 0.00 173.24 177.12 1x4r h GLY 7 N 7.75 -1.17 -2.12 9.45 0.00 -2.08 -3.42 103.07 111.47 1x4r h GLY 7 Ca -0.37 0.68 -0.45 0.00 0.00 0.00 0.00 47.33 47.19 1x4r h GLY 7 CO 0.66 -0.26 -0.09 -1.59 0.00 0.00 0.00 176.54 175.26 1x4r s LYS 8 N -5.31 2.86 -0.20 4.80 0.00 -1.26 -5.12 119.74 115.52 1x4r s LYS 8 Ca -0.13 -0.66 -0.33 0.00 0.00 0.00 0.00 55.97 54.85 1x4r s LYS 8 Cb 0.06 -2.55 0.15 0.00 0.00 0.00 0.00 37.83 35.48 1x4r s LYS 8 CO 0.52 -0.42 1.19 -1.54 0.00 0.00 0.00 175.35 175.11 1x4r s SER 9 N -4.30 -0.16 0.60 0.03 1.04 -1.26 -5.16 113.70 104.49 1x4r s SER 9 Ca 0.52 0.07 -0.19 0.00 0.48 0.00 0.00 55.95 56.82 1x4r s SER 9 Cb -0.10 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.14 1x4r s SER 9 CO 0.37 -0.23 1.25 0.27 0.98 0.00 0.00 173.24 175.89 1x4r s ILE 10 N -1.98 2.43 -0.25 -1.02 -0.00 -1.26 -4.97 121.20 114.15 1x4r s ILE 10 Ca 0.07 0.27 -0.04 0.00 -0.00 0.00 0.00 60.65 60.96 1x4r s ILE 10 Cb -0.01 -3.12 -0.14 0.00 -0.00 0.00 0.00 42.46 39.20 1x4r s ILE 10 CO -0.05 -0.05 -0.26 -1.14 -0.00 0.00 0.00 174.94 173.44 1x4r n ARG 11 N -1.56 0.58 -2.34 0.37 3.00 -1.26 -4.79 116.66 110.66 1x4r n ARG 11 Ca 0.14 0.18 -0.35 0.00 -0.00 0.00 0.00 57.85 57.82 1x4r n ARG 11 Cb 0.49 -1.46 -0.04 0.00 0.00 0.00 0.00 32.46 31.45 1x4r n ARG 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1x4r s LEU 12 N -6.83 3.39 0.00 6.15 1.02 -1.26 -4.84 118.68 116.31 1x4r s LEU 12 Ca -0.34 -1.34 -0.12 0.00 0.02 0.00 0.00 54.13 52.35 1x4r s LEU 12 Cb 0.11 -2.57 0.04 0.00 0.02 0.00 0.00 46.19 43.79 1x4r s LEU 12 CO 0.52 -2.04 0.58 0.00 0.02 0.00 0.00 176.35 175.43 1x4r n ALA 13 N 11.08 -1.47 -1.45 4.21 0.00 -1.26 -5.04 120.51 126.59 1x4r n ALA 13 Ca 0.39 -0.66 -0.24 0.00 0.00 0.00 0.00 53.44 52.94 1x4r n ALA 13 Cb 0.49 0.42 0.12 0.00 0.00 0.00 0.00 19.45 20.47 1x4r n ALA 13 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1x4r n LYS 14 N -0.41 2.53 -0.10 0.00 0.00 -1.26 -4.67 118.16 114.25 1x4r n LYS 14 Ca -0.02 -3.34 -0.09 0.00 -0.00 0.00 0.00 58.31 54.85 1x4r n LYS 14 Cb 0.35 -2.15 -0.02 0.00 -0.00 0.00 0.00 35.03 33.21 1x4r n LYS 14 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1x4r h GLU 15 N 1.55 0.44 -1.43 -1.58 4.57 -1.96 -2.23 114.58 113.93 1x4r h GLU 15 Ca 0.49 -0.04 0.42 0.00 -1.18 0.00 0.00 59.36 59.05 1x4r h GLU 15 Cb 1.64 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 30.08 1x4r h GLU 15 CO 1.07 0.34 1.25 1.57 -1.18 0.00 0.00 179.01 182.05 1x4r h LYS 16 N 0.41 0.00 -1.50 1.92 2.10 -1.97 0.88 116.57 118.42 1x4r h LYS 16 Ca 0.11 0.00 0.50 0.00 -2.00 0.00 0.00 60.65 59.26 1x4r h LYS 16 Cb 0.01 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.22 1x4r h LYS 16 CO -0.02 0.00 0.99 1.05 -2.00 0.00 0.00 179.45 179.47 1x4r h GLU 17 N 0.00 0.01 -0.75 0.07 -0.00 -1.78 0.60 114.58 112.73 1x4r h GLU 17 Ca 0.68 -0.00 0.16 0.00 -0.00 0.00 0.00 59.36 60.20 1x4r h GLU 17 Cb 3.18 -0.00 -0.11 0.00 -0.00 0.00 0.00 28.75 31.81 1x4r h GLU 17 CO -0.01 0.01 0.19 1.03 -0.00 0.00 0.00 179.01 180.23 1x4r h SER 18 N 0.01 0.03 -0.50 3.06 0.87 -1.06 0.01 113.55 115.96 1x4r h SER 18 Ca 0.89 0.15 0.06 0.00 -1.23 0.00 0.00 61.79 61.66 1x4r h SER 18 Cb 3.02 0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 65.12 1x4r h SER 18 CO -0.37 -0.03 0.20 -0.61 -0.53 0.00 0.00 176.83 175.48 1x4r h GLN 19 N 0.28 0.39 0.32 2.24 4.15 -0.02 0.28 115.11 122.74 1x4r h GLN 19 Ca 0.43 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.82 1x4r h GLN 19 Cb 0.73 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.30 1x4r h GLN 19 CO -0.51 0.25 -0.51 0.00 -1.93 0.00 0.00 178.83 176.14 1x4r h ALA 20 N 1.32 -1.04 0.57 3.38 0.00 -1.08 -2.64 119.26 119.76 1x4r h ALA 20 Ca 0.24 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1x4r h ALA 20 Cb 0.23 0.79 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1x4r h ALA 20 CO -0.22 -1.14 -0.27 0.22 0.00 0.00 0.00 179.25 177.83 1x4r h ASP 21 N -0.88 -0.65 -1.06 0.00 3.58 -1.25 -0.79 116.42 115.38 1x4r h ASP 21 Ca -0.03 0.01 0.37 0.00 0.42 0.00 0.00 57.03 57.79 1x4r h ASP 21 Cb 0.81 0.17 -0.11 0.00 1.72 0.00 0.00 39.33 41.92 1x4r h ASP 21 CO -0.17 -0.44 0.68 0.00 -2.88 0.00 0.00 179.24 176.43 1x4r n TYR 22 N -5.40 0.57 -0.09 0.28 4.19 0.96 0.24 117.16 117.89 1x4r n TYR 22 Ca -0.12 0.57 -0.17 0.00 3.31 0.00 0.00 57.90 61.48 1x4r n TYR 22 Cb 0.32 -0.98 -0.10 0.00 0.49 0.00 0.00 39.34 39.07 1x4r n TYR 22 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 1x4r h ILE 23 N 0.00 0.95 -0.92 2.97 2.04 -1.11 -3.37 117.51 118.07 1x4r h ILE 23 Ca 0.68 -2.02 0.23 0.00 1.00 0.00 0.00 64.86 64.76 1x4r h ILE 23 Cb 2.19 2.10 -0.13 0.00 -0.74 0.00 0.00 36.82 40.24 1x4r h ILE 23 CO -0.38 0.32 0.41 0.28 0.00 0.00 0.00 178.15 178.79 1x4r h SER 24 N -1.00 0.35 -1.16 1.72 0.02 0.13 -0.09 113.55 113.51 1x4r h SER 24 Ca -0.22 0.16 0.38 0.00 -0.84 0.00 0.00 61.79 61.27 1x4r h SER 24 Cb 1.09 0.14 -0.09 0.00 0.14 0.00 0.00 62.40 63.68 1x4r h SER 24 CO -0.13 -0.02 0.78 0.35 -1.14 0.00 0.00 176.83 176.66 1x4r n THR 25 N -5.05 -0.13 -3.88 -2.27 -2.24 0.58 -3.01 114.28 98.28 1x4r n THR 25 Ca 0.23 1.28 -0.30 0.00 -2.27 0.00 0.00 64.05 62.99 1x4r n THR 25 Cb 0.70 -2.10 -0.15 0.00 -2.10 0.00 0.00 70.33 66.68 1x4r n THR 25 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1x4r s TYR 26 N -4.70 2.53 0.08 4.78 -0.85 -0.05 -5.10 117.35 114.04 1x4r s TYR 26 Ca -0.05 -2.12 -0.17 0.00 -0.52 0.00 0.00 57.07 54.21 1x4r s TYR 26 Cb 0.22 -2.05 0.03 0.00 0.38 0.00 0.00 41.96 40.55 1x4r s TYR 26 CO 0.63 -0.87 0.39 0.54 -1.52 0.00 0.00 175.55 174.72 1x4r s VAL 27 N 1.34 0.07 -0.07 -3.49 0.11 -1.16 -4.09 120.40 113.10 1x4r s VAL 27 Ca 0.06 -0.55 -0.01 0.00 -2.93 0.00 0.00 61.98 58.56 1x4r s VAL 27 Cb -0.18 -1.06 0.03 0.00 -1.53 0.00 0.00 36.38 33.64 1x4r s VAL 27 CO -0.14 -0.30 -0.02 -0.70 -3.33 0.00 0.00 175.10 170.61 1x4r s GLU 28 N -3.08 0.77 -0.14 1.54 2.56 0.82 -4.87 118.70 116.30 1x4r s GLU 28 Ca -0.01 0.01 0.02 0.00 0.00 0.00 0.00 54.97 54.98 1x4r s GLU 28 Cb 0.01 -1.00 0.00 0.00 2.00 0.00 0.00 34.13 35.14 1x4r s GLU 28 CO -0.07 -0.23 -0.19 -1.58 -0.56 0.00 0.00 175.26 172.63 1x4r s TRP 29 N 1.62 2.70 0.15 5.30 0.52 -1.26 -1.12 118.94 126.85 1x4r s TRP 29 Ca 0.00 -1.12 0.07 0.00 0.02 0.00 0.00 56.10 55.07 1x4r s TRP 29 Cb -0.13 -1.82 -0.04 0.00 -1.15 0.00 0.00 33.47 30.33 1x4r s TRP 29 CO -0.04 -0.49 -0.15 -0.65 0.02 0.00 0.00 176.95 175.64 1x4r s GLN 30 N 0.67 1.14 -0.03 4.98 -0.21 -1.09 -1.97 119.66 123.15 1x4r s GLN 30 Ca -0.09 -1.34 0.07 0.00 0.02 0.00 0.00 55.36 54.01 1x4r s GLN 30 Cb -0.16 -1.06 -0.01 0.00 1.00 0.00 0.00 33.01 32.78 1x4r s GLN 30 CO 0.02 0.20 -0.23 1.52 -2.12 0.00 0.00 175.29 174.68 1x4r s TYR 31 N -2.24 2.13 -0.50 0.91 1.13 -0.41 -0.96 117.35 117.41 1x4r s TYR 31 Ca 0.13 -0.49 -0.21 0.00 -1.41 0.00 0.00 57.07 55.08 1x4r s TYR 31 Cb -0.04 -1.39 0.04 0.00 -1.10 0.00 0.00 41.96 39.47 1x4r s TYR 31 CO 0.04 -0.10 0.74 0.42 -2.51 0.00 0.00 175.55 174.14 1x4r s ILE 32 N -0.37 4.70 0.89 -3.49 1.09 0.13 -2.27 121.20 121.88 1x4r s ILE 32 Ca 0.04 -0.07 -0.12 0.00 -1.10 0.00 0.00 60.65 59.40 1x4r s ILE 32 Cb -0.11 -4.36 0.13 0.00 -1.06 0.00 0.00 42.46 37.06 1x4r s ILE 32 CO 0.01 -0.85 1.11 -0.62 -0.10 0.00 0.00 174.94 174.49 1x4r s ASP 33 N 2.56 3.63 0.00 3.58 2.15 0.77 -3.21 116.67 126.15 1x4r s ASP 33 Ca 0.22 1.16 0.00 0.00 0.43 0.00 0.00 52.55 54.36 1x4r s ASP 33 Cb -0.16 -1.81 0.00 0.00 -0.30 0.00 0.00 42.92 40.65 1x4r s ASP 33 CO 0.16 -2.50 0.35 0.29 -0.17 0.00 0.00 175.17 173.31 1x4r n LYS 34 N -3.76 0.00 -0.07 4.34 5.02 -1.26 -2.51 118.16 119.92 1x4r n LYS 34 Ca 0.06 0.35 0.07 0.00 -2.02 0.00 0.00 58.31 56.77 1x4r n LYS 34 Cb 0.58 -0.57 0.09 0.00 -0.02 0.00 0.00 35.03 35.11 1x4r n LYS 34 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1x4r n ASN 35 N -1.81 2.06 -4.12 4.39 5.15 -1.26 -5.03 115.26 114.64 1x4r n ASN 35 Ca 0.00 -2.68 -0.17 0.00 -0.60 0.00 0.00 54.58 51.12 1x4r n ASN 35 Cb 0.00 -0.29 -0.12 0.00 -0.53 0.00 0.00 39.78 38.84 1x4r n ASN 35 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1x4r s ILE 36 N -2.14 0.92 -0.38 -1.44 1.09 -1.05 -5.12 121.20 113.09 1x4r s ILE 36 Ca 0.21 -1.10 0.01 0.00 -1.10 0.00 0.00 60.65 58.66 1x4r s ILE 36 Cb 0.18 -0.89 0.11 0.00 -1.06 0.00 0.00 42.46 40.79 1x4r s ILE 36 CO 0.02 -0.18 0.13 -0.89 -0.10 0.00 0.00 174.94 173.92 1x4r s THR 37 N -1.12 2.79 0.45 2.92 2.01 -1.26 0.27 115.64 121.70 1x4r s THR 37 Ca -0.03 -2.24 0.07 0.00 0.31 0.00 0.00 61.69 59.80 1x4r s THR 37 Cb -0.09 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 1x4r s THR 37 CO 0.01 -0.65 0.27 -1.10 -0.69 0.00 0.00 174.62 172.46 1x4r s GLN 38 N 0.97 2.30 0.38 4.92 -0.21 -0.96 -4.96 119.66 122.09 1x4r s GLN 38 Ca 0.10 -1.86 0.08 0.00 0.02 0.00 0.00 55.36 53.70 1x4r s GLN 38 Cb -0.21 -2.07 -0.06 0.00 1.00 0.00 0.00 33.01 31.67 1x4r s GLN 38 CO -0.06 -0.28 0.02 0.00 -2.12 0.00 0.00 175.29 172.85 1x4r s PHE 40 N -2.61 2.97 0.84 0.00 0.08 -0.83 -4.81 117.98 113.61 1x4r s PHE 40 Ca 0.36 0.22 -0.12 0.00 0.12 0.00 0.00 56.93 57.51 1x4r s PHE 40 Cb 0.04 -2.82 0.12 0.00 -0.57 0.00 0.00 43.02 39.79 1x4r s PHE 40 CO 0.19 -0.95 1.19 -0.51 -0.10 0.00 0.00 175.22 175.04 1x4r s ASP 41 N -4.41 4.09 0.51 1.36 1.01 -1.26 -4.76 116.67 113.21 1x4r s ASP 41 Ca 0.56 0.51 0.32 0.00 0.71 0.00 0.00 52.55 54.66 1x4r s ASP 41 Cb -0.10 -0.87 1.31 0.00 1.01 0.00 0.00 42.92 44.26 1x4r s ASP 41 CO 0.41 -2.13 1.94 0.07 0.21 0.00 0.00 175.17 175.67 1x4r h LYS 42 N -1.16 0.00 0.00 8.23 -0.00 -1.99 0.15 116.57 121.81 1x4r h LYS 42 Ca -0.45 0.00 -0.26 0.00 -0.00 0.00 0.00 60.65 59.95 1x4r h LYS 42 Cb 1.29 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 33.48 1x4r h LYS 42 CO 0.55 0.00 -1.40 0.52 -0.00 0.00 0.00 179.45 179.12 1x4r h MET 43 N 0.00 0.00 0.02 0.07 2.86 -2.02 -3.38 114.93 112.48 1x4r h MET 43 Ca 0.00 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.40 1x4r h MET 43 Cb 0.49 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 1x4r h MET 43 CO 0.00 0.71 -1.30 1.15 1.06 0.00 0.00 176.91 178.53 1x4r h THR 44 N 0.00 0.93 -0.99 2.22 2.02 -1.86 -3.33 112.91 111.90 1x4r h THR 44 Ca -0.16 -2.22 0.35 0.00 0.77 0.00 0.00 66.41 65.15 1x4r h THR 44 Cb 1.91 2.35 -0.11 0.00 -1.74 0.00 0.00 68.15 70.56 1x4r h THR 44 CO 0.10 0.43 0.62 -0.46 0.37 0.00 0.00 175.52 176.58 1x4r n ASN 45 N -4.28 0.18 0.00 4.18 6.94 0.52 0.22 115.26 123.02 1x4r n ASN 45 Ca -0.30 1.09 -0.17 0.00 -0.02 0.00 0.00 54.58 55.17 1x4r n ASN 45 Cb 0.74 -0.53 -0.12 0.00 -2.36 0.00 0.00 39.78 37.50 1x4r n ASN 45 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1x4r h MET 46 N 0.00 0.31 -0.31 -3.83 -0.00 -1.74 -2.66 114.93 106.71 1x4r h MET 46 Ca 0.66 -0.37 0.09 0.00 -0.00 0.00 0.00 59.70 60.08 1x4r h MET 46 Cb 2.06 0.11 -0.01 0.00 -0.00 0.00 0.00 31.60 33.76 1x4r h MET 46 CO -0.40 1.08 0.57 0.87 -0.00 0.00 0.00 176.91 179.04 1x4r h LYS 47 N -0.29 0.00 0.00 -0.10 1.57 0.26 0.34 116.57 118.36 1x4r h LYS 47 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1x4r h LYS 47 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1x4r h LYS 47 CO 0.10 0.00 -0.29 1.28 -0.57 0.00 0.00 179.45 179.97 1x4r n LEU 48 N -3.23 0.87 -0.32 2.94 4.77 -0.90 -4.07 117.00 117.07 1x4r n LEU 48 Ca 0.05 0.37 0.21 0.00 -0.03 0.00 0.00 56.01 56.62 1x4r n LEU 48 Cb 0.70 -0.66 0.43 0.00 -2.33 0.00 0.00 43.42 41.56 1x4r n LEU 48 CO 0.19 -0.47 1.02 1.05 -1.33 0.00 0.00 177.39 177.85 1x4r h GLU 49 N -0.48 0.18 -0.97 3.23 4.11 -1.14 0.82 114.58 120.33 1x4r h GLU 49 Ca 0.00 -0.01 0.10 0.00 0.07 0.00 0.00 59.36 59.52 1x4r h GLU 49 Cb 0.29 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 1x4r h GLU 49 CO 0.00 0.12 0.62 -0.39 0.07 0.00 0.00 179.01 179.43 1x4r h VAL 50 N 0.19 0.97 -0.01 -1.06 -1.51 -1.14 0.23 116.25 113.92 1x4r h VAL 50 Ca 0.69 -0.34 -0.17 0.00 -1.23 0.00 0.00 66.70 65.65 1x4r h VAL 50 Cb 1.59 -0.12 -0.02 0.00 -2.13 0.00 0.00 31.29 30.61 1x4r h VAL 50 CO -0.69 0.18 -0.79 0.00 -1.23 0.00 0.00 177.57 175.05 1x4r h ALA 51 N 1.53 0.66 -0.02 5.19 0.00 0.48 0.83 119.26 127.93 1x4r h ALA 51 Ca 0.46 -0.68 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 1x4r h ALA 51 Cb 0.40 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1x4r h ALA 51 CO -0.22 0.89 -0.74 2.35 0.00 0.00 0.00 179.25 181.53 1x4r h TRP 52 N 0.08 0.17 0.00 0.00 7.01 -0.15 0.12 115.95 123.19 1x4r h TRP 52 Ca -0.02 -0.08 -0.17 0.00 2.11 0.00 0.00 58.89 60.72 1x4r h TRP 52 Cb 1.37 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 28.38 1x4r h TRP 52 CO 0.02 0.82 -1.37 0.87 -2.79 0.00 0.00 178.44 175.98 1x4r h LYS 53 N 0.08 0.00 -0.46 2.65 1.79 -0.58 -3.31 116.57 116.73 1x4r h LYS 53 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1x4r h LYS 53 Cb 1.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1x4r h LYS 53 CO 0.11 0.32 0.00 0.00 -1.08 0.00 0.00 179.45 178.80 1x4r n ALA 54 N -2.40 2.61 -3.75 3.86 0.00 0.28 -4.87 120.51 116.24 1x4r n ALA 54 Ca -0.09 -0.35 -0.28 0.00 0.00 0.00 0.00 53.44 52.72 1x4r n ALA 54 Cb 0.85 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 19.32 1x4r n ALA 54 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1x4r n LYS 55 N 0.05 -5.38 -2.31 0.00 5.02 -1.19 -4.96 118.16 109.40 1x4r n LYS 55 Ca 0.06 0.62 -0.27 0.00 -2.02 0.00 0.00 58.31 56.70 1x4r n LYS 55 Cb 0.27 -5.50 0.03 0.00 -0.02 0.00 0.00 35.03 29.80 1x4r n LYS 55 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1x4r s LYS 56 N -6.46 2.99 -0.06 1.97 -0.14 0.42 -5.02 119.74 113.46 1x4r s LYS 56 Ca 0.60 0.13 0.01 0.00 -1.36 0.00 0.00 55.97 55.35 1x4r s LYS 56 Cb -0.30 -2.23 -0.26 0.00 -1.68 0.00 0.00 37.83 33.37 1x4r s LYS 56 CO 0.74 -0.71 0.61 -0.22 -0.76 0.00 0.00 175.35 175.02 1x4r h LYS 57 N -0.23 0.17 -1.67 1.68 3.11 -1.93 -3.45 116.57 114.25 1x4r h LYS 57 Ca -0.45 -0.29 0.13 0.00 -2.81 0.00 0.00 60.65 57.23 1x4r h LYS 57 Cb 1.25 0.11 -0.21 0.00 -1.00 0.00 0.00 32.23 32.38 1x4r h LYS 57 CO 0.61 0.94 0.62 0.16 -2.81 0.00 0.00 179.45 178.97 1x4r s ASP 58 N -6.70 -0.30 -0.04 4.20 1.47 -1.26 -2.33 116.67 111.71 1x4r s ASP 58 Ca -0.12 0.20 0.03 0.00 1.18 0.00 0.00 52.55 53.84 1x4r s ASP 58 Cb 0.07 0.27 0.00 0.00 -0.34 0.00 0.00 42.92 42.92 1x4r s ASP 58 CO 0.81 -0.36 -0.14 0.28 0.68 0.00 0.00 175.17 176.45 1x4r s THR 59 N -1.81 1.17 0.04 2.11 -1.32 0.82 -4.93 115.64 111.73 1x4r s THR 59 Ca 0.03 -0.56 -0.24 0.00 -1.21 0.00 0.00 61.69 59.72 1x4r s THR 59 Cb -0.01 -1.03 -0.06 0.00 -1.51 0.00 0.00 72.50 69.89 1x4r s THR 59 CO -0.03 0.35 0.72 -0.69 -2.21 0.00 0.00 174.62 172.76 1x4r s VAL 60 N 0.25 4.74 0.01 5.08 1.01 -1.26 -0.87 120.40 129.36 1x4r s VAL 60 Ca -0.07 1.53 -0.02 0.00 0.00 0.00 0.00 61.98 63.42 1x4r s VAL 60 Cb -0.12 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 1x4r s VAL 60 CO 0.02 0.40 0.03 0.68 0.00 0.00 0.00 175.10 176.23 1x4r s VAL 61 N -0.21 0.08 -0.50 2.92 -7.23 -0.38 -4.95 120.40 110.13 1x4r s VAL 61 Ca 0.36 -0.66 -0.29 0.00 -1.81 0.00 0.00 61.98 59.59 1x4r s VAL 61 Cb -0.20 -0.27 0.02 0.00 0.56 0.00 0.00 36.38 36.49 1x4r s VAL 61 CO 0.22 -0.36 1.25 -1.10 -0.31 0.00 0.00 175.10 174.80 1x4r s GLN 62 N -1.12 3.58 -0.14 4.82 1.11 -1.26 -0.88 119.66 125.77 1x4r s GLN 62 Ca -0.12 0.55 0.02 0.00 0.01 0.00 0.00 55.36 55.82 1x4r s GLN 62 Cb -0.07 -3.99 0.01 0.00 -1.01 0.00 0.00 33.01 27.95 1x4r s GLN 62 CO -0.00 -1.58 -0.20 0.42 0.01 0.00 0.00 175.29 173.94 1x4r s ILE 63 N 5.02 1.91 -1.40 1.08 1.01 0.22 -4.68 121.20 124.36 1x4r s ILE 63 Ca 0.50 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 60.23 1x4r s ILE 63 Cb -0.09 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.68 1x4r s ILE 63 CO 0.30 0.52 0.47 1.41 0.00 0.00 0.00 174.94 177.63 1x4r n HIS 64 N 4.15 -1.61 -2.09 3.97 8.25 -1.26 -1.65 115.22 124.98 1x4r n HIS 64 Ca -0.20 0.40 -0.13 0.00 -0.26 0.00 0.00 57.72 57.53 1x4r n HIS 64 Cb 0.51 -4.03 -0.02 0.00 1.12 0.00 0.00 29.99 27.58 1x4r n HIS 64 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1x4r n ASN 65 N -1.93 -4.27 -3.74 0.41 4.13 -1.26 -5.00 115.26 103.60 1x4r n ASN 65 Ca -0.12 0.06 -0.12 0.00 1.68 0.00 0.00 54.58 56.08 1x4r n ASN 65 Cb 0.61 -3.35 -0.12 0.00 -1.54 0.00 0.00 39.78 35.38 1x4r n ASN 65 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x4r s GLN 66 N -4.37 0.25 0.21 3.52 -2.07 -0.66 -5.13 119.66 111.41 1x4r s GLN 66 Ca 0.00 0.49 -0.31 0.00 -1.82 0.00 0.00 55.36 53.72 1x4r s GLN 66 Cb 0.00 -0.03 -0.11 0.00 -1.09 0.00 0.00 33.01 31.78 1x4r s GLN 66 CO 0.00 -0.12 1.62 -0.51 -1.32 0.00 0.00 175.29 174.96 1x4r s ASP 67 N 0.90 6.47 0.14 12.60 1.01 -1.26 -0.61 116.67 135.91 1x4r s ASP 67 Ca -0.06 2.79 0.06 0.00 0.71 0.00 0.00 52.55 56.04 1x4r s ASP 67 Cb -0.07 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 1x4r s ASP 67 CO -0.06 -0.89 -0.13 -0.36 0.21 0.00 0.00 175.17 173.94 1x4r s PHE 68 N 0.84 1.42 -0.36 4.23 0.40 -0.06 -4.76 117.98 119.69 1x4r s PHE 68 Ca 0.70 -0.61 -0.07 0.00 -0.60 0.00 0.00 56.93 56.35 1x4r s PHE 68 Cb -0.47 -0.72 0.05 0.00 0.51 0.00 0.00 43.02 42.39 1x4r s PHE 68 CO 0.36 0.17 0.14 0.99 0.70 0.00 0.00 175.22 177.57 1x4r s THR 69 N -2.59 3.84 -0.40 0.64 2.01 0.55 -1.24 115.64 118.44 1x4r s THR 69 Ca 0.13 -1.23 -0.20 0.00 0.31 0.00 0.00 61.69 60.70 1x4r s THR 69 Cb -0.02 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.27 1x4r s THR 69 CO 0.03 -0.27 0.60 -0.69 -0.69 0.00 0.00 174.62 173.60 1x4r s VAL 70 N 1.39 4.90 -0.19 3.82 1.01 -0.05 -1.14 120.40 130.14 1x4r s VAL 70 Ca -0.00 0.24 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 1x4r s VAL 70 Cb -0.20 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1x4r s VAL 70 CO 0.02 -0.44 0.58 -0.62 0.00 0.00 0.00 175.10 174.65 1x4r s ASP 71 N 1.89 6.64 0.10 3.32 -1.08 -0.10 -0.13 116.67 127.31 1x4r s ASP 71 Ca 0.21 0.78 0.05 0.00 -0.52 0.00 0.00 52.55 53.07 1x4r s ASP 71 Cb -0.15 -2.33 -0.23 0.00 -1.46 0.00 0.00 42.92 38.76 1x4r s ASP 71 CO 0.16 -0.23 1.21 -0.07 0.52 0.00 0.00 175.17 176.77 1x4r h LEU 72 N 8.03 0.10 -0.94 -1.34 3.38 -1.77 0.51 115.31 123.28 1x4r h LEU 72 Ca -0.33 -0.11 0.26 0.00 0.09 0.00 0.00 57.88 57.80 1x4r h LEU 72 Cb 1.15 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.73 1x4r h LEU 72 CO 0.76 1.09 0.41 -1.28 0.09 0.00 0.00 178.44 179.51 1x4r h SER 73 N 0.02 0.31 0.00 -0.43 0.87 -1.87 -2.73 113.55 109.72 1x4r h SER 73 Ca -0.05 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1x4r h SER 73 Cb 1.83 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.96 1x4r h SER 73 CO 0.14 -0.09 -0.18 1.07 -0.53 0.00 0.00 176.83 177.25 1x4r n THR 74 N -5.10 0.00 -2.48 2.23 5.66 -1.25 -5.04 114.28 108.30 1x4r n THR 74 Ca 0.25 -0.38 -0.07 0.00 -3.05 0.00 0.00 64.05 60.80 1x4r n THR 74 Cb 0.78 0.90 0.04 0.00 -1.55 0.00 0.00 70.33 70.50 1x4r n THR 74 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1x4r n ASN 75 N -1.03 -3.08 -3.82 1.09 3.02 0.16 -4.89 115.26 106.71 1x4r n ASN 75 Ca 0.00 -0.31 -0.13 0.00 -0.03 0.00 0.00 54.58 54.11 1x4r n ASN 75 Cb 0.00 -2.66 -0.14 0.00 -0.61 0.00 0.00 39.78 36.37 1x4r n ASN 75 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1x4r s THR 76 N -3.17 -0.02 0.12 3.41 2.01 -0.33 0.01 115.64 117.67 1x4r s THR 76 Ca 0.11 0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.12 1x4r s THR 76 Cb -0.01 -0.13 -0.06 0.00 0.01 0.00 0.00 72.50 72.31 1x4r s THR 76 CO 0.34 0.03 0.38 0.00 -0.69 0.00 0.00 174.62 174.68 1x4r s ALA 77 N 0.43 3.77 -0.02 7.40 0.00 0.20 -0.93 121.76 132.61 1x4r s ALA 77 Ca -0.03 -0.51 -0.13 0.00 0.00 0.00 0.00 51.96 51.29 1x4r s ALA 77 Cb -0.05 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.93 1x4r s ALA 77 CO -0.02 0.64 0.27 0.99 0.00 0.00 0.00 175.76 177.65 1x4r s THR 78 N -1.59 0.06 0.03 0.00 2.01 -0.29 -0.99 115.64 114.87 1x4r s THR 78 Ca 0.39 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.92 1x4r s THR 78 Cb -0.13 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 1x4r s THR 78 CO 0.22 -0.25 -0.04 0.00 -0.69 0.00 0.00 174.62 173.86 1x4r s ALA 79 N -1.17 0.31 -2.00 7.40 0.00 -0.93 -0.33 121.76 125.04 1x4r s ALA 79 Ca -0.12 -0.80 0.12 0.00 0.00 0.00 0.00 51.96 51.16 1x4r s ALA 79 Cb -0.05 0.17 0.71 0.00 0.00 0.00 0.00 23.12 23.94 1x4r s ALA 79 CO 0.03 -0.20 1.14 -0.35 0.00 0.00 0.00 175.76 176.39 1x4r n PRO 80 N 1.15 0.49 0.03 0.00 -0.04 -1.26 -2.58 135.00 132.79 1x4r n PRO 80 Ca -0.21 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.08 1x4r n PRO 80 Cb 0.57 -1.38 -0.14 0.00 -0.04 0.00 0.00 33.50 32.50 1x4r n PRO 80 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1x4r h GLN 81 N 0.00 0.22 0.00 0.54 1.08 -1.95 -3.48 115.11 111.52 1x4r h GLN 81 Ca 0.00 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 56.83 1x4r h GLN 81 Cb 0.00 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1x4r h GLN 81 CO 0.00 1.04 0.00 0.41 -0.95 0.00 0.00 178.83 179.33 1x4r n GLY 82 N 1.75 1.28 2.90 3.46 0.00 -1.06 -5.15 105.19 108.36 1x4r n GLY 82 Ca -0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 1x4r n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x4r s GLN 83 N 0.00 0.42 0.01 1.61 1.11 -1.26 -5.04 119.66 116.52 1x4r s GLN 83 Ca 0.00 -0.08 0.02 0.00 0.01 0.00 0.00 55.36 55.30 1x4r s GLN 83 Cb 0.00 -0.47 -0.01 0.00 -1.01 0.00 0.00 33.01 31.52 1x4r s GLN 83 CO 0.00 -0.00 -0.05 0.95 0.01 0.00 0.00 175.29 176.19 1x4r s THR 84 N 0.40 0.40 0.34 -0.19 -4.23 -1.26 -2.20 115.64 108.91 1x4r s THR 84 Ca -0.04 -0.42 0.04 0.00 -1.18 0.00 0.00 61.69 60.08 1x4r s THR 84 Cb -0.07 -0.38 -0.04 0.00 1.34 0.00 0.00 72.50 73.35 1x4r s THR 84 CO -0.01 -0.02 0.15 -0.36 -0.54 0.00 0.00 174.62 173.84 1x4r s PHE 85 N -0.44 1.71 -0.13 3.99 0.08 -0.16 -4.71 117.98 118.31 1x4r s PHE 85 Ca -0.01 -1.32 0.02 0.00 0.12 0.00 0.00 56.93 55.74 1x4r s PHE 85 Cb -0.04 -0.99 0.01 0.00 -0.57 0.00 0.00 43.02 41.43 1x4r s PHE 85 CO -0.00 -0.42 -0.21 0.99 -0.10 0.00 0.00 175.22 175.48 1x4r s THR 86 N -3.44 1.96 -0.07 0.64 2.01 -1.20 0.61 115.64 116.16 1x4r s THR 86 Ca 0.32 -0.92 -0.11 0.00 0.31 0.00 0.00 61.69 61.29 1x4r s THR 86 Cb 0.04 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 1x4r s THR 86 CO 0.17 0.53 0.27 0.68 -0.69 0.00 0.00 174.62 175.58 1x4r s VAL 87 N 0.82 5.29 -0.02 3.82 -7.23 0.10 0.18 120.40 123.35 1x4r s VAL 87 Ca -0.08 0.50 0.05 0.00 -1.81 0.00 0.00 61.98 60.65 1x4r s VAL 87 Cb -0.16 -3.55 -0.01 0.00 0.56 0.00 0.00 36.38 33.22 1x4r s VAL 87 CO -0.01 0.58 -0.19 0.00 -0.31 0.00 0.00 175.10 175.18 1x4r s GLN 88 N -0.92 1.63 -0.22 4.82 0.00 -0.13 -4.68 119.66 120.16 1x4r s GLN 88 Ca 0.19 -0.66 -0.12 0.00 -0.00 0.00 0.00 55.36 54.77 1x4r s GLN 88 Cb -0.14 -1.52 -0.05 0.00 0.00 0.00 0.00 33.01 31.30 1x4r s GLN 88 CO 0.08 0.36 0.22 0.50 0.00 0.00 0.00 175.29 176.45 1x4r s ARG 89 N -0.30 4.13 -0.04 9.60 3.52 -1.26 -2.69 118.95 131.92 1x4r s ARG 89 Ca 0.04 -0.12 0.01 0.00 -0.13 0.00 0.00 55.73 55.53 1x4r s ARG 89 Cb -0.09 -3.51 0.02 0.00 -1.56 0.00 0.00 34.95 29.82 1x4r s ARG 89 CO 0.00 0.10 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.04 1x4r s LEU 90 N 0.94 1.38 0.14 -0.88 1.02 -0.27 -5.03 118.68 115.98 1x4r s LEU 90 Ca 0.11 -0.10 -0.19 0.00 0.02 0.00 0.00 54.13 53.96 1x4r s LEU 90 Cb -0.13 -0.38 -0.07 0.00 0.02 0.00 0.00 46.19 45.62 1x4r s LEU 90 CO 0.04 -0.05 0.63 0.54 0.02 0.00 0.00 176.35 177.54 1x4r s VAL 91 N 0.81 4.67 -0.09 -1.59 0.11 -1.26 -0.12 120.40 122.91 1x4r s VAL 91 Ca -0.10 1.22 0.00 0.00 -2.93 0.00 0.00 61.98 60.17 1x4r s VAL 91 Cb -0.13 -3.89 0.02 0.00 -1.53 0.00 0.00 36.38 30.85 1x4r s VAL 91 CO -0.00 0.40 -0.07 -0.54 -3.33 0.00 0.00 175.10 171.56 1x4r s LYS 92 N -1.51 1.35 -0.28 1.54 -0.14 -1.26 -4.91 119.74 114.54 1x4r s LYS 92 Ca 0.35 -0.21 -0.22 0.00 -1.36 0.00 0.00 55.97 54.53 1x4r s LYS 92 Cb -0.18 -1.40 0.10 0.00 -1.68 0.00 0.00 37.83 34.67 1x4r s LYS 92 CO 0.21 -0.21 0.84 0.00 -0.76 0.00 0.00 175.35 175.43 1x4r s ALA 93 N 1.50 -1.93 -0.54 5.17 0.00 -1.26 -4.61 121.76 120.08 1x4r s ALA 93 Ca 0.00 2.10 -0.35 0.00 0.00 0.00 0.00 51.96 53.71 1x4r s ALA 93 Cb -0.13 -1.39 -0.15 0.00 0.00 0.00 0.00 23.12 21.45 1x4r s ALA 93 CO -0.05 -0.32 2.32 -1.13 0.00 0.00 0.00 175.76 176.58 1x4r n SER 94 N 3.06 1.43 -0.97 0.00 3.41 -1.26 -4.87 113.62 114.41 1x4r n SER 94 Ca -0.16 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1x4r n SER 94 Cb 0.56 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 1x4r n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4r n GLY 95 N 6.70 4.80 0.07 5.00 0.00 -1.26 -5.08 105.19 115.42 1x4r n GLY 95 Ca 0.49 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 1x4r n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4r h PRO 96 N 0.00 0.05 -6.64 1.61 0.13 -1.99 -3.44 132.00 121.73 1x4r h PRO 96 Ca 0.00 -0.03 -0.52 0.00 -0.87 0.00 0.00 66.00 64.58 1x4r h PRO 96 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1x4r h PRO 96 CO 0.00 0.53 0.61 0.45 -0.23 0.00 0.00 178.00 179.36 1x4r s SER 97 N -5.76 6.98 -0.34 1.44 0.15 -1.26 -4.93 113.70 109.97 1x4r s SER 97 Ca -0.16 2.29 -0.28 0.00 0.70 0.00 0.00 55.95 58.50 1x4r s SER 97 Cb 0.02 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.70 1x4r s SER 97 CO 0.69 -0.48 1.89 -0.94 1.20 0.00 0.00 173.24 175.60 1x4r s SER 98 N 0.43 5.72 0.00 5.45 1.04 -1.26 -5.07 113.70 120.01 1x4r s SER 98 Ca 0.56 1.30 0.00 0.00 0.48 0.00 0.00 55.95 58.30 1x4r s SER 98 Cb -0.34 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.25 1x4r s SER 98 CO 0.36 -1.84 0.00 0.61 0.98 0.00 0.00 173.24 173.34