#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4r s SER 2 N 0.00 -0.13 0.45 1.61 0.01 -1.26 -5.18 113.70 109.20 1x4r s SER 2 Ca 0.00 -0.84 0.07 0.00 1.31 0.00 0.00 55.95 56.49 1x4r s SER 2 Cb 0.00 0.60 -0.01 0.00 0.21 0.00 0.00 66.02 66.82 1x4r s SER 2 CO 0.00 -1.15 0.34 -0.44 0.41 0.00 0.00 173.24 172.40 1x4r s SER 3 N -2.99 4.78 0.01 2.44 0.01 -1.26 -5.08 113.70 111.61 1x4r s SER 3 Ca 0.19 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.49 1x4r s SER 3 Cb -0.01 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1x4r s SER 3 CO 0.07 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.58 1x4r n GLY 4 N -1.53 -0.59 4.46 3.44 0.00 -1.26 -5.02 105.19 104.69 1x4r n GLY 4 Ca 0.01 0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1x4r n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4r n SER 5 N -2.52 -1.40 -0.04 1.61 7.64 -1.26 -4.80 113.62 112.85 1x4r n SER 5 Ca 0.00 -1.23 -0.07 0.00 1.01 0.00 0.00 58.87 58.58 1x4r n SER 5 Cb 0.00 -1.75 -0.02 0.00 -1.01 0.00 0.00 64.21 61.43 1x4r n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x4r n SER 6 N -2.58 1.54 0.00 6.43 7.64 -1.26 -5.05 113.62 120.34 1x4r n SER 6 Ca 0.02 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1x4r n SER 6 Cb 0.51 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1x4r n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4r n GLY 7 N 2.23 0.00 3.51 0.23 0.00 -1.26 -5.13 105.19 104.77 1x4r n GLY 7 Ca -0.12 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.38 1x4r n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x4r n LYS 8 N 0.00 0.55 -2.04 1.61 5.02 -1.26 -4.89 118.16 117.16 1x4r n LYS 8 Ca 0.00 0.20 -0.26 0.00 -2.02 0.00 0.00 58.31 56.23 1x4r n LYS 8 Cb 0.00 -1.58 0.02 0.00 -0.02 0.00 0.00 35.03 33.45 1x4r n LYS 8 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x4r n SER 9 N 1.86 5.23 -4.66 4.39 7.64 -1.26 -5.03 113.62 121.79 1x4r n SER 9 Ca 0.17 -3.75 -0.43 0.00 1.01 0.00 0.00 58.87 55.87 1x4r n SER 9 Cb 0.20 -0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.93 1x4r n SER 9 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1x4r s ILE 10 N -4.81 4.65 1.22 0.44 -1.09 -1.26 -5.02 121.20 115.32 1x4r s ILE 10 Ca 0.52 1.99 -0.18 0.00 -2.23 0.00 0.00 60.65 60.75 1x4r s ILE 10 Cb 0.42 -4.32 0.25 0.00 -1.58 0.00 0.00 42.46 37.22 1x4r s ILE 10 CO -0.02 -0.22 0.55 -2.11 -1.23 0.00 0.00 174.94 171.90 1x4r n ARG 11 N 6.40 -2.98 -1.50 2.79 1.85 -1.26 -4.84 116.66 117.11 1x4r n ARG 11 Ca 0.12 -0.87 -0.42 0.00 -1.00 0.00 0.00 57.85 55.68 1x4r n ARG 11 Cb 0.46 -1.80 0.00 0.00 -1.05 0.00 0.00 32.46 30.08 1x4r n ARG 11 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 1x4r n LEU 12 N -3.47 0.71 0.04 2.89 -0.00 -1.26 -4.93 117.00 110.99 1x4r n LEU 12 Ca 0.06 0.99 -0.10 0.00 -0.00 0.00 0.00 56.01 56.96 1x4r n LEU 12 Cb 0.53 -1.18 -0.07 0.00 -0.00 0.00 0.00 43.42 42.70 1x4r n LEU 12 CO 0.42 -2.39 0.33 0.00 -0.00 0.00 0.00 177.39 175.75 1x4r h ALA 13 N 1.12 -0.21 -1.25 1.47 0.00 -2.06 -3.48 119.26 114.86 1x4r h ALA 13 Ca -0.40 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.44 1x4r h ALA 13 Cb 1.38 0.08 -0.31 0.00 0.00 0.00 0.00 17.79 18.94 1x4r h ALA 13 CO 0.54 -0.26 0.72 -1.59 0.00 0.00 0.00 179.25 178.66 1x4r s LYS 14 N -3.08 0.21 -0.05 0.00 -2.85 -1.26 -5.06 119.74 107.65 1x4r s LYS 14 Ca -0.11 0.26 -0.18 0.00 -1.00 0.00 0.00 55.97 54.94 1x4r s LYS 14 Cb 0.00 0.10 -0.31 0.00 -2.06 0.00 0.00 37.83 35.56 1x4r s LYS 14 CO 0.41 -0.03 0.79 1.49 0.10 0.00 0.00 175.35 178.11 1x4r h GLU 15 N 3.70 0.33 -0.22 1.78 4.81 -2.04 -3.28 114.58 119.66 1x4r h GLU 15 Ca -0.27 -0.57 0.06 0.00 -0.13 0.00 0.00 59.36 58.45 1x4r h GLU 15 Cb 1.19 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 1x4r h GLU 15 CO 0.16 1.27 0.59 1.57 -0.73 0.00 0.00 179.01 181.88 1x4r h LYS 16 N -0.23 0.00 -1.03 1.92 2.10 -2.03 -1.71 116.57 115.59 1x4r h LYS 16 Ca -0.23 0.00 0.41 0.00 -2.00 0.00 0.00 60.65 58.83 1x4r h LYS 16 Cb 1.81 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 32.97 1x4r h LYS 16 CO 0.15 0.00 0.57 1.49 -2.00 0.00 0.00 179.45 179.66 1x4r h GLU 17 N 0.00 0.06 -0.94 0.07 4.81 -1.99 0.40 114.58 116.98 1x4r h GLU 17 Ca 0.10 -0.00 0.27 0.00 -0.13 0.00 0.00 59.36 59.60 1x4r h GLU 17 Cb 1.29 -0.01 -0.17 0.00 0.63 0.00 0.00 28.75 30.49 1x4r h GLU 17 CO -0.00 0.04 0.18 1.03 -0.73 0.00 0.00 179.01 179.53 1x4r h SER 18 N 0.06 -0.18 -0.00 1.04 0.87 -1.59 0.19 113.55 113.94 1x4r h SER 18 Ca 0.83 0.24 -0.13 0.00 -1.23 0.00 0.00 61.79 61.50 1x4r h SER 18 Cb 2.19 0.37 0.01 0.00 -0.44 0.00 0.00 62.40 64.52 1x4r h SER 18 CO -0.72 -0.29 -0.52 -0.61 -0.53 0.00 0.00 176.83 174.16 1x4r h GLN 19 N 0.09 0.36 -0.69 2.24 4.15 -0.47 -2.28 115.11 118.51 1x4r h GLN 19 Ca 0.61 -0.38 0.15 0.00 0.77 0.00 0.00 58.65 59.80 1x4r h GLN 19 Cb 1.31 0.11 -0.11 0.00 0.21 0.00 0.00 27.48 29.00 1x4r h GLN 19 CO -0.79 1.06 0.08 0.00 -1.93 0.00 0.00 178.83 177.25 1x4r h ALA 20 N 0.31 0.79 -0.14 3.38 0.00 -0.57 -0.93 119.26 122.09 1x4r h ALA 20 Ca -0.07 0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 1x4r h ALA 20 Cb 1.25 0.30 0.01 0.00 0.00 0.00 0.00 17.79 19.35 1x4r h ALA 20 CO 0.10 -0.38 -0.66 0.38 0.00 0.00 0.00 179.25 178.70 1x4r h ASP 21 N 0.18 0.82 -0.84 0.00 3.04 -1.07 -1.98 116.42 116.56 1x4r h ASP 21 Ca 0.38 -0.63 0.20 0.00 -3.24 0.00 0.00 57.03 53.74 1x4r h ASP 21 Cb 0.64 -0.24 -0.12 0.00 -1.04 0.00 0.00 39.33 38.57 1x4r h ASP 21 CO -0.55 1.31 0.29 0.22 -2.04 0.00 0.00 179.24 178.48 1x4r h TYR 22 N 0.37 0.47 0.02 4.15 3.20 -0.59 -1.10 116.97 123.49 1x4r h TYR 22 Ca -0.04 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1x4r h TYR 22 Cb 1.29 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.49 1x4r h TYR 22 CO 0.10 -0.08 -0.01 0.82 -1.64 0.00 0.00 178.16 177.35 1x4r h ILE 23 N 0.33 0.99 -0.93 1.81 2.04 -1.33 -3.35 117.51 117.08 1x4r h ILE 23 Ca 0.50 -1.69 0.22 0.00 1.00 0.00 0.00 64.86 64.89 1x4r h ILE 23 Cb 0.93 1.86 -0.18 0.00 -0.74 0.00 0.00 36.82 38.69 1x4r h ILE 23 CO -0.54 0.33 -0.13 -1.20 0.00 0.00 0.00 178.15 176.61 1x4r n SER 24 N -4.71 -0.24 -0.29 1.72 7.64 -0.75 0.54 113.62 117.53 1x4r n SER 24 Ca -0.06 1.59 0.20 0.00 1.01 0.00 0.00 58.87 61.61 1x4r n SER 24 Cb 0.27 -0.52 0.38 0.00 -1.01 0.00 0.00 64.21 63.33 1x4r n SER 24 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1x4r n THR 25 N -5.46 -0.36 -4.00 0.44 -2.24 -0.45 -3.28 114.28 98.93 1x4r n THR 25 Ca 0.18 1.84 -0.32 0.00 -2.27 0.00 0.00 64.05 63.47 1x4r n THR 25 Cb 0.57 -2.82 -0.14 0.00 -2.10 0.00 0.00 70.33 65.83 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 -5.58 3.57 -0.13 4.78 -0.85 0.19 -5.08 117.35 114.25 1x4r s TYR 26 Ca -0.10 -2.66 -0.19 0.00 -0.52 0.00 0.00 57.07 53.60 1x4r s TYR 26 Cb 0.27 -2.63 0.05 0.00 0.38 0.00 0.00 41.96 40.04 1x4r s TYR 26 CO 0.68 -0.92 0.49 0.54 -1.52 0.00 0.00 175.55 174.82 1x4r s VAL 27 N 1.01 0.01 -0.25 -3.49 0.11 -1.21 -3.66 120.40 112.93 1x4r s VAL 27 Ca 0.04 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 1x4r s VAL 27 Cb -0.20 -0.73 0.07 0.00 -1.53 0.00 0.00 36.38 33.99 1x4r s VAL 27 CO -0.06 -0.05 -0.02 -0.70 -3.33 0.00 0.00 175.10 170.94 1x4r s GLU 28 N -0.26 1.43 -0.25 1.54 2.56 -0.57 -4.96 118.70 118.19 1x4r s GLU 28 Ca -0.04 -1.07 -0.15 0.00 0.00 0.00 0.00 54.97 53.70 1x4r s GLU 28 Cb -0.03 -2.55 -0.04 0.00 2.00 0.00 0.00 34.13 33.51 1x4r s GLU 28 CO 0.03 -0.69 0.39 -1.58 -0.56 0.00 0.00 175.26 172.85 1x4r s TRP 29 N 1.40 3.29 0.09 5.30 0.52 -1.26 -3.00 118.94 125.28 1x4r s TRP 29 Ca -0.02 0.50 0.07 0.00 0.02 0.00 0.00 56.10 56.68 1x4r s TRP 29 Cb -0.19 -2.57 -0.03 0.00 -1.15 0.00 0.00 33.47 29.54 1x4r s TRP 29 CO -0.09 -0.16 -0.19 -0.65 0.02 0.00 0.00 176.95 175.88 1x4r s GLN 30 N 1.83 1.07 -0.01 4.98 -0.21 -1.17 -2.53 119.66 123.62 1x4r s GLN 30 Ca 0.17 -1.10 0.07 0.00 0.02 0.00 0.00 55.36 54.52 1x4r s GLN 30 Cb -0.15 -1.27 -0.02 0.00 1.00 0.00 0.00 33.01 32.56 1x4r s GLN 30 CO 0.09 0.29 -0.23 1.52 -2.12 0.00 0.00 175.29 174.85 1x4r s TYR 31 N -1.16 2.44 -0.43 0.91 1.13 -0.46 -1.44 117.35 118.33 1x4r s TYR 31 Ca 0.05 -0.35 -0.17 0.00 -1.41 0.00 0.00 57.07 55.18 1x4r s TYR 31 Cb -0.10 -1.50 0.03 0.00 -1.10 0.00 0.00 41.96 39.28 1x4r s TYR 31 CO 0.04 0.08 0.46 0.42 -2.51 0.00 0.00 175.55 174.03 1x4r s ILE 32 N -0.71 5.07 0.83 -3.49 1.09 0.12 -2.09 121.20 122.02 1x4r s ILE 32 Ca 0.11 -0.38 -0.12 0.00 -1.10 0.00 0.00 60.65 59.17 1x4r s ILE 32 Cb -0.10 -4.07 0.09 0.00 -1.06 0.00 0.00 42.46 37.32 1x4r s ILE 32 CO 0.01 -0.47 1.12 -0.62 -0.10 0.00 0.00 174.94 174.88 1x4r s ASP 33 N 1.92 4.20 0.00 3.58 -1.08 0.73 -2.72 116.67 123.30 1x4r s ASP 33 Ca 0.12 1.08 0.00 0.00 -0.52 0.00 0.00 52.55 53.23 1x4r s ASP 33 Cb -0.17 -1.73 0.00 0.00 -1.46 0.00 0.00 42.92 39.56 1x4r s ASP 33 CO 0.13 -2.13 0.40 0.29 0.52 0.00 0.00 175.17 174.39 1x4r n LYS 34 N -3.51 0.00 -0.06 4.34 4.76 -1.26 -2.47 118.16 119.97 1x4r n LYS 34 Ca 0.07 0.40 0.08 0.00 -2.87 0.00 0.00 58.31 55.99 1x4r n LYS 34 Cb 0.58 -0.65 0.11 0.00 -1.84 0.00 0.00 35.03 33.23 1x4r n LYS 34 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1x4r n ASN 35 N -1.88 2.24 -4.18 4.39 5.15 -1.26 -5.03 115.26 114.69 1x4r n ASN 35 Ca 0.00 -2.83 -0.15 0.00 -0.60 0.00 0.00 54.58 50.99 1x4r n ASN 35 Cb 0.00 -0.33 -0.11 0.00 -0.53 0.00 0.00 39.78 38.81 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 -2.43 1.00 -0.36 -1.44 1.09 -1.03 -5.12 121.20 112.90 1x4r s ILE 36 Ca 0.25 -1.57 0.03 0.00 -1.10 0.00 0.00 60.65 58.25 1x4r s ILE 36 Cb 0.21 -1.30 0.11 0.00 -1.06 0.00 0.00 42.46 40.42 1x4r s ILE 36 CO 0.02 -0.48 0.10 -0.89 -0.10 0.00 0.00 174.94 173.59 1x4r s THR 37 N -2.17 1.97 0.53 2.92 2.01 -1.26 0.26 115.64 119.90 1x4r s THR 37 Ca 0.04 -2.28 0.05 0.00 0.31 0.00 0.00 61.69 59.81 1x4r s THR 37 Cb -0.05 -2.44 0.03 0.00 0.01 0.00 0.00 72.50 70.05 1x4r s THR 37 CO 0.01 -0.66 0.36 -1.10 -0.69 0.00 0.00 174.62 172.54 1x4r s GLN 38 N 0.87 2.26 0.12 4.92 -1.52 -0.89 -4.96 119.66 120.46 1x4r s GLN 38 Ca 0.12 -2.02 0.06 0.00 -1.95 0.00 0.00 55.36 51.57 1x4r s GLN 38 Cb -0.20 -2.06 -0.04 0.00 -0.22 0.00 0.00 33.01 30.50 1x4r s GLN 38 CO -0.10 -0.56 -0.14 0.00 -0.25 0.00 0.00 175.29 174.24 1x4r s PHE 40 N -2.01 1.73 0.91 0.00 0.40 -1.05 -4.88 117.98 113.07 1x4r s PHE 40 Ca 0.08 0.77 -0.14 0.00 -0.60 0.00 0.00 56.93 57.04 1x4r s PHE 40 Cb -0.06 -3.41 0.21 0.00 0.51 0.00 0.00 43.02 40.28 1x4r s PHE 40 CO 0.03 -3.04 1.24 -0.40 0.70 0.00 0.00 175.22 173.75 1x4r n ASP 41 N -4.22 0.26 0.02 1.36 5.75 -1.26 -4.74 116.55 113.71 1x4r n ASP 41 Ca 0.08 -1.55 -0.08 0.00 -0.01 0.00 0.00 54.79 53.23 1x4r n ASP 41 Cb 0.59 -0.93 0.08 0.00 -1.03 0.00 0.00 41.12 39.82 1x4r n ASP 41 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1x4r h LYS 42 N 0.00 0.50 -0.09 0.11 2.10 -1.98 0.39 116.57 117.60 1x4r h LYS 42 Ca -0.40 -0.31 -0.09 0.00 -2.00 0.00 0.00 60.65 57.85 1x4r h LYS 42 Cb 1.15 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1x4r h LYS 42 CO 0.30 0.91 -0.29 0.52 -2.00 0.00 0.00 179.45 178.88 1x4r h MET 43 N 0.38 0.36 -0.07 0.07 2.86 -2.02 -3.31 114.93 113.21 1x4r h MET 43 Ca 0.01 -0.27 -0.24 0.00 -2.06 0.00 0.00 59.70 57.15 1x4r h MET 43 Cb 1.06 0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.78 1x4r h MET 43 CO 0.10 0.89 -0.90 1.15 1.06 0.00 0.00 176.91 179.21 1x4r h THR 44 N -0.10 1.30 -1.00 2.22 2.02 -1.94 -3.16 112.91 112.26 1x4r h THR 44 Ca -0.01 -2.15 0.41 0.00 0.77 0.00 0.00 66.41 65.43 1x4r h THR 44 Cb 0.92 2.20 -0.18 0.00 -1.74 0.00 0.00 68.15 69.35 1x4r h THR 44 CO 0.06 0.67 0.53 -1.13 0.37 0.00 0.00 175.52 176.02 1x4r h ASN 45 N 0.42 0.31 0.26 4.18 -1.24 -0.29 0.73 115.58 119.95 1x4r h ASN 45 Ca -0.08 0.26 -0.34 0.00 0.71 0.00 0.00 56.30 56.85 1x4r h ASN 45 Cb 1.53 0.27 0.03 0.00 0.73 0.00 0.00 38.32 40.88 1x4r h ASN 45 CO 0.17 -0.42 -1.55 0.00 -1.29 0.00 0.00 177.43 174.34 1x4r h MET 46 N 0.02 0.49 -1.07 6.67 -0.00 -1.66 -3.22 114.93 116.16 1x4r h MET 46 Ca 0.84 -0.84 0.31 0.00 -0.00 0.00 0.00 59.70 60.01 1x4r h MET 46 Cb 2.19 0.31 -0.04 0.00 -0.00 0.00 0.00 31.60 34.06 1x4r h MET 46 CO -0.77 1.40 0.84 0.87 -0.00 0.00 0.00 176.91 179.25 1x4r h LYS 47 N 0.13 0.00 0.00 -0.10 1.57 0.50 0.13 116.57 118.81 1x4r h LYS 47 Ca -0.28 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1x4r h LYS 47 Cb 2.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.45 1x4r h LYS 47 CO 0.25 0.00 -0.20 -0.07 -0.57 0.00 0.00 179.45 178.86 1x4r h LEU 48 N 0.00 0.00 -0.62 2.94 3.38 -1.46 -3.33 115.31 116.22 1x4r h LEU 48 Ca 0.51 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.57 1x4r h LEU 48 Cb 2.18 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.82 1x4r h LEU 48 CO -0.01 0.62 -0.07 1.05 0.09 0.00 0.00 178.44 180.13 1x4r h GLU 49 N -1.00 0.06 -0.84 1.13 4.11 -1.36 0.36 114.58 117.04 1x4r h GLU 49 Ca -0.01 -0.00 0.21 0.00 0.07 0.00 0.00 59.36 59.63 1x4r h GLU 49 Cb 0.23 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.33 1x4r h GLU 49 CO -0.00 0.04 0.23 -0.39 0.07 0.00 0.00 179.01 178.96 1x4r h VAL 50 N 0.06 0.39 -0.20 -1.06 -1.51 -0.95 0.45 116.25 113.43 1x4r h VAL 50 Ca 0.31 -0.08 -0.12 0.00 -1.23 0.00 0.00 66.70 65.58 1x4r h VAL 50 Cb 0.50 0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 29.77 1x4r h VAL 50 CO -0.58 0.05 -0.37 0.00 -1.23 0.00 0.00 177.57 175.43 1x4r h ALA 51 N 1.72 0.98 0.00 5.19 0.00 -1.06 0.40 119.26 126.50 1x4r h ALA 51 Ca 0.51 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1x4r h ALA 51 Cb 0.98 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1x4r h ALA 51 CO -0.60 0.61 -0.49 2.35 0.00 0.00 0.00 179.25 181.12 1x4r h TRP 52 N 0.38 0.00 0.00 0.00 7.01 0.56 0.11 115.95 124.00 1x4r h TRP 52 Ca 0.04 0.00 -0.26 0.00 2.11 0.00 0.00 58.89 60.78 1x4r h TRP 52 Cb 0.83 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.84 1x4r h TRP 52 CO 0.03 0.49 -1.48 0.87 -2.79 0.00 0.00 178.44 175.55 1x4r h LYS 53 N 0.00 0.00 -0.26 2.65 1.79 -0.45 -3.29 116.57 117.01 1x4r h LYS 53 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1x4r h LYS 53 Cb 0.91 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1x4r h LYS 53 CO 0.06 0.64 0.00 0.00 -1.08 0.00 0.00 179.45 179.07 1x4r n ALA 54 N -2.49 2.52 -3.56 3.86 0.00 0.11 -4.86 120.51 116.09 1x4r n ALA 54 Ca -0.12 -0.17 -0.26 0.00 0.00 0.00 0.00 53.44 52.89 1x4r n ALA 54 Cb 1.01 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.18 -5.92 -1.57 0.00 5.02 -1.14 -4.97 118.16 109.40 1x4r n LYS 55 Ca 0.03 0.72 -0.30 0.00 -2.02 0.00 0.00 58.31 56.75 1x4r n LYS 55 Cb 0.13 -5.64 0.18 0.00 -0.02 0.00 0.00 35.03 29.68 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 -6.27 0.29 -0.15 1.97 -0.14 0.36 -5.02 119.74 110.78 1x4r s LYS 56 Ca 0.54 -0.09 0.11 0.00 -1.36 0.00 0.00 55.97 55.16 1x4r s LYS 56 Cb -0.26 -1.78 -0.17 0.00 -1.68 0.00 0.00 37.83 33.95 1x4r s LYS 56 CO 0.66 -2.70 0.02 1.17 -0.76 0.00 0.00 175.35 173.74 1x4r n LYS 57 N -4.04 1.49 -3.63 1.68 3.00 -1.26 -4.79 118.16 110.61 1x4r n LYS 57 Ca 0.12 0.01 -0.07 0.00 -0.00 0.00 0.00 58.31 58.36 1x4r n LYS 57 Cb 0.59 -1.37 -0.06 0.00 0.00 0.00 0.00 35.03 34.20 1x4r n LYS 57 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1x4r s ASP 58 N -4.90 -0.31 -0.09 3.14 -4.77 -1.26 -3.07 116.67 105.42 1x4r s ASP 58 Ca -0.10 0.52 0.04 0.00 -3.30 0.00 0.00 52.55 49.71 1x4r s ASP 58 Cb 0.05 0.50 0.00 0.00 -1.09 0.00 0.00 42.92 42.38 1x4r s ASP 58 CO 0.56 -0.15 -0.21 0.28 0.70 0.00 0.00 175.17 176.34 1x4r s THR 59 N -0.23 1.85 0.12 2.11 -1.32 0.11 -4.92 115.64 113.36 1x4r s THR 59 Ca 0.03 -0.90 -0.24 0.00 -1.21 0.00 0.00 61.69 59.37 1x4r s THR 59 Cb -0.04 -1.60 -0.07 0.00 -1.51 0.00 0.00 72.50 69.28 1x4r s THR 59 CO -0.07 0.51 0.74 -0.69 -2.21 0.00 0.00 174.62 172.91 1x4r s VAL 60 N 0.34 4.53 0.05 5.08 1.01 -1.26 -0.36 120.40 129.78 1x4r s VAL 60 Ca -0.16 1.61 -0.07 0.00 0.00 0.00 0.00 61.98 63.36 1x4r s VAL 60 Cb -0.17 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 1x4r s VAL 60 CO 0.07 0.48 0.14 0.68 0.00 0.00 0.00 175.10 176.47 1x4r s VAL 61 N -0.81 0.13 -0.45 2.92 -7.23 0.27 -4.94 120.40 110.29 1x4r s VAL 61 Ca 0.36 -1.08 -0.25 0.00 -1.81 0.00 0.00 61.98 59.19 1x4r s VAL 61 Cb -0.22 -1.01 0.02 0.00 0.56 0.00 0.00 36.38 35.74 1x4r s VAL 61 CO 0.24 -0.60 0.91 -1.10 -0.31 0.00 0.00 175.10 174.24 1x4r s GLN 62 N -2.88 3.57 -0.13 4.82 1.11 -1.26 0.03 119.66 124.91 1x4r s GLN 62 Ca -0.03 0.19 0.02 0.00 0.01 0.00 0.00 55.36 55.55 1x4r s GLN 62 Cb 0.00 -3.91 0.01 0.00 -1.01 0.00 0.00 33.01 28.11 1x4r s GLN 62 CO -0.06 -1.17 -0.18 0.42 0.01 0.00 0.00 175.29 174.32 1x4r s ILE 63 N 3.65 1.74 -1.50 1.08 1.01 0.23 -4.68 121.20 122.73 1x4r s ILE 63 Ca 0.36 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1x4r s ILE 63 Cb -0.11 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.79 1x4r s ILE 63 CO 0.25 0.49 0.00 1.41 0.00 0.00 0.00 174.94 177.08 1x4r n HIS 64 N 4.30 -0.56 -1.95 3.97 8.25 -1.26 -1.76 115.22 126.20 1x4r n HIS 64 Ca -0.19 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.21 1x4r n HIS 64 Cb 0.51 -3.20 -0.01 0.00 1.12 0.00 0.00 29.99 28.41 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 -1.00 -2.52 -3.75 0.41 3.02 -1.26 -5.03 115.26 105.12 1x4r n ASN 65 Ca -0.19 0.02 -0.12 0.00 -0.03 0.00 0.00 54.58 54.26 1x4r n ASN 65 Cb 0.62 -1.67 -0.12 0.00 -0.61 0.00 0.00 39.78 38.00 1x4r n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x4r s GLN 66 N -3.98 0.26 0.17 3.52 -2.07 -0.72 -5.13 119.66 111.71 1x4r s GLN 66 Ca 0.00 0.46 -0.32 0.00 -1.82 0.00 0.00 55.36 53.69 1x4r s GLN 66 Cb 0.00 0.01 -0.11 0.00 -1.09 0.00 0.00 33.01 31.82 1x4r s GLN 66 CO 0.00 -0.10 1.67 0.16 -1.32 0.00 0.00 175.29 175.70 1x4r s ASP 67 N 0.73 6.48 0.11 12.60 1.47 -1.26 -0.60 116.67 136.20 1x4r s ASP 67 Ca -0.05 2.73 0.06 0.00 1.18 0.00 0.00 52.55 56.47 1x4r s ASP 67 Cb -0.06 -2.59 -0.04 0.00 -0.34 0.00 0.00 42.92 39.89 1x4r s ASP 67 CO -0.05 -0.91 -0.14 -0.36 0.68 0.00 0.00 175.17 174.39 1x4r s PHE 68 N 1.47 1.39 -0.40 2.11 0.40 0.10 -4.77 117.98 118.29 1x4r s PHE 68 Ca 0.74 -0.53 -0.11 0.00 -0.60 0.00 0.00 56.93 56.43 1x4r s PHE 68 Cb -0.46 -0.74 0.05 0.00 0.51 0.00 0.00 43.02 42.38 1x4r s PHE 68 CO 0.32 0.13 0.24 0.99 0.70 0.00 0.00 175.22 177.60 1x4r s THR 69 N -1.96 4.51 -0.45 0.64 2.01 -0.02 -0.57 115.64 119.80 1x4r s THR 69 Ca 0.07 -1.05 -0.21 0.00 0.31 0.00 0.00 61.69 60.81 1x4r s THR 69 Cb -0.06 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.87 1x4r s THR 69 CO 0.03 -0.35 0.67 -0.69 -0.69 0.00 0.00 174.62 173.59 1x4r s VAL 70 N 1.52 4.79 -0.23 3.82 1.01 0.51 -1.60 120.40 130.22 1x4r s VAL 70 Ca 0.02 0.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 1x4r s VAL 70 Cb -0.21 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 1x4r s VAL 70 CO 0.05 -0.66 0.74 -0.62 0.00 0.00 0.00 175.10 174.61 1x4r s ASP 71 N 2.13 6.75 0.04 3.32 2.15 -0.65 0.05 116.67 130.46 1x4r s ASP 71 Ca 0.23 0.93 -0.17 0.00 0.43 0.00 0.00 52.55 53.97 1x4r s ASP 71 Cb -0.14 -2.40 -0.21 0.00 -0.30 0.00 0.00 42.92 39.87 1x4r s ASP 71 CO 0.19 -0.41 1.18 -0.07 -0.17 0.00 0.00 175.17 175.88 1x4r h LEU 72 N 8.81 0.71 -0.60 -1.34 3.38 -1.86 1.00 115.31 125.40 1x4r h LEU 72 Ca -0.26 -0.71 0.11 0.00 0.09 0.00 0.00 57.88 57.10 1x4r h LEU 72 Cb 1.12 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.54 1x4r h LEU 72 CO 0.82 1.32 -0.34 -1.28 0.09 0.00 0.00 178.44 179.05 1x4r h SER 73 N 0.16 -1.18 0.30 -0.43 0.87 -1.87 -2.15 113.55 109.25 1x4r h SER 73 Ca -0.08 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1x4r h SER 73 Cb 1.39 0.59 0.00 0.00 -0.44 0.00 0.00 62.40 63.93 1x4r h SER 73 CO 0.14 -0.30 -1.58 1.07 -0.53 0.00 0.00 176.83 175.63 1x4r n THR 74 N -5.43 0.18 -2.94 2.23 5.66 -1.25 -5.00 114.28 107.73 1x4r n THR 74 Ca 0.04 -0.45 -0.11 0.00 -3.05 0.00 0.00 64.05 60.48 1x4r n THR 74 Cb 0.36 -0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.18 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 -2.29 -2.86 -3.86 1.09 4.13 0.34 -4.91 115.26 106.91 1x4r n ASN 75 Ca -0.02 -0.35 -0.14 0.00 1.68 0.00 0.00 54.58 55.75 1x4r n ASN 75 Cb 0.54 -3.19 -0.15 0.00 -1.54 0.00 0.00 39.78 35.44 1x4r n ASN 75 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1x4r s THR 76 N -3.20 0.09 0.14 3.41 2.01 -0.61 0.40 115.64 117.88 1x4r s THR 76 Ca 0.11 0.02 -0.10 0.00 0.31 0.00 0.00 61.69 62.04 1x4r s THR 76 Cb -0.05 -0.13 -0.06 0.00 0.01 0.00 0.00 72.50 72.27 1x4r s THR 76 CO 0.43 0.06 0.46 0.00 -0.69 0.00 0.00 174.62 174.88 1x4r s ALA 77 N 0.38 3.67 -0.04 7.40 0.00 0.21 -1.64 121.76 131.74 1x4r s ALA 77 Ca -0.03 -0.34 -0.13 0.00 0.00 0.00 0.00 51.96 51.46 1x4r s ALA 77 Cb -0.06 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.75 1x4r s ALA 77 CO -0.01 0.55 0.29 0.99 0.00 0.00 0.00 175.76 177.58 1x4r s THR 78 N -1.56 0.04 0.04 0.00 2.01 -0.63 -0.93 115.64 114.61 1x4r s THR 78 Ca 0.39 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 62.04 1x4r s THR 78 Cb -0.13 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 1x4r s THR 78 CO 0.20 -0.20 -0.05 0.00 -0.69 0.00 0.00 174.62 173.88 1x4r s ALA 79 N -0.89 0.47 -2.00 7.40 0.00 -0.84 -0.84 121.76 125.06 1x4r s ALA 79 Ca -0.10 -0.87 0.11 0.00 0.00 0.00 0.00 51.96 51.11 1x4r s ALA 79 Cb -0.05 0.13 0.67 0.00 0.00 0.00 0.00 23.12 23.88 1x4r s ALA 79 CO 0.03 -0.16 1.10 -0.35 0.00 0.00 0.00 175.76 176.39 1x4r n PRO 80 N 1.07 0.49 0.03 0.00 -0.04 -1.26 -2.57 135.00 132.71 1x4r n PRO 80 Ca -0.20 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.09 1x4r n PRO 80 Cb 0.57 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.21 0.00 0.54 1.08 -1.95 -3.48 115.11 111.50 1x4r h GLN 81 Ca 0.00 -0.35 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 1x4r h GLN 81 Cb 0.00 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1x4r h GLN 81 CO 0.00 1.02 0.00 0.41 -0.95 0.00 0.00 178.83 179.31 1x4r n GLY 82 N 1.75 1.27 3.00 3.46 0.00 -1.06 -5.15 105.19 108.45 1x4r n GLY 82 Ca -0.21 0.00 -0.16 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 0.54 -0.02 1.61 -0.21 -1.26 -5.04 119.66 115.28 1x4r s GLN 83 Ca 0.00 -0.31 -0.03 0.00 0.02 0.00 0.00 55.36 55.04 1x4r s GLN 83 Cb 0.00 -0.49 0.00 0.00 1.00 0.00 0.00 33.01 33.52 1x4r s GLN 83 CO 0.00 0.13 0.08 0.95 -2.12 0.00 0.00 175.29 174.33 1x4r s THR 84 N -0.33 0.02 0.35 -0.19 -4.23 -1.26 -1.98 115.64 108.02 1x4r s THR 84 Ca 0.01 -0.14 0.04 0.00 -1.18 0.00 0.00 61.69 60.42 1x4r s THR 84 Cb -0.04 -0.16 -0.04 0.00 1.34 0.00 0.00 72.50 73.61 1x4r s THR 84 CO -0.00 -0.08 0.13 -0.36 -0.54 0.00 0.00 174.62 173.78 1x4r s PHE 85 N -0.21 1.73 -0.14 3.99 0.08 -0.11 -4.59 117.98 118.72 1x4r s PHE 85 Ca -0.03 -1.27 0.02 0.00 0.12 0.00 0.00 56.93 55.77 1x4r s PHE 85 Cb -0.02 -1.04 0.01 0.00 -0.57 0.00 0.00 43.02 41.40 1x4r s PHE 85 CO 0.00 -0.36 -0.21 0.99 -0.10 0.00 0.00 175.22 175.54 1x4r s THR 86 N -3.40 2.02 -0.11 0.64 2.01 -1.10 0.63 115.64 116.32 1x4r s THR 86 Ca 0.31 -0.95 -0.11 0.00 0.31 0.00 0.00 61.69 61.25 1x4r s THR 86 Cb 0.05 -1.79 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 1x4r s THR 86 CO 0.16 0.54 0.25 0.68 -0.69 0.00 0.00 174.62 175.57 1x4r s VAL 87 N 0.90 5.32 -0.04 3.82 -7.23 0.16 0.13 120.40 123.46 1x4r s VAL 87 Ca -0.05 0.47 0.04 0.00 -1.81 0.00 0.00 61.98 60.63 1x4r s VAL 87 Cb -0.15 -3.56 -0.00 0.00 0.56 0.00 0.00 36.38 33.23 1x4r s VAL 87 CO -0.04 0.52 -0.17 0.00 -0.31 0.00 0.00 175.10 175.11 1x4r s GLN 88 N -0.46 1.74 -0.17 4.82 -2.07 -0.52 -4.68 119.66 118.31 1x4r s GLN 88 Ca 0.17 -0.61 -0.14 0.00 -1.82 0.00 0.00 55.36 52.96 1x4r s GLN 88 Cb -0.13 -1.52 -0.05 0.00 -1.09 0.00 0.00 33.01 30.22 1x4r s GLN 88 CO 0.06 0.25 0.31 0.50 -1.32 0.00 0.00 175.29 175.09 1x4r s ARG 89 N -0.00 4.24 0.02 9.60 3.52 -1.26 -3.06 118.95 132.00 1x4r s ARG 89 Ca -0.03 0.11 0.04 0.00 -0.13 0.00 0.00 55.73 55.72 1x4r s ARG 89 Cb -0.11 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.81 1x4r s ARG 89 CO 0.02 0.18 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.06 1x4r s LEU 90 N 0.66 2.11 -0.10 -0.88 1.02 -1.16 -5.03 118.68 115.29 1x4r s LEU 90 Ca 0.17 -0.34 -0.05 0.00 0.02 0.00 0.00 54.13 53.92 1x4r s LEU 90 Cb -0.13 -0.51 -0.04 0.00 0.02 0.00 0.00 46.19 45.53 1x4r s LEU 90 CO 0.05 0.04 0.09 0.54 0.02 0.00 0.00 176.35 177.09 1x4r s VAL 91 N -0.64 5.06 0.43 -1.59 0.11 -1.26 -1.52 120.40 121.00 1x4r s VAL 91 Ca 0.01 0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.16 1x4r s VAL 91 Cb -0.06 -3.18 0.01 0.00 -1.53 0.00 0.00 36.38 31.61 1x4r s VAL 91 CO 0.00 0.61 0.59 -0.54 -3.33 0.00 0.00 175.10 172.43 1x4r s LYS 92 N -1.00 2.82 -0.11 1.54 -0.14 -1.24 -4.95 119.74 116.65 1x4r s LYS 92 Ca 0.15 -1.19 -0.32 0.00 -1.36 0.00 0.00 55.97 53.25 1x4r s LYS 92 Cb -0.12 -2.74 0.12 0.00 -1.68 0.00 0.00 37.83 33.42 1x4r s LYS 92 CO 0.04 -0.30 1.05 0.00 -0.76 0.00 0.00 175.35 175.38 1x4r s ALA 93 N -2.38 -1.95 -0.25 5.17 0.00 -1.26 -4.95 121.76 116.13 1x4r s ALA 93 Ca 0.55 1.35 -0.01 0.00 0.00 0.00 0.00 51.96 53.85 1x4r s ALA 93 Cb -0.10 0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.08 1x4r s ALA 93 CO 0.33 -0.60 -0.07 -1.12 0.00 0.00 0.00 175.76 174.31 1x4r s SER 94 N -2.18 4.36 0.00 0.00 0.01 -1.26 -5.11 113.70 109.52 1x4r s SER 94 Ca 0.06 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1x4r s SER 94 Cb -0.01 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.58 1x4r s SER 94 CO -0.06 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1x4r n GLY 95 N 4.62 -3.23 3.57 3.44 0.00 -1.26 -4.66 105.19 107.66 1x4r n GLY 95 Ca -0.16 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 1x4r n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4r s PRO 96 N 0.00 2.54 -0.61 1.61 0.04 -1.26 -4.89 135.00 132.42 1x4r s PRO 96 Ca 0.00 -0.60 -0.31 0.00 0.04 0.00 0.00 61.00 60.13 1x4r s PRO 96 Cb 0.00 -5.13 -0.14 0.00 0.04 0.00 0.00 34.50 29.28 1x4r s PRO 96 CO 0.00 -3.58 2.43 0.45 0.04 0.00 0.00 177.00 176.34 1x4r n SER 97 N 14.10 1.54 -4.60 6.66 2.88 -1.26 -4.82 113.62 128.12 1x4r n SER 97 Ca 0.42 0.03 -0.43 0.00 -1.33 0.00 0.00 58.87 57.56 1x4r n SER 97 Cb 0.47 -1.25 -0.03 0.00 -0.75 0.00 0.00 64.21 62.65 1x4r n SER 97 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4r s SER 98 N 9.48 5.66 0.00 -3.46 0.01 -1.26 -5.28 113.70 118.85 1x4r s SER 98 Ca 1.15 1.60 0.00 0.00 1.31 0.00 0.00 55.95 60.00 1x4r s SER 98 Cb -0.78 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 62.93 1x4r s SER 98 CO 0.42 -1.84 0.00 0.61 0.41 0.00 0.00 173.24 172.84