#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4d n SER 2 N 0.00 -7.28 -0.06 1.61 7.64 -1.26 -4.99 113.62 109.28 1x4d n SER 2 Ca 0.00 0.61 -0.10 0.00 1.01 0.00 0.00 58.87 60.40 1x4d n SER 2 Cb 0.00 -4.88 -0.09 0.00 -1.01 0.00 0.00 64.21 58.23 1x4d n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1x4d h SER 3 N 1.92 0.00 -4.75 6.43 0.87 -2.06 -3.50 113.55 112.47 1x4d h SER 3 Ca 0.00 -0.65 0.00 0.00 -1.23 0.00 0.00 61.79 59.91 1x4d h SER 3 Cb 0.73 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1x4d h SER 3 CO 0.16 0.85 -0.58 0.61 -0.53 0.00 0.00 176.83 177.34 1x4d n GLY 4 N 1.66 -2.53 1.78 5.77 0.00 -1.26 -4.84 105.19 105.77 1x4d n GLY 4 Ca -0.07 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1x4d n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4d n SER 5 N 0.08 -8.40 -4.57 1.61 7.64 -1.26 -4.69 113.62 104.03 1x4d n SER 5 Ca 0.05 1.21 -0.43 0.00 1.01 0.00 0.00 58.87 60.71 1x4d n SER 5 Cb 0.19 -4.50 -0.04 0.00 -1.01 0.00 0.00 64.21 58.85 1x4d n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x4d n SER 6 N 1.07 2.86 0.00 6.43 2.88 -1.26 -4.61 113.62 120.99 1x4d n SER 6 Ca 0.00 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1x4d n SER 6 Cb 0.00 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 61.94 1x4d n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4d n GLY 7 N 5.94 -1.89 0.54 0.46 0.00 -1.26 -5.08 105.19 103.90 1x4d n GLY 7 Ca 0.34 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1x4d n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1x4d n GLN 8 N -1.34 0.00 0.35 1.61 0.00 -1.26 -5.01 117.38 111.73 1x4d n GLN 8 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.00 56.85 1x4d n GLN 8 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.17 1x4d n GLN 8 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1x4d h LYS 9 N 0.00 -0.88 -3.28 3.69 1.57 -1.98 -3.48 116.57 112.22 1x4d h LYS 9 Ca 0.00 0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1x4d h LYS 9 Cb 0.00 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1x4d h LYS 9 CO 0.00 -0.56 0.14 0.20 -0.57 0.00 0.00 179.45 178.66 1x4d s GLY 10 N -2.43 0.53 0.31 3.86 0.00 -1.26 -5.17 107.32 103.15 1x4d s GLY 10 Ca -0.15 -0.84 -0.03 0.00 0.00 0.00 0.00 44.72 43.71 1x4d s GLY 10 CO 0.46 -0.44 0.55 -1.60 0.00 0.00 0.00 173.10 172.08 1x4d s ARG 11 N -2.88 3.56 -0.20 2.90 3.52 -1.26 -4.95 118.95 119.64 1x4d s ARG 11 Ca 0.18 -0.14 -0.04 0.00 -0.13 0.00 0.00 55.73 55.61 1x4d s ARG 11 Cb -0.04 -2.65 0.10 0.00 -1.56 0.00 0.00 34.95 30.80 1x4d s ARG 11 CO 0.12 0.18 0.31 0.14 -0.81 0.00 0.00 175.30 175.24 1x4d s VAL 12 N -2.19 -0.48 -0.91 7.11 -7.23 -1.26 -5.09 120.40 110.35 1x4d s VAL 12 Ca 0.42 0.02 -0.24 0.00 -1.81 0.00 0.00 61.98 60.37 1x4d s VAL 12 Cb -0.10 -0.67 -0.02 0.00 0.56 0.00 0.00 36.38 36.15 1x4d s VAL 12 CO 0.33 -0.07 1.78 -0.70 -0.31 0.00 0.00 175.10 176.13 1x4d s GLU 13 N 2.46 2.87 0.50 4.82 2.12 -1.26 -4.94 118.70 125.27 1x4d s GLU 13 Ca 0.07 -0.46 0.04 0.00 0.36 0.00 0.00 54.97 54.98 1x4d s GLU 13 Cb -0.14 -5.07 -0.01 0.00 0.26 0.00 0.00 34.13 29.17 1x4d s GLU 13 CO -0.13 -2.97 0.19 -0.08 -0.54 0.00 0.00 175.26 171.73 1x4d s THR 14 N 8.45 1.63 1.02 -1.70 -1.32 -1.26 -5.11 115.64 117.35 1x4d s THR 14 Ca 0.62 -1.75 -0.19 0.00 -1.21 0.00 0.00 61.69 59.17 1x4d s THR 14 Cb -0.05 -2.38 -0.05 0.00 -1.51 0.00 0.00 72.50 68.51 1x4d s THR 14 CO -0.01 0.00 -0.49 0.54 -2.21 0.00 0.00 174.62 172.44 1x4d n ARG 15 N -1.43 -0.46 -3.51 7.08 1.74 -1.26 -4.77 116.66 114.05 1x4d n ARG 15 Ca -0.08 -0.12 -0.42 0.00 -0.77 0.00 0.00 57.85 56.46 1x4d n ARG 15 Cb 0.65 -1.38 -0.09 0.00 -1.02 0.00 0.00 32.46 30.62 1x4d n ARG 15 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1x4d s ARG 16 N -2.76 2.81 -0.32 5.56 3.00 -1.26 -4.71 118.95 121.27 1x4d s ARG 16 Ca 0.47 -1.34 -0.02 0.00 0.00 0.00 0.00 55.73 54.85 1x4d s ARG 16 Cb -0.10 -3.93 0.12 0.00 0.00 0.00 0.00 34.95 31.04 1x4d s ARG 16 CO 0.71 -0.94 0.19 0.08 0.00 0.00 0.00 175.30 175.34 1x4d s VAL 17 N 1.55 -0.03 -0.58 3.52 1.01 -1.25 -3.40 120.40 121.22 1x4d s VAL 17 Ca 0.03 -1.13 -0.23 0.00 0.00 0.00 0.00 61.98 60.65 1x4d s VAL 17 Cb -0.23 -1.01 0.05 0.00 0.00 0.00 0.00 36.38 35.19 1x4d s VAL 17 CO 0.05 -0.81 0.93 0.54 0.00 0.00 0.00 175.10 175.81 1x4d s VAL 18 N 1.67 4.40 0.06 2.92 0.11 -0.79 -0.26 120.40 128.51 1x4d s VAL 18 Ca 0.13 0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 58.95 1x4d s VAL 18 Cb -0.19 -4.57 -0.05 0.00 -1.53 0.00 0.00 36.38 30.05 1x4d s VAL 18 CO -0.20 -1.19 0.94 -2.28 -3.33 0.00 0.00 175.10 169.05 1x4d s HIS 19 N 3.91 3.75 -0.09 1.54 2.46 -0.19 -2.16 115.29 124.53 1x4d s HIS 19 Ca 0.27 1.73 0.02 0.00 0.47 0.00 0.00 55.06 57.55 1x4d s HIS 19 Cb -0.14 -3.05 0.01 0.00 -0.13 0.00 0.00 32.58 29.27 1x4d s HIS 19 CO 0.16 0.14 -0.14 0.42 -2.47 0.00 0.00 174.74 172.85 1x4d s ILE 20 N 0.35 1.33 0.41 0.89 1.01 0.18 -1.94 121.20 123.43 1x4d s ILE 20 Ca 0.48 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.59 1x4d s ILE 20 Cb -0.22 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1x4d s ILE 20 CO 0.28 0.40 0.12 -0.04 0.00 0.00 0.00 174.94 175.71 1x4d s MET 21 N 0.82 1.92 0.00 2.79 -1.94 -1.01 -2.09 119.30 119.80 1x4d s MET 21 Ca -0.11 -2.17 0.00 0.00 -1.71 0.00 0.00 55.69 51.70 1x4d s MET 21 Cb -0.15 -0.66 0.00 0.00 2.01 0.00 0.00 34.83 36.02 1x4d s MET 21 CO 0.02 -0.46 0.00 -0.25 -0.01 0.00 0.00 175.02 174.32 1x4d n ASP 22 N -1.27 -3.40 -4.86 3.03 8.00 -1.24 -2.15 116.55 114.66 1x4d n ASP 22 Ca -0.06 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.10 1x4d n ASP 22 Cb 0.65 -2.45 -0.06 0.00 -0.02 0.00 0.00 41.12 39.24 1x4d n ASP 22 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1x4d s PHE 23 N -1.42 3.48 0.27 1.24 -0.71 -1.26 -4.73 117.98 114.85 1x4d s PHE 23 Ca 0.00 1.04 0.03 0.00 -1.04 0.00 0.00 56.93 56.95 1x4d s PHE 23 Cb 0.00 -2.37 0.03 0.00 -1.21 0.00 0.00 43.02 39.46 1x4d s PHE 23 CO 0.00 0.29 0.23 1.04 -1.34 0.00 0.00 175.22 175.44 1x4d n GLN 24 N 0.16 1.04 -4.30 1.99 1.13 -1.26 -4.71 117.38 111.44 1x4d n GLN 24 Ca -0.01 -1.62 -0.16 0.00 -1.94 0.00 0.00 57.00 53.27 1x4d n GLN 24 Cb 0.52 0.12 -0.10 0.00 0.11 0.00 0.00 30.24 30.89 1x4d n GLN 24 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1x4d s ARG 25 N -3.12 1.28 0.00 -1.09 0.52 -1.26 -4.97 118.95 110.31 1x4d s ARG 25 Ca 0.18 -1.65 0.00 0.00 -0.52 0.00 0.00 55.73 53.74 1x4d s ARG 25 Cb -0.01 -0.44 0.00 0.00 0.52 0.00 0.00 34.95 35.02 1x4d s ARG 25 CO 0.11 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.70 1x4d n GLY 26 N -0.37 -1.02 3.34 -3.53 0.00 -1.26 -5.02 105.19 97.33 1x4d n GLY 26 Ca -0.05 0.52 -0.37 0.00 0.00 0.00 0.00 46.02 46.13 1x4d n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x4d s LYS 27 N 0.00 3.13 -0.92 1.61 2.20 -1.26 -4.48 119.74 120.02 1x4d s LYS 27 Ca 0.00 -0.83 -0.01 0.00 -0.36 0.00 0.00 55.97 54.77 1x4d s LYS 27 Cb 0.00 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 1x4d s LYS 27 CO 0.00 -0.42 0.12 0.09 -0.36 0.00 0.00 175.35 174.79 1x4d n ASN 28 N 4.86 -3.81 0.26 1.43 5.03 -1.26 -4.94 115.26 116.83 1x4d n ASN 28 Ca -0.15 -0.06 -0.16 0.00 0.87 0.00 0.00 54.58 55.08 1x4d n ASN 28 Cb 0.48 -2.91 -0.08 0.00 -1.02 0.00 0.00 39.78 36.25 1x4d n ASN 28 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1x4d h LEU 29 N -0.28 -0.70 -1.00 3.41 7.12 -1.94 -1.34 115.31 120.58 1x4d h LEU 29 Ca -0.28 0.04 0.08 0.00 0.13 0.00 0.00 57.88 57.85 1x4d h LEU 29 Cb 1.20 0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 41.53 1x4d h LEU 29 CO 0.31 -0.44 0.80 -0.09 -0.13 0.00 0.00 178.44 178.89 1x4d h ARG 30 N -0.69 0.00 0.12 1.25 2.43 -1.94 0.82 114.38 116.36 1x4d h ARG 30 Ca -0.05 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.76 1x4d h ARG 30 Cb 0.57 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1x4d h ARG 30 CO 0.05 0.00 -1.98 0.98 -1.51 0.00 0.00 179.97 177.51 1x4d n TYR 31 N -2.91 1.25 0.07 2.20 4.19 -0.58 -2.94 117.16 118.44 1x4d n TYR 31 Ca 0.05 0.27 0.17 0.00 3.31 0.00 0.00 57.90 61.71 1x4d n TYR 31 Cb 0.89 -1.17 0.69 0.00 0.49 0.00 0.00 39.34 40.25 1x4d n TYR 31 CO 0.00 0.00 0.00 1.96 0.91 0.00 0.00 176.86 179.73 1x4d h GLN 32 N 0.07 0.00 0.10 2.98 1.08 0.15 0.61 115.11 120.10 1x4d h GLN 32 Ca -0.42 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.47 1x4d h GLN 32 Cb 2.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.45 1x4d h GLN 32 CO 0.09 0.00 -1.67 -0.07 -0.95 0.00 0.00 178.83 176.23 1x4d h LEU 33 N 0.00 0.35 -1.52 1.46 3.38 -1.59 -3.35 115.31 114.02 1x4d h LEU 33 Ca 0.19 -0.84 -0.03 0.00 0.09 0.00 0.00 57.88 57.29 1x4d h LEU 33 Cb 0.76 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1x4d h LEU 33 CO -0.00 1.72 -0.13 -0.07 0.09 0.00 0.00 178.44 180.05 1x4d h LEU 34 N -0.24 0.00 -0.23 1.67 3.38 -1.28 -2.15 115.31 116.46 1x4d h LEU 34 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1x4d h LEU 34 Cb 1.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.57 1x4d h LEU 34 CO 0.03 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.69 1x4d n GLN 35 N -3.36 0.10 0.08 1.13 10.64 0.21 0.50 117.38 126.68 1x4d n GLN 35 Ca -0.00 0.26 0.13 0.00 -1.83 0.00 0.00 57.00 55.55 1x4d n GLN 35 Cb 0.33 -1.66 0.30 0.00 -0.86 0.00 0.00 30.24 28.35 1x4d n GLN 35 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1x4d n LEU 36 N -1.85 0.76 0.00 2.61 4.77 -0.81 -4.09 117.00 118.40 1x4d n LEU 36 Ca 0.04 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1x4d n LEU 36 Cb 0.25 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1x4d n LEU 36 CO 0.20 -0.12 -0.39 1.33 -1.33 0.00 0.00 177.39 177.08 1x4d n VAL 37 N -2.19 0.00 -0.14 4.08 0.24 -0.97 -4.73 118.33 114.63 1x4d n VAL 37 Ca 0.05 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.22 1x4d n VAL 37 Cb 0.43 -0.05 -0.09 0.00 -1.47 0.00 0.00 33.84 32.67 1x4d n VAL 37 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1x4d h GLU 38 N 0.00 -0.34 0.00 7.34 4.39 -0.10 0.60 114.58 126.47 1x4d h GLU 38 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1x4d h GLU 38 Cb 0.29 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1x4d h GLU 38 CO 0.00 -0.23 0.00 -0.35 -1.16 0.00 0.00 179.01 177.27 1x4d n PRO 39 N -5.14 0.49 -0.00 2.33 -0.04 -1.26 -1.84 135.00 129.53 1x4d n PRO 39 Ca -0.03 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.50 1x4d n PRO 39 Cb 0.31 -1.40 -0.09 0.00 -0.04 0.00 0.00 33.50 32.28 1x4d n PRO 39 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x4d n PHE 40 N -0.90 0.00 -0.57 0.54 3.72 0.19 -5.09 117.46 115.35 1x4d n PHE 40 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1x4d n PHE 40 Cb 0.04 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 1x4d n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x4d n GLY 41 N 1.46 -0.65 3.72 1.37 0.00 0.12 -4.45 105.19 106.75 1x4d n GLY 41 Ca 0.01 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 1x4d n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4d s VAL 42 N -3.83 4.26 -0.36 1.61 0.11 -1.26 -4.53 120.40 116.40 1x4d s VAL 42 Ca 0.00 -0.73 -0.22 0.00 -2.93 0.00 0.00 61.98 58.11 1x4d s VAL 42 Cb 0.00 -2.98 0.01 0.00 -1.53 0.00 0.00 36.38 31.88 1x4d s VAL 42 CO 0.00 0.24 0.70 -0.63 -3.33 0.00 0.00 175.10 172.09 1x4d s ILE 43 N -1.23 4.82 -0.18 7.04 -1.09 -1.26 -3.00 121.20 126.30 1x4d s ILE 43 Ca 0.24 0.73 -0.16 0.00 -2.23 0.00 0.00 60.65 59.23 1x4d s ILE 43 Cb -0.12 -4.14 -0.22 0.00 -1.58 0.00 0.00 42.46 36.41 1x4d s ILE 43 CO 0.16 -0.36 0.26 -1.20 -1.23 0.00 0.00 174.94 172.56 1x4d n SER 44 N 6.21 1.96 -3.58 3.58 7.64 -0.60 -4.89 113.62 123.93 1x4d n SER 44 Ca 0.01 0.35 0.01 0.00 1.01 0.00 0.00 58.87 60.24 1x4d n SER 44 Cb 0.48 -0.93 -0.06 0.00 -1.01 0.00 0.00 64.21 62.69 1x4d n SER 44 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1x4d s ASN 45 N -6.93 -0.26 0.24 6.43 0.01 -1.05 -5.02 114.94 108.36 1x4d s ASN 45 Ca -0.27 0.41 0.10 0.00 -0.71 0.00 0.00 52.86 52.39 1x4d s ASN 45 Cb 0.06 1.15 -0.04 0.00 0.41 0.00 0.00 41.25 42.83 1x4d s ASN 45 CO 0.65 -0.06 -0.11 -1.38 -1.51 0.00 0.00 177.10 174.69 1x4d s HIS 46 N 1.38 2.53 -0.03 2.20 -3.43 -1.26 0.11 115.29 116.78 1x4d s HIS 46 Ca -0.07 -0.26 -0.00 0.00 -0.80 0.00 0.00 55.06 53.92 1x4d s HIS 46 Cb -0.03 -1.16 0.03 0.00 -1.43 0.00 0.00 32.58 29.99 1x4d s HIS 46 CO -0.13 0.61 0.02 -1.17 -2.00 0.00 0.00 174.74 172.07 1x4d s LEU 47 N -3.31 0.99 -0.31 5.38 0.20 0.85 -4.89 118.68 117.60 1x4d s LEU 47 Ca 0.28 0.02 0.01 0.00 0.69 0.00 0.00 54.13 55.13 1x4d s LEU 47 Cb -0.07 -0.12 0.10 0.00 -0.43 0.00 0.00 46.19 45.66 1x4d s LEU 47 CO 0.16 -0.14 0.07 -0.63 -0.29 0.00 0.00 176.35 175.53 1x4d s ILE 48 N 1.19 1.36 0.32 6.68 1.01 -1.26 -1.01 121.20 129.49 1x4d s ILE 48 Ca -0.08 -1.66 -0.29 0.00 0.00 0.00 0.00 60.65 58.62 1x4d s ILE 48 Cb -0.13 -1.98 -0.11 0.00 0.01 0.00 0.00 42.46 40.25 1x4d s ILE 48 CO -0.03 -0.59 1.56 -0.76 0.00 0.00 0.00 174.94 175.12 1x4d s LEU 49 N 1.38 4.34 -0.50 2.97 1.43 -1.16 -4.90 118.68 122.24 1x4d s LEU 49 Ca 0.09 2.98 -0.02 0.00 -1.03 0.00 0.00 54.13 56.14 1x4d s LEU 49 Cb -0.18 -3.64 0.31 0.00 0.03 0.00 0.00 46.19 42.71 1x4d s LEU 49 CO -0.18 -0.90 2.08 -3.20 0.23 0.00 0.00 176.35 174.38 1x4d n ASN 50 N 1.67 7.06 0.00 2.29 5.15 -1.26 -4.14 115.26 126.02 1x4d n ASN 50 Ca 0.06 -3.42 0.00 0.00 -0.60 0.00 0.00 54.58 50.62 1x4d n ASN 50 Cb 0.38 -1.04 0.00 0.00 -0.53 0.00 0.00 39.78 38.59 1x4d n ASN 50 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1x4d n LYS 51 N -0.20 0.00 -4.07 1.20 5.02 -1.26 -5.13 118.16 113.72 1x4d n LYS 51 Ca 0.46 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.55 1x4d n LYS 51 Cb 0.59 -0.45 -0.06 0.00 -0.02 0.00 0.00 35.03 35.09 1x4d n LYS 51 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1x4d n ILE 52 N -2.41 0.00 -1.23 -0.18 -0.00 -1.26 -5.04 119.36 109.24 1x4d n ILE 52 Ca 0.00 -2.10 -0.20 0.00 -0.00 0.00 0.00 62.75 60.45 1x4d n ILE 52 Cb 0.24 0.83 -0.09 0.00 -0.00 0.00 0.00 39.64 40.62 1x4d n ILE 52 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1x4d n ASN 53 N -1.66 5.99 -4.27 7.28 3.02 -1.26 -4.73 115.26 119.63 1x4d n ASN 53 Ca -0.02 -2.90 -0.32 0.00 -0.03 0.00 0.00 54.58 51.30 1x4d n ASN 53 Cb 0.54 -1.28 -0.16 0.00 -0.61 0.00 0.00 39.78 38.26 1x4d n ASN 53 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1x4d s GLU 54 N -0.68 3.16 0.02 3.52 2.02 -1.26 -3.73 118.70 121.75 1x4d s GLU 54 Ca 0.58 -0.81 -0.07 0.00 0.02 0.00 0.00 54.97 54.69 1x4d s GLU 54 Cb 0.34 -2.42 -0.00 0.00 0.10 0.00 0.00 34.13 32.14 1x4d s GLU 54 CO -0.12 0.18 0.12 0.00 0.02 0.00 0.00 175.26 175.46 1x4d s ALA 55 N 0.37 -0.23 -0.04 5.21 0.00 -0.89 -2.98 121.76 123.21 1x4d s ALA 55 Ca -0.16 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1x4d s ALA 55 Cb -0.17 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.14 1x4d s ALA 55 CO 0.07 -0.25 -0.02 -0.06 0.00 0.00 0.00 175.76 175.51 1x4d s PHE 56 N -1.84 0.50 -0.20 0.00 0.40 -0.18 -0.64 117.98 116.02 1x4d s PHE 56 Ca -0.11 -0.09 -0.02 0.00 -0.60 0.00 0.00 56.93 56.11 1x4d s PHE 56 Cb -0.05 -0.54 -0.00 0.00 0.51 0.00 0.00 43.02 42.93 1x4d s PHE 56 CO -0.01 -0.17 -0.09 0.42 0.70 0.00 0.00 175.22 176.07 1x4d s ILE 57 N 1.09 2.98 -0.11 0.64 1.01 -0.92 -0.11 121.20 125.79 1x4d s ILE 57 Ca -0.09 -0.63 -0.17 0.00 0.00 0.00 0.00 60.65 59.77 1x4d s ILE 57 Cb -0.14 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 1x4d s ILE 57 CO -0.01 0.46 0.42 -0.70 0.00 0.00 0.00 174.94 175.11 1x4d s GLU 58 N 1.31 4.26 0.23 2.79 2.12 0.12 -1.89 118.70 127.63 1x4d s GLU 58 Ca 0.04 0.35 0.05 0.00 0.36 0.00 0.00 54.97 55.77 1x4d s GLU 58 Cb -0.14 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 1x4d s GLU 58 CO -0.05 0.25 0.34 -1.64 -0.54 0.00 0.00 175.26 173.62 1x4d s MET 59 N 0.34 3.40 0.45 4.30 -1.94 -1.22 -1.56 119.30 123.08 1x4d s MET 59 Ca 0.23 -0.76 0.24 0.00 -1.71 0.00 0.00 55.69 53.70 1x4d s MET 59 Cb -0.15 -2.88 0.99 0.00 2.01 0.00 0.00 34.83 34.81 1x4d s MET 59 CO 0.09 0.44 1.86 0.00 -0.01 0.00 0.00 175.02 177.40 1x4d h ALA 60 N 1.33 1.05 -3.28 3.03 0.00 -1.88 -3.43 119.26 116.07 1x4d h ALA 60 Ca -0.51 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 53.93 1x4d h ALA 60 Cb 1.23 -0.03 -0.33 0.00 0.00 0.00 0.00 17.79 18.65 1x4d h ALA 60 CO 0.62 0.27 -0.64 0.95 0.00 0.00 0.00 179.25 180.45 1x4d s THR 61 N -3.72 -0.09 0.55 0.00 -4.23 -1.26 -5.02 115.64 101.87 1x4d s THR 61 Ca 0.00 0.23 0.38 0.00 -1.18 0.00 0.00 61.69 61.12 1x4d s THR 61 Cb 0.11 -0.21 0.57 0.00 1.34 0.00 0.00 72.50 74.30 1x4d s THR 61 CO 0.63 0.09 1.78 0.00 -0.54 0.00 0.00 174.62 176.59 1x4d h THR 62 N 6.18 0.37 -0.83 3.99 1.03 -1.86 0.19 112.91 121.98 1x4d h THR 62 Ca -0.37 -0.00 0.14 0.00 -0.01 0.00 0.00 66.41 66.17 1x4d h THR 62 Cb 1.13 0.37 -0.09 0.00 -1.07 0.00 0.00 68.15 68.49 1x4d h THR 62 CO 0.38 0.00 0.42 -0.33 -0.01 0.00 0.00 175.52 175.98 1x4d h GLU 63 N 0.00 0.60 0.03 0.00 5.08 -1.95 0.32 114.58 118.66 1x4d h GLU 63 Ca 0.60 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.92 1x4d h GLU 63 Cb 2.41 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.52 1x4d h GLU 63 CO -0.01 0.40 -0.01 -0.44 -1.00 0.00 0.00 179.01 177.95 1x4d h ASP 64 N 0.62 -0.04 -0.95 1.42 3.32 -0.83 -2.22 116.42 117.74 1x4d h ASP 64 Ca 0.45 0.00 0.17 0.00 0.02 0.00 0.00 57.03 57.67 1x4d h ASP 64 Cb 0.62 0.01 -0.17 0.00 0.22 0.00 0.00 39.33 40.01 1x4d h ASP 64 CO -0.35 -0.02 -0.31 0.00 -1.72 0.00 0.00 179.24 176.84 1x4d h ALA 65 N -1.96 0.37 -0.74 3.45 0.00 -1.57 0.69 119.26 119.50 1x4d h ALA 65 Ca -0.00 0.32 0.09 0.00 0.00 0.00 0.00 54.91 55.32 1x4d h ALA 65 Cb 0.03 0.86 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 1x4d h ALA 65 CO 0.01 -0.51 0.39 1.96 0.00 0.00 0.00 179.25 181.09 1x4d h GLN 66 N -0.01 0.63 0.04 0.00 4.20 -1.02 -2.44 115.11 116.51 1x4d h GLN 66 Ca 0.39 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 59.06 1x4d h GLN 66 Cb 0.64 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1x4d h GLN 66 CO -0.97 0.42 -0.02 0.00 -0.67 0.00 0.00 178.83 177.59 1x4d h ALA 67 N 1.44 -0.05 -1.19 3.87 0.00 0.88 -2.93 119.26 121.28 1x4d h ALA 67 Ca 0.36 -0.15 0.35 0.00 0.00 0.00 0.00 54.91 55.47 1x4d h ALA 67 Cb 0.37 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.08 1x4d h ALA 67 CO -0.26 -0.38 0.77 0.00 0.00 0.00 0.00 179.25 179.38 1x4d h ALA 68 N 0.59 2.54 -0.22 0.00 0.00 -0.20 0.71 119.26 122.68 1x4d h ALA 68 Ca -0.01 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1x4d h ALA 68 Cb 0.32 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1x4d h ALA 68 CO 0.01 -1.04 -0.50 0.28 0.00 0.00 0.00 179.25 177.99 1x4d h VAL 69 N 0.22 1.31 0.00 0.00 2.07 -1.29 -2.75 116.25 115.81 1x4d h VAL 69 Ca 0.70 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1x4d h VAL 69 Cb 2.06 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 1x4d h VAL 69 CO -0.33 0.54 0.00 -0.67 0.02 0.00 0.00 177.57 177.14 1x4d n ASP 70 N -3.99 0.51 0.07 0.57 2.03 0.25 -0.98 116.55 115.00 1x4d n ASP 70 Ca -0.03 0.69 0.12 0.00 0.52 0.00 0.00 54.79 56.09 1x4d n ASP 70 Cb 0.58 -0.77 0.27 0.00 -0.72 0.00 0.00 41.12 40.49 1x4d n ASP 70 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x4d n TYR 71 N -2.13 0.63 0.01 -0.67 9.36 -1.04 -3.24 117.16 120.08 1x4d n TYR 71 Ca 0.00 0.18 0.00 0.00 3.32 0.00 0.00 57.90 61.41 1x4d n TYR 71 Cb 0.11 -0.73 -0.10 0.00 -0.63 0.00 0.00 39.34 37.99 1x4d n TYR 71 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1x4d n TYR 72 N -2.10 0.68 0.11 2.98 9.36 -0.15 -2.18 117.16 125.85 1x4d n TYR 72 Ca 0.04 0.23 -0.20 0.00 3.32 0.00 0.00 57.90 61.29 1x4d n TYR 72 Cb 0.43 -0.98 -0.13 0.00 -0.63 0.00 0.00 39.34 38.03 1x4d n TYR 72 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1x4d h THR 73 N 0.00 1.37 0.11 2.97 1.03 -1.60 -3.37 112.91 113.41 1x4d h THR 73 Ca -0.20 -2.70 -0.34 0.00 -0.01 0.00 0.00 66.41 63.17 1x4d h THR 73 Cb 1.58 2.81 -0.02 0.00 -1.07 0.00 0.00 68.15 71.46 1x4d h THR 73 CO 0.03 0.80 -1.83 0.71 -0.01 0.00 0.00 175.52 175.23 1x4d h THR 74 N 0.18 0.71 -4.48 0.00 1.35 -1.72 -3.47 112.91 105.48 1x4d h THR 74 Ca -0.17 -2.32 -0.68 0.00 -0.55 0.00 0.00 66.41 62.69 1x4d h THR 74 Cb 1.94 2.47 -0.30 0.00 -1.73 0.00 0.00 68.15 70.54 1x4d h THR 74 CO 0.23 0.79 -0.88 -0.89 -0.25 0.00 0.00 175.52 174.51 1x4d s THR 75 N -2.52 1.97 -0.06 6.82 2.01 -0.93 -5.10 115.64 117.83 1x4d s THR 75 Ca -0.23 -1.06 -0.30 0.00 0.31 0.00 0.00 61.69 60.41 1x4d s THR 75 Cb 0.06 -1.64 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 1x4d s THR 75 CO 0.74 0.56 1.49 -2.16 -0.69 0.00 0.00 174.62 174.56 1x4d s PRO 76 N -0.51 4.22 -0.78 4.92 0.04 -1.26 -3.54 135.00 138.09 1x4d s PRO 76 Ca 0.07 2.01 -0.22 0.00 0.04 0.00 0.00 61.00 62.90 1x4d s PRO 76 Cb -0.10 -3.80 0.08 0.00 0.04 0.00 0.00 34.50 30.71 1x4d s PRO 76 CO -0.00 -0.74 1.11 0.00 0.04 0.00 0.00 177.00 177.41 1x4d s ALA 77 N 3.40 3.06 -0.44 8.56 0.00 -1.26 -4.99 121.76 130.10 1x4d s ALA 77 Ca 0.66 -2.02 -0.20 0.00 0.00 0.00 0.00 51.96 50.40 1x4d s ALA 77 Cb -0.30 -4.04 0.02 0.00 0.00 0.00 0.00 23.12 18.80 1x4d s ALA 77 CO 0.25 -3.00 0.59 -0.51 0.00 0.00 0.00 175.76 173.09 1x4d s LEU 78 N 4.13 4.62 -0.25 0.00 1.43 -1.26 -1.80 118.68 125.56 1x4d s LEU 78 Ca 0.29 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.79 1x4d s LEU 78 Cb -0.11 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 1x4d s LEU 78 CO 0.04 -0.73 0.33 -0.69 0.23 0.00 0.00 176.35 175.53 1x4d s VAL 79 N 2.63 5.22 0.00 -1.59 1.01 0.41 -4.11 120.40 123.97 1x4d s VAL 79 Ca 0.19 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1x4d s VAL 79 Cb -0.15 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1x4d s VAL 79 CO 0.17 0.22 0.00 0.49 0.00 0.00 0.00 175.10 175.98 1x4d n PHE 80 N 4.90 0.00 0.00 5.22 3.72 -1.26 -1.66 117.46 128.38 1x4d n PHE 80 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1x4d n PHE 80 Cb 0.51 -1.12 0.00 0.00 -0.94 0.00 0.00 39.48 37.93 1x4d n PHE 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x4d n GLY 81 N -1.36 2.26 3.69 1.37 0.00 -1.26 -5.10 105.19 104.80 1x4d n GLY 81 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1x4d n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4d s LYS 82 N -0.10 2.55 0.45 1.61 0.00 -0.66 -4.97 119.74 118.62 1x4d s LYS 82 Ca 0.00 -0.90 -0.23 0.00 0.00 0.00 0.00 55.97 54.84 1x4d s LYS 82 Cb 0.00 -2.51 -0.07 0.00 0.00 0.00 0.00 37.83 35.25 1x4d s LYS 82 CO 0.00 0.51 1.17 -1.25 0.00 0.00 0.00 175.35 175.78 1x4d s PRO 83 N -2.53 3.78 0.31 1.78 0.04 -1.26 0.16 135.00 137.27 1x4d s PRO 83 Ca 0.27 1.78 0.04 0.00 0.04 0.00 0.00 61.00 63.13 1x4d s PRO 83 Cb -0.11 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 1x4d s PRO 83 CO 0.19 -0.54 0.15 1.33 0.04 0.00 0.00 177.00 178.17 1x4d n VAL 84 N -0.44 0.00 -4.85 -0.36 0.24 -0.74 -4.79 118.33 107.39 1x4d n VAL 84 Ca 0.07 -1.93 -0.33 0.00 -2.04 0.00 0.00 64.34 60.11 1x4d n VAL 84 Cb 0.48 0.76 -0.13 0.00 -1.47 0.00 0.00 33.84 33.48 1x4d n VAL 84 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1x4d s ARG 85 N -3.21 2.60 -0.09 7.34 0.52 -0.92 -4.76 118.95 120.43 1x4d s ARG 85 Ca 0.21 -0.67 -0.01 0.00 -0.52 0.00 0.00 55.73 54.73 1x4d s ARG 85 Cb 0.01 -2.43 0.03 0.00 0.52 0.00 0.00 34.95 33.08 1x4d s ARG 85 CO 0.15 0.60 -0.02 0.08 0.02 0.00 0.00 175.30 176.13 1x4d s VAL 86 N -0.66 0.55 0.14 3.52 1.01 -1.26 -2.39 120.40 121.32 1x4d s VAL 86 Ca 0.10 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.09 1x4d s VAL 86 Cb -0.11 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1x4d s VAL 86 CO 0.01 0.27 -0.06 -1.00 0.00 0.00 0.00 175.10 174.32 1x4d s HIS 87 N 1.90 1.12 -0.81 5.22 3.76 -0.82 -4.96 115.29 120.70 1x4d s HIS 87 Ca 0.05 -0.89 -0.09 0.00 -0.15 0.00 0.00 55.06 53.97 1x4d s HIS 87 Cb -0.13 -0.62 0.21 0.00 1.11 0.00 0.00 32.58 33.16 1x4d s HIS 87 CO -0.06 -0.09 0.71 -1.17 -0.85 0.00 0.00 174.74 173.28 1x4d s LEU 88 N -3.13 6.14 0.76 0.89 1.98 -1.26 -1.02 118.68 123.05 1x4d s LEU 88 Ca 0.17 -2.96 -0.11 0.00 -2.89 0.00 0.00 54.13 48.34 1x4d s LEU 88 Cb 0.05 -2.07 0.05 0.00 0.66 0.00 0.00 46.19 44.87 1x4d s LEU 88 CO -0.00 -0.44 1.10 -0.44 -1.89 0.00 0.00 176.35 174.68 1x4d s SER 89 N 1.37 4.54 -0.79 3.68 0.01 0.64 -4.95 113.70 118.20 1x4d s SER 89 Ca 0.20 1.87 -0.02 0.00 1.31 0.00 0.00 55.95 59.31 1x4d s SER 89 Cb -0.13 -2.53 0.20 0.00 0.21 0.00 0.00 66.02 63.77 1x4d s SER 89 CO -0.08 -2.01 0.65 -1.10 0.41 0.00 0.00 173.24 171.11 1x4d s GLN 90 N -4.76 2.99 0.53 12.44 -0.21 -1.26 -3.80 119.66 125.58 1x4d s GLN 90 Ca 0.62 -3.04 0.00 0.00 0.02 0.00 0.00 55.36 52.97 1x4d s GLN 90 Cb -0.18 -3.85 0.00 0.00 1.00 0.00 0.00 33.01 29.98 1x4d s GLN 90 CO 0.54 -1.24 0.00 1.63 -2.12 0.00 0.00 175.29 174.10 1x4d n LYS 91 N 2.69 -3.61 0.00 2.91 4.76 -1.26 -4.99 118.16 118.66 1x4d n LYS 91 Ca 0.17 2.81 0.00 0.00 -2.87 0.00 0.00 58.31 58.42 1x4d n LYS 91 Cb 0.37 -3.57 0.00 0.00 -1.84 0.00 0.00 35.03 30.00 1x4d n LYS 91 CO 0.00 0.00 0.00 2.48 -1.37 0.00 0.00 177.40 178.51 1x4d n TYR 92 N -2.67 0.00 0.00 2.13 4.11 -1.26 -5.02 117.16 114.46 1x4d n TYR 92 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.89 1x4d n TYR 92 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.79 1x4d n TYR 92 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1x4d n LYS 93 N -1.23 0.00 -2.09 -3.48 5.02 -1.26 -5.10 118.16 110.02 1x4d n LYS 93 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1x4d n LYS 93 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 1x4d n LYS 93 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1x4d n ARG 94 N 0.00 -5.60 -2.94 1.97 0.63 -1.26 -4.90 116.66 104.56 1x4d n ARG 94 Ca 0.00 3.97 -0.41 0.00 -0.92 0.00 0.00 57.85 60.50 1x4d n ARG 94 Cb 0.00 -4.31 -0.04 0.00 0.45 0.00 0.00 32.46 28.56 1x4d n ARG 94 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1x4d s ILE 95 N -0.52 4.97 -0.30 5.15 1.01 -1.26 -5.01 121.20 125.24 1x4d s ILE 95 Ca 0.00 1.62 -0.18 0.00 0.00 0.00 0.00 60.65 62.10 1x4d s ILE 95 Cb 0.00 -4.12 0.21 0.00 0.01 0.00 0.00 42.46 38.55 1x4d s ILE 95 CO 0.00 0.18 1.29 -0.75 0.00 0.00 0.00 174.94 175.67 1x4d s LYS 96 N 1.15 0.02 -0.57 2.79 2.20 -1.26 -5.00 119.74 119.06 1x4d s LYS 96 Ca 0.41 0.04 -0.27 0.00 -0.36 0.00 0.00 55.97 55.78 1x4d s LYS 96 Cb -0.18 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.15 1x4d s LYS 96 CO 0.19 -0.01 1.58 -1.12 -0.36 0.00 0.00 175.35 175.63 1x4d s SER 97 N 1.44 5.84 0.00 1.43 0.01 -1.26 -4.90 113.70 116.27 1x4d s SER 97 Ca -0.04 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1x4d s SER 97 Cb -0.01 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1x4d s SER 97 CO -0.12 -1.93 0.00 0.61 0.41 0.00 0.00 173.24 172.21 1x4d n GLY 98 N 5.43 1.60 3.77 3.44 0.00 -1.26 -5.16 105.19 113.01 1x4d n GLY 98 Ca 0.15 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1x4d n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4d s PRO 99 N -1.60 2.97 0.25 1.61 0.04 -1.26 -5.05 135.00 131.96 1x4d s PRO 99 Ca 0.00 1.46 -0.03 0.00 0.04 0.00 0.00 61.00 62.47 1x4d s PRO 99 Cb 0.00 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1x4d s PRO 99 CO 0.00 -1.13 0.47 -1.12 0.04 0.00 0.00 177.00 175.27 1x4d s SER 100 N -2.34 6.41 0.03 6.66 0.01 -1.26 -5.11 113.70 118.10 1x4d s SER 100 Ca 0.69 0.55 -0.05 0.00 1.31 0.00 0.00 55.95 58.44 1x4d s SER 100 Cb -0.21 -2.07 -0.01 0.00 0.21 0.00 0.00 66.02 63.93 1x4d s SER 100 CO 0.37 -0.13 0.08 -0.55 0.41 0.00 0.00 173.24 173.43 1x4d s SER 101 N -3.21 0.19 0.00 2.44 0.15 -1.26 -5.35 113.70 106.66 1x4d s SER 101 Ca 0.41 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1x4d s SER 101 Cb -0.11 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1x4d s SER 101 CO 0.30 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.86