#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 0.76 -3.37 1.61 3.41 -1.26 -5.05 113.62 109.72 1x4d n SER 2 Ca 0.00 -2.19 -0.11 0.00 -0.26 0.00 0.00 58.87 56.31 1x4d n SER 2 Cb 0.00 -0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 63.69 1x4d n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x4d s SER 3 N -3.03 0.43 0.00 4.04 0.01 -1.26 -5.13 113.70 108.76 1x4d s SER 3 Ca 0.23 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.63 1x4d s SER 3 Cb 0.37 1.00 0.00 0.00 0.21 0.00 0.00 66.02 67.60 1x4d s SER 3 CO -0.05 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1x4d n GLY 4 N 5.36 4.11 3.22 3.44 0.00 -1.26 -5.17 105.19 114.89 1x4d n GLY 4 Ca -0.04 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 1x4d n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4d s SER 5 N 0.00 1.93 0.51 1.61 0.01 -1.26 -5.16 113.70 111.35 1x4d s SER 5 Ca 0.00 -0.76 0.03 0.00 1.31 0.00 0.00 55.95 56.54 1x4d s SER 5 Cb 0.00 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.19 1x4d s SER 5 CO 0.00 -0.12 0.72 -0.55 0.41 0.00 0.00 173.24 173.70 1x4d s SER 6 N -2.25 5.37 0.00 2.44 0.15 -1.26 -5.06 113.70 113.09 1x4d s SER 6 Ca 0.06 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1x4d s SER 6 Cb -0.06 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.49 1x4d s SER 6 CO 0.03 -1.05 0.00 0.61 1.20 0.00 0.00 173.24 174.03 1x4d n GLY 7 N -2.20 3.12 3.90 9.45 0.00 -1.26 -5.14 105.19 113.06 1x4d n GLY 7 Ca 0.08 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 1x4d n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x4d s GLN 8 N -2.91 3.09 0.23 1.61 1.11 -1.26 -5.10 119.66 116.42 1x4d s GLN 8 Ca 0.00 0.19 -0.20 0.00 0.01 0.00 0.00 55.36 55.36 1x4d s GLN 8 Cb 0.00 -2.22 0.03 0.00 -1.01 0.00 0.00 33.01 29.81 1x4d s GLN 8 CO 0.00 -0.66 0.62 0.21 0.01 0.00 0.00 175.29 175.47 1x4d s LYS 9 N -5.03 1.55 0.00 2.91 2.20 -1.26 -5.16 119.74 114.94 1x4d s LYS 9 Ca 0.54 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 1x4d s LYS 9 Cb -0.11 0.57 0.00 0.00 -1.51 0.00 0.00 37.83 36.79 1x4d s LYS 9 CO 0.47 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 1x4d n GLY 10 N -0.40 -2.49 3.16 5.54 0.00 -1.26 -5.06 105.19 104.67 1x4d n GLY 10 Ca -0.08 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 1x4d n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x4d s ARG 11 N 0.00 0.83 -0.13 1.61 3.52 -1.26 -5.16 118.95 118.36 1x4d s ARG 11 Ca 0.00 -1.34 -0.09 0.00 -0.13 0.00 0.00 55.73 54.17 1x4d s ARG 11 Cb 0.00 -0.11 0.04 0.00 -1.56 0.00 0.00 34.95 33.33 1x4d s ARG 11 CO 0.00 -0.06 0.32 0.14 -0.81 0.00 0.00 175.30 174.88 1x4d s VAL 12 N -3.71 -0.02 -1.21 7.11 -7.23 -1.26 -5.09 120.40 109.00 1x4d s VAL 12 Ca 0.13 0.07 -0.13 0.00 -1.81 0.00 0.00 61.98 60.24 1x4d s VAL 12 Cb 0.06 -0.46 0.18 0.00 0.56 0.00 0.00 36.38 36.72 1x4d s VAL 12 CO -0.04 0.03 1.43 1.21 -0.31 0.00 0.00 175.10 177.41 1x4d n GLU 13 N 3.69 3.40 -3.93 4.82 0.00 -1.26 -4.94 120.64 122.42 1x4d n GLU 13 Ca -0.20 -3.90 -0.25 0.00 0.00 0.00 0.00 57.16 52.82 1x4d n GLU 13 Cb 0.56 -2.99 -0.17 0.00 0.00 0.00 0.00 31.44 28.84 1x4d n GLU 13 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 1x4d s THR 14 N 1.22 0.74 0.00 6.31 -1.32 -1.26 -5.09 115.64 116.24 1x4d s THR 14 Ca 0.42 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.76 1x4d s THR 14 Cb -0.03 -0.81 0.00 0.00 -1.51 0.00 0.00 72.50 70.15 1x4d s THR 14 CO -0.00 0.31 0.00 0.54 -2.21 0.00 0.00 174.62 173.26 1x4d n ARG 15 N 4.85 0.00 -3.43 7.08 1.74 -1.26 -4.78 116.66 120.86 1x4d n ARG 15 Ca -0.12 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.79 1x4d n ARG 15 Cb 0.50 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.83 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 0.00 0.27 -0.32 5.56 3.00 -1.26 -4.43 118.95 121.77 1x4d s ARG 16 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 55.73 55.83 1x4d s ARG 16 Cb 0.00 -0.86 0.12 0.00 0.00 0.00 0.00 34.95 34.21 1x4d s ARG 16 CO 0.00 -0.80 0.19 0.08 0.00 0.00 0.00 175.30 174.76 1x4d s VAL 17 N 2.38 -0.04 -0.45 3.52 1.01 -1.19 -3.42 120.40 122.21 1x4d s VAL 17 Ca 0.09 -1.10 -0.24 0.00 0.00 0.00 0.00 61.98 60.73 1x4d s VAL 17 Cb -0.15 -1.01 0.03 0.00 0.00 0.00 0.00 36.38 35.24 1x4d s VAL 17 CO -0.21 -0.80 0.85 0.54 0.00 0.00 0.00 175.10 175.48 1x4d s VAL 18 N 1.71 4.57 0.02 2.92 0.11 -0.28 0.66 120.40 130.11 1x4d s VAL 18 Ca 0.13 0.60 -0.23 0.00 -2.93 0.00 0.00 61.98 59.54 1x4d s VAL 18 Cb -0.18 -4.37 -0.05 0.00 -1.53 0.00 0.00 36.38 30.25 1x4d s VAL 18 CO -0.21 -0.75 0.71 -2.28 -3.33 0.00 0.00 175.10 169.23 1x4d s HIS 19 N 3.49 3.71 -0.07 1.54 2.46 0.06 -1.92 115.29 124.55 1x4d s HIS 19 Ca 0.33 1.37 0.01 0.00 0.47 0.00 0.00 55.06 57.24 1x4d s HIS 19 Cb -0.11 -2.75 0.02 0.00 -0.13 0.00 0.00 32.58 29.60 1x4d s HIS 19 CO 0.24 0.29 -0.10 0.42 -2.47 0.00 0.00 174.74 173.11 1x4d s ILE 20 N -0.04 1.04 0.41 0.89 1.01 -0.34 -0.23 121.20 123.94 1x4d s ILE 20 Ca 0.36 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.66 1x4d s ILE 20 Cb -0.20 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 1x4d s ILE 20 CO 0.21 0.34 0.15 0.23 0.00 0.00 0.00 174.94 175.87 1x4d n MET 21 N 4.11 0.57 -1.23 2.79 2.81 -0.32 -2.25 117.12 123.59 1x4d n MET 21 Ca -0.21 -3.49 -0.08 0.00 -1.81 0.00 0.00 57.70 52.12 1x4d n MET 21 Cb 0.51 1.94 -0.03 0.00 -0.71 0.00 0.00 33.22 34.93 1x4d n MET 21 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1x4d n ASP 22 N -1.52 -5.46 -4.87 7.83 9.92 -1.25 -0.83 116.55 120.37 1x4d n ASP 22 Ca -0.05 0.20 -0.37 0.00 -0.53 0.00 0.00 54.79 54.03 1x4d n ASP 22 Cb 0.62 -3.66 -0.06 0.00 -0.64 0.00 0.00 41.12 37.38 1x4d n ASP 22 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1x4d s PHE 23 N -1.79 3.61 0.65 1.24 -0.12 -1.26 -4.49 117.98 115.82 1x4d s PHE 23 Ca 0.00 0.58 0.04 0.00 -0.05 0.00 0.00 56.93 57.51 1x4d s PHE 23 Cb 0.00 -2.00 0.12 0.00 -0.63 0.00 0.00 43.02 40.51 1x4d s PHE 23 CO 0.00 0.71 0.89 1.04 -0.05 0.00 0.00 175.22 177.81 1x4d n GLN 24 N 2.03 0.23 -4.45 1.99 6.02 -1.26 -4.67 117.38 117.27 1x4d n GLN 24 Ca -0.19 -2.85 -0.22 0.00 -0.01 0.00 0.00 57.00 53.73 1x4d n GLN 24 Cb 0.55 -0.46 -0.10 0.00 1.02 0.00 0.00 30.24 31.25 1x4d n GLN 24 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1x4d s ARG 25 N -4.84 1.70 0.00 -1.09 0.52 -1.26 -4.98 118.95 109.00 1x4d s ARG 25 Ca 0.63 -1.97 0.00 0.00 -0.52 0.00 0.00 55.73 53.86 1x4d s ARG 25 Cb -0.04 -0.66 0.00 0.00 0.52 0.00 0.00 34.95 34.77 1x4d s ARG 25 CO 0.41 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 175.83 1x4d n GLY 26 N -0.72 -0.97 3.43 -3.53 0.00 -1.26 -5.02 105.19 97.12 1x4d n GLY 26 Ca -0.03 0.42 -0.38 0.00 0.00 0.00 0.00 46.02 46.02 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 3.32 -1.08 1.61 2.20 -1.26 -4.48 119.74 120.04 1x4d s LYS 27 Ca 0.00 -0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 54.84 1x4d s LYS 27 Cb 0.00 -3.53 0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1x4d s LYS 27 CO 0.00 -0.41 0.93 0.09 -0.36 0.00 0.00 175.35 175.60 1x4d n ASN 28 N 4.97 -4.31 0.33 1.43 4.13 -1.26 -4.95 115.26 115.60 1x4d n ASN 28 Ca -0.14 -0.48 -0.15 0.00 1.68 0.00 0.00 54.58 55.49 1x4d n ASN 28 Cb 0.49 -4.32 -0.08 0.00 -1.54 0.00 0.00 39.78 34.34 1x4d n ASN 28 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1x4d h LEU 29 N -2.01 -0.72 -1.79 3.41 7.12 -1.94 -2.47 115.31 116.91 1x4d h LEU 29 Ca -0.48 -0.02 0.53 0.00 0.13 0.00 0.00 57.88 58.04 1x4d h LEU 29 Cb 1.30 0.19 -0.10 0.00 -0.53 0.00 0.00 40.66 41.52 1x4d h LEU 29 CO 0.45 -0.38 1.21 -0.09 -0.13 0.00 0.00 178.44 179.51 1x4d h ARG 30 N -1.10 0.01 0.16 1.25 2.43 -1.95 1.47 114.38 116.65 1x4d h ARG 30 Ca -0.09 -0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.77 1x4d h ARG 30 Cb 0.70 -0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.28 1x4d h ARG 30 CO 0.14 0.01 -1.32 -0.92 -1.51 0.00 0.00 179.97 176.37 1x4d h TYR 31 N 0.01 0.99 -0.73 2.20 5.03 -1.90 -2.01 116.97 120.56 1x4d h TYR 31 Ca 0.90 -0.66 0.09 0.00 2.58 0.00 0.00 58.73 61.64 1x4d h TYR 31 Cb 3.37 -0.07 -0.05 0.00 1.55 0.00 0.00 36.73 41.54 1x4d h TYR 31 CO -0.00 1.50 0.48 1.96 -1.32 0.00 0.00 178.16 180.78 1x4d h GLN 32 N 0.23 0.64 0.12 1.82 1.08 0.25 0.43 115.11 119.67 1x4d h GLN 32 Ca -0.21 -0.04 -0.23 0.00 -1.45 0.00 0.00 58.65 56.73 1x4d h GLN 32 Cb 2.00 -0.14 0.01 0.00 -0.05 0.00 0.00 27.48 29.29 1x4d h GLN 32 CO 0.25 0.42 -1.10 -0.07 -0.95 0.00 0.00 178.83 177.38 1x4d h LEU 33 N 0.66 0.38 -2.01 1.46 3.38 -1.46 -3.32 115.31 114.41 1x4d h LEU 33 Ca 0.33 -0.88 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 1x4d h LEU 33 Cb 0.43 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1x4d h LEU 33 CO -0.12 1.49 -0.09 -0.07 0.09 0.00 0.00 178.44 179.75 1x4d h LEU 34 N -0.39 0.00 -0.25 1.67 3.38 -0.98 -1.17 115.31 117.57 1x4d h LEU 34 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1x4d h LEU 34 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 1x4d h LEU 34 CO 0.08 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.70 1x4d n GLN 35 N -3.55 0.09 0.07 1.13 -0.00 0.15 0.28 117.38 115.54 1x4d n GLN 35 Ca -0.02 0.28 0.13 0.00 -0.00 0.00 0.00 57.00 57.40 1x4d n GLN 35 Cb 0.22 -1.65 0.40 0.00 -0.00 0.00 0.00 30.24 29.21 1x4d n GLN 35 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1x4d n LEU 36 N -1.82 0.62 0.00 2.61 4.77 -0.44 -4.06 117.00 118.68 1x4d n LEU 36 Ca 0.04 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1x4d n LEU 36 Cb 0.23 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1x4d n LEU 36 CO 0.18 -0.11 -0.35 1.33 -1.33 0.00 0.00 177.39 177.12 1x4d n VAL 37 N -2.05 0.00 -0.15 4.08 0.24 -0.92 -4.73 118.33 114.80 1x4d n VAL 37 Ca 0.05 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.23 1x4d n VAL 37 Cb 0.41 -0.31 -0.09 0.00 -1.47 0.00 0.00 33.84 32.38 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 -0.33 0.00 7.34 4.39 -0.32 0.64 114.58 126.30 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 0.44 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1x4d h GLU 38 CO 0.00 -0.22 0.00 -0.35 -1.16 0.00 0.00 179.01 177.28 1x4d n PRO 39 N -5.16 0.49 -0.00 2.33 -0.04 -1.26 -1.89 135.00 129.47 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 -1.39 -0.10 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 -0.89 0.00 0.00 0.54 3.01 0.20 -5.09 117.46 115.23 1x4d n PHE 40 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1x4d n PHE 40 Cb 0.04 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.31 1x4d n PHE 40 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x4d n GLY 41 N 1.55 -0.75 3.72 1.37 0.00 0.20 -4.63 105.19 106.65 1x4d n GLY 41 Ca -0.01 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.00 4.18 -0.31 1.61 0.11 -1.26 -4.56 120.40 116.17 1x4d s VAL 42 Ca 0.00 -1.01 -0.16 0.00 -2.93 0.00 0.00 61.98 57.88 1x4d s VAL 42 Cb 0.00 -3.04 -0.02 0.00 -1.53 0.00 0.00 36.38 31.79 1x4d s VAL 42 CO 0.00 0.05 0.42 -0.63 -3.33 0.00 0.00 175.10 171.61 1x4d s ILE 43 N -1.46 5.12 -0.21 7.04 -1.09 -1.26 -3.38 121.20 125.96 1x4d s ILE 43 Ca 0.28 0.42 -0.13 0.00 -2.23 0.00 0.00 60.65 58.99 1x4d s ILE 43 Cb -0.11 -3.81 -0.19 0.00 -1.58 0.00 0.00 42.46 36.77 1x4d s ILE 43 CO 0.20 -0.01 0.07 -1.20 -1.23 0.00 0.00 174.94 172.77 1x4d n SER 44 N 5.48 1.97 -3.58 3.58 7.64 -0.26 -4.89 113.62 123.55 1x4d n SER 44 Ca -0.07 0.27 -0.00 0.00 1.01 0.00 0.00 58.87 60.07 1x4d n SER 44 Cb 0.50 -0.83 -0.06 0.00 -1.01 0.00 0.00 64.21 62.81 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 -7.00 -0.36 0.37 6.43 0.01 -0.97 -5.01 114.94 108.41 1x4d s ASN 45 Ca -0.30 0.56 0.08 0.00 -0.71 0.00 0.00 52.86 52.49 1x4d s ASN 45 Cb 0.09 1.21 -0.05 0.00 0.41 0.00 0.00 41.25 42.90 1x4d s ASN 45 CO 0.62 -0.09 0.09 -1.38 -1.51 0.00 0.00 177.10 174.84 1x4d s HIS 46 N 1.45 2.60 -0.15 2.20 -3.43 -1.26 0.40 115.29 117.10 1x4d s HIS 46 Ca -0.07 -0.49 -0.07 0.00 -0.80 0.00 0.00 55.06 53.62 1x4d s HIS 46 Cb -0.03 -1.70 0.06 0.00 -1.43 0.00 0.00 32.58 29.48 1x4d s HIS 46 CO -0.14 0.35 0.35 -1.17 -2.00 0.00 0.00 174.74 172.13 1x4d s LEU 47 N -3.80 -0.11 -0.27 5.38 0.20 0.11 -4.97 118.68 115.22 1x4d s LEU 47 Ca 0.38 0.77 -0.00 0.00 0.69 0.00 0.00 54.13 55.97 1x4d s LEU 47 Cb 0.02 1.09 0.08 0.00 -0.43 0.00 0.00 46.19 46.95 1x4d s LEU 47 CO 0.21 -0.20 0.04 -0.63 -0.29 0.00 0.00 176.35 175.48 1x4d s ILE 48 N 1.76 1.17 0.34 6.68 1.01 -1.26 -0.71 121.20 130.19 1x4d s ILE 48 Ca -0.06 -1.31 -0.29 0.00 0.00 0.00 0.00 60.65 58.99 1x4d s ILE 48 Cb -0.10 -1.71 -0.10 0.00 0.01 0.00 0.00 42.46 40.55 1x4d s ILE 48 CO -0.11 -0.42 1.34 -0.76 0.00 0.00 0.00 174.94 174.99 1x4d s LEU 49 N 1.51 4.41 -0.41 2.97 1.43 -1.15 -4.91 118.68 122.52 1x4d s LEU 49 Ca 0.04 2.75 0.02 0.00 -1.03 0.00 0.00 54.13 55.91 1x4d s LEU 49 Cb -0.18 -3.65 0.48 0.00 0.03 0.00 0.00 46.19 42.87 1x4d s LEU 49 CO -0.15 -0.60 1.83 0.59 0.23 0.00 0.00 176.35 178.25 1x4d n ASN 50 N 0.78 4.73 -0.00 2.29 3.02 -1.26 -4.15 115.26 120.67 1x4d n ASN 50 Ca 0.00 -3.35 -0.00 0.00 -0.03 0.00 0.00 54.58 51.20 1x4d n ASN 50 Cb 0.41 -0.85 -0.00 0.00 -0.61 0.00 0.00 39.78 38.73 1x4d n ASN 50 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x4d n LYS 51 N -0.69 0.01 -2.74 3.52 4.76 -1.26 -5.12 118.16 116.64 1x4d n LYS 51 Ca 0.49 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.86 1x4d n LYS 51 Cb 1.19 -0.89 -0.03 0.00 -1.84 0.00 0.00 35.03 33.46 1x4d n LYS 51 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1x4d n ILE 52 N -2.64 0.00 -1.42 -0.18 -0.00 -1.26 -5.04 119.36 108.82 1x4d n ILE 52 Ca -0.01 -0.82 -0.25 0.00 -0.00 0.00 0.00 62.75 61.67 1x4d n ILE 52 Cb 0.51 0.42 -0.08 0.00 -0.00 0.00 0.00 39.64 40.49 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 -2.50 6.30 -4.15 7.28 3.02 -1.26 -4.72 115.26 119.23 1x4d n ASN 53 Ca 0.02 -3.08 -0.33 0.00 -0.03 0.00 0.00 54.58 51.16 1x4d n ASN 53 Cb 0.21 -1.27 -0.16 0.00 -0.61 0.00 0.00 39.78 37.95 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 -1.23 3.01 0.06 3.52 2.02 -1.26 -3.81 118.70 121.02 1x4d s GLU 54 Ca 0.60 -0.83 0.02 0.00 0.02 0.00 0.00 54.97 54.79 1x4d s GLU 54 Cb 0.37 -2.67 -0.03 0.00 0.10 0.00 0.00 34.13 31.90 1x4d s GLU 54 CO -0.18 -0.23 -0.08 0.00 0.02 0.00 0.00 175.26 174.79 1x4d s ALA 55 N 1.31 0.74 -0.03 5.21 0.00 -0.96 -2.93 121.76 125.10 1x4d s ALA 55 Ca 0.04 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1x4d s ALA 55 Cb -0.14 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1x4d s ALA 55 CO -0.11 -0.07 -0.01 -0.06 0.00 0.00 0.00 175.76 175.52 1x4d s PHE 56 N -2.01 0.35 -0.10 0.00 0.08 0.11 -1.20 117.98 115.22 1x4d s PHE 56 Ca -0.03 -0.03 0.03 0.00 0.12 0.00 0.00 56.93 57.01 1x4d s PHE 56 Cb -0.06 -0.39 -0.01 0.00 -0.57 0.00 0.00 43.02 41.99 1x4d s PHE 56 CO -0.01 -0.11 -0.19 0.42 -0.10 0.00 0.00 175.22 175.23 1x4d s ILE 57 N 0.81 2.57 -0.20 0.64 1.01 -0.81 0.07 121.20 125.29 1x4d s ILE 57 Ca -0.08 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.65 1x4d s ILE 57 Cb -0.12 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1x4d s ILE 57 CO -0.01 0.55 0.04 -0.70 0.00 0.00 0.00 174.94 174.82 1x4d s GLU 58 N 0.14 3.81 0.30 2.79 2.12 0.16 -1.12 118.70 126.90 1x4d s GLU 58 Ca -0.10 -0.42 0.03 0.00 0.36 0.00 0.00 54.97 54.84 1x4d s GLU 58 Cb -0.16 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 31.03 1x4d s GLU 58 CO 0.06 0.13 0.46 -1.64 -0.54 0.00 0.00 175.26 173.72 1x4d s MET 59 N 0.74 3.40 0.41 4.30 -1.94 -1.22 -1.10 119.30 123.88 1x4d s MET 59 Ca 0.02 -0.62 0.21 0.00 -1.71 0.00 0.00 55.69 53.58 1x4d s MET 59 Cb -0.14 -2.78 0.84 0.00 2.01 0.00 0.00 34.83 34.76 1x4d s MET 59 CO 0.02 0.25 1.81 0.00 -0.01 0.00 0.00 175.02 177.08 1x4d h ALA 60 N 0.95 1.07 -3.48 3.03 0.00 -1.90 -3.43 119.26 115.49 1x4d h ALA 60 Ca -0.50 -0.28 -0.31 0.00 0.00 0.00 0.00 54.91 53.81 1x4d h ALA 60 Cb 1.23 -0.05 -0.35 0.00 0.00 0.00 0.00 17.79 18.62 1x4d h ALA 60 CO 0.60 0.38 -0.73 0.95 0.00 0.00 0.00 179.25 180.45 1x4d s THR 61 N -3.75 -0.06 0.57 0.00 -4.23 -1.26 -5.01 115.64 101.90 1x4d s THR 61 Ca -0.00 0.26 0.32 0.00 -1.18 0.00 0.00 61.69 61.08 1x4d s THR 61 Cb 0.11 -0.10 0.46 0.00 1.34 0.00 0.00 72.50 74.31 1x4d s THR 61 CO 0.66 0.11 1.75 0.00 -0.54 0.00 0.00 174.62 176.61 1x4d h THR 62 N 6.32 0.31 -0.55 3.99 1.03 -1.83 0.43 112.91 122.61 1x4d h THR 62 Ca -0.40 0.00 0.03 0.00 -0.01 0.00 0.00 66.41 66.03 1x4d h THR 62 Cb 1.12 0.42 -0.03 0.00 -1.07 0.00 0.00 68.15 68.59 1x4d h THR 62 CO 0.42 0.00 0.37 -0.33 -0.01 0.00 0.00 175.52 175.97 1x4d h GLU 63 N 0.00 0.64 0.15 0.00 5.08 -1.95 -1.34 114.58 117.16 1x4d h GLU 63 Ca 0.41 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1x4d h GLU 63 Cb 1.94 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1x4d h GLU 63 CO -0.00 0.42 -0.07 -0.44 -1.00 0.00 0.00 179.01 177.92 1x4d h ASP 64 N 0.66 -0.17 -0.74 1.42 3.32 -0.38 -2.82 116.42 117.71 1x4d h ASP 64 Ca 0.22 0.01 0.13 0.00 0.02 0.00 0.00 57.03 57.41 1x4d h ASP 64 Cb 0.06 0.04 -0.14 0.00 0.22 0.00 0.00 39.33 39.52 1x4d h ASP 64 CO -0.06 -0.04 -0.30 0.00 -1.72 0.00 0.00 179.24 177.12 1x4d h ALA 65 N -1.76 0.19 -0.85 3.45 0.00 -1.58 0.33 119.26 119.04 1x4d h ALA 65 Ca -0.02 0.24 0.17 0.00 0.00 0.00 0.00 54.91 55.29 1x4d h ALA 65 Cb 0.15 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 1x4d h ALA 65 CO 0.03 -0.57 0.40 1.96 0.00 0.00 0.00 179.25 181.07 1x4d h GLN 66 N -0.08 0.51 -0.33 0.00 4.20 -1.36 -0.74 115.11 117.31 1x4d h GLN 66 Ca 0.30 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.96 1x4d h GLN 66 Cb 0.57 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1x4d h GLN 66 CO -0.78 0.34 0.12 0.00 -0.67 0.00 0.00 178.83 177.83 1x4d h ALA 67 N 1.60 0.44 -0.55 3.87 0.00 -0.13 -2.41 119.26 122.08 1x4d h ALA 67 Ca 0.49 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.41 1x4d h ALA 67 Cb 0.78 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1x4d h ALA 67 CO -0.42 0.06 0.42 0.00 0.00 0.00 0.00 179.25 179.31 1x4d h ALA 68 N 0.96 2.46 0.01 0.00 0.00 0.11 -1.10 119.26 121.69 1x4d h ALA 68 Ca 0.11 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1x4d h ALA 68 Cb 0.22 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1x4d h ALA 68 CO -0.01 -0.71 -0.52 0.28 0.00 0.00 0.00 179.25 178.30 1x4d h VAL 69 N 0.00 1.47 0.00 0.00 2.07 -0.96 -3.15 116.25 115.68 1x4d h VAL 69 Ca 0.26 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.70 1x4d h VAL 69 Cb 1.10 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 1x4d h VAL 69 CO -0.00 0.59 0.09 -0.67 0.02 0.00 0.00 177.57 177.61 1x4d n ASP 70 N -4.29 0.47 0.14 0.57 2.03 -0.44 0.10 116.55 115.12 1x4d n ASP 70 Ca -0.10 0.68 0.09 0.00 0.52 0.00 0.00 54.79 55.98 1x4d n ASP 70 Cb 0.64 -0.71 0.05 0.00 -0.72 0.00 0.00 41.12 40.37 1x4d n ASP 70 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1x4d h TYR 71 N 0.00 0.00 0.00 -0.67 3.20 -1.45 -3.09 116.97 114.96 1x4d h TYR 71 Ca 0.00 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.72 1x4d h TYR 71 Cb 0.19 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1x4d h TYR 71 CO 0.00 0.11 -1.06 -0.92 -1.64 0.00 0.00 178.16 174.65 1x4d h TYR 72 N 0.00 0.00 0.00 -3.82 3.20 -0.41 0.10 116.97 116.04 1x4d h TYR 72 Ca -0.02 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.66 1x4d h TYR 72 Cb 1.10 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 1x4d h TYR 72 CO 0.00 0.56 -1.09 0.00 -1.64 0.00 0.00 178.16 175.99 1x4d h THR 73 N 0.00 1.12 0.01 1.81 1.03 -1.59 -3.37 112.91 111.92 1x4d h THR 73 Ca -0.10 -2.74 -0.37 0.00 -0.01 0.00 0.00 66.41 63.20 1x4d h THR 73 Cb 1.52 2.52 -0.07 0.00 -1.07 0.00 0.00 68.15 71.05 1x4d h THR 73 CO 0.06 0.64 -2.35 0.35 -0.01 0.00 0.00 175.52 174.20 1x4d n THR 74 N -3.18 1.45 -4.71 0.00 -2.24 -1.17 -4.96 114.28 99.48 1x4d n THR 74 Ca -0.05 -0.75 -0.23 0.00 -2.27 0.00 0.00 64.05 60.75 1x4d n THR 74 Cb 0.89 -0.86 -0.15 0.00 -2.10 0.00 0.00 70.33 68.11 1x4d n THR 74 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x4d s THR 75 N -2.51 1.20 -0.06 4.28 2.01 0.02 -5.09 115.64 115.50 1x4d s THR 75 Ca -0.18 -0.64 -0.30 0.00 0.31 0.00 0.00 61.69 60.88 1x4d s THR 75 Cb 0.07 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 1x4d s THR 75 CO 0.75 0.34 1.49 -2.16 -0.69 0.00 0.00 174.62 174.36 1x4d s PRO 76 N -0.25 4.22 -0.71 4.92 0.04 -1.26 -3.67 135.00 138.29 1x4d s PRO 76 Ca 0.04 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 62.87 1x4d s PRO 76 Cb -0.07 -3.80 0.07 0.00 0.04 0.00 0.00 34.50 30.75 1x4d s PRO 76 CO -0.00 -0.73 1.02 0.00 0.04 0.00 0.00 177.00 177.33 1x4d s ALA 77 N 3.37 3.10 -0.42 8.56 0.00 -1.26 -5.00 121.76 130.12 1x4d s ALA 77 Ca 0.67 -1.93 -0.18 0.00 0.00 0.00 0.00 51.96 50.52 1x4d s ALA 77 Cb -0.30 -3.93 0.02 0.00 0.00 0.00 0.00 23.12 18.90 1x4d s ALA 77 CO 0.25 -2.87 0.46 -0.51 0.00 0.00 0.00 175.76 173.10 1x4d s LEU 78 N 4.06 4.81 -0.24 0.00 1.43 -1.26 -2.15 118.68 125.33 1x4d s LEU 78 Ca 0.25 -0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 52.59 1x4d s LEU 78 Cb -0.14 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 1x4d s LEU 78 CO 0.08 -0.60 0.33 -0.69 0.23 0.00 0.00 176.35 175.70 1x4d s VAL 79 N 2.22 5.22 0.00 -1.59 1.01 0.42 -4.11 120.40 123.57 1x4d s VAL 79 Ca 0.13 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1x4d s VAL 79 Cb -0.17 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1x4d s VAL 79 CO 0.14 0.23 0.00 0.49 0.00 0.00 0.00 175.10 175.96 1x4d n PHE 80 N 4.86 0.00 0.00 5.22 3.72 -1.26 -1.55 117.46 128.45 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 -1.22 0.00 0.00 -0.94 0.00 0.00 39.48 37.83 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 -1.15 2.32 3.74 1.37 0.00 -1.26 -5.10 105.19 105.11 1x4d n GLY 81 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.15 2.67 0.64 1.61 0.00 -0.60 -4.97 119.74 118.94 1x4d s LYS 82 Ca 0.00 -0.97 -0.16 0.00 0.00 0.00 0.00 55.97 54.84 1x4d s LYS 82 Cb 0.00 -2.52 -0.01 0.00 0.00 0.00 0.00 37.83 35.31 1x4d s LYS 82 CO 0.00 0.47 1.11 -1.25 0.00 0.00 0.00 175.35 175.69 1x4d s PRO 83 N -3.01 2.88 0.00 1.78 0.04 -1.26 0.16 135.00 135.59 1x4d s PRO 83 Ca 0.29 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1x4d s PRO 83 Cb -0.10 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1x4d s PRO 83 CO 0.21 -1.19 0.00 1.33 0.04 0.00 0.00 177.00 177.39 1x4d n VAL 84 N -2.26 0.00 -4.81 -0.36 0.24 -0.91 -4.74 118.33 105.48 1x4d n VAL 84 Ca 0.11 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.16 1x4d n VAL 84 Cb 0.52 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.74 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 -1.60 1.39 -0.03 7.34 0.52 -0.01 -4.83 118.95 121.72 1x4d s ARG 85 Ca 0.00 -0.62 0.01 0.00 -0.52 0.00 0.00 55.73 54.60 1x4d s ARG 85 Cb 0.00 -1.35 0.02 0.00 0.52 0.00 0.00 34.95 34.14 1x4d s ARG 85 CO 0.00 0.37 -0.03 0.08 0.02 0.00 0.00 175.30 175.74 1x4d s VAL 86 N -0.41 0.38 0.20 3.52 1.01 -1.26 -1.18 120.40 122.66 1x4d s VAL 86 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1x4d s VAL 86 Cb -0.07 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1x4d s VAL 86 CO -0.01 0.17 0.12 -1.00 0.00 0.00 0.00 175.10 174.38 1x4d s HIS 87 N 0.67 1.20 -0.81 5.22 3.76 0.68 -4.99 115.29 121.01 1x4d s HIS 87 Ca -0.08 -1.35 0.02 0.00 -0.15 0.00 0.00 55.06 53.50 1x4d s HIS 87 Cb -0.11 -0.60 0.23 0.00 1.11 0.00 0.00 32.58 33.20 1x4d s HIS 87 CO -0.00 -0.59 0.79 -0.11 -0.85 0.00 0.00 174.74 173.97 1x4d n LEU 88 N -0.29 4.07 0.00 0.89 -0.00 -1.26 -0.76 117.00 119.65 1x4d n LEU 88 Ca 0.01 -5.24 -0.17 0.00 -0.00 0.00 0.00 56.01 50.61 1x4d n LEU 88 Cb 0.66 -0.93 0.13 0.00 -0.00 0.00 0.00 43.42 43.28 1x4d n LEU 88 CO 0.33 1.75 0.43 -1.20 -0.00 0.00 0.00 177.39 178.70 1x4d n SER 89 N 1.75 -0.82 -2.92 1.96 7.64 0.21 -4.89 113.62 116.55 1x4d n SER 89 Ca 0.24 -1.07 -0.13 0.00 1.01 0.00 0.00 58.87 58.91 1x4d n SER 89 Cb 0.37 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1x4d n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x4d n GLN 90 N -3.05 0.70 -3.98 1.43 0.00 -1.26 -3.20 117.38 108.03 1x4d n GLN 90 Ca 0.09 -2.29 -0.20 0.00 0.00 0.00 0.00 57.00 54.61 1x4d n GLN 90 Cb 0.34 -1.40 -0.06 0.00 0.00 0.00 0.00 30.24 29.11 1x4d n GLN 90 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1x4d n LYS 91 N 1.78 0.52 -2.87 2.61 2.85 -1.26 -4.99 118.16 116.80 1x4d n LYS 91 Ca 0.15 -2.88 -0.05 0.00 -1.05 0.00 0.00 58.31 54.48 1x4d n LYS 91 Cb 0.58 1.85 0.01 0.00 -0.65 0.00 0.00 35.03 36.82 1x4d n LYS 91 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1x4d n TYR 92 N -0.69 -3.14 -0.30 5.58 4.01 -1.26 -4.85 117.16 116.51 1x4d n TYR 92 Ca -0.01 1.24 -0.06 0.00 -0.16 0.00 0.00 57.90 58.91 1x4d n TYR 92 Cb 0.52 -3.98 -0.05 0.00 -0.31 0.00 0.00 39.34 35.52 1x4d n TYR 92 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1x4d n LYS 93 N -0.89 -0.28 -3.40 -0.72 5.02 -1.26 -3.41 118.16 113.23 1x4d n LYS 93 Ca 0.07 1.10 -0.27 0.00 -2.02 0.00 0.00 58.31 57.18 1x4d n LYS 93 Cb 0.46 -1.62 -0.10 0.00 -0.02 0.00 0.00 35.03 33.75 1x4d n LYS 93 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1x4d s ARG 94 N -5.45 0.82 0.34 1.97 3.00 -1.26 -4.98 118.95 113.39 1x4d s ARG 94 Ca -0.09 -1.91 0.24 0.00 0.00 0.00 0.00 55.73 53.97 1x4d s ARG 94 Cb 0.10 -1.36 1.17 0.00 0.00 0.00 0.00 34.95 34.86 1x4d s ARG 94 CO 0.47 -1.35 1.25 -0.89 0.00 0.00 0.00 175.30 174.78 1x4d n ILE 95 N 3.12 -0.23 -3.81 1.52 5.41 -1.22 -4.34 119.36 119.82 1x4d n ILE 95 Ca 0.26 1.49 -0.12 0.00 1.00 0.00 0.00 62.75 65.37 1x4d n ILE 95 Cb 0.46 -2.43 -0.10 0.00 -0.71 0.00 0.00 39.64 36.86 1x4d n ILE 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1x4d s LYS 96 N -4.99 0.52 0.42 0.38 1.02 -1.26 -5.07 119.74 110.77 1x4d s LYS 96 Ca -0.06 -0.16 0.07 0.00 0.02 0.00 0.00 55.97 55.84 1x4d s LYS 96 Cb 0.25 0.23 -0.06 0.00 -0.52 0.00 0.00 37.83 37.73 1x4d s LYS 96 CO 0.65 -0.13 0.09 0.45 -0.92 0.00 0.00 175.35 175.49 1x4d s SER 97 N -1.05 4.14 0.70 2.83 0.15 -1.26 -5.08 113.70 114.12 1x4d s SER 97 Ca -0.11 -1.26 -0.08 0.00 0.70 0.00 0.00 55.95 55.20 1x4d s SER 97 Cb -0.05 -0.37 0.05 0.00 -1.71 0.00 0.00 66.02 63.93 1x4d s SER 97 CO 0.02 -0.53 1.04 -0.83 1.20 0.00 0.00 173.24 174.14 1x4d s GLY 98 N -3.81 1.64 0.00 9.45 0.00 -1.26 -4.95 107.32 108.39 1x4d s GLY 98 Ca 0.36 -0.73 0.15 0.00 0.00 0.00 0.00 44.72 44.50 1x4d s GLY 98 CO 0.19 -0.34 1.41 -1.55 0.00 0.00 0.00 173.10 172.81 1x4d n PRO 99 N -2.94 0.23 -2.32 2.90 -0.04 -1.26 -4.60 135.00 126.98 1x4d n PRO 99 Ca 0.07 0.13 -0.38 0.00 -0.04 0.00 0.00 63.50 63.29 1x4d n PRO 99 Cb 0.59 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 1x4d n PRO 99 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x4d s SER 100 N -2.52 5.80 0.00 3.54 1.04 -1.26 -4.71 113.70 115.59 1x4d s SER 100 Ca 0.15 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1x4d s SER 100 Cb 0.10 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1x4d s SER 100 CO 0.22 -2.08 0.00 -0.24 0.98 0.00 0.00 173.24 172.12 1x4d n SER 101 N 11.06 0.00 -0.25 7.02 2.88 -1.26 -5.18 113.62 127.89 1x4d n SER 101 Ca 0.22 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.91 1x4d n SER 101 Cb 0.50 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.69 1x4d n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42