#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 0.00 -4.34 1.61 2.88 -1.26 -4.76 113.62 107.74 1x4d n SER 2 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1x4d n SER 2 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 1x4d n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4d s SER 3 N 0.00 3.07 0.20 -3.46 1.04 -1.26 -5.15 113.70 108.15 1x4d s SER 3 Ca 0.00 -0.65 -0.03 0.00 0.48 0.00 0.00 55.95 55.75 1x4d s SER 3 Cb 0.00 -0.24 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 1x4d s SER 3 CO 0.00 0.19 0.18 -0.83 0.98 0.00 0.00 173.24 173.77 1x4d s GLY 4 N -1.62 1.27 0.00 7.32 0.00 -1.26 -5.15 107.32 107.88 1x4d s GLY 4 Ca 0.12 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.28 1x4d s GLY 4 CO 0.04 -1.27 0.00 -1.26 0.00 0.00 0.00 173.10 170.61 1x4d n SER 5 N -0.28 0.00 -3.81 1.64 2.88 -1.26 -5.18 113.62 107.61 1x4d n SER 5 Ca 0.01 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.47 1x4d n SER 5 Cb 0.65 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.08 1x4d n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4d s SER 6 N 0.00 -0.26 0.19 -3.46 0.01 -1.26 -5.19 113.70 103.73 1x4d s SER 6 Ca 0.00 -0.58 -0.12 0.00 1.31 0.00 0.00 55.95 56.56 1x4d s SER 6 Cb 0.00 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.89 1x4d s SER 6 CO 0.00 -1.20 0.39 -0.83 0.41 0.00 0.00 173.24 172.01 1x4d s GLY 7 N -2.91 0.36 -0.09 3.44 0.00 -1.26 -5.18 107.32 101.68 1x4d s GLY 7 Ca 0.12 -0.72 -0.30 0.00 0.00 0.00 0.00 44.72 43.81 1x4d s GLY 7 CO 0.03 -0.64 0.75 1.20 0.00 0.00 0.00 173.10 174.44 1x4d s GLN 8 N -3.96 0.95 -0.24 2.90 1.11 -1.26 -5.15 119.66 114.01 1x4d s GLN 8 Ca 0.17 0.30 0.02 0.00 0.01 0.00 0.00 55.36 55.86 1x4d s GLN 8 Cb 0.01 0.45 0.05 0.00 -1.01 0.00 0.00 33.01 32.51 1x4d s GLN 8 CO 0.02 -0.28 -0.13 -1.59 0.01 0.00 0.00 175.29 173.32 1x4d s LYS 9 N -1.03 2.45 3.57 2.91 0.00 -1.26 -5.05 119.74 121.33 1x4d s LYS 9 Ca -0.08 -1.21 0.00 0.00 0.00 0.00 0.00 55.97 54.68 1x4d s LYS 9 Cb -0.01 -2.82 0.00 0.00 0.00 0.00 0.00 37.83 35.01 1x4d s LYS 9 CO 0.07 -0.48 0.00 0.41 0.00 0.00 0.00 175.35 175.36 1x4d n GLY 10 N 4.49 0.35 3.12 0.59 0.00 -1.26 -4.91 105.19 107.56 1x4d n GLY 10 Ca -0.16 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 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 0.68 -0.18 1.61 3.52 -1.26 -5.17 118.95 118.16 1x4d s ARG 11 Ca 0.00 -1.21 -0.11 0.00 -0.13 0.00 0.00 55.73 54.28 1x4d s ARG 11 Cb 0.00 0.23 0.06 0.00 -1.56 0.00 0.00 34.95 33.68 1x4d s ARG 11 CO 0.00 -0.15 0.44 0.14 -0.81 0.00 0.00 175.30 174.91 1x4d s VAL 12 N -3.93 -0.02 -0.84 7.11 -7.23 -1.26 -5.10 120.40 109.12 1x4d s VAL 12 Ca 0.09 0.07 -0.20 0.00 -1.81 0.00 0.00 61.98 60.13 1x4d s VAL 12 Cb 0.07 -0.64 0.11 0.00 0.56 0.00 0.00 36.38 36.48 1x4d s VAL 12 CO -0.09 0.03 1.08 -0.70 -0.31 0.00 0.00 175.10 175.11 1x4d s GLU 13 N 1.21 3.44 0.39 4.82 2.12 -1.26 -4.98 118.70 124.44 1x4d s GLU 13 Ca -0.08 -1.44 0.03 0.00 0.36 0.00 0.00 54.97 53.83 1x4d s GLU 13 Cb -0.07 -4.72 -0.01 0.00 0.26 0.00 0.00 34.13 29.59 1x4d s GLU 13 CO -0.11 -1.80 0.09 0.25 -0.54 0.00 0.00 175.26 173.15 1x4d n THR 14 N 5.70 0.00 -1.14 -1.70 -2.24 -1.26 -5.10 114.28 108.53 1x4d n THR 14 Ca 0.15 -2.13 -0.38 0.00 -2.27 0.00 0.00 64.05 59.42 1x4d n THR 14 Cb 0.48 0.67 0.02 0.00 -2.10 0.00 0.00 70.33 69.40 1x4d n THR 14 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1x4d n ARG 15 N -0.91 0.00 -3.69 -0.78 3.00 -1.26 -4.57 116.66 108.45 1x4d n ARG 15 Ca -0.09 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.37 1x4d n ARG 15 Cb 0.56 -1.00 -0.11 0.00 0.00 0.00 0.00 32.46 31.90 1x4d n ARG 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1x4d s ARG 16 N -1.44 2.50 -0.29 -0.14 3.00 -1.26 -4.82 118.95 116.49 1x4d s ARG 16 Ca 0.50 -1.43 -0.03 0.00 0.00 0.00 0.00 55.73 54.77 1x4d s ARG 16 Cb -0.36 -3.62 0.11 0.00 0.00 0.00 0.00 34.95 31.08 1x4d s ARG 16 CO 0.73 -0.87 0.16 0.08 0.00 0.00 0.00 175.30 175.40 1x4d s VAL 17 N 1.36 -0.13 -0.41 3.52 1.01 -1.24 -3.42 120.40 121.10 1x4d s VAL 17 Ca 0.02 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 1x4d s VAL 17 Cb -0.22 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1x4d s VAL 17 CO 0.01 -0.69 0.63 0.54 0.00 0.00 0.00 175.10 175.59 1x4d s VAL 18 N 2.14 4.86 -0.02 2.92 0.11 -0.59 0.10 120.40 129.92 1x4d s VAL 18 Ca 0.09 0.24 -0.22 0.00 -2.93 0.00 0.00 61.98 59.17 1x4d s VAL 18 Cb -0.16 -4.15 -0.05 0.00 -1.53 0.00 0.00 36.38 30.50 1x4d s VAL 18 CO -0.36 -0.49 0.64 -2.28 -3.33 0.00 0.00 175.10 169.28 1x4d s HIS 19 N 2.74 3.65 -0.06 1.54 2.46 0.08 -1.57 115.29 124.13 1x4d s HIS 19 Ca 0.23 1.23 0.03 0.00 0.47 0.00 0.00 55.06 57.01 1x4d s HIS 19 Cb -0.14 -2.69 0.01 0.00 -0.13 0.00 0.00 32.58 29.63 1x4d s HIS 19 CO 0.17 0.25 -0.13 0.42 -2.47 0.00 0.00 174.74 172.98 1x4d s ILE 20 N 0.17 1.17 0.40 0.89 1.01 -0.33 -0.85 121.20 123.65 1x4d s ILE 20 Ca 0.34 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.51 1x4d s ILE 20 Cb -0.18 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 1x4d s ILE 20 CO 0.18 0.36 0.15 0.23 0.00 0.00 0.00 174.94 175.85 1x4d n MET 21 N 3.62 0.58 -1.14 2.79 2.81 -1.07 -2.06 117.12 122.65 1x4d n MET 21 Ca -0.21 -3.37 -0.05 0.00 -1.81 0.00 0.00 57.70 52.26 1x4d n MET 21 Cb 0.52 1.87 -0.02 0.00 -0.71 0.00 0.00 33.22 34.88 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 -1.54 -5.58 -4.88 7.83 9.92 -1.24 -2.16 116.55 118.89 1x4d n ASP 22 Ca -0.05 0.12 -0.35 0.00 -0.53 0.00 0.00 54.79 53.98 1x4d n ASP 22 Cb 0.60 -3.51 -0.05 0.00 -0.64 0.00 0.00 41.12 37.52 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 -1.51 3.59 0.26 1.24 -0.12 -1.26 -4.63 117.98 115.56 1x4d s PHE 23 Ca 0.00 0.56 0.04 0.00 -0.05 0.00 0.00 56.93 57.49 1x4d s PHE 23 Cb 0.00 -1.98 0.04 0.00 -0.63 0.00 0.00 43.02 40.46 1x4d s PHE 23 CO 0.00 0.66 0.36 1.04 -0.05 0.00 0.00 175.22 177.23 1x4d n GLN 24 N 1.39 0.79 -4.29 1.99 1.13 -1.26 -4.64 117.38 112.49 1x4d n GLN 24 Ca -0.14 -1.39 -0.17 0.00 -1.94 0.00 0.00 57.00 53.36 1x4d n GLN 24 Cb 0.53 -0.12 -0.09 0.00 0.11 0.00 0.00 30.24 30.67 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 -3.20 1.51 0.00 -1.09 0.52 -1.26 -4.98 118.95 110.45 1x4d s ARG 25 Ca 0.27 -1.85 0.00 0.00 -0.52 0.00 0.00 55.73 53.64 1x4d s ARG 25 Cb -0.02 0.04 0.00 0.00 0.52 0.00 0.00 34.95 35.48 1x4d s ARG 25 CO 0.17 -0.45 0.00 0.41 0.02 0.00 0.00 175.30 175.45 1x4d n GLY 26 N -0.51 -1.38 3.12 -3.53 0.00 -1.26 -5.02 105.19 96.62 1x4d n GLY 26 Ca 0.02 0.53 -0.33 0.00 0.00 0.00 0.00 46.02 46.24 1x4d n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4d s LYS 27 N 0.00 2.92 -1.44 1.61 -2.85 -1.26 -4.64 119.74 114.08 1x4d s LYS 27 Ca 0.00 -0.81 0.00 0.00 -1.00 0.00 0.00 55.97 54.16 1x4d s LYS 27 Cb 0.00 -2.48 0.00 0.00 -2.06 0.00 0.00 37.83 33.29 1x4d s LYS 27 CO 0.00 -0.16 0.00 0.09 0.10 0.00 0.00 175.35 175.38 1x4d n ASN 28 N 4.48 -4.70 0.09 0.03 4.13 -1.26 -4.91 115.26 113.12 1x4d n ASN 28 Ca -0.20 0.16 -0.13 0.00 1.68 0.00 0.00 54.58 56.08 1x4d n ASN 28 Cb 0.50 -3.71 -0.06 0.00 -1.54 0.00 0.00 39.78 34.97 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 0.00 -1.14 -1.76 3.41 7.12 -1.94 -0.06 115.31 120.93 1x4d h LEU 29 Ca -0.34 0.13 0.40 0.00 0.13 0.00 0.00 57.88 58.20 1x4d h LEU 29 Cb 1.15 0.44 -0.08 0.00 -0.53 0.00 0.00 40.66 41.64 1x4d h LEU 29 CO 0.44 -0.45 0.94 -0.09 -0.13 0.00 0.00 178.44 179.15 1x4d h ARG 30 N -0.58 0.09 0.07 1.25 2.43 -1.95 0.64 114.38 116.32 1x4d h ARG 30 Ca 0.04 -0.01 -0.28 0.00 -0.81 0.00 0.00 59.98 58.92 1x4d h ARG 30 Cb 0.64 -0.02 0.03 0.00 -0.42 0.00 0.00 29.97 30.19 1x4d h ARG 30 CO -0.26 0.06 -1.14 -0.92 -1.51 0.00 0.00 179.97 176.19 1x4d h TYR 31 N 0.09 1.02 -0.90 2.20 3.20 -1.44 -2.13 116.97 119.01 1x4d h TYR 31 Ca 0.70 -0.61 0.07 0.00 3.14 0.00 0.00 58.73 62.03 1x4d h TYR 31 Cb 2.51 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 40.62 1x4d h TYR 31 CO -0.00 1.44 0.57 1.96 -1.64 0.00 0.00 178.16 180.49 1x4d h GLN 32 N 0.32 0.99 0.03 1.82 1.08 0.14 0.18 115.11 119.67 1x4d h GLN 32 Ca -0.16 -0.06 -0.22 0.00 -1.45 0.00 0.00 58.65 56.75 1x4d h GLN 32 Cb 1.81 -0.22 0.02 0.00 -0.05 0.00 0.00 27.48 29.04 1x4d h GLN 32 CO 0.22 0.66 -0.90 -0.07 -0.95 0.00 0.00 178.83 177.79 1x4d h LEU 33 N 1.02 0.74 -1.96 1.46 3.38 -1.44 -3.20 115.31 115.30 1x4d h LEU 33 Ca 0.40 -0.77 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1x4d h LEU 33 Cb 0.19 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1x4d h LEU 33 CO -0.18 1.42 -0.11 -0.07 0.09 0.00 0.00 178.44 179.60 1x4d h LEU 34 N 0.14 0.00 -0.31 1.67 3.38 -0.96 -1.17 115.31 118.06 1x4d h LEU 34 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1x4d h LEU 34 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1x4d h LEU 34 CO 0.17 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.81 1x4d n GLN 35 N -3.68 0.09 0.08 1.13 1.13 0.61 0.72 117.38 117.46 1x4d n GLN 35 Ca -0.02 0.32 0.12 0.00 -1.94 0.00 0.00 57.00 55.49 1x4d n GLN 35 Cb 0.22 -1.67 0.27 0.00 0.11 0.00 0.00 30.24 29.17 1x4d n GLN 35 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1x4d n LEU 36 N -1.84 0.77 0.00 1.08 4.77 -0.44 -4.08 117.00 117.26 1x4d n LEU 36 Ca 0.03 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1x4d n LEU 36 Cb 0.20 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1x4d n LEU 36 CO 0.17 -0.12 -0.38 1.33 -1.33 0.00 0.00 177.39 177.06 1x4d n VAL 37 N -2.20 0.00 0.07 4.08 0.24 -0.83 -4.72 118.33 114.97 1x4d n VAL 37 Ca 0.04 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.19 1x4d n VAL 37 Cb 0.44 0.37 -0.09 0.00 -1.47 0.00 0.00 33.84 33.09 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 -0.64 0.00 7.34 4.39 0.15 0.19 114.58 126.01 1x4d h GLU 38 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1x4d h GLU 38 Cb 0.01 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1x4d h GLU 38 CO 0.00 -0.43 0.00 -0.35 -1.16 0.00 0.00 179.01 177.07 1x4d n PRO 39 N -5.26 0.49 -0.00 2.33 -0.04 -1.26 -1.91 135.00 129.33 1x4d n PRO 39 Ca -0.07 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.45 1x4d n PRO 39 Cb 0.38 -1.40 -0.09 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.31 0.54 3.01 0.27 -5.09 117.46 114.99 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 1.62 -0.74 3.74 1.37 0.00 0.39 -4.47 105.19 107.11 1x4d n GLY 41 Ca -0.01 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.90 4.31 -0.50 1.61 0.11 -1.26 -4.52 120.40 116.25 1x4d s VAL 42 Ca 0.00 -0.91 -0.20 0.00 -2.93 0.00 0.00 61.98 57.93 1x4d s VAL 42 Cb 0.00 -3.09 0.05 0.00 -1.53 0.00 0.00 36.38 31.81 1x4d s VAL 42 CO 0.00 0.08 0.69 -0.63 -3.33 0.00 0.00 175.10 171.91 1x4d s ILE 43 N -1.42 4.77 -0.15 7.04 -1.09 -1.26 -3.33 121.20 125.76 1x4d s ILE 43 Ca 0.28 -0.19 -0.24 0.00 -2.23 0.00 0.00 60.65 58.26 1x4d s ILE 43 Cb -0.12 -4.32 -0.25 0.00 -1.58 0.00 0.00 42.46 36.19 1x4d s ILE 43 CO 0.21 -0.82 0.60 0.28 -1.23 0.00 0.00 174.94 173.98 1x4d h SER 44 N 9.03 0.10 -1.94 3.58 0.02 -1.57 -3.47 113.55 119.30 1x4d h SER 44 Ca -0.27 -0.84 0.17 0.00 -0.84 0.00 0.00 61.79 60.02 1x4d h SER 44 Cb 1.09 -0.03 -0.29 0.00 0.14 0.00 0.00 62.40 63.31 1x4d h SER 44 CO 0.97 1.26 0.52 0.20 -1.14 0.00 0.00 176.83 178.64 1x4d s ASN 45 N -6.59 -0.30 0.34 3.07 0.01 -0.87 -5.02 114.94 105.59 1x4d s ASN 45 Ca -0.21 0.47 0.09 0.00 -0.71 0.00 0.00 52.86 52.49 1x4d s ASN 45 Cb 0.01 1.18 -0.05 0.00 0.41 0.00 0.00 41.25 42.80 1x4d s ASN 45 CO 0.69 -0.07 0.08 -1.38 -1.51 0.00 0.00 177.10 174.90 1x4d s HIS 46 N 1.42 2.62 -0.09 2.20 -3.43 -1.26 0.51 115.29 117.27 1x4d s HIS 46 Ca -0.07 -0.42 -0.04 0.00 -0.80 0.00 0.00 55.06 53.73 1x4d s HIS 46 Cb -0.03 -1.58 0.04 0.00 -1.43 0.00 0.00 32.58 29.59 1x4d s HIS 46 CO -0.13 0.41 0.19 -1.17 -2.00 0.00 0.00 174.74 172.03 1x4d s LEU 47 N -3.78 0.48 -0.28 5.38 0.20 -0.02 -4.70 118.68 115.95 1x4d s LEU 47 Ca 0.36 0.40 -0.00 0.00 0.69 0.00 0.00 54.13 55.58 1x4d s LEU 47 Cb -0.01 0.51 0.09 0.00 -0.43 0.00 0.00 46.19 46.34 1x4d s LEU 47 CO 0.21 -0.17 0.06 -0.63 -0.29 0.00 0.00 176.35 175.53 1x4d s ILE 48 N 1.38 1.07 0.33 6.68 1.01 -1.26 -1.37 121.20 129.04 1x4d s ILE 48 Ca -0.08 -1.33 -0.29 0.00 0.00 0.00 0.00 60.65 58.96 1x4d s ILE 48 Cb -0.11 -1.69 -0.11 0.00 0.01 0.00 0.00 42.46 40.56 1x4d s ILE 48 CO -0.07 -0.49 1.40 -0.76 0.00 0.00 0.00 174.94 175.02 1x4d s LEU 49 N 1.55 4.38 -0.54 2.97 1.43 -1.18 -4.91 118.68 122.37 1x4d s LEU 49 Ca 0.05 2.81 -0.01 0.00 -1.03 0.00 0.00 54.13 55.95 1x4d s LEU 49 Cb -0.18 -3.65 0.40 0.00 0.03 0.00 0.00 46.19 42.79 1x4d s LEU 49 CO -0.17 -0.69 2.00 0.59 0.23 0.00 0.00 176.35 178.31 1x4d n ASN 50 N 1.04 6.92 0.00 2.29 4.13 -1.26 -4.17 115.26 124.21 1x4d n ASN 50 Ca 0.02 -3.54 0.00 0.00 1.68 0.00 0.00 54.58 52.74 1x4d n ASN 50 Cb 0.40 -0.98 0.00 0.00 -1.54 0.00 0.00 39.78 37.67 1x4d n ASN 50 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1x4d n LYS 51 N -0.57 0.00 -2.45 3.52 4.76 -1.26 -5.13 118.16 117.03 1x4d n LYS 51 Ca 0.53 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.92 1x4d n LYS 51 Cb 0.73 -0.69 -0.01 0.00 -1.84 0.00 0.00 35.03 33.21 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 -2.24 0.00 -1.63 -0.18 -0.00 -1.26 -5.05 119.36 109.00 1x4d n ILE 52 Ca 0.00 -0.48 -0.31 0.00 -0.00 0.00 0.00 62.75 61.96 1x4d n ILE 52 Cb 0.30 0.22 -0.03 0.00 -0.00 0.00 0.00 39.64 40.13 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 -2.51 6.81 -4.19 7.28 3.02 -1.26 -4.75 115.26 119.67 1x4d n ASN 53 Ca 0.01 -3.40 -0.32 0.00 -0.03 0.00 0.00 54.58 50.83 1x4d n ASN 53 Cb 0.12 -1.18 -0.17 0.00 -0.61 0.00 0.00 39.78 37.94 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 -2.45 3.04 0.08 3.52 2.02 -1.26 -3.72 118.70 119.92 1x4d s GLU 54 Ca 0.57 -0.86 -0.01 0.00 0.02 0.00 0.00 54.97 54.70 1x4d s GLU 54 Cb 0.40 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 1x4d s GLU 54 CO -0.28 0.03 -0.01 0.00 0.02 0.00 0.00 175.26 175.02 1x4d s ALA 55 N 0.70 0.67 -0.13 5.21 0.00 -0.87 -3.11 121.76 124.22 1x4d s ALA 55 Ca -0.10 -1.30 -0.05 0.00 0.00 0.00 0.00 51.96 50.51 1x4d s ALA 55 Cb -0.16 0.43 0.06 0.00 0.00 0.00 0.00 23.12 23.45 1x4d s ALA 55 CO 0.01 -0.39 0.27 -0.06 0.00 0.00 0.00 175.76 175.58 1x4d s PHE 56 N -3.92 -0.42 -0.20 0.00 0.40 -0.47 -1.19 117.98 112.17 1x4d s PHE 56 Ca 0.12 0.97 -0.08 0.00 -0.60 0.00 0.00 56.93 57.35 1x4d s PHE 56 Cb 0.08 -0.02 -0.04 0.00 0.51 0.00 0.00 43.02 43.55 1x4d s PHE 56 CO -0.06 -0.35 0.07 0.42 0.70 0.00 0.00 175.22 176.00 1x4d s ILE 57 N 2.31 4.71 -0.24 0.64 1.01 -0.61 -0.84 121.20 128.17 1x4d s ILE 57 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.49 1x4d s ILE 57 Cb -0.12 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 1x4d s ILE 57 CO -0.09 0.43 0.17 -0.70 0.00 0.00 0.00 174.94 174.75 1x4d s GLU 58 N 0.68 4.06 0.18 2.79 2.12 0.18 -1.55 118.70 127.16 1x4d s GLU 58 Ca 0.04 -0.26 -0.02 0.00 0.36 0.00 0.00 54.97 55.08 1x4d s GLU 58 Cb -0.13 -3.56 -0.05 0.00 0.26 0.00 0.00 34.13 30.66 1x4d s GLU 58 CO 0.02 0.03 0.38 -1.64 -0.54 0.00 0.00 175.26 173.51 1x4d s MET 59 N 1.16 3.55 0.49 4.30 -1.94 -1.22 -1.52 119.30 124.12 1x4d s MET 59 Ca 0.08 -0.25 0.22 0.00 -1.71 0.00 0.00 55.69 54.03 1x4d s MET 59 Cb -0.14 -2.84 1.26 0.00 2.01 0.00 0.00 34.83 35.12 1x4d s MET 59 CO 0.05 0.42 2.03 0.00 -0.01 0.00 0.00 175.02 177.52 1x4d h ALA 60 N 2.31 1.41 -3.43 3.03 0.00 -1.90 -3.42 119.26 117.26 1x4d h ALA 60 Ca -0.47 -0.14 -0.31 0.00 0.00 0.00 0.00 54.91 53.98 1x4d h ALA 60 Cb 1.18 -0.03 -0.35 0.00 0.00 0.00 0.00 17.79 18.59 1x4d h ALA 60 CO 0.70 0.20 -0.72 0.95 0.00 0.00 0.00 179.25 180.37 1x4d s THR 61 N -4.33 -0.08 0.56 0.00 -4.23 -1.26 -5.01 115.64 101.29 1x4d s THR 61 Ca -0.03 0.28 0.38 0.00 -1.18 0.00 0.00 61.69 61.14 1x4d s THR 61 Cb 0.14 -0.12 0.57 0.00 1.34 0.00 0.00 72.50 74.43 1x4d s THR 61 CO 0.63 0.11 1.72 0.00 -0.54 0.00 0.00 174.62 176.54 1x4d h THR 62 N 6.32 0.28 -0.80 3.99 1.03 -1.81 0.26 112.91 122.18 1x4d h THR 62 Ca -0.36 0.00 0.13 0.00 -0.01 0.00 0.00 66.41 66.17 1x4d h THR 62 Cb 1.12 0.31 -0.09 0.00 -1.07 0.00 0.00 68.15 68.42 1x4d h THR 62 CO 0.38 0.00 0.40 -0.33 -0.01 0.00 0.00 175.52 175.96 1x4d h GLU 63 N 0.00 0.60 0.33 0.00 5.08 -1.95 0.10 114.58 118.74 1x4d h GLU 63 Ca 0.61 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.91 1x4d h GLU 63 Cb 2.55 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.67 1x4d h GLU 63 CO -0.01 0.39 -0.16 -0.44 -1.00 0.00 0.00 179.01 177.80 1x4d h ASP 64 N 0.61 -0.37 -0.74 1.42 3.32 -0.69 -2.15 116.42 117.82 1x4d h ASP 64 Ca 0.42 0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.63 1x4d h ASP 64 Cb 0.55 0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.05 1x4d h ASP 64 CO -0.33 -0.18 -0.22 0.00 -1.72 0.00 0.00 179.24 176.79 1x4d h ALA 65 N -1.62 0.40 -0.95 3.45 0.00 -1.56 0.48 119.26 119.46 1x4d h ALA 65 Ca -0.04 0.27 0.08 0.00 0.00 0.00 0.00 54.91 55.22 1x4d h ALA 65 Cb 0.33 0.63 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 1x4d h ALA 65 CO 0.07 -0.46 0.61 1.96 0.00 0.00 0.00 179.25 181.43 1x4d h GLN 66 N -0.03 1.00 -0.26 0.00 4.20 -0.86 -2.05 115.11 117.11 1x4d h GLN 66 Ca 0.34 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.89 1x4d h GLN 66 Cb 0.56 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1x4d h GLN 66 CO -0.77 0.66 -0.23 0.00 -0.67 0.00 0.00 178.83 177.82 1x4d h ALA 67 N 1.51 0.38 -0.46 3.87 0.00 0.50 -2.93 119.26 122.14 1x4d h ALA 67 Ca 0.43 -0.37 0.13 0.00 0.00 0.00 0.00 54.91 55.10 1x4d h ALA 67 Cb 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1x4d h ALA 67 CO -0.18 0.34 0.34 0.00 0.00 0.00 0.00 179.25 179.75 1x4d h ALA 68 N 0.70 2.39 -0.02 0.00 0.00 0.00 -1.03 119.26 121.31 1x4d h ALA 68 Ca 0.05 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 1x4d h ALA 68 Cb 0.78 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.62 1x4d h ALA 68 CO 0.06 -0.58 -0.82 0.28 0.00 0.00 0.00 179.25 178.19 1x4d h VAL 69 N 0.00 1.34 0.00 0.00 2.07 -1.29 -3.10 116.25 115.28 1x4d h VAL 69 Ca 0.22 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.60 1x4d h VAL 69 Cb 0.90 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1x4d h VAL 69 CO -0.00 0.65 0.00 -0.67 0.02 0.00 0.00 177.57 177.56 1x4d n ASP 70 N -4.02 0.58 0.10 0.57 2.03 -0.41 -0.73 116.55 114.67 1x4d n ASP 70 Ca -0.10 0.76 0.04 0.00 0.52 0.00 0.00 54.79 56.01 1x4d n ASP 70 Cb 0.78 -0.84 -0.00 0.00 -0.72 0.00 0.00 41.12 40.34 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 -1.42 -3.12 116.97 114.96 1x4d h TYR 71 Ca 0.00 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 1x4d h TYR 71 Cb 0.04 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1x4d h TYR 71 CO 0.00 0.38 -0.57 -0.92 -1.64 0.00 0.00 178.16 175.41 1x4d h TYR 72 N 0.00 0.00 0.13 -3.82 3.20 -0.99 0.24 116.97 115.74 1x4d h TYR 72 Ca -0.06 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.51 1x4d h TYR 72 Cb 1.34 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.61 1x4d h TYR 72 CO 0.00 0.57 -1.42 0.00 -1.64 0.00 0.00 178.16 175.67 1x4d h THR 73 N 0.00 1.30 0.07 1.81 1.03 -1.61 -3.37 112.91 112.14 1x4d h THR 73 Ca -0.01 -2.90 -0.34 0.00 -0.01 0.00 0.00 66.41 63.16 1x4d h THR 73 Cb 1.43 2.85 -0.03 0.00 -1.07 0.00 0.00 68.15 71.33 1x4d h THR 73 CO 0.07 0.85 -1.91 0.35 -0.01 0.00 0.00 175.52 174.87 1x4d n THR 74 N -3.50 1.70 -5.01 0.00 -2.24 -1.18 -4.92 114.28 99.13 1x4d n THR 74 Ca -0.13 -0.71 -0.27 0.00 -2.27 0.00 0.00 64.05 60.66 1x4d n THR 74 Cb 1.04 -1.42 -0.16 0.00 -2.10 0.00 0.00 70.33 67.69 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 -2.57 1.63 -0.03 4.28 2.01 0.86 -5.09 115.64 116.72 1x4d s THR 75 Ca -0.15 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 60.67 1x4d s THR 75 Cb 0.07 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.17 1x4d s THR 75 CO 0.79 0.46 1.47 -2.16 -0.69 0.00 0.00 174.62 174.49 1x4d s PRO 76 N -0.39 4.24 -0.75 4.92 0.04 -1.26 -3.67 135.00 138.12 1x4d s PRO 76 Ca 0.06 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 62.88 1x4d s PRO 76 Cb -0.09 -3.72 0.07 0.00 0.04 0.00 0.00 34.50 30.80 1x4d s PRO 76 CO -0.00 -0.69 1.11 0.00 0.04 0.00 0.00 177.00 177.47 1x4d s ALA 77 N 3.05 3.01 -0.43 8.56 0.00 -1.26 -4.99 121.76 129.71 1x4d s ALA 77 Ca 0.66 -1.88 -0.16 0.00 0.00 0.00 0.00 51.96 50.57 1x4d s ALA 77 Cb -0.31 -4.05 0.03 0.00 0.00 0.00 0.00 23.12 18.78 1x4d s ALA 77 CO 0.26 -3.02 0.40 -0.51 0.00 0.00 0.00 175.76 172.89 1x4d s LEU 78 N 4.41 5.02 -0.26 0.00 1.43 -1.26 -1.62 118.68 126.40 1x4d s LEU 78 Ca 0.29 -0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 1x4d s LEU 78 Cb -0.11 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 1x4d s LEU 78 CO 0.07 -0.56 0.17 -0.69 0.23 0.00 0.00 176.35 175.57 1x4d s VAL 79 N 1.97 5.32 0.00 -1.59 1.01 0.31 -4.23 120.40 123.20 1x4d s VAL 79 Ca 0.09 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1x4d s VAL 79 Cb -0.18 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1x4d s VAL 79 CO 0.12 0.30 0.00 0.49 0.00 0.00 0.00 175.10 176.01 1x4d n PHE 80 N 4.62 0.00 0.00 5.22 3.72 -1.26 -1.45 117.46 128.31 1x4d n PHE 80 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1x4d n PHE 80 Cb 0.52 -1.13 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 -1.35 1.01 3.53 1.37 0.00 -1.26 -5.10 105.19 103.40 1x4d n GLY 81 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.32 1.94 0.50 1.61 0.00 -0.53 -5.01 119.74 117.93 1x4d s LYS 82 Ca 0.00 -1.21 -0.21 0.00 0.00 0.00 0.00 55.97 54.55 1x4d s LYS 82 Cb 0.00 -2.15 -0.07 0.00 0.00 0.00 0.00 37.83 35.61 1x4d s LYS 82 CO 0.00 0.46 1.15 -1.25 0.00 0.00 0.00 175.35 175.71 1x4d s PRO 83 N -2.47 3.59 0.22 1.78 0.04 -1.26 0.11 135.00 137.01 1x4d s PRO 83 Ca 0.22 1.70 0.05 0.00 0.04 0.00 0.00 61.00 63.00 1x4d s PRO 83 Cb -0.10 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 1x4d s PRO 83 CO 0.13 -0.68 0.19 1.33 0.04 0.00 0.00 177.00 178.01 1x4d n VAL 84 N -0.84 0.00 -4.66 -0.36 0.24 -0.64 -4.80 118.33 107.27 1x4d n VAL 84 Ca 0.09 -1.60 -0.31 0.00 -2.04 0.00 0.00 64.34 60.49 1x4d n VAL 84 Cb 0.49 0.80 -0.13 0.00 -1.47 0.00 0.00 33.84 33.54 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 -2.88 2.06 -0.11 7.34 0.52 -0.92 -4.16 118.95 120.79 1x4d s ARG 85 Ca 0.26 -0.99 -0.02 0.00 -0.52 0.00 0.00 55.73 54.46 1x4d s ARG 85 Cb 0.01 -2.18 0.04 0.00 0.52 0.00 0.00 34.95 33.34 1x4d s ARG 85 CO 0.19 0.54 0.03 0.08 0.02 0.00 0.00 175.30 176.16 1x4d s VAL 86 N -0.92 0.28 0.28 3.52 1.01 -1.26 -2.59 120.40 120.72 1x4d s VAL 86 Ca 0.15 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.13 1x4d s VAL 86 Cb -0.10 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.60 1x4d s VAL 86 CO 0.05 0.04 -0.06 -1.00 0.00 0.00 0.00 175.10 174.14 1x4d s HIS 87 N 1.99 1.98 -0.66 5.22 3.76 -0.03 -4.93 115.29 122.62 1x4d s HIS 87 Ca 0.03 -0.70 -0.02 0.00 -0.15 0.00 0.00 55.06 54.22 1x4d s HIS 87 Cb -0.14 -1.13 0.17 0.00 1.11 0.00 0.00 32.58 32.58 1x4d s HIS 87 CO -0.06 0.29 0.48 -1.17 -0.85 0.00 0.00 174.74 173.42 1x4d s LEU 88 N -3.45 5.20 1.06 0.89 1.98 -1.26 -0.74 118.68 122.35 1x4d s LEU 88 Ca 0.30 -3.03 -0.17 0.00 -2.89 0.00 0.00 54.13 48.34 1x4d s LEU 88 Cb 0.04 -1.84 0.23 0.00 0.66 0.00 0.00 46.19 45.28 1x4d s LEU 88 CO 0.12 -0.32 1.20 -0.55 -1.89 0.00 0.00 176.35 174.91 1x4d s SER 89 N 0.42 2.23 -0.38 3.68 0.15 0.28 -4.94 113.70 115.13 1x4d s SER 89 Ca 0.19 0.53 0.12 0.00 0.70 0.00 0.00 55.95 57.48 1x4d s SER 89 Cb -0.18 -0.73 0.39 0.00 -1.71 0.00 0.00 66.02 63.78 1x4d s SER 89 CO -0.05 -3.31 1.06 1.67 1.20 0.00 0.00 173.24 173.82 1x4d n GLN 90 N -4.19 1.10 -3.22 5.44 0.00 -1.26 -3.61 117.38 111.63 1x4d n GLN 90 Ca 0.13 -2.59 0.04 0.00 -0.00 0.00 0.00 57.00 54.58 1x4d n GLN 90 Cb 0.59 -0.95 -0.04 0.00 0.00 0.00 0.00 30.24 29.84 1x4d n GLN 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1x4d s LYS 91 N -1.30 0.01 0.00 3.69 0.00 -1.26 -4.96 119.74 115.92 1x4d s LYS 91 Ca 0.27 0.02 0.00 0.00 0.00 0.00 0.00 55.97 56.26 1x4d s LYS 91 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 37.83 38.23 1x4d s LYS 91 CO -0.04 -0.00 0.00 0.98 0.00 0.00 0.00 175.35 176.29 1x4d n TYR 92 N 4.32 0.00 -3.14 1.78 9.36 -1.26 -5.08 117.16 123.15 1x4d n TYR 92 Ca -0.08 0.00 -0.45 0.00 3.32 0.00 0.00 57.90 60.70 1x4d n TYR 92 Cb 0.56 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.26 1x4d n TYR 92 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1x4d s LYS 93 N 0.00 3.99 0.00 2.98 -0.14 -1.26 -4.17 119.74 121.14 1x4d s LYS 93 Ca 0.00 -2.67 0.00 0.00 -1.36 0.00 0.00 55.97 51.94 1x4d s LYS 93 Cb 0.00 -4.77 0.00 0.00 -1.68 0.00 0.00 37.83 31.38 1x4d s LYS 93 CO 0.00 -1.52 0.00 0.54 -0.76 0.00 0.00 175.35 173.61 1x4d n ARG 94 N 4.51 0.00 -1.39 1.68 1.74 -1.26 -5.08 116.66 116.86 1x4d n ARG 94 Ca 0.27 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 57.03 1x4d n ARG 94 Cb 0.43 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.71 1x4d n ARG 94 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1x4d n ILE 95 N -0.55 0.00 -2.08 0.55 5.41 -1.26 -3.27 119.36 118.16 1x4d n ILE 95 Ca 0.00 -0.14 -0.02 0.00 1.00 0.00 0.00 62.75 63.59 1x4d n ILE 95 Cb 0.00 -0.32 -0.02 0.00 -0.71 0.00 0.00 39.64 38.59 1x4d n ILE 95 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1x4d n LYS 96 N 6.99 -3.33 0.00 0.38 4.76 -1.26 -4.95 118.16 120.75 1x4d n LYS 96 Ca 0.62 2.62 0.00 0.00 -2.87 0.00 0.00 58.31 58.68 1x4d n LYS 96 Cb 0.06 -3.58 0.00 0.00 -1.84 0.00 0.00 35.03 29.67 1x4d n LYS 96 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x4d n SER 97 N 1.20 0.00 0.00 4.39 2.88 -1.20 -5.09 113.62 115.80 1x4d n SER 97 Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1x4d n SER 97 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1x4d n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4d n GLY 98 N 0.00 -1.61 3.55 0.46 0.00 -1.26 -5.11 105.19 101.23 1x4d n GLY 98 Ca 0.00 0.99 -0.36 0.00 0.00 0.00 0.00 46.02 46.65 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 0.00 2.61 -0.30 1.61 0.04 -1.26 -4.84 135.00 132.86 1x4d s PRO 99 Ca 0.00 0.40 -0.09 0.00 0.04 0.00 0.00 61.00 61.35 1x4d s PRO 99 Cb 0.00 -4.54 0.19 0.00 0.04 0.00 0.00 34.50 30.18 1x4d s PRO 99 CO 0.00 -2.88 0.98 -1.54 0.04 0.00 0.00 177.00 173.59 1x4d s SER 100 N 8.09 -0.60 0.09 6.66 1.04 -1.26 -5.17 113.70 122.55 1x4d s SER 100 Ca 0.68 0.14 -0.15 0.00 0.48 0.00 0.00 55.95 57.10 1x4d s SER 100 Cb -0.11 1.41 0.03 0.00 0.10 0.00 0.00 66.02 67.45 1x4d s SER 100 CO 0.16 -0.11 0.36 -0.55 0.98 0.00 0.00 173.24 174.07 1x4d s SER 101 N 2.94 -0.18 0.00 7.02 0.15 -1.26 -5.27 113.70 117.10 1x4d s SER 101 Ca 0.19 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1x4d s SER 101 Cb -0.05 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1x4d s SER 101 CO -0.20 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.08