#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4d s SER 2 N 0.00 -0.70 0.00 1.61 1.04 -1.26 -5.17 113.70 109.23 1x4d s SER 2 Ca 0.00 1.19 0.08 0.00 0.48 0.00 0.00 55.95 57.70 1x4d s SER 2 Cb 0.00 1.26 -0.02 0.00 0.10 0.00 0.00 66.02 67.36 1x4d s SER 2 CO 0.00 -0.19 -0.25 -0.55 0.98 0.00 0.00 173.24 173.22 1x4d s SER 3 N 1.07 3.16 0.25 7.02 0.15 -1.26 -5.14 113.70 118.95 1x4d s SER 3 Ca -0.06 -0.50 -0.02 0.00 0.70 0.00 0.00 55.95 56.07 1x4d s SER 3 Cb -0.05 -0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 63.88 1x4d s SER 3 CO -0.12 0.30 0.27 -0.83 1.20 0.00 0.00 173.24 174.05 1x4d s GLY 4 N -0.86 1.39 -0.30 9.45 0.00 -1.26 -5.15 107.32 110.60 1x4d s GLY 4 Ca 0.11 -1.56 -0.15 0.00 0.00 0.00 0.00 44.72 43.12 1x4d s GLY 4 CO 0.00 -1.20 1.14 -0.45 0.00 0.00 0.00 173.10 172.60 1x4d s SER 5 N -3.17 -0.17 0.00 1.64 0.15 -1.26 -5.18 113.70 105.71 1x4d s SER 5 Ca 0.35 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.03 1x4d s SER 5 Cb 0.04 1.11 0.00 0.00 -1.71 0.00 0.00 66.02 65.46 1x4d s SER 5 CO 0.15 -0.03 0.00 -1.20 1.20 0.00 0.00 173.24 173.36 1x4d n SER 6 N 5.11 0.00 -1.37 5.45 7.64 -1.26 -5.18 113.62 124.02 1x4d n SER 6 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1x4d n SER 6 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1x4d n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4d n GLY 7 N -0.38 1.03 3.62 0.23 0.00 -1.26 -5.15 105.19 103.29 1x4d n GLY 7 Ca 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 46.02 44.18 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 1.87 0.80 -0.54 1.61 -1.52 -1.26 -5.04 119.66 115.59 1x4d s GLN 8 Ca 0.00 -0.38 -0.02 0.00 -1.95 0.00 0.00 55.36 53.01 1x4d s GLN 8 Cb 0.00 0.31 0.32 0.00 -0.22 0.00 0.00 33.01 33.42 1x4d s GLN 8 CO 0.00 -0.36 2.10 1.63 -0.25 0.00 0.00 175.29 178.41 1x4d n LYS 9 N -0.34 2.35 -1.36 2.91 4.01 -1.26 -4.92 118.16 119.55 1x4d n LYS 9 Ca -0.06 -2.61 0.00 0.00 -0.51 0.00 0.00 58.31 55.12 1x4d n LYS 9 Cb 0.61 -2.03 0.00 0.00 -0.51 0.00 0.00 35.03 33.10 1x4d n LYS 9 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x4d n GLY 10 N -0.27 1.37 3.21 0.72 0.00 -1.26 -5.18 105.19 103.77 1x4d n GLY 10 Ca 0.49 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.91 0.93 -0.13 1.61 3.52 -1.26 -5.16 118.95 116.55 1x4d s ARG 11 Ca 0.00 -1.31 -0.07 0.00 -0.13 0.00 0.00 55.73 54.23 1x4d s ARG 11 Cb 0.00 -0.52 0.05 0.00 -1.56 0.00 0.00 34.95 32.92 1x4d s ARG 11 CO 0.00 0.06 0.31 0.14 -0.81 0.00 0.00 175.30 175.00 1x4d s VAL 12 N -2.99 -0.04 -0.68 7.11 -7.23 -1.26 -5.11 120.40 110.21 1x4d s VAL 12 Ca 0.11 0.13 -0.17 0.00 -1.81 0.00 0.00 61.98 60.24 1x4d s VAL 12 Cb 0.01 -0.47 0.15 0.00 0.56 0.00 0.00 36.38 36.62 1x4d s VAL 12 CO -0.01 0.05 0.71 -1.61 -0.31 0.00 0.00 175.10 173.94 1x4d s GLU 13 N 1.32 3.24 0.42 4.82 2.02 -1.26 -5.02 118.70 124.24 1x4d s GLU 13 Ca -0.09 -1.79 0.01 0.00 0.02 0.00 0.00 54.97 53.11 1x4d s GLU 13 Cb -0.10 -4.39 -0.00 0.00 0.10 0.00 0.00 34.13 29.74 1x4d s GLU 13 CO -0.10 -1.44 0.03 -2.37 0.02 0.00 0.00 175.26 171.40 1x4d n THR 14 N 5.02 0.00 -0.95 3.63 5.66 -1.26 -5.12 114.28 121.26 1x4d n THR 14 Ca -0.01 -2.10 -0.36 0.00 -3.05 0.00 0.00 64.05 58.53 1x4d n THR 14 Cb 0.44 0.50 0.06 0.00 -1.55 0.00 0.00 70.33 69.77 1x4d n THR 14 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1x4d n ARG 15 N -1.03 -0.12 -3.73 1.09 1.74 -1.26 -4.72 116.66 108.62 1x4d n ARG 15 Ca -0.15 -0.03 -0.38 0.00 -0.77 0.00 0.00 57.85 56.52 1x4d n ARG 15 Cb 0.56 -1.16 -0.12 0.00 -1.02 0.00 0.00 32.46 30.72 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 -2.31 2.44 -0.33 5.56 3.00 -1.26 -4.85 118.95 121.20 1x4d s ARG 16 Ca 0.42 -1.44 -0.01 0.00 0.00 0.00 0.00 55.73 54.71 1x4d s ARG 16 Cb -0.13 -3.55 0.13 0.00 0.00 0.00 0.00 34.95 31.40 1x4d s ARG 16 CO 0.77 -0.85 0.20 0.08 0.00 0.00 0.00 175.30 175.50 1x4d s VAL 17 N 1.33 -0.00 -0.58 3.52 1.01 -1.15 -3.38 120.40 121.14 1x4d s VAL 17 Ca 0.02 -1.27 -0.25 0.00 0.00 0.00 0.00 61.98 60.48 1x4d s VAL 17 Cb -0.22 -1.02 0.04 0.00 0.00 0.00 0.00 36.38 35.18 1x4d s VAL 17 CO 0.00 -0.84 1.01 0.54 0.00 0.00 0.00 175.10 175.81 1x4d s VAL 18 N 1.51 4.28 0.11 2.92 0.11 0.14 0.21 120.40 129.69 1x4d s VAL 18 Ca 0.14 0.30 -0.28 0.00 -2.93 0.00 0.00 61.98 59.22 1x4d s VAL 18 Cb -0.20 -4.61 -0.06 0.00 -1.53 0.00 0.00 36.38 29.98 1x4d s VAL 18 CO -0.14 -1.25 0.87 -2.28 -3.33 0.00 0.00 175.10 168.98 1x4d s HIS 19 N 4.24 3.82 -0.05 1.54 2.46 -0.21 -1.92 115.29 125.16 1x4d s HIS 19 Ca 0.32 1.69 0.02 0.00 0.47 0.00 0.00 55.06 57.55 1x4d s HIS 19 Cb -0.12 -2.93 0.01 0.00 -0.13 0.00 0.00 32.58 29.41 1x4d s HIS 19 CO 0.19 0.30 -0.09 0.42 -2.47 0.00 0.00 174.74 173.09 1x4d s ILE 20 N -0.32 0.89 0.37 0.89 1.01 0.14 -1.35 121.20 122.83 1x4d s ILE 20 Ca 0.42 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.75 1x4d s ILE 20 Cb -0.23 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 1x4d s ILE 20 CO 0.27 0.30 0.14 -0.04 0.00 0.00 0.00 174.94 175.61 1x4d s MET 21 N 0.63 1.80 -1.59 2.79 -1.94 -1.01 -1.94 119.30 118.04 1x4d s MET 21 Ca -0.11 -2.07 0.00 0.00 -1.71 0.00 0.00 55.69 51.80 1x4d s MET 21 Cb -0.14 -0.45 0.00 0.00 2.01 0.00 0.00 34.83 36.25 1x4d s MET 21 CO 0.02 -0.45 0.00 -0.25 -0.01 0.00 0.00 175.02 174.33 1x4d n ASP 22 N -1.15 -4.90 -4.70 3.03 8.00 -1.24 -1.97 116.55 113.61 1x4d n ASP 22 Ca -0.03 0.37 -0.35 0.00 0.71 0.00 0.00 54.79 55.49 1x4d n ASP 22 Cb 0.65 -3.72 -0.09 0.00 -0.02 0.00 0.00 41.12 37.94 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 -2.52 3.31 0.75 1.24 -0.12 -1.26 -4.58 117.98 114.79 1x4d s PHE 23 Ca 0.00 0.21 -0.02 0.00 -0.05 0.00 0.00 56.93 57.08 1x4d s PHE 23 Cb 0.00 -1.98 0.14 0.00 -0.63 0.00 0.00 43.02 40.55 1x4d s PHE 23 CO 0.00 0.37 1.03 -0.65 -0.05 0.00 0.00 175.22 175.92 1x4d s GLN 24 N -0.26 1.53 0.30 1.99 -1.52 -1.26 -4.67 119.66 115.77 1x4d s GLN 24 Ca 0.08 -1.13 0.07 0.00 -1.95 0.00 0.00 55.36 52.43 1x4d s GLN 24 Cb -0.12 -2.30 -0.06 0.00 -0.22 0.00 0.00 33.01 30.31 1x4d s GLN 24 CO 0.01 -1.57 -0.05 1.03 -0.25 0.00 0.00 175.29 174.46 1x4d s ARG 25 N -5.21 1.62 0.00 2.91 0.52 -1.26 -4.97 118.95 112.57 1x4d s ARG 25 Ca 0.68 -1.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.05 1x4d s ARG 25 Cb -0.05 -1.25 0.00 0.00 0.52 0.00 0.00 34.95 34.17 1x4d s ARG 25 CO 0.45 0.03 0.00 0.41 0.02 0.00 0.00 175.30 176.22 1x4d n GLY 26 N -0.65 -0.30 0.85 -3.53 0.00 -1.26 -5.02 105.19 95.29 1x4d n GLY 26 Ca -0.05 0.53 -0.02 0.00 0.00 0.00 0.00 46.02 46.49 1x4d n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x4d n LYS 27 N 0.00 0.10 -1.54 1.61 4.81 -1.26 -4.80 118.16 117.07 1x4d n LYS 27 Ca 0.00 0.04 -0.30 0.00 -0.87 0.00 0.00 58.31 57.18 1x4d n LYS 27 Cb 0.00 -0.63 0.07 0.00 0.02 0.00 0.00 35.03 34.48 1x4d n LYS 27 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1x4d n ASN 28 N -3.58 6.42 0.41 3.14 3.02 -1.26 -4.75 115.26 118.66 1x4d n ASN 28 Ca -0.03 -3.77 -0.19 0.00 -0.03 0.00 0.00 54.58 50.56 1x4d n ASN 28 Cb 0.10 -0.74 -0.09 0.00 -0.61 0.00 0.00 39.78 38.43 1x4d n ASN 28 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1x4d h LEU 29 N 1.99 -1.00 -1.23 3.41 7.12 -1.93 -2.00 115.31 121.67 1x4d h LEU 29 Ca 0.51 0.05 0.36 0.00 0.13 0.00 0.00 57.88 58.93 1x4d h LEU 29 Cb 1.16 0.28 -0.05 0.00 -0.53 0.00 0.00 40.66 41.52 1x4d h LEU 29 CO 1.24 -0.66 1.21 -1.14 -0.13 0.00 0.00 178.44 178.97 1x4d n ARG 30 N -5.56 0.01 0.07 1.25 0.63 -1.26 0.23 116.66 112.02 1x4d n ARG 30 Ca -0.14 0.98 -0.23 0.00 -0.92 0.00 0.00 57.85 57.54 1x4d n ARG 30 Cb 0.44 -2.39 -0.15 0.00 0.45 0.00 0.00 32.46 30.82 1x4d n ARG 30 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1x4d h TYR 31 N 0.00 0.68 0.01 -0.14 3.20 -1.75 -3.10 116.97 115.87 1x4d h TYR 31 Ca 0.59 -0.50 0.03 0.00 3.14 0.00 0.00 58.73 61.98 1x4d h TYR 31 Cb 3.00 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 41.21 1x4d h TYR 31 CO 0.00 1.60 -0.21 1.96 -1.64 0.00 0.00 178.16 179.87 1x4d h GLN 32 N -0.03 -0.34 0.39 1.82 1.08 0.33 0.32 115.11 118.69 1x4d h GLN 32 Ca -0.31 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 56.90 1x4d h GLN 32 Cb 1.99 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 29.50 1x4d h GLN 32 CO 0.16 -0.22 -0.19 -0.07 -0.95 0.00 0.00 178.83 177.56 1x4d h LEU 33 N -0.35 -0.44 -1.44 1.46 3.38 -1.60 -2.63 115.31 113.69 1x4d h LEU 33 Ca 0.06 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.15 1x4d h LEU 33 Cb 0.42 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 1x4d h LEU 33 CO -0.19 -0.29 0.52 -0.07 0.09 0.00 0.00 178.44 178.51 1x4d h LEU 34 N -0.56 0.53 -0.56 1.67 3.38 -1.44 0.25 115.31 118.59 1x4d h LEU 34 Ca -0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1x4d h LEU 34 Cb 0.42 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1x4d h LEU 34 CO 0.09 0.28 0.02 0.00 0.09 0.00 0.00 178.44 178.92 1x4d n GLN 35 N -4.51 0.05 0.04 1.13 1.13 0.11 0.04 117.38 115.38 1x4d n GLN 35 Ca 0.15 0.54 0.13 0.00 -1.94 0.00 0.00 57.00 55.88 1x4d n GLN 35 Cb 0.45 -1.70 0.42 0.00 0.11 0.00 0.00 30.24 29.52 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 -1.79 0.43 0.00 1.08 4.77 0.89 -4.05 117.00 118.34 1x4d n LEU 36 Ca -0.01 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1x4d n LEU 36 Cb 0.03 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1x4d n LEU 36 CO 0.04 -0.03 -0.35 1.33 -1.33 0.00 0.00 177.39 177.04 1x4d n VAL 37 N -1.81 0.00 -0.16 4.08 0.24 0.80 -4.73 118.33 116.75 1x4d n VAL 37 Ca 0.06 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.24 1x4d n VAL 37 Cb 0.38 -0.16 -0.09 0.00 -1.47 0.00 0.00 33.84 32.51 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 -0.30 0.00 7.34 4.39 -0.53 0.72 114.58 126.20 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 0.34 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1x4d h GLU 38 CO 0.00 -0.20 0.00 -0.35 -1.16 0.00 0.00 179.01 177.30 1x4d n PRO 39 N -5.09 0.49 -0.04 2.33 -0.04 -1.26 -2.14 135.00 129.25 1x4d n PRO 39 Ca -0.03 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.44 1x4d n PRO 39 Cb 0.30 -1.41 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.91 0.00 -1.75 0.54 3.01 0.21 -5.10 117.46 113.46 1x4d n PHE 40 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1x4d n PHE 40 Cb 0.04 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 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 1.92 1.30 3.67 1.37 0.00 0.12 -4.52 105.19 109.05 1x4d n GLY 41 Ca -0.12 -0.26 -0.31 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 -0.89 3.97 -0.54 1.61 0.11 -1.26 -4.50 120.40 118.89 1x4d s VAL 42 Ca 0.00 -0.86 -0.21 0.00 -2.93 0.00 0.00 61.98 57.98 1x4d s VAL 42 Cb 0.00 -2.83 0.06 0.00 -1.53 0.00 0.00 36.38 32.07 1x4d s VAL 42 CO 0.00 0.23 0.77 -0.63 -3.33 0.00 0.00 175.10 172.15 1x4d s ILE 43 N -1.20 4.65 -0.02 7.04 -1.09 -1.26 -3.15 121.20 126.17 1x4d s ILE 43 Ca 0.22 -0.26 -0.17 0.00 -2.23 0.00 0.00 60.65 58.22 1x4d s ILE 43 Cb -0.12 -4.43 -0.33 0.00 -1.58 0.00 0.00 42.46 36.00 1x4d s ILE 43 CO 0.14 -1.00 0.86 0.28 -1.23 0.00 0.00 174.94 173.99 1x4d h SER 44 N 9.18 0.66 -1.98 3.58 0.02 -1.61 -3.48 113.55 119.91 1x4d h SER 44 Ca -0.27 -0.93 0.17 0.00 -0.84 0.00 0.00 61.79 59.92 1x4d h SER 44 Cb 1.08 -0.21 -0.29 0.00 0.14 0.00 0.00 62.40 63.12 1x4d h SER 44 CO 1.04 1.63 0.51 0.20 -1.14 0.00 0.00 176.83 179.07 1x4d s ASN 45 N -7.31 -0.31 0.19 3.07 0.01 -1.09 -5.01 114.94 104.48 1x4d s ASN 45 Ca -0.13 0.49 0.09 0.00 -0.71 0.00 0.00 52.86 52.60 1x4d s ASN 45 Cb 0.03 1.18 -0.04 0.00 0.41 0.00 0.00 41.25 42.83 1x4d s ASN 45 CO 0.88 -0.07 -0.10 -1.38 -1.51 0.00 0.00 177.10 174.92 1x4d s HIS 46 N 1.42 2.62 -0.03 2.20 -3.43 -1.26 0.28 115.29 117.08 1x4d s HIS 46 Ca -0.07 -0.23 -0.01 0.00 -0.80 0.00 0.00 55.06 53.95 1x4d s HIS 46 Cb -0.03 -1.27 0.03 0.00 -1.43 0.00 0.00 32.58 29.88 1x4d s HIS 46 CO -0.13 0.52 0.03 -1.17 -2.00 0.00 0.00 174.74 171.99 1x4d s LEU 47 N -2.90 0.68 -0.30 5.38 0.20 0.20 -4.99 118.68 116.95 1x4d s LEU 47 Ca 0.25 0.03 -0.01 0.00 0.69 0.00 0.00 54.13 55.10 1x4d s LEU 47 Cb -0.08 -0.16 0.10 0.00 -0.43 0.00 0.00 46.19 45.61 1x4d s LEU 47 CO 0.15 -0.18 0.08 -0.63 -0.29 0.00 0.00 176.35 175.49 1x4d s ILE 48 N 1.58 0.96 0.54 6.68 1.01 -1.26 -0.85 121.20 129.87 1x4d s ILE 48 Ca -0.02 -1.39 -0.22 0.00 0.00 0.00 0.00 60.65 59.01 1x4d s ILE 48 Cb -0.13 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 1x4d s ILE 48 CO -0.03 -0.62 1.33 -0.76 0.00 0.00 0.00 174.94 174.87 1x4d s LEU 49 N 1.58 3.87 -0.36 2.97 1.43 -1.17 -4.92 118.68 122.08 1x4d s LEU 49 Ca 0.09 2.71 0.08 0.00 -1.03 0.00 0.00 54.13 55.98 1x4d s LEU 49 Cb -0.17 -4.27 0.68 0.00 0.03 0.00 0.00 46.19 42.45 1x4d s LEU 49 CO -0.22 -1.50 1.78 0.59 0.23 0.00 0.00 176.35 177.23 1x4d n ASN 50 N -0.97 4.10 -0.04 2.29 4.13 -1.26 -4.34 115.26 119.16 1x4d n ASN 50 Ca 0.10 -3.43 -0.06 0.00 1.68 0.00 0.00 54.58 52.87 1x4d n ASN 50 Cb 0.45 -0.76 -0.03 0.00 -1.54 0.00 0.00 39.78 37.90 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 -0.66 0.19 -2.99 3.52 5.02 -1.26 -5.10 118.16 116.88 1x4d n LYS 51 Ca 0.46 0.05 -0.09 0.00 -2.02 0.00 0.00 58.31 56.71 1x4d n LYS 51 Cb 1.42 -1.08 -0.03 0.00 -0.02 0.00 0.00 35.03 35.32 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 -2.85 0.00 -1.58 -0.18 -0.00 -1.26 -5.05 119.36 108.44 1x4d n ILE 52 Ca -0.14 -1.05 -0.29 0.00 -0.00 0.00 0.00 62.75 61.27 1x4d n ILE 52 Cb 0.64 0.48 -0.05 0.00 -0.00 0.00 0.00 39.64 40.71 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 -2.25 6.70 -4.18 7.28 3.02 -1.26 -4.74 115.26 119.83 1x4d n ASN 53 Ca 0.02 -3.25 -0.31 0.00 -0.03 0.00 0.00 54.58 51.01 1x4d n ASN 53 Cb 0.26 -1.23 -0.17 0.00 -0.61 0.00 0.00 39.78 38.03 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 -1.84 2.88 0.02 3.52 2.02 -1.26 -3.59 118.70 120.44 1x4d s GLU 54 Ca 0.58 -0.81 -0.02 0.00 0.02 0.00 0.00 54.97 54.74 1x4d s GLU 54 Cb 0.37 -2.25 -0.02 0.00 0.10 0.00 0.00 34.13 32.33 1x4d s GLU 54 CO -0.22 0.08 0.00 0.00 0.02 0.00 0.00 175.26 175.14 1x4d s ALA 55 N 0.58 0.05 -0.05 5.21 0.00 -0.82 -3.04 121.76 123.69 1x4d s ALA 55 Ca -0.14 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1x4d s ALA 55 Cb -0.17 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.13 1x4d s ALA 55 CO 0.04 -0.18 0.01 -0.06 0.00 0.00 0.00 175.76 175.57 1x4d s PHE 56 N -1.55 0.48 -0.09 0.00 0.08 -0.03 -0.68 117.98 116.18 1x4d s PHE 56 Ca -0.15 -0.06 -0.01 0.00 0.12 0.00 0.00 56.93 56.84 1x4d s PHE 56 Cb -0.09 -0.62 -0.03 0.00 -0.57 0.00 0.00 43.02 41.71 1x4d s PHE 56 CO -0.01 -0.23 -0.04 0.42 -0.10 0.00 0.00 175.22 175.25 1x4d s ILE 57 N 1.61 3.91 -0.18 0.64 1.01 -0.81 -0.63 121.20 126.74 1x4d s ILE 57 Ca -0.01 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 1x4d s ILE 57 Cb -0.13 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 1x4d s ILE 57 CO -0.03 0.58 -0.00 -0.70 0.00 0.00 0.00 174.94 174.78 1x4d s GLU 58 N -0.58 3.69 0.02 2.79 2.12 0.14 -0.68 118.70 126.21 1x4d s GLU 58 Ca 0.09 -0.49 -0.05 0.00 0.36 0.00 0.00 54.97 54.87 1x4d s GLU 58 Cb -0.12 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.18 1x4d s GLU 58 CO 0.02 0.12 0.27 -1.64 -0.54 0.00 0.00 175.26 173.49 1x4d s MET 59 N 0.71 3.56 0.58 4.30 -1.94 -1.22 -1.60 119.30 123.69 1x4d s MET 59 Ca -0.00 -0.13 0.31 0.00 -1.71 0.00 0.00 55.69 54.15 1x4d s MET 59 Cb -0.14 -3.05 1.80 0.00 2.01 0.00 0.00 34.83 35.45 1x4d s MET 59 CO 0.02 0.63 2.22 0.00 -0.01 0.00 0.00 175.02 177.88 1x4d h ALA 60 N 3.77 1.40 -3.23 3.03 0.00 -1.90 -3.40 119.26 118.91 1x4d h ALA 60 Ca -0.49 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.06 1x4d h ALA 60 Cb 1.19 -0.00 -0.37 0.00 0.00 0.00 0.00 17.79 18.60 1x4d h ALA 60 CO 0.68 0.04 -0.69 0.95 0.00 0.00 0.00 179.25 180.22 1x4d s THR 61 N -4.45 -0.16 0.60 0.00 -4.23 -1.26 -5.00 115.64 101.13 1x4d s THR 61 Ca -0.04 0.38 0.27 0.00 -1.18 0.00 0.00 61.69 61.12 1x4d s THR 61 Cb 0.14 -0.21 0.39 0.00 1.34 0.00 0.00 72.50 74.16 1x4d s THR 61 CO 0.54 0.16 1.48 0.00 -0.54 0.00 0.00 174.62 176.26 1x4d h THR 62 N 6.39 0.10 -0.88 3.99 1.03 -1.85 0.49 112.91 122.19 1x4d h THR 62 Ca -0.16 0.00 0.08 0.00 -0.01 0.00 0.00 66.41 66.32 1x4d h THR 62 Cb 1.12 0.19 -0.07 0.00 -1.07 0.00 0.00 68.15 68.32 1x4d h THR 62 CO 0.18 0.00 0.53 -0.33 -0.01 0.00 0.00 175.52 175.89 1x4d h GLU 63 N 0.00 0.90 0.50 0.00 5.08 -1.95 -0.03 114.58 119.09 1x4d h GLU 63 Ca 0.40 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 1x4d h GLU 63 Cb 2.40 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.45 1x4d h GLU 63 CO -0.00 0.60 -0.24 -0.44 -1.00 0.00 0.00 179.01 177.92 1x4d h ASP 64 N 0.93 -0.57 -0.47 1.42 3.32 -0.23 -2.63 116.42 118.19 1x4d h ASP 64 Ca 0.40 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.55 1x4d h ASP 64 Cb 0.27 0.15 -0.10 0.00 0.22 0.00 0.00 39.33 39.87 1x4d h ASP 64 CO -0.21 -0.19 -0.39 0.00 -1.72 0.00 0.00 179.24 176.73 1x4d h ALA 65 N -1.24 -0.29 -0.99 3.45 0.00 -1.57 0.24 119.26 118.86 1x4d h ALA 65 Ca -0.07 0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.11 1x4d h ALA 65 Cb 0.52 0.85 -0.09 0.00 0.00 0.00 0.00 17.79 19.06 1x4d h ALA 65 CO 0.11 -0.80 0.61 1.96 0.00 0.00 0.00 179.25 181.14 1x4d h GLN 66 N -0.27 0.75 -0.09 0.00 4.20 -1.10 -1.50 115.11 117.09 1x4d h GLN 66 Ca 0.17 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1x4d h GLN 66 Cb 0.57 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1x4d h GLN 66 CO -0.61 0.49 -0.05 0.00 -0.67 0.00 0.00 178.83 178.00 1x4d h ALA 67 N 1.61 0.13 -0.94 3.87 0.00 -0.34 -2.93 119.26 120.66 1x4d h ALA 67 Ca 0.54 -0.25 0.27 0.00 0.00 0.00 0.00 54.91 55.47 1x4d h ALA 67 Cb 0.83 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1x4d h ALA 67 CO -0.32 -0.10 0.69 0.00 0.00 0.00 0.00 179.25 179.53 1x4d h ALA 68 N 0.63 2.87 -0.01 0.00 0.00 0.36 0.01 119.26 123.12 1x4d h ALA 68 Ca 0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1x4d h ALA 68 Cb 0.51 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1x4d h ALA 68 CO 0.01 -1.18 -0.23 0.28 0.00 0.00 0.00 179.25 178.14 1x4d h VAL 69 N 0.00 1.52 0.00 0.00 2.07 -1.29 -3.13 116.25 115.42 1x4d h VAL 69 Ca 0.45 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1x4d h VAL 69 Cb 1.83 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 34.26 1x4d h VAL 69 CO -0.00 0.51 0.07 -0.78 0.02 0.00 0.00 177.57 177.38 1x4d h ASP 70 N -0.46 0.00 1.61 0.57 1.82 -0.84 0.24 116.42 119.36 1x4d h ASP 70 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1x4d h ASP 70 Cb 0.96 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.97 1x4d h ASP 70 CO 0.05 0.00 -0.38 0.22 -1.61 0.00 0.00 179.24 177.51 1x4d h TYR 71 N 0.00 0.00 0.00 0.28 5.03 -1.38 -3.03 116.97 117.88 1x4d h TYR 71 Ca 0.00 0.00 -0.21 0.00 2.58 0.00 0.00 58.73 61.10 1x4d h TYR 71 Cb 0.13 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.38 1x4d h TYR 71 CO 0.00 0.00 -1.30 -0.92 -1.32 0.00 0.00 178.16 174.62 1x4d h TYR 72 N 0.00 0.00 0.09 -3.82 3.20 -0.58 -1.98 116.97 113.88 1x4d h TYR 72 Ca 0.00 0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.61 1x4d h TYR 72 Cb 1.00 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 1x4d h TYR 72 CO 0.00 0.79 -1.19 0.00 -1.64 0.00 0.00 178.16 176.12 1x4d h THR 73 N 0.00 1.54 0.00 1.81 1.03 -1.57 -3.31 112.91 112.41 1x4d h THR 73 Ca -0.15 -3.15 0.00 0.00 -0.01 0.00 0.00 66.41 63.10 1x4d h THR 73 Cb 1.74 2.91 0.00 0.00 -1.07 0.00 0.00 68.15 71.73 1x4d h THR 73 CO 0.08 0.91 -1.12 0.35 -0.01 0.00 0.00 175.52 175.73 1x4d n THR 74 N -3.48 0.50 -3.80 0.00 -2.24 -1.14 -4.91 114.28 99.21 1x4d n THR 74 Ca -0.07 -0.51 -0.13 0.00 -2.27 0.00 0.00 64.05 61.08 1x4d n THR 74 Cb 1.00 -0.25 -0.13 0.00 -2.10 0.00 0.00 70.33 68.86 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 -3.37 -0.01 0.02 4.28 2.01 -0.74 -5.08 115.64 112.75 1x4d s THR 75 Ca -0.01 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 1x4d s THR 75 Cb 0.11 -0.25 -0.06 0.00 0.01 0.00 0.00 72.50 72.30 1x4d s THR 75 CO 0.80 0.01 1.44 -2.16 -0.69 0.00 0.00 174.62 174.02 1x4d s PRO 76 N 0.26 4.27 -0.75 4.92 0.04 -1.26 -3.76 135.00 138.73 1x4d s PRO 76 Ca -0.01 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.86 1x4d s PRO 76 Cb -0.03 -3.55 0.12 0.00 0.04 0.00 0.00 34.50 31.08 1x4d s PRO 76 CO -0.01 -0.59 0.90 0.00 0.04 0.00 0.00 177.00 177.35 1x4d s ALA 77 N 2.33 3.43 -0.45 8.56 0.00 -1.26 -5.01 121.76 129.36 1x4d s ALA 77 Ca 0.65 -2.47 -0.20 0.00 0.00 0.00 0.00 51.96 49.93 1x4d s ALA 77 Cb -0.33 -3.76 0.03 0.00 0.00 0.00 0.00 23.12 19.05 1x4d s ALA 77 CO 0.28 -2.63 0.63 -0.51 0.00 0.00 0.00 175.76 173.53 1x4d s LEU 78 N 2.63 4.56 -0.24 0.00 1.43 -1.26 -2.09 118.68 123.70 1x4d s LEU 78 Ca 0.21 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.74 1x4d s LEU 78 Cb -0.15 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1x4d s LEU 78 CO -0.00 -0.79 0.41 -0.69 0.23 0.00 0.00 176.35 175.51 1x4d s VAL 79 N 2.79 5.16 0.00 -1.59 1.01 0.43 -4.05 120.40 124.14 1x4d s VAL 79 Ca 0.21 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1x4d s VAL 79 Cb -0.15 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1x4d s VAL 79 CO 0.18 0.18 0.00 0.49 0.00 0.00 0.00 175.10 175.95 1x4d n PHE 80 N 5.06 0.00 0.00 5.22 3.72 -1.26 -1.54 117.46 128.66 1x4d n PHE 80 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1x4d n PHE 80 Cb 0.51 -1.19 0.00 0.00 -0.94 0.00 0.00 39.48 37.86 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 -1.19 2.05 3.68 1.37 0.00 -1.26 -5.10 105.19 104.74 1x4d n GLY 81 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.16 2.51 0.56 1.61 0.00 -0.59 -4.97 119.74 118.70 1x4d s LYS 82 Ca 0.00 -0.88 -0.19 0.00 0.00 0.00 0.00 55.97 54.90 1x4d s LYS 82 Cb 0.00 -2.51 -0.05 0.00 0.00 0.00 0.00 37.83 35.27 1x4d s LYS 82 CO 0.00 0.53 1.13 -1.25 0.00 0.00 0.00 175.35 175.75 1x4d s PRO 83 N -2.39 3.29 0.17 1.78 0.04 -1.26 0.16 135.00 136.80 1x4d s PRO 83 Ca 0.26 1.58 0.04 0.00 0.04 0.00 0.00 61.00 62.92 1x4d s PRO 83 Cb -0.11 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 1x4d s PRO 83 CO 0.18 -0.89 0.14 1.33 0.04 0.00 0.00 177.00 177.80 1x4d n VAL 84 N -1.44 0.00 -5.01 -0.36 0.24 -0.89 -4.77 118.33 106.10 1x4d n VAL 84 Ca 0.11 -1.26 -0.32 0.00 -2.04 0.00 0.00 64.34 60.83 1x4d n VAL 84 Cb 0.51 0.62 -0.14 0.00 -1.47 0.00 0.00 33.84 33.36 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 -2.71 2.59 -0.13 7.34 0.52 -0.83 -4.77 118.95 120.96 1x4d s ARG 85 Ca 0.20 -0.77 -0.00 0.00 -0.52 0.00 0.00 55.73 54.64 1x4d s ARG 85 Cb 0.01 -2.33 0.03 0.00 0.52 0.00 0.00 34.95 33.18 1x4d s ARG 85 CO 0.14 0.51 -0.08 0.08 0.02 0.00 0.00 175.30 175.97 1x4d s VAL 86 N -0.45 1.12 0.24 3.52 1.01 -1.26 -2.42 120.40 122.17 1x4d s VAL 86 Ca 0.05 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.63 1x4d s VAL 86 Cb -0.12 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 1x4d s VAL 86 CO 0.02 0.31 0.01 -1.00 0.00 0.00 0.00 175.10 174.43 1x4d s HIS 87 N 1.66 1.61 -0.86 5.22 3.76 -0.46 -4.96 115.29 121.27 1x4d s HIS 87 Ca 0.04 -0.93 -0.04 0.00 -0.15 0.00 0.00 55.06 53.98 1x4d s HIS 87 Cb -0.13 -0.94 0.21 0.00 1.11 0.00 0.00 32.58 32.83 1x4d s HIS 87 CO -0.08 -0.04 0.75 -1.17 -0.85 0.00 0.00 174.74 173.34 1x4d s LEU 88 N -3.33 5.67 1.10 0.89 1.98 -1.26 -1.05 118.68 122.68 1x4d s LEU 88 Ca 0.30 -3.45 -0.18 0.00 -2.89 0.00 0.00 54.13 47.90 1x4d s LEU 88 Cb 0.06 -1.95 0.25 0.00 0.66 0.00 0.00 46.19 45.21 1x4d s LEU 88 CO 0.10 -0.26 1.21 -0.44 -1.89 0.00 0.00 176.35 175.06 1x4d s SER 89 N 0.36 1.83 -0.48 3.68 0.01 0.56 -4.90 113.70 114.77 1x4d s SER 89 Ca 0.25 0.44 0.06 0.00 1.31 0.00 0.00 55.95 58.01 1x4d s SER 89 Cb -0.10 -0.56 0.22 0.00 0.21 0.00 0.00 66.02 65.78 1x4d s SER 89 CO -0.10 -3.55 0.72 0.00 0.41 0.00 0.00 173.24 170.72 1x4d n GLN 90 N -4.34 0.62 -0.87 12.44 10.64 -1.26 -2.93 117.38 131.67 1x4d n GLN 90 Ca 0.15 -2.22 0.00 0.00 -1.83 0.00 0.00 57.00 53.09 1x4d n GLN 90 Cb 0.59 -1.46 0.00 0.00 -0.86 0.00 0.00 30.24 28.52 1x4d n GLN 90 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 1x4d n LYS 91 N 2.20 0.00 -2.96 2.61 2.85 -1.26 -5.01 118.16 116.59 1x4d n LYS 91 Ca 0.16 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.30 1x4d n LYS 91 Cb 0.57 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.97 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 0.00 -3.36 -1.75 5.58 4.01 -1.26 -4.78 117.16 115.60 1x4d n TYR 92 Ca 0.00 1.36 -0.37 0.00 -0.16 0.00 0.00 57.90 58.72 1x4d n TYR 92 Cb 0.00 -3.75 -0.03 0.00 -0.31 0.00 0.00 39.34 35.25 1x4d n TYR 92 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1x4d s LYS 93 N -2.61 2.37 -0.20 -0.72 2.20 -1.26 -4.01 119.74 115.51 1x4d s LYS 93 Ca 0.26 1.15 -0.06 0.00 -0.36 0.00 0.00 55.97 56.96 1x4d s LYS 93 Cb -0.06 -4.49 0.02 0.00 -1.51 0.00 0.00 37.83 31.79 1x4d s LYS 93 CO 0.79 -2.99 0.12 -2.13 -0.36 0.00 0.00 175.35 170.78 1x4d n ARG 94 N 9.04 -3.49 -2.56 4.03 0.63 -1.26 -4.92 116.66 118.13 1x4d n ARG 94 Ca 0.30 2.76 -0.42 0.00 -0.92 0.00 0.00 57.85 59.57 1x4d n ARG 94 Cb 0.53 -4.55 -0.03 0.00 0.45 0.00 0.00 32.46 28.87 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 -0.91 4.46 -0.13 5.15 1.01 -1.26 -4.41 121.20 125.11 1x4d s ILE 95 Ca -0.14 1.76 -0.01 0.00 0.00 0.00 0.00 60.65 62.26 1x4d s ILE 95 Cb 0.01 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.35 1x4d s ILE 95 CO 0.67 0.05 0.03 0.29 0.00 0.00 0.00 174.94 175.98 1x4d n LYS 96 N 4.69 -2.06 0.00 2.79 5.02 -1.26 -4.95 118.16 122.38 1x4d n LYS 96 Ca 0.09 1.87 0.00 0.00 -2.02 0.00 0.00 58.31 58.25 1x4d n LYS 96 Cb 0.48 -3.03 0.00 0.00 -0.02 0.00 0.00 35.03 32.46 1x4d n LYS 96 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1x4d n SER 97 N 1.28 1.16 0.00 4.39 3.41 -1.26 -5.12 113.62 117.48 1x4d n SER 97 Ca -0.05 -1.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 1x4d n SER 97 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1x4d n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4d n GLY 98 N -0.22 1.52 3.55 5.00 0.00 -1.26 -4.95 105.19 108.83 1x4d n GLY 98 Ca 0.00 -2.19 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.52 2.62 -0.27 1.61 0.04 -1.26 -4.91 135.00 131.31 1x4d s PRO 99 Ca 0.00 0.56 -0.15 0.00 0.04 0.00 0.00 61.00 61.45 1x4d s PRO 99 Cb 0.00 -4.42 0.08 0.00 0.04 0.00 0.00 34.50 30.20 1x4d s PRO 99 CO 0.00 -2.77 0.66 -1.12 0.04 0.00 0.00 177.00 173.81 1x4d s SER 100 N 8.09 -0.92 -0.17 6.66 0.01 -1.26 -5.15 113.70 120.96 1x4d s SER 100 Ca 0.67 1.47 -0.06 0.00 1.31 0.00 0.00 55.95 59.34 1x4d s SER 100 Cb -0.12 1.41 0.08 0.00 0.21 0.00 0.00 66.02 67.59 1x4d s SER 100 CO 0.20 -0.23 0.36 -0.44 0.41 0.00 0.00 173.24 173.53 1x4d s SER 101 N 1.72 -0.07 0.00 2.44 0.01 -1.26 -5.10 113.70 111.44 1x4d s SER 101 Ca -0.10 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.00 1x4d s SER 101 Cb -0.06 1.06 0.00 0.00 0.21 0.00 0.00 66.02 67.24 1x4d s SER 101 CO -0.19 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 173.84