#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 5.18 -4.58 1.61 3.41 -1.26 -5.01 113.62 112.97 1x4d n SER 2 Ca 0.00 -3.75 -0.42 0.00 -0.26 0.00 0.00 58.87 54.44 1x4d n SER 2 Cb 0.00 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.50 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 -3.40 6.33 -0.03 4.04 0.01 -1.26 -5.00 113.70 114.39 1x4d s SER 3 Ca 0.52 0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.98 1x4d s SER 3 Cb 0.42 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 64.08 1x4d s SER 3 CO -0.01 -1.58 -0.22 -0.83 0.41 0.00 0.00 173.24 171.02 1x4d s GLY 4 N 3.49 1.12 0.02 3.44 0.00 -1.26 -5.13 107.32 109.00 1x4d s GLY 4 Ca 0.46 -0.93 -0.10 0.00 0.00 0.00 0.00 44.72 44.15 1x4d s GLY 4 CO 0.25 -0.66 0.35 -0.56 0.00 0.00 0.00 173.10 172.48 1x4d s SER 5 N -0.29 6.63 -0.30 1.64 0.01 -1.26 -5.07 113.70 115.05 1x4d s SER 5 Ca 0.02 0.76 -0.06 0.00 1.31 0.00 0.00 55.95 57.98 1x4d s SER 5 Cb -0.11 -2.17 0.18 0.00 0.21 0.00 0.00 66.02 64.14 1x4d s SER 5 CO 0.01 0.25 0.77 -0.55 0.41 0.00 0.00 173.24 174.14 1x4d s SER 6 N -1.50 -1.03 0.00 2.44 0.15 -1.26 -4.99 113.70 107.52 1x4d s SER 6 Ca 0.28 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.62 1x4d s SER 6 Cb -0.14 1.88 0.00 0.00 -1.71 0.00 0.00 66.02 66.05 1x4d s SER 6 CO 0.15 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.01 1x4d n GLY 7 N 5.43 0.97 2.92 9.45 0.00 -1.26 -5.13 105.19 117.58 1x4d n GLY 7 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1x4d n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x4d s GLN 8 N 0.05 1.28 -0.29 1.61 -0.44 -1.26 -5.10 119.66 115.52 1x4d s GLN 8 Ca 0.00 -0.22 0.04 0.00 -2.50 0.00 0.00 55.36 52.68 1x4d s GLN 8 Cb 0.00 -1.25 0.18 0.00 -1.64 0.00 0.00 33.01 30.29 1x4d s GLN 8 CO 0.00 -0.13 0.50 0.21 0.50 0.00 0.00 175.29 176.37 1x4d s LYS 9 N 1.20 0.48 -0.08 1.67 2.36 -1.26 -5.15 119.74 118.97 1x4d s LYS 9 Ca -0.05 0.37 0.04 0.00 -2.55 0.00 0.00 55.97 53.77 1x4d s LYS 9 Cb -0.14 -0.02 0.00 0.00 -1.05 0.00 0.00 37.83 36.62 1x4d s LYS 9 CO -0.02 -1.01 -0.20 0.20 1.55 0.00 0.00 175.35 175.87 1x4d s GLY 10 N 2.69 1.13 -0.02 5.54 0.00 -1.26 -5.13 107.32 110.27 1x4d s GLY 10 Ca 0.10 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 44.08 1x4d s GLY 10 CO -0.27 -0.23 -0.14 -1.60 0.00 0.00 0.00 173.10 170.85 1x4d s ARG 11 N 0.36 1.30 0.00 2.90 3.52 -1.26 -5.01 118.95 120.76 1x4d s ARG 11 Ca -0.15 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 54.94 1x4d s ARG 11 Cb -0.16 -1.21 0.00 0.00 -1.56 0.00 0.00 34.95 32.02 1x4d s ARG 11 CO 0.06 0.26 0.00 1.33 -0.81 0.00 0.00 175.30 176.15 1x4d n VAL 12 N 2.93 0.00 -3.48 7.11 0.24 -1.26 -5.08 118.33 118.79 1x4d n VAL 12 Ca -0.16 -0.09 -0.38 0.00 -2.04 0.00 0.00 64.34 61.67 1x4d n VAL 12 Cb 0.54 0.52 0.04 0.00 -1.47 0.00 0.00 33.84 33.47 1x4d n VAL 12 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1x4d n GLU 13 N -1.00 -1.95 -3.86 7.34 0.00 -1.26 -4.99 120.64 114.91 1x4d n GLU 13 Ca 0.00 1.46 -0.21 0.00 0.00 0.00 0.00 57.16 58.42 1x4d n GLU 13 Cb 0.00 -2.22 -0.05 0.00 0.00 0.00 0.00 31.44 29.17 1x4d n GLU 13 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1x4d n THR 14 N -0.18 0.00 -1.19 6.31 5.66 -1.26 -5.11 114.28 118.51 1x4d n THR 14 Ca -0.08 -1.78 -0.38 0.00 -3.05 0.00 0.00 64.05 58.76 1x4d n THR 14 Cb 0.67 0.55 0.02 0.00 -1.55 0.00 0.00 70.33 70.02 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 -0.77 0.00 -3.59 1.09 1.74 -1.26 -4.72 116.66 109.15 1x4d n ARG 15 Ca -0.08 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.59 1x4d n ARG 15 Cb 0.47 -1.00 -0.10 0.00 -1.02 0.00 0.00 32.46 30.81 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 -1.23 2.67 -0.30 5.56 3.00 -1.26 -4.77 118.95 122.61 1x4d s ARG 16 Ca 0.53 -1.38 -0.03 0.00 0.00 0.00 0.00 55.73 54.85 1x4d s ARG 16 Cb -0.42 -3.79 0.11 0.00 0.00 0.00 0.00 34.95 30.85 1x4d s ARG 16 CO 0.70 -0.91 0.17 0.08 0.00 0.00 0.00 175.30 175.33 1x4d s VAL 17 N 1.46 -0.09 -0.56 3.52 1.01 -1.15 -3.54 120.40 121.05 1x4d s VAL 17 Ca 0.03 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 1x4d s VAL 17 Cb -0.22 -0.99 0.04 0.00 0.00 0.00 0.00 36.38 35.20 1x4d s VAL 17 CO 0.03 -0.73 1.03 0.54 0.00 0.00 0.00 175.10 175.98 1x4d s VAL 18 N 1.99 4.26 -0.09 2.92 0.11 -0.49 0.11 120.40 129.21 1x4d s VAL 18 Ca 0.10 0.53 -0.26 0.00 -2.93 0.00 0.00 61.98 59.42 1x4d s VAL 18 Cb -0.17 -4.60 -0.02 0.00 -1.53 0.00 0.00 36.38 30.06 1x4d s VAL 18 CO -0.31 -1.18 0.85 -2.28 -3.33 0.00 0.00 175.10 168.85 1x4d s HIS 19 N 4.31 3.53 -0.12 1.54 2.46 0.10 -2.25 115.29 124.87 1x4d s HIS 19 Ca 0.35 1.40 0.02 0.00 0.47 0.00 0.00 55.06 57.30 1x4d s HIS 19 Cb -0.11 -3.00 0.01 0.00 -0.13 0.00 0.00 32.58 29.35 1x4d s HIS 19 CO 0.22 -0.09 -0.17 0.42 -2.47 0.00 0.00 174.74 172.64 1x4d s ILE 20 N 1.49 1.68 0.22 0.89 1.01 -0.81 -1.36 121.20 124.32 1x4d s ILE 20 Ca 0.43 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1x4d s ILE 20 Cb -0.18 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 1x4d s ILE 20 CO 0.18 0.48 -0.03 -0.04 0.00 0.00 0.00 174.94 175.53 1x4d s MET 21 N 0.92 1.30 -0.02 2.79 -1.94 -0.83 -2.37 119.30 119.15 1x4d s MET 21 Ca -0.07 -1.64 0.00 0.00 -1.71 0.00 0.00 55.69 52.27 1x4d s MET 21 Cb -0.15 -0.67 0.00 0.00 2.01 0.00 0.00 34.83 36.02 1x4d s MET 21 CO -0.01 -0.05 0.00 -3.47 -0.01 0.00 0.00 175.02 171.48 1x4d n ASP 22 N -0.39 -3.48 -4.84 3.03 -0.08 -1.23 -1.29 116.55 108.28 1x4d n ASP 22 Ca -0.06 0.01 -0.38 0.00 -1.51 0.00 0.00 54.79 52.85 1x4d n ASP 22 Cb 0.63 -1.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.03 1x4d n ASP 22 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1x4d s PHE 23 N -1.86 3.70 0.57 -0.67 -0.12 -1.26 -4.70 117.98 113.64 1x4d s PHE 23 Ca 0.00 0.90 0.02 0.00 -0.05 0.00 0.00 56.93 57.80 1x4d s PHE 23 Cb 0.00 -2.23 0.11 0.00 -0.63 0.00 0.00 43.02 40.27 1x4d s PHE 23 CO 0.00 0.64 0.79 1.04 -0.05 0.00 0.00 175.22 177.64 1x4d n GLN 24 N 1.93 0.21 -4.43 1.99 1.13 -1.26 -4.64 117.38 112.31 1x4d n GLN 24 Ca -0.15 -2.40 -0.21 0.00 -1.94 0.00 0.00 57.00 52.30 1x4d n GLN 24 Cb 0.53 -0.45 -0.10 0.00 0.11 0.00 0.00 30.24 30.33 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 -4.53 1.55 0.00 -1.09 0.52 -1.26 -4.94 118.95 109.20 1x4d s ARG 25 Ca 0.54 -1.77 0.00 0.00 -0.52 0.00 0.00 55.73 53.98 1x4d s ARG 25 Cb -0.03 -1.22 0.00 0.00 0.52 0.00 0.00 34.95 34.21 1x4d s ARG 25 CO 0.36 0.08 0.00 0.41 0.02 0.00 0.00 175.30 176.16 1x4d n GLY 26 N -0.58 1.95 0.08 -3.53 0.00 -1.26 -4.97 105.19 96.89 1x4d n GLY 26 Ca -0.06 0.25 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 1x4d n GLY 26 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x4d n LYS 27 N 0.00 1.29 -1.31 1.61 2.85 -1.26 -4.61 118.16 116.74 1x4d n LYS 27 Ca 0.00 0.01 -0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1x4d n LYS 27 Cb 0.00 -1.40 0.11 0.00 -0.65 0.00 0.00 35.03 33.09 1x4d n LYS 27 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1x4d n ASN 28 N -2.66 2.08 0.29 -5.58 3.02 -1.26 -4.87 115.26 106.27 1x4d n ASN 28 Ca -0.27 -3.19 -0.18 0.00 -0.03 0.00 0.00 54.58 50.91 1x4d n ASN 28 Cb 0.99 -0.43 -0.09 0.00 -0.61 0.00 0.00 39.78 39.63 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 1.37 -1.31 -1.34 3.41 7.12 -1.92 -0.96 115.31 121.68 1x4d h LEU 29 Ca -0.01 0.10 0.39 0.00 0.13 0.00 0.00 57.88 58.49 1x4d h LEU 29 Cb 1.36 0.43 -0.05 0.00 -0.53 0.00 0.00 40.66 41.87 1x4d h LEU 29 CO 0.18 -0.65 1.24 -1.14 -0.13 0.00 0.00 178.44 177.94 1x4d n ARG 30 N -5.55 0.01 0.03 1.25 0.63 -1.26 0.21 116.66 111.97 1x4d n ARG 30 Ca -0.12 0.99 -0.22 0.00 -0.92 0.00 0.00 57.85 57.58 1x4d n ARG 30 Cb 0.45 -2.40 -0.14 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 0.56 -0.60 -0.14 5.03 -1.61 -2.89 116.97 117.33 1x4d h TYR 31 Ca 0.63 -0.41 0.10 0.00 2.58 0.00 0.00 58.73 61.64 1x4d h TYR 31 Cb 3.11 -0.02 -0.04 0.00 1.55 0.00 0.00 36.73 41.33 1x4d h TYR 31 CO 0.00 1.72 0.40 1.96 -1.32 0.00 0.00 178.16 180.92 1x4d h GLN 32 N 0.03 0.37 0.15 1.82 1.08 0.34 0.65 115.11 119.54 1x4d h GLN 32 Ca -0.38 -0.02 -0.30 0.00 -1.45 0.00 0.00 58.65 56.50 1x4d h GLN 32 Cb 2.02 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 29.37 1x4d h GLN 32 CO 0.11 0.24 -1.50 -0.07 -0.95 0.00 0.00 178.83 176.67 1x4d h LEU 33 N 0.38 0.48 -1.53 1.46 3.38 -1.47 -3.33 115.31 114.69 1x4d h LEU 33 Ca 0.28 -0.89 -0.02 0.00 0.09 0.00 0.00 57.88 57.34 1x4d h LEU 33 Cb 0.59 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1x4d h LEU 33 CO -0.07 1.67 -0.08 -0.07 0.09 0.00 0.00 178.44 179.97 1x4d h LEU 34 N -0.15 0.00 -0.17 1.67 3.38 -1.20 -2.17 115.31 116.67 1x4d h LEU 34 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1x4d h LEU 34 Cb 1.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.63 1x4d h LEU 34 CO 0.11 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1x4d n GLN 35 N -3.25 0.09 0.12 1.13 -0.00 0.22 0.64 117.38 116.33 1x4d n GLN 35 Ca -0.00 0.22 0.12 0.00 -0.00 0.00 0.00 57.00 57.34 1x4d n GLN 35 Cb 0.32 -1.64 0.22 0.00 -0.00 0.00 0.00 30.24 29.13 1x4d n GLN 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1x4d h LEU 36 N 0.00 0.00 0.00 2.61 3.38 -1.52 -3.37 115.31 116.41 1x4d h LEU 36 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1x4d h LEU 36 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1x4d h LEU 36 CO 0.00 0.03 -0.84 1.33 0.09 0.00 0.00 178.44 179.05 1x4d n VAL 37 N -2.46 0.00 -0.10 1.22 0.24 -1.03 -4.72 118.33 111.48 1x4d n VAL 37 Ca 0.04 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.21 1x4d n VAL 37 Cb 0.47 0.09 -0.09 0.00 -1.47 0.00 0.00 33.84 32.84 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 -0.37 0.00 7.34 4.39 0.05 0.48 114.58 126.46 1x4d h GLU 38 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1x4d h GLU 38 Cb 0.22 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1x4d h GLU 38 CO 0.00 -0.25 0.00 -0.35 -1.16 0.00 0.00 179.01 177.25 1x4d n PRO 39 N -5.10 0.49 -0.00 2.33 -0.04 -1.26 -1.89 135.00 129.52 1x4d n PRO 39 Ca -0.04 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.51 1x4d n PRO 39 Cb 0.31 -1.42 -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 -0.92 0.00 0.00 0.54 3.01 0.15 -5.08 117.46 115.16 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 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.30 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 1.47 -0.70 3.72 1.37 0.00 -0.15 -4.49 105.19 106.41 1x4d n GLY 41 Ca -0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 4.29 -0.49 1.61 0.11 -1.26 -4.58 120.40 116.08 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 -3.00 0.04 0.00 -1.53 0.00 0.00 36.38 31.89 1x4d s VAL 42 CO 0.00 0.24 0.75 -0.63 -3.33 0.00 0.00 175.10 172.13 1x4d s ILE 43 N -1.24 4.68 -0.13 7.04 -1.09 -1.26 -3.07 121.20 126.12 1x4d s ILE 43 Ca 0.24 0.05 -0.25 0.00 -2.23 0.00 0.00 60.65 58.47 1x4d s ILE 43 Cb -0.12 -4.35 -0.26 0.00 -1.58 0.00 0.00 42.46 36.15 1x4d s ILE 43 CO 0.16 -0.83 0.67 0.28 -1.23 0.00 0.00 174.94 173.99 1x4d h SER 44 N 9.06 0.13 -1.81 3.58 0.02 -1.53 -3.47 113.55 119.54 1x4d h SER 44 Ca -0.26 -0.89 0.20 0.00 -0.84 0.00 0.00 61.79 60.00 1x4d h SER 44 Cb 1.09 -0.04 -0.31 0.00 0.14 0.00 0.00 62.40 63.27 1x4d h SER 44 CO 0.98 1.24 0.63 0.20 -1.14 0.00 0.00 176.83 178.74 1x4d s ASN 45 N -6.57 -0.16 0.34 3.07 0.01 -0.81 -5.01 114.94 105.80 1x4d s ASN 45 Ca -0.20 0.25 0.09 0.00 -0.71 0.00 0.00 52.86 52.30 1x4d s ASN 45 Cb 0.00 1.09 -0.06 0.00 0.41 0.00 0.00 41.25 42.70 1x4d s ASN 45 CO 0.71 -0.04 -0.05 -1.38 -1.51 0.00 0.00 177.10 174.83 1x4d s HIS 46 N 1.30 2.48 -0.05 2.20 -3.43 -1.26 0.42 115.29 116.95 1x4d s HIS 46 Ca -0.07 -0.45 -0.02 0.00 -0.80 0.00 0.00 55.06 53.72 1x4d s HIS 46 Cb -0.02 -1.41 0.04 0.00 -1.43 0.00 0.00 32.58 29.75 1x4d s HIS 46 CO -0.12 0.54 0.10 -1.17 -2.00 0.00 0.00 174.74 172.09 1x4d s LEU 47 N -3.66 0.69 -0.28 5.38 0.20 0.01 -4.55 118.68 116.48 1x4d s LEU 47 Ca 0.33 0.19 0.00 0.00 0.69 0.00 0.00 54.13 55.34 1x4d s LEU 47 Cb 0.01 0.14 0.08 0.00 -0.43 0.00 0.00 46.19 45.99 1x4d s LEU 47 CO 0.18 -0.16 0.04 -0.63 -0.29 0.00 0.00 176.35 175.48 1x4d s ILE 48 N 1.38 1.26 0.28 6.68 1.01 -1.26 -1.25 121.20 129.30 1x4d s ILE 48 Ca -0.06 -1.40 -0.30 0.00 0.00 0.00 0.00 60.65 58.89 1x4d s ILE 48 Cb -0.12 -1.80 -0.10 0.00 0.01 0.00 0.00 42.46 40.45 1x4d s ILE 48 CO -0.05 -0.44 1.43 -0.76 0.00 0.00 0.00 174.94 175.13 1x4d s LEU 49 N 1.46 4.38 -0.37 2.97 1.43 -1.17 -4.90 118.68 122.47 1x4d s LEU 49 Ca 0.04 2.73 0.00 0.00 -1.03 0.00 0.00 54.13 55.87 1x4d s LEU 49 Cb -0.18 -3.63 0.34 0.00 0.03 0.00 0.00 46.19 42.75 1x4d s LEU 49 CO -0.15 -0.70 1.86 0.59 0.23 0.00 0.00 176.35 178.18 1x4d n ASN 50 N 1.82 5.56 0.00 2.29 4.13 -1.26 -4.09 115.26 123.71 1x4d n ASN 50 Ca 0.05 -3.19 0.00 0.00 1.68 0.00 0.00 54.58 53.12 1x4d n ASN 50 Cb 0.40 -0.91 0.00 0.00 -1.54 0.00 0.00 39.78 37.73 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 -0.24 0.00 -1.33 3.52 5.02 -1.26 -5.12 118.16 118.74 1x4d n LYS 51 Ca 0.40 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1x4d n LYS 51 Cb 0.85 -0.57 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 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 -2.75 0.00 -1.79 -0.18 -0.00 -1.26 -5.05 119.36 108.34 1x4d n ILE 52 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 62.75 62.38 1x4d n ILE 52 Cb 0.42 0.00 0.02 0.00 -0.00 0.00 0.00 39.64 40.08 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 -1.46 7.33 -4.25 7.28 3.02 -1.26 -4.77 115.26 121.15 1x4d n ASN 53 Ca 0.00 -3.70 -0.32 0.00 -0.03 0.00 0.00 54.58 50.52 1x4d n ASN 53 Cb 0.00 -1.10 -0.16 0.00 -0.61 0.00 0.00 39.78 37.91 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 -3.57 3.13 0.08 3.52 2.02 -1.26 -3.53 118.70 119.09 1x4d s GLU 54 Ca 0.54 -0.83 -0.04 0.00 0.02 0.00 0.00 54.97 54.66 1x4d s GLU 54 Cb 0.43 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 1x4d s GLU 54 CO -0.35 0.16 0.07 0.00 0.02 0.00 0.00 175.26 175.16 1x4d s ALA 55 N 0.41 0.32 -0.16 5.21 0.00 -1.00 -3.06 121.76 123.49 1x4d s ALA 55 Ca -0.15 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 50.70 1x4d s ALA 55 Cb -0.17 0.46 0.08 0.00 0.00 0.00 0.00 23.12 23.49 1x4d s ALA 55 CO 0.07 -0.45 0.27 -0.06 0.00 0.00 0.00 175.76 175.59 1x4d s PHE 56 N -3.93 -0.44 -0.19 0.00 0.08 -0.38 -1.92 117.98 111.20 1x4d s PHE 56 Ca 0.10 0.81 -0.08 0.00 0.12 0.00 0.00 56.93 57.88 1x4d s PHE 56 Cb 0.07 -0.09 -0.04 0.00 -0.57 0.00 0.00 43.02 42.38 1x4d s PHE 56 CO -0.08 -0.44 0.08 0.42 -0.10 0.00 0.00 175.22 175.10 1x4d s ILE 57 N 2.42 4.94 -0.26 0.64 1.01 -0.95 -0.81 121.20 128.18 1x4d s ILE 57 Ca 0.03 0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.61 1x4d s ILE 57 Cb -0.13 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 1x4d s ILE 57 CO -0.10 0.45 0.13 -0.70 0.00 0.00 0.00 174.94 174.72 1x4d s GLU 58 N 0.41 3.81 0.40 2.79 2.12 0.17 -1.39 118.70 127.00 1x4d s GLU 58 Ca 0.04 -0.40 -0.06 0.00 0.36 0.00 0.00 54.97 54.91 1x4d s GLU 58 Cb -0.12 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.73 1x4d s GLU 58 CO -0.00 -0.18 0.70 -1.64 -0.54 0.00 0.00 175.26 173.60 1x4d s MET 59 N 1.67 3.64 0.43 4.30 -1.94 -1.23 -1.42 119.30 124.75 1x4d s MET 59 Ca 0.07 0.20 0.29 0.00 -1.71 0.00 0.00 55.69 54.54 1x4d s MET 59 Cb -0.15 -2.47 1.18 0.00 2.01 0.00 0.00 34.83 35.39 1x4d s MET 59 CO 0.07 -0.01 1.87 0.00 -0.01 0.00 0.00 175.02 176.94 1x4d h ALA 60 N 0.99 1.00 -2.89 3.03 0.00 -1.89 -3.43 119.26 116.08 1x4d h ALA 60 Ca -0.47 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 1x4d h ALA 60 Cb 1.20 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.69 1x4d h ALA 60 CO 0.63 0.00 -0.46 0.95 0.00 0.00 0.00 179.25 180.37 1x4d s THR 61 N -3.51 -0.18 0.64 0.00 -4.23 -1.26 -5.01 115.64 102.09 1x4d s THR 61 Ca 0.03 0.18 0.23 0.00 -1.18 0.00 0.00 61.69 60.95 1x4d s THR 61 Cb 0.09 -0.45 0.27 0.00 1.34 0.00 0.00 72.50 73.75 1x4d s THR 61 CO 0.49 0.07 1.67 0.00 -0.54 0.00 0.00 174.62 176.32 1x4d h THR 62 N 5.96 0.09 -0.93 3.99 1.03 -1.84 0.19 112.91 121.40 1x4d h THR 62 Ca -0.31 0.00 0.04 0.00 -0.01 0.00 0.00 66.41 66.13 1x4d h THR 62 Cb 1.15 0.46 -0.05 0.00 -1.07 0.00 0.00 68.15 68.63 1x4d h THR 62 CO 0.28 0.00 0.61 -0.33 -0.01 0.00 0.00 175.52 176.07 1x4d h GLU 63 N 0.00 1.12 0.16 0.00 5.08 -1.94 -1.33 114.58 117.66 1x4d h GLU 63 Ca 0.10 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1x4d h GLU 63 Cb 1.27 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1x4d h GLU 63 CO -0.00 0.74 -0.08 -0.44 -1.00 0.00 0.00 179.01 178.23 1x4d h ASP 64 N 1.15 -0.18 -0.96 1.42 3.32 -0.83 -2.83 116.42 117.51 1x4d h ASP 64 Ca 0.37 0.01 0.20 0.00 0.02 0.00 0.00 57.03 57.63 1x4d h ASP 64 Cb 0.04 0.05 -0.18 0.00 0.22 0.00 0.00 39.33 39.45 1x4d h ASP 64 CO -0.12 0.02 -0.21 0.00 -1.72 0.00 0.00 179.24 177.22 1x4d h ALA 65 N -1.60 0.68 -0.61 3.45 0.00 -1.60 1.26 119.26 120.85 1x4d h ALA 65 Ca -0.02 0.37 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1x4d h ALA 65 Cb 0.16 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1x4d h ALA 65 CO 0.04 -0.40 0.40 1.96 0.00 0.00 0.00 179.25 181.25 1x4d h GLN 66 N 0.00 0.76 -0.10 0.00 4.20 -1.35 -2.57 115.11 116.04 1x4d h GLN 66 Ca 0.47 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 59.06 1x4d h GLN 66 Cb 0.75 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1x4d h GLN 66 CO -0.97 0.50 -0.24 0.00 -0.67 0.00 0.00 178.83 177.45 1x4d h ALA 67 N 1.63 0.17 -0.83 3.87 0.00 0.17 -2.95 119.26 121.32 1x4d h ALA 67 Ca 0.23 -0.39 0.23 0.00 0.00 0.00 0.00 54.91 54.98 1x4d h ALA 67 Cb -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1x4d h ALA 67 CO -0.06 0.15 0.58 0.00 0.00 0.00 0.00 179.25 179.92 1x4d h ALA 68 N 0.51 2.63 -0.01 0.00 0.00 -0.28 -0.45 119.26 121.66 1x4d h ALA 68 Ca -0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1x4d h ALA 68 Cb 0.84 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1x4d h ALA 68 CO 0.05 -0.88 -0.56 0.28 0.00 0.00 0.00 179.25 178.14 1x4d h VAL 69 N 0.09 1.43 0.00 0.00 2.07 -1.43 -3.12 116.25 115.30 1x4d h VAL 69 Ca 0.40 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1x4d h VAL 69 Cb 1.45 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.80 1x4d h VAL 69 CO -0.04 0.59 0.07 -0.67 0.02 0.00 0.00 177.57 177.54 1x4d n ASP 70 N -4.25 0.39 0.12 0.57 2.03 -0.21 0.12 116.55 115.32 1x4d n ASP 70 Ca -0.10 0.65 0.12 0.00 0.52 0.00 0.00 54.79 55.98 1x4d n ASP 70 Cb 0.65 -0.68 0.09 0.00 -0.72 0.00 0.00 41.12 40.46 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 -3.20 116.97 114.88 1x4d h TYR 71 Ca 0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1x4d h TYR 71 Cb 0.14 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1x4d h TYR 71 CO 0.00 0.00 -0.91 -0.92 -1.64 0.00 0.00 178.16 174.69 1x4d h TYR 72 N 0.00 0.00 0.09 -3.82 5.03 -0.40 -1.59 116.97 116.29 1x4d h TYR 72 Ca 0.00 0.00 -0.28 0.00 2.58 0.00 0.00 58.73 61.03 1x4d h TYR 72 Cb 0.93 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.20 1x4d h TYR 72 CO 0.00 0.31 -1.40 0.00 -1.32 0.00 0.00 178.16 175.75 1x4d h THR 73 N 0.00 1.29 0.03 1.81 1.03 -1.61 -3.36 112.91 112.09 1x4d h THR 73 Ca -0.06 -2.95 -0.31 0.00 -0.01 0.00 0.00 66.41 63.08 1x4d h THR 73 Cb 1.29 2.78 -0.04 0.00 -1.07 0.00 0.00 68.15 71.11 1x4d h THR 73 CO 0.03 0.83 -1.81 0.35 -0.01 0.00 0.00 175.52 174.91 1x4d n THR 74 N -3.42 1.64 -4.30 0.00 -2.24 -1.21 -4.92 114.28 99.83 1x4d n THR 74 Ca -0.12 -0.77 -0.18 0.00 -2.27 0.00 0.00 64.05 60.71 1x4d n THR 74 Cb 1.02 -1.16 -0.15 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.58 0.62 -0.06 4.28 2.01 -0.60 -5.10 115.64 114.20 1x4d s THR 75 Ca -0.09 -0.32 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 1x4d s THR 75 Cb 0.08 -0.53 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 1x4d s THR 75 CO 0.81 0.18 1.50 -2.16 -0.69 0.00 0.00 174.62 174.26 1x4d s PRO 76 N -0.09 4.22 -0.82 4.92 0.04 -1.26 -3.68 135.00 138.33 1x4d s PRO 76 Ca 0.02 2.01 -0.23 0.00 0.04 0.00 0.00 61.00 62.84 1x4d s PRO 76 Cb -0.04 -3.82 0.06 0.00 0.04 0.00 0.00 34.50 30.75 1x4d s PRO 76 CO -0.00 -0.74 1.20 0.00 0.04 0.00 0.00 177.00 177.50 1x4d s ALA 77 N 3.45 2.95 -0.47 8.56 0.00 -1.26 -4.98 121.76 130.01 1x4d s ALA 77 Ca 0.67 -1.97 -0.20 0.00 0.00 0.00 0.00 51.96 50.46 1x4d s ALA 77 Cb -0.30 -4.18 0.04 0.00 0.00 0.00 0.00 23.12 18.68 1x4d s ALA 77 CO 0.25 -3.17 0.66 -0.51 0.00 0.00 0.00 175.76 172.99 1x4d s LEU 78 N 4.54 4.62 -0.25 0.00 1.43 -1.26 -2.05 118.68 125.72 1x4d s LEU 78 Ca 0.34 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 1x4d s LEU 78 Cb -0.08 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 1x4d s LEU 78 CO 0.03 -0.85 0.39 -0.69 0.23 0.00 0.00 176.35 175.47 1x4d s VAL 79 N 2.84 5.17 0.00 -1.59 1.01 0.39 -4.07 120.40 124.16 1x4d s VAL 79 Ca 0.21 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1x4d s VAL 79 Cb -0.16 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1x4d s VAL 79 CO 0.17 0.18 0.00 0.49 0.00 0.00 0.00 175.10 175.94 1x4d n PHE 80 N 5.06 0.00 0.00 5.22 3.72 -1.26 -1.62 117.46 128.58 1x4d n PHE 80 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1x4d n PHE 80 Cb 0.51 -1.19 0.00 0.00 -0.94 0.00 0.00 39.48 37.85 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 -1.16 2.34 3.66 1.37 0.00 -1.26 -5.10 105.19 105.05 1x4d n GLY 81 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 2.57 0.59 1.61 0.00 -0.64 -4.96 119.74 118.81 1x4d s LYS 82 Ca 0.00 -0.78 -0.18 0.00 0.00 0.00 0.00 55.97 55.01 1x4d s LYS 82 Cb 0.00 -2.55 -0.04 0.00 0.00 0.00 0.00 37.83 35.25 1x4d s LYS 82 CO 0.00 0.57 1.12 -1.25 0.00 0.00 0.00 175.35 175.79 1x4d s PRO 83 N -1.99 3.14 0.11 1.78 0.04 -1.26 0.15 135.00 136.98 1x4d s PRO 83 Ca 0.23 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.82 1x4d s PRO 83 Cb -0.12 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1x4d s PRO 83 CO 0.14 -1.00 0.08 1.33 0.04 0.00 0.00 177.00 177.59 1x4d n VAL 84 N -1.72 0.00 -5.04 -0.36 0.24 -0.87 -4.78 118.33 105.80 1x4d n VAL 84 Ca 0.11 -0.79 -0.32 0.00 -2.04 0.00 0.00 64.34 61.30 1x4d n VAL 84 Cb 0.51 0.37 -0.15 0.00 -1.47 0.00 0.00 33.84 33.10 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 -2.46 2.78 -0.13 7.34 0.52 -0.41 -4.78 118.95 121.81 1x4d s ARG 85 Ca 0.12 -0.79 -0.00 0.00 -0.52 0.00 0.00 55.73 54.53 1x4d s ARG 85 Cb 0.01 -2.35 0.03 0.00 0.52 0.00 0.00 34.95 33.16 1x4d s ARG 85 CO 0.08 0.39 -0.07 0.08 0.02 0.00 0.00 175.30 175.81 1x4d s VAL 86 N -0.16 1.05 0.08 3.52 1.01 -1.26 -1.96 120.40 122.68 1x4d s VAL 86 Ca -0.02 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.60 1x4d s VAL 86 Cb -0.14 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1x4d s VAL 86 CO 0.04 0.28 -0.13 -1.00 0.00 0.00 0.00 175.10 174.29 1x4d s HIS 87 N 1.69 1.14 -0.78 5.22 3.76 -0.47 -4.96 115.29 120.89 1x4d s HIS 87 Ca 0.04 -0.51 -0.19 0.00 -0.15 0.00 0.00 55.06 54.25 1x4d s HIS 87 Cb -0.13 -0.63 0.13 0.00 1.11 0.00 0.00 32.58 33.05 1x4d s HIS 87 CO -0.08 0.04 0.94 -1.17 -0.85 0.00 0.00 174.74 173.62 1x4d s LEU 88 N -1.91 5.28 0.00 0.89 1.98 -1.26 0.02 118.68 123.67 1x4d s LEU 88 Ca -0.01 -1.80 0.00 0.00 -2.89 0.00 0.00 54.13 49.43 1x4d s LEU 88 Cb -0.08 -2.35 0.00 0.00 0.66 0.00 0.00 46.19 44.42 1x4d s LEU 88 CO 0.02 -1.07 0.00 -0.24 -1.89 0.00 0.00 176.35 173.17 1x4d n SER 89 N 6.32 0.00 -1.24 3.68 2.88 0.31 -4.95 113.62 120.62 1x4d n SER 89 Ca 0.09 -0.63 -0.01 0.00 -1.33 0.00 0.00 58.87 56.99 1x4d n SER 89 Cb 0.46 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.90 1x4d n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x4d n GLN 90 N -0.63 0.00 -2.66 -1.46 10.64 -1.26 -2.96 117.38 119.06 1x4d n GLN 90 Ca 0.00 -1.50 -0.29 0.00 -1.83 0.00 0.00 57.00 53.38 1x4d n GLN 90 Cb 0.00 0.23 -0.01 0.00 -0.86 0.00 0.00 30.24 29.60 1x4d n GLN 90 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1x4d s LYS 91 N 0.00 3.66 0.51 2.61 1.02 -1.26 -4.90 119.74 121.38 1x4d s LYS 91 Ca 0.17 0.38 0.00 0.00 0.02 0.00 0.00 55.97 56.54 1x4d s LYS 91 Cb 0.20 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 1x4d s LYS 91 CO -0.09 -0.16 0.00 0.66 -0.92 0.00 0.00 175.35 174.84 1x4d n TYR 92 N -1.87 -4.21 0.00 3.18 4.01 -1.26 -4.83 117.16 112.19 1x4d n TYR 92 Ca 0.02 2.25 0.00 0.00 -0.16 0.00 0.00 57.90 60.01 1x4d n TYR 92 Cb 0.54 -3.43 0.00 0.00 -0.31 0.00 0.00 39.34 36.15 1x4d n TYR 92 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1x4d n LYS 93 N -1.05 0.68 -0.09 -0.72 4.81 -1.26 -4.92 118.16 115.62 1x4d n LYS 93 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1x4d n LYS 93 Cb 0.04 -0.84 -0.04 0.00 0.02 0.00 0.00 35.03 34.21 1x4d n LYS 93 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1x4d n ARG 94 N -2.01 0.51 -1.62 1.64 0.00 -1.26 -5.11 116.66 108.81 1x4d n ARG 94 Ca 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 57.85 58.20 1x4d n ARG 94 Cb 0.34 -1.55 0.00 0.00 0.00 0.00 0.00 32.46 31.25 1x4d n ARG 94 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1x4d n ILE 95 N -4.49 -4.59 -3.16 5.15 5.41 -1.26 -4.87 119.36 111.56 1x4d n ILE 95 Ca -0.17 2.13 -0.00 0.00 1.00 0.00 0.00 62.75 65.71 1x4d n ILE 95 Cb 0.48 -3.09 -0.00 0.00 -0.71 0.00 0.00 39.64 36.32 1x4d n ILE 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1x4d n LYS 96 N -1.50 -0.51 -0.03 0.38 0.00 -1.26 -4.97 118.16 110.27 1x4d n LYS 96 Ca 0.00 0.90 -0.08 0.00 0.00 0.00 0.00 58.31 59.12 1x4d n LYS 96 Cb 0.17 -1.08 -0.03 0.00 0.00 0.00 0.00 35.03 34.10 1x4d n LYS 96 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1x4d n SER 97 N 1.47 0.92 0.00 3.14 7.64 -1.26 -5.11 113.62 120.42 1x4d n SER 97 Ca -0.00 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1x4d n SER 97 Cb 0.41 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1x4d n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4d n GLY 98 N 2.50 0.89 3.77 0.23 0.00 -1.26 -5.11 105.19 106.21 1x4d n GLY 98 Ca -0.15 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.24 3.45 0.02 1.61 0.04 -1.26 -5.06 135.00 133.56 1x4d s PRO 99 Ca 0.00 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1x4d s PRO 99 Cb 0.00 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1x4d s PRO 99 CO 0.00 -0.78 -0.04 0.45 0.04 0.00 0.00 177.00 176.68 1x4d s SER 100 N -1.67 0.33 0.38 6.66 0.15 -1.26 -5.11 113.70 113.18 1x4d s SER 100 Ca 0.71 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1x4d s SER 100 Cb -0.25 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1x4d s SER 100 CO 0.29 -0.28 0.00 -0.24 1.20 0.00 0.00 173.24 174.21 1x4d n SER 101 N 1.62 -6.15 0.00 5.45 2.88 -1.26 -5.34 113.62 110.82 1x4d n SER 101 Ca -0.23 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 1x4d n SER 101 Cb 0.55 -3.45 0.00 0.00 -0.75 0.00 0.00 64.21 60.56 1x4d n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42