#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 -3.09 -4.60 1.61 2.88 -1.26 -4.98 113.62 104.18 1x4d n SER 2 Ca 0.00 -0.22 -0.43 0.00 -1.33 0.00 0.00 58.87 56.89 1x4d n SER 2 Cb 0.00 -2.29 -0.03 0.00 -0.75 0.00 0.00 64.21 61.14 1x4d n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4d s SER 3 N -3.28 6.66 0.24 -3.46 0.01 -1.26 -5.03 113.70 107.59 1x4d s SER 3 Ca 0.14 0.51 0.10 0.00 1.31 0.00 0.00 55.95 58.01 1x4d s SER 3 Cb -0.06 -2.48 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 1x4d s SER 3 CO 0.29 -0.95 -0.17 -0.83 0.41 0.00 0.00 173.24 171.99 1x4d s GLY 4 N 2.01 1.64 -0.06 3.44 0.00 -1.26 -5.15 107.32 107.95 1x4d s GLY 4 Ca 0.40 -1.76 -0.02 0.00 0.00 0.00 0.00 44.72 43.33 1x4d s GLY 4 CO 0.22 -1.85 0.12 -0.45 0.00 0.00 0.00 173.10 171.14 1x4d s SER 5 N -3.40 -0.07 0.01 1.64 0.15 -1.26 -5.16 113.70 105.60 1x4d s SER 5 Ca 0.26 0.25 -0.04 0.00 0.70 0.00 0.00 55.95 57.11 1x4d s SER 5 Cb -0.02 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.42 1x4d s SER 5 CO 0.10 -0.14 0.07 -0.94 1.20 0.00 0.00 173.24 173.53 1x4d s SER 6 N 1.14 0.11 0.00 5.45 1.04 -1.26 -4.98 113.70 115.19 1x4d s SER 6 Ca -0.09 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1x4d s SER 6 Cb -0.12 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1x4d s SER 6 CO -0.05 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1x4d n GLY 7 N 1.55 0.71 2.27 7.32 0.00 -1.26 -5.02 105.19 110.76 1x4d n GLY 7 Ca -0.23 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 1x4d n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x4d n GLN 8 N 0.00 2.56 -1.37 1.61 3.00 -1.26 -5.02 117.38 116.90 1x4d n GLN 8 Ca 0.00 -3.05 -0.38 0.00 -0.01 0.00 0.00 57.00 53.56 1x4d n GLN 8 Cb 0.00 -2.20 0.03 0.00 0.00 0.00 0.00 30.24 28.07 1x4d n GLN 8 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1x4d n LYS 9 N -0.76 0.29 0.00 -1.09 5.02 -1.26 -4.62 118.16 115.74 1x4d n LYS 9 Ca 0.59 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1x4d n LYS 9 Cb 0.69 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 1x4d n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x4d n GLY 10 N 2.08 0.84 3.88 0.72 0.00 -1.26 -4.78 105.19 106.66 1x4d n GLY 10 Ca 0.10 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 1x4d n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4d s ARG 11 N 0.00 3.14 -0.28 1.61 1.81 -1.26 -5.05 118.95 118.92 1x4d s ARG 11 Ca 0.00 -0.86 0.21 0.00 -1.72 0.00 0.00 55.73 53.37 1x4d s ARG 11 Cb 0.00 -2.73 0.49 0.00 -0.45 0.00 0.00 34.95 32.26 1x4d s ARG 11 CO 0.00 0.45 1.06 1.33 -0.68 0.00 0.00 175.30 177.46 1x4d n VAL 12 N -0.93 1.19 -1.54 3.52 0.24 -1.26 -5.05 118.33 114.50 1x4d n VAL 12 Ca -0.08 -2.97 -0.18 0.00 -2.04 0.00 0.00 64.34 59.07 1x4d n VAL 12 Cb 0.56 1.10 -0.12 0.00 -1.47 0.00 0.00 33.84 33.91 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 -0.44 0.40 -4.51 7.34 2.13 -1.26 -4.84 120.64 119.47 1x4d n GLU 13 Ca 0.08 -0.52 -0.26 0.00 0.66 0.00 0.00 57.16 57.12 1x4d n GLU 13 Cb 0.81 -2.81 -0.08 0.00 0.27 0.00 0.00 31.44 29.63 1x4d n GLU 13 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1x4d s THR 14 N 10.08 0.53 0.78 6.31 -4.23 -1.26 -5.12 115.64 122.73 1x4d s THR 14 Ca 1.06 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 59.42 1x4d s THR 14 Cb -0.38 -2.32 -0.14 0.00 1.34 0.00 0.00 72.50 71.00 1x4d s THR 14 CO 0.25 0.00 -0.56 -2.11 -0.54 0.00 0.00 174.62 171.66 1x4d n ARG 15 N -0.92 0.00 -3.52 3.99 0.00 -1.26 -4.60 116.66 110.34 1x4d n ARG 15 Ca -0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.38 1x4d n ARG 15 Cb 0.65 -0.92 -0.09 0.00 -0.00 0.00 0.00 32.46 32.09 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 -1.57 2.78 -0.22 2.89 3.00 -1.26 -4.87 118.95 119.71 1x4d s ARG 16 Ca 0.41 -1.34 -0.04 0.00 0.00 0.00 0.00 55.73 54.76 1x4d s ARG 16 Cb -0.25 -3.90 0.08 0.00 0.00 0.00 0.00 34.95 30.88 1x4d s ARG 16 CO 0.72 -0.93 0.13 0.08 0.00 0.00 0.00 175.30 175.30 1x4d s VAL 17 N 1.53 -0.13 -0.38 3.52 1.01 -1.26 -3.11 120.40 121.58 1x4d s VAL 17 Ca 0.03 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 1x4d s VAL 17 Cb -0.23 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.44 1x4d s VAL 17 CO 0.05 -0.42 0.25 0.54 0.00 0.00 0.00 175.10 175.52 1x4d s VAL 18 N 2.16 4.99 -0.13 2.92 0.11 -0.84 0.17 120.40 129.77 1x4d s VAL 18 Ca 0.05 -0.65 -0.21 0.00 -2.93 0.00 0.00 61.98 58.24 1x4d s VAL 18 Cb -0.16 -3.73 -0.03 0.00 -1.53 0.00 0.00 36.38 30.92 1x4d s VAL 18 CO -0.19 -0.22 0.60 -2.28 -3.33 0.00 0.00 175.10 169.68 1x4d s HIS 19 N 1.64 3.49 -0.09 1.54 2.46 0.18 -1.61 115.29 122.90 1x4d s HIS 19 Ca 0.04 1.01 0.04 0.00 0.47 0.00 0.00 55.06 56.63 1x4d s HIS 19 Cb -0.19 -2.71 -0.00 0.00 -0.13 0.00 0.00 32.58 29.55 1x4d s HIS 19 CO 0.09 0.03 -0.23 0.42 -2.47 0.00 0.00 174.74 172.57 1x4d s ILE 20 N 1.12 1.96 0.25 0.89 1.01 -0.40 -1.40 121.20 124.63 1x4d s ILE 20 Ca 0.30 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 60.03 1x4d s ILE 20 Cb -0.16 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 1x4d s ILE 20 CO 0.13 0.54 -0.02 -0.04 0.00 0.00 0.00 174.94 175.55 1x4d s MET 21 N 0.30 1.42 0.00 2.79 -1.94 -1.10 -2.18 119.30 118.60 1x4d s MET 21 Ca -0.16 -1.72 0.00 0.00 -1.71 0.00 0.00 55.69 52.09 1x4d s MET 21 Cb -0.17 -0.81 0.00 0.00 2.01 0.00 0.00 34.83 35.86 1x4d s MET 21 CO 0.08 -0.06 0.00 -3.47 -0.01 0.00 0.00 175.02 171.56 1x4d n ASP 22 N -0.49 0.00 -4.75 3.03 2.03 -1.23 -1.50 116.55 113.63 1x4d n ASP 22 Ca -0.05 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.85 1x4d n ASP 22 Cb 0.64 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.01 1x4d n ASP 22 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1x4d s PHE 23 N -2.11 3.26 0.38 -0.67 -0.12 -1.26 -4.88 117.98 112.58 1x4d s PHE 23 Ca 0.00 1.40 0.02 0.00 -0.05 0.00 0.00 56.93 58.30 1x4d s PHE 23 Cb 0.00 -3.56 0.07 0.00 -0.63 0.00 0.00 43.02 38.91 1x4d s PHE 23 CO 0.00 -1.56 0.52 1.04 -0.05 0.00 0.00 175.22 175.17 1x4d n GLN 24 N 1.65 0.41 -4.33 1.99 1.13 -1.26 -4.74 117.38 112.23 1x4d n GLN 24 Ca 0.02 -1.58 -0.17 0.00 -1.94 0.00 0.00 57.00 53.33 1x4d n GLN 24 Cb 0.43 -0.29 -0.10 0.00 0.11 0.00 0.00 30.24 30.39 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 -3.74 1.31 0.00 -1.09 0.52 -1.26 -4.97 118.95 109.71 1x4d s ARG 25 Ca 0.36 -1.63 0.00 0.00 -0.52 0.00 0.00 55.73 53.94 1x4d s ARG 25 Cb -0.02 -0.77 0.00 0.00 0.52 0.00 0.00 34.95 34.68 1x4d s ARG 25 CO 0.23 -0.00 0.00 0.41 0.02 0.00 0.00 175.30 175.96 1x4d n GLY 26 N -0.39 -1.07 1.36 -3.53 0.00 -1.26 -5.03 105.19 95.27 1x4d n GLY 26 Ca -0.07 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 -1.25 1.61 4.81 -1.26 -4.84 118.16 117.23 1x4d n LYS 27 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 1x4d n LYS 27 Cb 0.00 -0.24 0.14 0.00 0.02 0.00 0.00 35.03 34.95 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 -3.22 5.24 0.27 3.14 3.02 -1.26 -4.65 115.26 117.78 1x4d n ASN 28 Ca 0.00 -3.65 -0.16 0.00 -0.03 0.00 0.00 54.58 50.74 1x4d n ASN 28 Cb 0.00 -0.89 -0.08 0.00 -0.61 0.00 0.00 39.78 38.20 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 1.39 -0.99 -1.55 3.41 7.12 -1.93 -1.49 115.31 121.26 1x4d h LEU 29 Ca 0.62 0.08 0.45 0.00 0.13 0.00 0.00 57.88 59.15 1x4d h LEU 29 Cb 2.07 0.32 -0.06 0.00 -0.53 0.00 0.00 40.66 42.46 1x4d h LEU 29 CO 1.27 -0.54 1.28 -1.14 -0.13 0.00 0.00 178.44 179.19 1x4d n ARG 30 N -5.49 0.01 0.04 1.25 0.63 -1.26 0.19 116.66 112.03 1x4d n ARG 30 Ca -0.11 1.01 -0.22 0.00 -0.92 0.00 0.00 57.85 57.61 1x4d n ARG 30 Cb 0.38 -2.39 -0.14 0.00 0.45 0.00 0.00 32.46 30.76 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 -0.16 -0.14 3.20 -1.66 -3.13 116.97 115.64 1x4d h TYR 31 Ca 0.74 -0.41 0.05 0.00 3.14 0.00 0.00 58.73 62.25 1x4d h TYR 31 Cb 3.30 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 41.49 1x4d h TYR 31 CO 0.00 1.53 -0.20 1.96 -1.64 0.00 0.00 178.16 179.81 1x4d h GLN 32 N -0.20 -0.24 0.50 1.82 1.08 0.26 0.33 115.11 118.66 1x4d h GLN 32 Ca -0.28 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 56.91 1x4d h GLN 32 Cb 1.84 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 29.32 1x4d h GLN 32 CO 0.12 -0.16 -0.24 -0.07 -0.95 0.00 0.00 178.83 177.53 1x4d h LEU 33 N -0.24 -0.57 -1.56 1.46 3.38 -1.56 -2.61 115.31 113.62 1x4d h LEU 33 Ca 0.11 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.24 1x4d h LEU 33 Cb 0.41 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1x4d h LEU 33 CO -0.30 -0.38 0.52 -0.07 0.09 0.00 0.00 178.44 178.30 1x4d h LEU 34 N -0.70 0.40 -0.56 1.67 3.38 -1.44 0.33 115.31 118.38 1x4d h LEU 34 Ca -0.07 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1x4d h LEU 34 Cb 0.53 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1x4d h LEU 34 CO 0.11 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.84 1x4d n GLN 35 N -4.48 0.05 0.09 1.13 1.13 0.11 0.11 117.38 115.52 1x4d n GLN 35 Ca 0.15 0.55 0.12 0.00 -1.94 0.00 0.00 57.00 55.89 1x4d n GLN 35 Cb 0.56 -1.68 0.20 0.00 0.11 0.00 0.00 30.24 29.43 1x4d n GLN 35 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1x4d h LEU 36 N 0.00 0.00 0.00 1.08 3.38 -0.37 -3.36 115.31 116.04 1x4d h LEU 36 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1x4d h LEU 36 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1x4d h LEU 36 CO 0.00 0.06 -0.04 1.33 0.09 0.00 0.00 178.44 179.88 1x4d n VAL 37 N -2.31 0.00 0.51 1.22 0.24 0.69 -4.73 118.33 113.96 1x4d n VAL 37 Ca 0.03 -0.31 -0.20 0.00 -2.04 0.00 0.00 64.34 61.82 1x4d n VAL 37 Cb 0.46 0.96 -0.10 0.00 -1.47 0.00 0.00 33.84 33.69 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 -1.26 0.00 7.34 4.39 0.60 -0.34 114.58 125.31 1x4d h GLU 38 Ca 0.00 0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1x4d h GLU 38 Cb 0.00 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1x4d h GLU 38 CO 0.00 -0.84 0.00 -0.35 -1.16 0.00 0.00 179.01 176.66 1x4d n PRO 39 N -5.65 0.49 -0.05 2.33 -0.04 -1.26 -2.20 135.00 128.62 1x4d n PRO 39 Ca -0.16 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.28 1x4d n PRO 39 Cb 0.52 -1.47 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.97 0.00 -1.99 0.54 3.72 -0.94 -5.09 117.46 112.74 1x4d n PHE 40 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1x4d n PHE 40 Cb 0.05 -0.65 0.00 0.00 -0.94 0.00 0.00 39.48 37.94 1x4d n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x4d n GLY 41 N 1.83 1.40 3.82 1.37 0.00 -0.18 -4.58 105.19 108.85 1x4d n GLY 41 Ca -0.18 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.23 4.64 -0.20 1.61 0.11 -1.26 -4.51 120.40 119.55 1x4d s VAL 42 Ca 0.00 -0.97 -0.13 0.00 -2.93 0.00 0.00 61.98 57.95 1x4d s VAL 42 Cb 0.00 -3.35 -0.05 0.00 -1.53 0.00 0.00 36.38 31.45 1x4d s VAL 42 CO 0.00 -0.07 0.26 -0.63 -3.33 0.00 0.00 175.10 171.33 1x4d s ILE 43 N -1.70 5.30 -0.23 7.04 -1.09 -1.26 -3.18 121.20 126.08 1x4d s ILE 43 Ca 0.31 0.43 -0.08 0.00 -2.23 0.00 0.00 60.65 59.09 1x4d s ILE 43 Cb -0.11 -3.60 -0.12 0.00 -1.58 0.00 0.00 42.46 37.06 1x4d s ILE 43 CO 0.24 0.34 -0.27 -1.20 -1.23 0.00 0.00 174.94 172.81 1x4d n SER 44 N 4.09 1.86 -3.57 3.58 7.64 -0.09 -4.82 113.62 122.32 1x4d n SER 44 Ca -0.12 0.16 0.01 0.00 1.01 0.00 0.00 58.87 59.93 1x4d n SER 44 Cb 0.52 -0.59 -0.06 0.00 -1.01 0.00 0.00 64.21 63.06 1x4d n SER 44 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1x4d s ASN 45 N -6.85 -0.25 0.30 6.43 0.01 -0.76 -5.01 114.94 108.82 1x4d s ASN 45 Ca -0.32 0.38 0.10 0.00 -0.71 0.00 0.00 52.86 52.30 1x4d s ASN 45 Cb 0.11 1.15 -0.05 0.00 0.41 0.00 0.00 41.25 42.87 1x4d s ASN 45 CO 0.45 -0.06 -0.04 -1.38 -1.51 0.00 0.00 177.10 174.56 1x4d s HIS 46 N 1.39 2.54 -0.08 2.20 -3.43 -1.26 0.23 115.29 116.88 1x4d s HIS 46 Ca -0.07 -0.34 -0.03 0.00 -0.80 0.00 0.00 55.06 53.82 1x4d s HIS 46 Cb -0.03 -1.28 0.04 0.00 -1.43 0.00 0.00 32.58 29.89 1x4d s HIS 46 CO -0.13 0.58 0.15 -1.17 -2.00 0.00 0.00 174.74 172.17 1x4d s LEU 47 N -3.66 0.07 -0.22 5.38 0.20 -0.26 -4.92 118.68 115.27 1x4d s LEU 47 Ca 0.33 0.30 0.01 0.00 0.69 0.00 0.00 54.13 55.46 1x4d s LEU 47 Cb -0.03 0.25 0.05 0.00 -0.43 0.00 0.00 46.19 46.02 1x4d s LEU 47 CO 0.19 -0.23 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.28 1x4d s ILE 48 N 2.10 1.81 0.22 6.68 1.01 -1.26 -1.12 121.20 130.64 1x4d s ILE 48 Ca 0.01 -1.23 -0.29 0.00 0.00 0.00 0.00 60.65 59.15 1x4d s ILE 48 Cb -0.12 -1.91 -0.09 0.00 0.01 0.00 0.00 42.46 40.35 1x4d s ILE 48 CO -0.05 0.09 0.89 -0.76 0.00 0.00 0.00 174.94 175.10 1x4d s LEU 49 N 1.30 4.63 0.17 2.97 1.43 -1.11 -4.96 118.68 123.12 1x4d s LEU 49 Ca -0.04 1.86 0.24 0.00 -1.03 0.00 0.00 54.13 55.16 1x4d s LEU 49 Cb -0.18 -3.52 0.36 0.00 0.03 0.00 0.00 46.19 42.88 1x4d s LEU 49 CO -0.07 0.17 1.37 0.78 0.23 0.00 0.00 176.35 178.83 1x4d h ASN 50 N 4.19 0.00 0.08 2.29 4.21 -2.00 -3.35 115.58 121.01 1x4d h ASN 50 Ca -0.46 -0.13 -0.00 0.00 1.21 0.00 0.00 56.30 56.92 1x4d h ASN 50 Cb 1.20 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 1x4d h ASN 50 CO 0.67 0.07 -0.04 0.11 -1.29 0.00 0.00 177.43 176.95 1x4d h LYS 51 N 0.00 -0.11 0.00 0.81 1.79 -1.97 -3.47 116.57 113.63 1x4d h LYS 51 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1x4d h LYS 51 Cb 0.80 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1x4d h LYS 51 CO 0.00 0.10 0.00 0.44 -1.08 0.00 0.00 179.45 178.91 1x4d n ILE 52 N -5.05 0.00 -2.03 1.86 -0.00 -1.26 -5.05 119.36 107.83 1x4d n ILE 52 Ca -0.08 0.00 -0.39 0.00 -0.00 0.00 0.00 62.75 62.27 1x4d n ILE 52 Cb 0.15 0.00 0.03 0.00 -0.00 0.00 0.00 39.64 39.82 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 -1.68 7.45 -4.22 7.28 3.02 -1.26 -4.66 115.26 121.18 1x4d n ASN 53 Ca 0.00 -3.76 -0.33 0.00 -0.03 0.00 0.00 54.58 50.47 1x4d n ASN 53 Cb 0.00 -1.11 -0.16 0.00 -0.61 0.00 0.00 39.78 37.90 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 -3.93 3.10 0.08 3.52 2.02 -1.26 -3.54 118.70 118.68 1x4d s GLU 54 Ca 0.50 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.68 1x4d s GLU 54 Cb 0.38 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 32.10 1x4d s GLU 54 CO -0.35 0.04 -0.06 0.00 0.02 0.00 0.00 175.26 174.92 1x4d s ALA 55 N 0.70 0.78 -0.14 5.21 0.00 -0.92 -2.76 121.76 124.63 1x4d s ALA 55 Ca -0.09 -1.22 -0.04 0.00 0.00 0.00 0.00 51.96 50.61 1x4d s ALA 55 Cb -0.16 0.17 0.06 0.00 0.00 0.00 0.00 23.12 23.20 1x4d s ALA 55 CO 0.01 -0.24 0.13 -0.06 0.00 0.00 0.00 175.76 175.60 1x4d s PHE 56 N -3.36 -0.01 -0.33 0.00 0.08 -0.28 -1.28 117.98 112.80 1x4d s PHE 56 Ca 0.07 0.09 -0.12 0.00 0.12 0.00 0.00 56.93 57.08 1x4d s PHE 56 Cb 0.04 -0.50 -0.02 0.00 -0.57 0.00 0.00 43.02 41.97 1x4d s PHE 56 CO -0.05 -0.43 0.22 0.42 -0.10 0.00 0.00 175.22 175.28 1x4d s ILE 57 N 2.22 5.24 -0.23 0.64 1.01 -0.63 -1.11 121.20 128.34 1x4d s ILE 57 Ca 0.04 -0.15 -0.17 0.00 0.00 0.00 0.00 60.65 60.38 1x4d s ILE 57 Cb -0.15 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 1x4d s ILE 57 CO -0.08 0.05 0.45 -0.70 0.00 0.00 0.00 174.94 174.66 1x4d s GLU 58 N 1.72 4.12 0.48 2.79 2.12 0.13 -1.99 118.70 128.07 1x4d s GLU 58 Ca 0.06 0.25 0.01 0.00 0.36 0.00 0.00 54.97 55.65 1x4d s GLU 58 Cb -0.17 -3.60 0.01 0.00 0.26 0.00 0.00 34.13 30.63 1x4d s GLU 58 CO 0.10 -0.19 0.70 -1.64 -0.54 0.00 0.00 175.26 173.69 1x4d s MET 59 N 1.79 2.87 0.28 4.30 -1.94 -1.18 -0.91 119.30 124.51 1x4d s MET 59 Ca 0.20 -0.63 0.15 0.00 -1.71 0.00 0.00 55.69 53.69 1x4d s MET 59 Cb -0.15 -2.55 0.16 0.00 2.01 0.00 0.00 34.83 34.30 1x4d s MET 59 CO 0.09 -0.42 1.49 0.00 -0.01 0.00 0.00 175.02 176.17 1x4d h ALA 60 N 0.30 0.70 -3.34 3.03 0.00 -1.86 -3.42 119.26 114.66 1x4d h ALA 60 Ca -0.44 -0.51 -0.37 0.00 0.00 0.00 0.00 54.91 53.59 1x4d h ALA 60 Cb 1.27 -0.09 -0.38 0.00 0.00 0.00 0.00 17.79 18.59 1x4d h ALA 60 CO 0.55 0.69 -0.74 0.95 0.00 0.00 0.00 179.25 180.70 1x4d s THR 61 N -3.07 0.02 0.32 0.00 -4.23 -1.26 -5.02 115.64 102.40 1x4d s THR 61 Ca 0.03 0.31 0.07 0.00 -1.18 0.00 0.00 61.69 60.91 1x4d s THR 61 Cb 0.09 -0.23 0.37 0.00 1.34 0.00 0.00 72.50 74.06 1x4d s THR 61 CO 0.74 0.18 1.60 0.00 -0.54 0.00 0.00 174.62 176.60 1x4d h THR 62 N 6.38 0.11 -0.90 3.99 1.03 -1.85 0.21 112.91 121.88 1x4d h THR 62 Ca -0.21 -0.03 0.26 0.00 -0.01 0.00 0.00 66.41 66.43 1x4d h THR 62 Cb 1.12 0.03 -0.17 0.00 -1.07 0.00 0.00 68.15 68.06 1x4d h THR 62 CO 0.25 0.01 0.07 -0.62 -0.01 0.00 0.00 175.52 175.22 1x4d n GLU 63 N -5.34 -0.07 0.06 0.00 -0.58 -1.26 -0.25 120.64 113.20 1x4d n GLU 63 Ca 0.27 1.34 -0.03 0.00 -0.42 0.00 0.00 57.16 58.32 1x4d n GLU 63 Cb 0.88 -2.16 -0.01 0.00 -0.57 0.00 0.00 31.44 29.58 1x4d n GLU 63 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1x4d h ASP 64 N 0.00 -0.14 -0.91 1.62 3.32 -0.82 -2.21 116.42 117.28 1x4d h ASP 64 Ca 0.57 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.76 1x4d h ASP 64 Cb 1.23 0.04 -0.15 0.00 0.22 0.00 0.00 39.33 40.67 1x4d h ASP 64 CO -0.83 -0.08 -0.40 0.00 -1.72 0.00 0.00 179.24 176.22 1x4d h ALA 65 N -1.87 0.05 -0.98 3.45 0.00 -1.28 0.81 119.26 119.44 1x4d h ALA 65 Ca -0.02 0.24 0.15 0.00 0.00 0.00 0.00 54.91 55.28 1x4d h ALA 65 Cb 0.13 1.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 1x4d h ALA 65 CO 0.03 -0.67 0.61 1.96 0.00 0.00 0.00 179.25 181.19 1x4d h GLN 66 N -0.04 0.82 0.14 0.00 4.20 -0.71 -2.28 115.11 117.24 1x4d h GLN 66 Ca 0.31 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 1x4d h GLN 66 Cb 0.58 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1x4d h GLN 66 CO -0.92 0.54 -0.07 0.00 -0.67 0.00 0.00 178.83 177.72 1x4d h ALA 67 N 1.58 -0.18 -0.86 3.87 0.00 0.11 -2.97 119.26 120.81 1x4d h ALA 67 Ca 0.51 -0.21 0.25 0.00 0.00 0.00 0.00 54.91 55.46 1x4d h ALA 67 Cb 0.68 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1x4d h ALA 67 CO -0.28 -0.38 1.03 0.00 0.00 0.00 0.00 179.25 179.61 1x4d h ALA 68 N 0.13 2.74 0.12 0.00 0.00 -0.12 1.47 119.26 123.61 1x4d h ALA 68 Ca -0.02 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 1x4d h ALA 68 Cb 0.48 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1x4d h ALA 68 CO 0.03 -1.47 -1.51 0.28 0.00 0.00 0.00 179.25 176.58 1x4d h VAL 69 N 0.00 1.18 0.00 0.00 2.07 -1.36 -3.29 116.25 114.85 1x4d h VAL 69 Ca 0.41 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 65.12 1x4d h VAL 69 Cb 2.46 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 35.00 1x4d h VAL 69 CO -0.00 0.82 0.00 -0.78 0.02 0.00 0.00 177.57 177.63 1x4d h ASP 70 N 0.07 0.00 1.47 0.57 3.58 0.21 -0.94 116.42 121.38 1x4d h ASP 70 Ca -0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.22 1x4d h ASP 70 Cb 2.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.06 1x4d h ASP 70 CO 0.16 0.00 -0.45 0.22 -2.88 0.00 0.00 179.24 176.29 1x4d h TYR 71 N 0.00 0.00 0.00 0.28 3.20 -1.53 -3.14 116.97 115.78 1x4d h TYR 71 Ca 0.00 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 1x4d h TYR 71 Cb 0.20 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1x4d h TYR 71 CO 0.00 0.00 -0.62 -0.92 -1.64 0.00 0.00 178.16 174.98 1x4d h TYR 72 N 0.00 0.00 0.00 -3.82 3.20 -1.25 0.66 116.97 115.76 1x4d h TYR 72 Ca 0.00 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.67 1x4d h TYR 72 Cb 0.96 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.20 1x4d h TYR 72 CO 0.00 0.23 -1.28 0.00 -1.64 0.00 0.00 178.16 175.47 1x4d h THR 73 N 0.00 0.84 0.00 1.81 1.03 -1.58 -3.37 112.91 111.64 1x4d h THR 73 Ca -0.03 -2.44 -0.37 0.00 -0.01 0.00 0.00 66.41 63.56 1x4d h THR 73 Cb 1.20 2.32 -0.07 0.00 -1.07 0.00 0.00 68.15 70.54 1x4d h THR 73 CO 0.03 0.48 -2.38 0.35 -0.01 0.00 0.00 175.52 173.98 1x4d n THR 74 N -3.06 1.41 -4.50 0.00 -2.24 -1.19 -4.96 114.28 99.74 1x4d n THR 74 Ca -0.08 -0.81 -0.21 0.00 -2.27 0.00 0.00 64.05 60.68 1x4d n THR 74 Cb 0.90 -0.63 -0.15 0.00 -2.10 0.00 0.00 70.33 68.35 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 -2.50 0.91 -0.06 4.28 2.01 0.22 -5.09 115.64 115.41 1x4d s THR 75 Ca -0.14 -0.48 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 1x4d s THR 75 Cb 0.07 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 1x4d s THR 75 CO 0.79 0.26 1.50 -2.16 -0.69 0.00 0.00 174.62 174.32 1x4d s PRO 76 N -0.17 4.22 -1.10 4.92 0.04 -1.26 -3.70 135.00 137.94 1x4d s PRO 76 Ca 0.03 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 1x4d s PRO 76 Cb -0.05 -3.82 0.14 0.00 0.04 0.00 0.00 34.50 30.80 1x4d s PRO 76 CO -0.00 -0.74 1.35 0.00 0.04 0.00 0.00 177.00 177.65 1x4d s ALA 77 N 3.46 3.60 -0.49 8.56 0.00 -1.26 -4.98 121.76 130.64 1x4d s ALA 77 Ca 0.67 -3.01 -0.27 0.00 0.00 0.00 0.00 51.96 49.34 1x4d s ALA 77 Cb -0.30 -4.18 0.03 0.00 0.00 0.00 0.00 23.12 18.66 1x4d s ALA 77 CO 0.25 -2.97 1.05 -0.51 0.00 0.00 0.00 175.76 173.59 1x4d s LEU 78 N 2.53 3.78 -0.25 0.00 1.43 -1.26 -2.81 118.68 122.10 1x4d s LEU 78 Ca 0.40 0.21 -0.13 0.00 -1.03 0.00 0.00 54.13 53.59 1x4d s LEU 78 Cb -0.03 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 1x4d s LEU 78 CO -0.03 -1.22 0.26 -0.69 0.23 0.00 0.00 176.35 174.90 1x4d s VAL 79 N 4.24 5.28 0.00 -1.59 1.01 0.33 -4.16 120.40 125.50 1x4d s VAL 79 Ca 0.42 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1x4d s VAL 79 Cb -0.09 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1x4d s VAL 79 CO 0.28 0.27 0.00 0.49 0.00 0.00 0.00 175.10 176.13 1x4d n PHE 80 N 4.71 0.00 0.00 5.22 3.72 -1.26 -1.44 117.46 128.41 1x4d n PHE 80 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1x4d n PHE 80 Cb 0.52 -1.18 0.00 0.00 -0.94 0.00 0.00 39.48 37.87 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 -1.21 1.52 3.47 1.37 0.00 -1.26 -5.10 105.19 103.98 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 -0.24 1.90 0.51 1.61 0.00 -0.52 -4.99 119.74 118.01 1x4d s LYS 82 Ca 0.00 -1.09 -0.21 0.00 0.00 0.00 0.00 55.97 54.67 1x4d s LYS 82 Cb 0.00 -2.14 -0.06 0.00 0.00 0.00 0.00 37.83 35.63 1x4d s LYS 82 CO 0.00 0.51 1.14 -1.25 0.00 0.00 0.00 175.35 175.75 1x4d s PRO 83 N -1.80 3.50 0.25 1.78 0.04 -1.26 0.12 135.00 137.62 1x4d s PRO 83 Ca 0.16 1.67 0.05 0.00 0.04 0.00 0.00 61.00 62.92 1x4d s PRO 83 Cb -0.10 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 1x4d s PRO 83 CO 0.08 -0.75 0.19 1.33 0.04 0.00 0.00 177.00 177.89 1x4d n VAL 84 N -1.02 0.00 -4.31 -0.36 0.24 -1.12 -4.81 118.33 106.95 1x4d n VAL 84 Ca 0.10 -1.74 -0.32 0.00 -2.04 0.00 0.00 64.34 60.34 1x4d n VAL 84 Cb 0.50 0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 33.61 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 -2.99 2.73 -0.19 7.34 0.52 -0.56 -4.79 118.95 121.00 1x4d s ARG 85 Ca 0.26 -0.64 -0.04 0.00 -0.52 0.00 0.00 55.73 54.79 1x4d s ARG 85 Cb 0.01 -2.63 0.06 0.00 0.52 0.00 0.00 34.95 32.91 1x4d s ARG 85 CO 0.19 0.62 0.07 0.08 0.02 0.00 0.00 175.30 176.28 1x4d s VAL 86 N -1.08 0.15 0.12 3.52 1.01 -1.26 -2.73 120.40 120.14 1x4d s VAL 86 Ca 0.19 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.87 1x4d s VAL 86 Cb -0.11 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1x4d s VAL 86 CO 0.10 -0.29 -0.16 -1.00 0.00 0.00 0.00 175.10 173.75 1x4d s HIS 87 N 2.02 1.51 -1.17 5.22 3.76 -0.50 -4.89 115.29 121.25 1x4d s HIS 87 Ca 0.02 -0.51 -0.11 0.00 -0.15 0.00 0.00 55.06 54.31 1x4d s HIS 87 Cb -0.16 -0.80 0.22 0.00 1.11 0.00 0.00 32.58 32.95 1x4d s HIS 87 CO -0.11 0.18 1.36 -0.11 -0.85 0.00 0.00 174.74 175.21 1x4d n LEU 88 N 0.65 5.57 0.00 0.89 -0.00 -1.26 0.52 117.00 123.37 1x4d n LEU 88 Ca -0.16 -4.76 0.00 0.00 -0.00 0.00 0.00 56.01 51.08 1x4d n LEU 88 Cb 0.56 -1.52 0.00 0.00 -0.00 0.00 0.00 43.42 42.46 1x4d n LEU 88 CO 0.26 1.11 0.00 -0.24 -0.00 0.00 0.00 177.39 178.52 1x4d n SER 89 N 3.97 0.00 -0.79 1.96 2.88 0.13 -4.90 113.62 116.87 1x4d n SER 89 Ca 0.31 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1x4d n SER 89 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.00 0.00 -1.26 -1.46 10.64 -1.26 -4.23 117.38 119.81 1x4d n GLN 90 Ca 0.00 0.00 0.17 0.00 -1.83 0.00 0.00 57.00 55.34 1x4d n GLN 90 Cb 0.00 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.34 1x4d n GLN 90 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1x4d n LYS 91 N 0.00 -2.54 -3.02 2.61 5.02 -1.26 -4.92 118.16 114.06 1x4d n LYS 91 Ca 0.00 1.67 -0.13 0.00 -2.02 0.00 0.00 58.31 57.84 1x4d n LYS 91 Cb 0.00 -3.10 0.06 0.00 -0.02 0.00 0.00 35.03 31.98 1x4d n LYS 91 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1x4d n TYR 92 N -3.88 -1.84 0.08 2.13 4.02 -1.26 -4.82 117.16 111.59 1x4d n TYR 92 Ca 0.01 0.71 -0.03 0.00 -0.01 0.00 0.00 57.90 58.59 1x4d n TYR 92 Cb 0.57 -4.14 -0.06 0.00 -0.02 0.00 0.00 39.34 35.69 1x4d n TYR 92 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1x4d h LYS 93 N -1.20 0.00 0.00 -0.72 3.64 -1.95 -3.38 116.57 112.96 1x4d h LYS 93 Ca -0.48 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.78 1x4d h LYS 93 Cb 1.26 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 1x4d h LYS 93 CO 0.37 0.68 -1.12 -2.13 -2.27 0.00 0.00 179.45 174.99 1x4d n ARG 94 N -3.22 0.52 0.00 1.90 0.63 -1.26 -4.94 116.66 110.29 1x4d n ARG 94 Ca -0.02 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 1x4d n ARG 94 Cb 0.86 -1.62 0.00 0.00 0.45 0.00 0.00 32.46 32.16 1x4d n ARG 94 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1x4d n ILE 95 N -4.48 0.00 -3.08 5.15 5.41 -1.26 -4.48 119.36 116.62 1x4d n ILE 95 Ca -0.22 0.00 -0.45 0.00 1.00 0.00 0.00 62.75 63.08 1x4d n ILE 95 Cb 0.52 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.42 1x4d n ILE 95 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1x4d s LYS 96 N 0.00 3.47 0.07 0.38 2.47 -1.26 -5.01 119.74 119.86 1x4d s LYS 96 Ca 0.00 -1.84 0.09 0.00 -1.56 0.00 0.00 55.97 52.66 1x4d s LYS 96 Cb 0.00 -4.62 -0.03 0.00 -1.46 0.00 0.00 37.83 31.72 1x4d s LYS 96 CO 0.00 -1.59 -0.25 0.45 0.16 0.00 0.00 175.35 174.12 1x4d s SER 97 N 3.20 3.01 0.60 1.43 0.15 -1.26 -5.07 113.70 115.77 1x4d s SER 97 Ca 0.24 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1x4d s SER 97 Cb -0.11 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 1x4d s SER 97 CO -0.05 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.20 1x4d n GLY 98 N 1.50 0.84 0.27 9.45 0.00 -1.26 -3.58 105.19 112.41 1x4d n GLY 98 Ca -0.17 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 1x4d n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4d h PRO 99 N 0.00 0.93 0.00 1.61 0.13 -2.03 -3.47 132.00 129.17 1x4d h PRO 99 Ca 0.00 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1x4d h PRO 99 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1x4d h PRO 99 CO 0.00 1.15 0.00 0.45 -0.23 0.00 0.00 178.00 179.37 1x4d n SER 100 N -4.05 -0.10 -3.78 1.44 2.88 -1.23 -5.16 113.62 103.60 1x4d n SER 100 Ca -0.02 0.19 -0.14 0.00 -1.33 0.00 0.00 58.87 57.58 1x4d n SER 100 Cb 0.55 0.29 -0.07 0.00 -0.75 0.00 0.00 64.21 64.22 1x4d n SER 100 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4d s SER 101 N -1.37 0.59 0.00 -3.46 0.15 -1.26 -4.82 113.70 103.53 1x4d s SER 101 Ca 0.00 -1.40 0.01 0.00 0.70 0.00 0.00 55.95 55.26 1x4d s SER 101 Cb 0.00 0.52 0.01 0.00 -1.71 0.00 0.00 66.02 64.84 1x4d s SER 101 CO 0.00 -1.04 0.54 0.61 1.20 0.00 0.00 173.24 174.55