#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 0.62 -4.59 1.61 3.41 -1.26 -4.90 113.62 108.51 1x4d n SER 2 Ca 0.00 1.14 -0.40 0.00 -0.26 0.00 0.00 58.87 59.36 1x4d n SER 2 Cb 0.00 -1.06 -0.09 0.00 -0.26 0.00 0.00 64.21 62.80 1x4d n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x4d s SER 3 N 0.06 6.24 0.00 4.04 0.15 -1.26 -4.98 113.70 117.96 1x4d s SER 3 Ca 0.84 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.63 1x4d s SER 3 Cb -1.07 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 61.03 1x4d s SER 3 CO 0.53 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.34 1x4d n GLY 4 N 4.76 0.53 1.18 9.45 0.00 -1.26 -5.14 105.19 114.72 1x4d n GLY 4 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1x4d n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4d n SER 5 N 0.00 -6.51 -3.66 1.61 7.64 -1.26 -5.04 113.62 106.39 1x4d n SER 5 Ca 0.00 1.16 -0.09 0.00 1.01 0.00 0.00 58.87 60.95 1x4d n SER 5 Cb 0.00 -3.44 -0.09 0.00 -1.01 0.00 0.00 64.21 59.66 1x4d n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4d s SER 6 N -3.90 -0.35 0.00 6.43 0.15 -1.26 -4.98 113.70 109.78 1x4d s SER 6 Ca 0.00 1.01 0.00 0.00 0.70 0.00 0.00 55.95 57.66 1x4d s SER 6 Cb 0.00 1.27 0.00 0.00 -1.71 0.00 0.00 66.02 65.58 1x4d s SER 6 CO 0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1x4d n GLY 7 N 5.14 1.67 5.00 9.45 0.00 -1.26 -4.78 105.19 120.41 1x4d n GLY 7 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1x4d n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1x4d n GLN 8 N 0.00 0.00 -2.82 1.61 -0.06 -1.26 -4.75 117.38 110.10 1x4d n GLN 8 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.99 1x4d n GLN 8 Cb 0.00 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.17 1x4d n GLN 8 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1x4d n LYS 9 N 0.00 -2.92 0.00 3.69 5.02 -1.26 -5.05 118.16 117.64 1x4d n LYS 9 Ca 0.00 2.41 0.00 0.00 -2.02 0.00 0.00 58.31 58.70 1x4d n LYS 9 Cb 0.00 -4.14 0.00 0.00 -0.02 0.00 0.00 35.03 30.87 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 1.14 2.10 3.84 0.72 0.00 -1.26 -5.16 105.19 106.56 1x4d n GLY 10 Ca -0.08 0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.18 2.62 -0.12 1.61 3.52 -1.26 -5.09 118.95 120.05 1x4d s ARG 11 Ca 0.00 0.64 -0.14 0.00 -0.13 0.00 0.00 55.73 56.10 1x4d s ARG 11 Cb 0.00 -1.98 0.04 0.00 -1.56 0.00 0.00 34.95 31.45 1x4d s ARG 11 CO 0.00 -1.24 0.38 0.14 -0.81 0.00 0.00 175.30 173.77 1x4d s VAL 12 N -3.21 0.01 -0.41 7.11 -7.23 -1.26 -5.10 120.40 110.31 1x4d s VAL 12 Ca 0.59 -0.09 0.06 0.00 -1.81 0.00 0.00 61.98 60.73 1x4d s VAL 12 Cb -0.13 -0.57 0.20 0.00 0.56 0.00 0.00 36.38 36.44 1x4d s VAL 12 CO 0.53 -0.05 0.43 1.21 -0.31 0.00 0.00 175.10 176.91 1x4d n GLU 13 N 2.53 0.40 -3.94 4.82 2.13 -1.26 -5.09 120.64 120.23 1x4d n GLU 13 Ca -0.15 -3.14 -0.25 0.00 0.66 0.00 0.00 57.16 54.29 1x4d n GLU 13 Cb 0.57 -1.49 -0.17 0.00 0.27 0.00 0.00 31.44 30.62 1x4d n GLU 13 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1x4d s THR 14 N -0.37 0.76 0.00 6.31 -1.32 -1.26 -5.10 115.64 114.67 1x4d s THR 14 Ca 0.34 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 1x4d s THR 14 Cb 0.09 -0.82 0.00 0.00 -1.51 0.00 0.00 72.50 70.26 1x4d s THR 14 CO -0.16 0.32 0.00 0.54 -2.21 0.00 0.00 174.62 173.10 1x4d n ARG 15 N 4.84 0.00 -3.43 7.08 5.12 -1.26 -4.72 116.66 124.28 1x4d n ARG 15 Ca -0.13 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.63 1x4d n ARG 15 Cb 0.50 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.69 1x4d n ARG 15 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1x4d s ARG 16 N 0.00 0.27 -0.11 5.56 3.00 -1.26 -4.35 118.95 122.06 1x4d s ARG 16 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 55.73 55.81 1x4d s ARG 16 Cb 0.00 -0.87 0.05 0.00 0.00 0.00 0.00 34.95 34.13 1x4d s ARG 16 CO 0.00 -0.81 0.11 0.08 0.00 0.00 0.00 175.30 174.68 1x4d s VAL 17 N 2.38 -0.15 -0.39 3.52 1.01 -1.26 -3.28 120.40 122.22 1x4d s VAL 17 Ca 0.09 0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.14 1x4d s VAL 17 Cb -0.15 -0.37 0.06 0.00 0.00 0.00 0.00 36.38 35.91 1x4d s VAL 17 CO -0.21 -0.02 0.21 0.54 0.00 0.00 0.00 175.10 175.62 1x4d s VAL 18 N 2.20 4.22 -0.01 2.92 0.11 -0.50 -0.10 120.40 129.25 1x4d s VAL 18 Ca 0.04 -1.20 -0.27 0.00 -2.93 0.00 0.00 61.98 57.62 1x4d s VAL 18 Cb -0.14 -3.48 -0.04 0.00 -1.53 0.00 0.00 36.38 31.19 1x4d s VAL 18 CO -0.06 -0.37 0.86 -2.28 -3.33 0.00 0.00 175.10 169.92 1x4d s HIS 19 N 1.45 3.65 -0.06 1.54 2.46 0.17 -2.09 115.29 122.41 1x4d s HIS 19 Ca 0.02 1.53 0.03 0.00 0.47 0.00 0.00 55.06 57.10 1x4d s HIS 19 Cb -0.21 -2.98 0.01 0.00 -0.13 0.00 0.00 32.58 29.27 1x4d s HIS 19 CO 0.03 0.07 -0.13 0.42 -2.47 0.00 0.00 174.74 172.66 1x4d s ILE 20 N 0.76 1.21 0.33 0.89 1.01 -0.43 -0.90 121.20 124.05 1x4d s ILE 20 Ca 0.45 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.60 1x4d s ILE 20 Cb -0.20 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 1x4d s ILE 20 CO 0.24 0.37 0.14 0.23 0.00 0.00 0.00 174.94 175.91 1x4d n MET 21 N 3.65 0.60 -0.92 2.79 2.81 -1.04 -1.91 117.12 123.08 1x4d n MET 21 Ca -0.22 -2.84 0.00 0.00 -1.81 0.00 0.00 57.70 52.84 1x4d n MET 21 Cb 0.52 1.65 0.00 0.00 -0.71 0.00 0.00 33.22 34.68 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 -1.66 -4.55 -4.80 7.83 9.92 -1.25 -2.17 116.55 119.88 1x4d n ASP 22 Ca -0.03 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.85 1x4d n ASP 22 Cb 0.51 -2.88 -0.06 0.00 -0.64 0.00 0.00 41.12 38.04 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 -1.21 3.60 0.24 1.24 -0.12 -1.26 -4.64 117.98 115.84 1x4d s PHE 23 Ca 0.00 0.79 0.01 0.00 -0.05 0.00 0.00 56.93 57.68 1x4d s PHE 23 Cb 0.00 -2.28 0.05 0.00 -0.63 0.00 0.00 43.02 40.15 1x4d s PHE 23 CO 0.00 0.48 0.33 1.04 -0.05 0.00 0.00 175.22 177.02 1x4d n GLN 24 N 2.60 0.54 -4.38 1.99 1.13 -1.26 -4.72 117.38 113.29 1x4d n GLN 24 Ca -0.13 -1.02 -0.19 0.00 -1.94 0.00 0.00 57.00 53.71 1x4d n GLN 24 Cb 0.52 -0.18 -0.10 0.00 0.11 0.00 0.00 30.24 30.60 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 1.60 0.00 -1.09 0.52 -1.26 -4.98 118.95 110.53 1x4d s ARG 25 Ca 0.23 -1.91 0.00 0.00 -0.52 0.00 0.00 55.73 53.53 1x4d s ARG 25 Cb -0.01 -0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.11 1x4d s ARG 25 CO 0.15 -0.36 0.00 0.41 0.02 0.00 0.00 175.30 175.51 1x4d n GLY 26 N -0.61 -1.08 3.40 -3.53 0.00 -1.26 -5.02 105.19 97.08 1x4d n GLY 26 Ca -0.01 0.42 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 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 3.53 -1.48 1.61 -2.85 -1.26 -4.54 119.74 114.75 1x4d s LYS 27 Ca 0.00 -0.56 -0.07 0.00 -1.00 0.00 0.00 55.97 54.34 1x4d s LYS 27 Cb 0.00 -3.06 0.02 0.00 -2.06 0.00 0.00 37.83 32.73 1x4d s LYS 27 CO 0.00 -0.07 0.79 0.09 0.10 0.00 0.00 175.35 176.26 1x4d n ASN 28 N 4.47 -5.94 0.45 0.03 4.13 -1.26 -4.92 115.26 112.22 1x4d n ASN 28 Ca -0.17 -0.40 -0.18 0.00 1.68 0.00 0.00 54.58 55.51 1x4d n ASN 28 Cb 0.51 -4.77 -0.08 0.00 -1.54 0.00 0.00 39.78 33.90 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 -1.77 -0.97 -1.00 3.41 7.12 -1.94 -2.56 115.31 117.59 1x4d h LEU 29 Ca -0.54 0.03 0.37 0.00 0.13 0.00 0.00 57.88 57.87 1x4d h LEU 29 Cb 1.36 0.25 -0.12 0.00 -0.53 0.00 0.00 40.66 41.62 1x4d h LEU 29 CO 0.57 -0.67 0.61 -1.14 -0.13 0.00 0.00 178.44 177.69 1x4d n ARG 30 N -5.26 -0.04 -0.04 1.25 0.63 -1.26 0.20 116.66 112.15 1x4d n ARG 30 Ca -0.14 1.04 -0.14 0.00 -0.92 0.00 0.00 57.85 57.68 1x4d n ARG 30 Cb 0.45 -1.98 -0.09 0.00 0.45 0.00 0.00 32.46 31.29 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 0.42 -1.06 -0.14 5.03 -1.88 -1.94 116.97 117.40 1x4d h TYR 31 Ca 0.70 -0.17 0.29 0.00 2.58 0.00 0.00 58.73 62.12 1x4d h TYR 31 Cb 2.11 -0.07 -0.11 0.00 1.55 0.00 0.00 36.73 40.21 1x4d h TYR 31 CO -0.01 0.87 0.66 1.96 -1.32 0.00 0.00 178.16 180.32 1x4d h GLN 32 N -0.15 0.39 0.15 1.82 1.08 0.28 0.88 115.11 119.55 1x4d h GLN 32 Ca -0.01 -0.02 -0.22 0.00 -1.45 0.00 0.00 58.65 56.95 1x4d h GLN 32 Cb 0.88 -0.09 0.02 0.00 -0.05 0.00 0.00 27.48 28.24 1x4d h GLN 32 CO 0.05 0.26 -1.02 -0.07 -0.95 0.00 0.00 178.83 177.11 1x4d h LEU 33 N 0.40 0.48 -2.02 1.46 3.38 -1.45 -3.29 115.31 114.28 1x4d h LEU 33 Ca 0.65 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1x4d h LEU 33 Cb 1.57 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1x4d h LEU 33 CO -0.39 1.48 0.00 -0.07 0.09 0.00 0.00 178.44 179.54 1x4d h LEU 34 N -0.31 0.00 -0.17 1.67 3.38 -0.24 -1.50 115.31 118.14 1x4d h LEU 34 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1x4d h LEU 34 Cb 1.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1x4d h LEU 34 CO 0.14 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1x4d n GLN 35 N -3.07 0.13 0.10 1.13 -0.00 0.29 0.69 117.38 116.65 1x4d n GLN 35 Ca -0.01 0.22 0.12 0.00 -0.00 0.00 0.00 57.00 57.33 1x4d n GLN 35 Cb 0.22 -1.69 0.25 0.00 -0.00 0.00 0.00 30.24 29.02 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 -1.39 -3.37 115.31 116.54 1x4d h LEU 36 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1x4d h LEU 36 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1x4d h LEU 36 CO 0.00 0.04 -0.78 1.33 0.09 0.00 0.00 178.44 179.12 1x4d n VAL 37 N -2.32 0.00 -0.15 1.22 0.24 -1.08 -4.73 118.33 111.51 1x4d n VAL 37 Ca 0.04 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.22 1x4d n VAL 37 Cb 0.45 0.03 -0.09 0.00 -1.47 0.00 0.00 33.84 32.77 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 0.11 0.68 114.58 126.80 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 0.24 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 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 -5.05 0.48 -0.01 2.33 -0.04 -1.26 -1.96 135.00 129.49 1x4d n PRO 39 Ca -0.03 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.51 1x4d n PRO 39 Cb 0.29 -1.40 -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 -0.90 0.00 -1.75 0.54 3.72 0.21 -5.09 117.46 114.19 1x4d n PHE 40 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1x4d n PHE 40 Cb 0.04 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 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 1.63 -0.64 3.83 1.37 0.00 0.49 -4.54 105.19 107.34 1x4d n GLY 41 Ca -0.02 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.46 4.99 -0.48 1.61 0.11 -1.26 -4.48 120.40 117.44 1x4d s VAL 42 Ca 0.00 -0.37 -0.21 0.00 -2.93 0.00 0.00 61.98 58.46 1x4d s VAL 42 Cb 0.00 -3.33 0.04 0.00 -1.53 0.00 0.00 36.38 31.56 1x4d s VAL 42 CO 0.00 0.29 0.72 -0.63 -3.33 0.00 0.00 175.10 172.16 1x4d s ILE 43 N -1.29 4.72 -0.11 7.04 -1.09 -1.26 -2.91 121.20 126.30 1x4d s ILE 43 Ca 0.26 0.06 -0.23 0.00 -2.23 0.00 0.00 60.65 58.52 1x4d s ILE 43 Cb -0.12 -4.32 -0.27 0.00 -1.58 0.00 0.00 42.46 36.17 1x4d s ILE 43 CO 0.18 -0.77 0.70 0.28 -1.23 0.00 0.00 174.94 174.10 1x4d h SER 44 N 9.01 0.25 -1.86 3.58 0.02 -1.45 -3.47 113.55 119.62 1x4d h SER 44 Ca -0.26 -0.89 0.19 0.00 -0.84 0.00 0.00 61.79 59.99 1x4d h SER 44 Cb 1.09 -0.08 -0.31 0.00 0.14 0.00 0.00 62.40 63.24 1x4d h SER 44 CO 0.96 1.33 0.62 0.20 -1.14 0.00 0.00 176.83 178.80 1x4d s ASN 45 N -6.74 -0.18 0.39 3.07 0.01 -0.89 -5.01 114.94 105.59 1x4d s ASN 45 Ca -0.18 0.28 0.08 0.00 -0.71 0.00 0.00 52.86 52.33 1x4d s ASN 45 Cb 0.01 1.10 -0.05 0.00 0.41 0.00 0.00 41.25 42.72 1x4d s ASN 45 CO 0.74 -0.04 0.16 -1.38 -1.51 0.00 0.00 177.10 175.07 1x4d s HIS 46 N 1.30 2.62 -0.09 2.20 -3.43 -1.26 0.35 115.29 116.99 1x4d s HIS 46 Ca -0.07 -0.52 -0.04 0.00 -0.80 0.00 0.00 55.06 53.63 1x4d s HIS 46 Cb -0.02 -1.85 0.05 0.00 -1.43 0.00 0.00 32.58 29.32 1x4d s HIS 46 CO -0.12 0.24 0.20 -1.17 -2.00 0.00 0.00 174.74 171.89 1x4d s LEU 47 N -3.88 0.23 -0.13 5.38 0.20 0.42 -4.39 118.68 116.51 1x4d s LEU 47 Ca 0.40 0.42 -0.00 0.00 0.69 0.00 0.00 54.13 55.64 1x4d s LEU 47 Cb 0.02 0.50 0.02 0.00 -0.43 0.00 0.00 46.19 46.30 1x4d s LEU 47 CO 0.22 -0.20 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.35 1x4d s ILE 48 N 1.74 1.26 0.37 6.68 1.01 -1.26 -1.16 121.20 129.84 1x4d s ILE 48 Ca -0.04 -0.45 -0.13 0.00 0.00 0.00 0.00 60.65 60.03 1x4d s ILE 48 Cb -0.11 -1.24 -0.08 0.00 0.01 0.00 0.00 42.46 41.04 1x4d s ILE 48 CO -0.07 0.40 0.76 -0.76 0.00 0.00 0.00 174.94 175.27 1x4d s LEU 49 N 1.61 3.94 0.00 2.97 1.43 -1.18 -4.98 118.68 122.47 1x4d s LEU 49 Ca 0.05 1.23 0.22 0.00 -1.03 0.00 0.00 54.13 54.60 1x4d s LEU 49 Cb -0.13 -4.08 0.15 0.00 0.03 0.00 0.00 46.19 42.17 1x4d s LEU 49 CO -0.09 -0.31 1.19 0.59 0.23 0.00 0.00 176.35 177.96 1x4d n ASN 50 N -0.82 2.74 -0.02 2.29 4.13 -1.26 -4.39 115.26 117.92 1x4d n ASN 50 Ca 0.03 -1.87 -0.20 0.00 1.68 0.00 0.00 54.58 54.23 1x4d n ASN 50 Cb 0.54 0.07 -0.13 0.00 -1.54 0.00 0.00 39.78 38.71 1x4d n ASN 50 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1x4d h LYS 51 N 4.10 0.15 0.00 3.52 6.56 -1.97 -3.49 116.57 125.45 1x4d h LYS 51 Ca 0.00 -0.26 -0.09 0.00 -1.06 0.00 0.00 60.65 59.25 1x4d h LYS 51 Cb 0.90 0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 32.64 1x4d h LYS 51 CO 0.00 1.12 -0.08 0.44 -2.06 0.00 0.00 179.45 178.87 1x4d n ILE 52 N -4.21 0.00 -1.85 1.86 -0.00 -1.26 -5.05 119.36 108.84 1x4d n ILE 52 Ca -0.21 -0.41 -0.36 0.00 -0.00 0.00 0.00 62.75 61.77 1x4d n ILE 52 Cb 0.75 0.17 0.01 0.00 -0.00 0.00 0.00 39.64 40.56 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 -2.30 7.22 -4.29 7.28 3.02 -1.26 -4.67 115.26 120.27 1x4d n ASN 53 Ca -0.00 -3.61 -0.33 0.00 -0.03 0.00 0.00 54.58 50.62 1x4d n ASN 53 Cb 0.10 -1.14 -0.16 0.00 -0.61 0.00 0.00 39.78 37.98 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 -3.27 3.22 0.08 3.52 2.02 -1.26 -3.82 118.70 119.19 1x4d s GLU 54 Ca 0.53 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.76 1x4d s GLU 54 Cb 0.39 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 1x4d s GLU 54 CO -0.32 0.14 -0.06 0.00 0.02 0.00 0.00 175.26 175.04 1x4d s ALA 55 N 0.49 0.82 -0.12 5.21 0.00 -0.80 -3.09 121.76 124.27 1x4d s ALA 55 Ca -0.12 -1.21 -0.04 0.00 0.00 0.00 0.00 51.96 50.60 1x4d s ALA 55 Cb -0.16 0.15 0.06 0.00 0.00 0.00 0.00 23.12 23.17 1x4d s ALA 55 CO 0.05 -0.21 0.17 -0.06 0.00 0.00 0.00 175.76 175.71 1x4d s PHE 56 N -3.21 -0.18 -0.20 0.00 0.08 -0.31 -1.32 117.98 112.85 1x4d s PHE 56 Ca 0.07 0.47 -0.08 0.00 0.12 0.00 0.00 56.93 57.51 1x4d s PHE 56 Cb 0.03 -0.31 -0.04 0.00 -0.57 0.00 0.00 43.02 42.13 1x4d s PHE 56 CO -0.04 -0.36 0.07 0.42 -0.10 0.00 0.00 175.22 175.21 1x4d s ILE 57 N 2.29 4.71 -0.31 0.64 1.01 -0.89 -0.44 121.20 128.21 1x4d s ILE 57 Ca 0.04 -0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.51 1x4d s ILE 57 Cb -0.13 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 1x4d s ILE 57 CO -0.07 0.42 0.24 -0.70 0.00 0.00 0.00 174.94 174.82 1x4d s GLU 58 N 0.76 3.70 0.32 2.79 2.12 0.16 -1.41 118.70 127.13 1x4d s GLU 58 Ca 0.04 -0.47 -0.10 0.00 0.36 0.00 0.00 54.97 54.80 1x4d s GLU 58 Cb -0.13 -3.74 -0.07 0.00 0.26 0.00 0.00 34.13 30.45 1x4d s GLU 58 CO 0.02 -0.34 0.65 -1.64 -0.54 0.00 0.00 175.26 173.41 1x4d s MET 59 N 1.78 3.79 0.55 4.30 -1.94 -1.21 -1.19 119.30 125.37 1x4d s MET 59 Ca 0.07 0.33 0.29 0.00 -1.71 0.00 0.00 55.69 54.68 1x4d s MET 59 Cb -0.17 -2.53 1.61 0.00 2.01 0.00 0.00 34.83 35.76 1x4d s MET 59 CO 0.11 0.15 2.14 0.00 -0.01 0.00 0.00 175.02 177.41 1x4d h ALA 60 N 1.87 1.34 -3.41 3.03 0.00 -1.88 -3.42 119.26 116.79 1x4d h ALA 60 Ca -0.47 -0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.13 1x4d h ALA 60 Cb 1.18 -0.01 -0.31 0.00 0.00 0.00 0.00 17.79 18.65 1x4d h ALA 60 CO 0.66 0.09 -0.64 0.95 0.00 0.00 0.00 179.25 180.32 1x4d s THR 61 N -4.32 -0.04 0.64 0.00 -4.23 -1.26 -5.01 115.64 101.42 1x4d s THR 61 Ca -0.04 0.13 0.32 0.00 -1.18 0.00 0.00 61.69 60.92 1x4d s THR 61 Cb 0.14 -0.17 0.35 0.00 1.34 0.00 0.00 72.50 74.16 1x4d s THR 61 CO 0.56 0.05 2.02 0.00 -0.54 0.00 0.00 174.62 176.72 1x4d h THR 62 N 5.77 0.15 0.00 3.99 1.03 -1.81 0.19 112.91 122.22 1x4d h THR 62 Ca -0.38 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 65.99 1x4d h THR 62 Cb 1.16 0.74 -0.00 0.00 -1.07 0.00 0.00 68.15 68.98 1x4d h THR 62 CO 0.45 0.00 -0.14 -0.33 -0.01 0.00 0.00 175.52 175.48 1x4d h GLU 63 N 0.00 0.00 0.00 0.00 5.08 -1.95 -1.86 114.58 115.86 1x4d h GLU 63 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1x4d h GLU 63 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1x4d h GLU 63 CO -0.00 0.14 -0.19 -0.44 -1.00 0.00 0.00 179.01 177.52 1x4d h ASP 64 N 0.00 0.00 -0.43 1.42 3.32 -0.85 -3.17 116.42 116.71 1x4d h ASP 64 Ca -0.00 -0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.07 1x4d h ASP 64 Cb 0.36 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.82 1x4d h ASP 64 CO 0.02 0.63 -0.23 0.00 -1.72 0.00 0.00 179.24 177.94 1x4d h ALA 65 N -0.93 0.06 -0.91 3.45 0.00 -1.56 0.59 119.26 119.95 1x4d h ALA 65 Ca -0.01 0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.14 1x4d h ALA 65 Cb 0.25 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 1x4d h ALA 65 CO -0.01 -0.59 0.55 1.96 0.00 0.00 0.00 179.25 181.17 1x4d h GLN 66 N -0.15 0.89 -0.40 0.00 4.20 -1.52 -1.82 115.11 116.30 1x4d h GLN 66 Ca 0.20 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 1x4d h GLN 66 Cb 0.46 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1x4d h GLN 66 CO -0.51 0.59 0.10 0.00 -0.67 0.00 0.00 178.83 178.33 1x4d h ALA 67 N 1.49 0.53 -0.71 3.87 0.00 -1.00 -2.49 119.26 120.95 1x4d h ALA 67 Ca 0.44 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 55.36 1x4d h ALA 67 Cb 0.39 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1x4d h ALA 67 CO -0.25 0.20 0.51 0.00 0.00 0.00 0.00 179.25 179.71 1x4d h ALA 68 N 0.95 2.56 0.17 0.00 0.00 -0.11 -0.43 119.26 122.41 1x4d h ALA 68 Ca 0.13 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.71 1x4d h ALA 68 Cb 0.30 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.16 1x4d h ALA 68 CO 0.00 -0.77 -1.30 0.28 0.00 0.00 0.00 179.25 177.47 1x4d h VAL 69 N 0.08 1.30 0.00 0.00 2.07 -1.20 -3.19 116.25 115.31 1x4d h VAL 69 Ca 0.34 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 65.32 1x4d h VAL 69 Cb 1.26 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.89 1x4d h VAL 69 CO -0.03 0.77 0.02 -0.67 0.02 0.00 0.00 177.57 177.67 1x4d n ASP 70 N -3.80 0.43 0.08 0.57 2.03 -0.20 -0.24 116.55 115.43 1x4d n ASP 70 Ca -0.15 0.69 0.11 0.00 0.52 0.00 0.00 54.79 55.97 1x4d n ASP 70 Cb 1.02 -0.74 -0.01 0.00 -0.72 0.00 0.00 41.12 40.67 1x4d n ASP 70 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x4d n TYR 71 N -2.08 0.80 0.34 -0.67 9.36 -1.05 -3.72 117.16 120.14 1x4d n TYR 71 Ca -0.01 0.23 0.12 0.00 3.32 0.00 0.00 57.90 61.56 1x4d n TYR 71 Cb 0.04 -0.86 0.12 0.00 -0.63 0.00 0.00 39.34 38.02 1x4d n TYR 71 CO 0.00 0.00 0.00 -0.92 0.22 0.00 0.00 176.86 176.16 1x4d h TYR 72 N 0.00 0.00 0.01 2.98 3.20 -0.69 -1.02 116.97 121.45 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 0.97 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.20 1x4d h TYR 72 CO 0.00 0.00 -1.40 0.00 -1.64 0.00 0.00 178.16 175.12 1x4d h THR 73 N 0.00 1.23 0.00 1.81 1.03 -1.62 -3.37 112.91 111.99 1x4d h THR 73 Ca 0.00 -3.01 -0.34 0.00 -0.01 0.00 0.00 66.41 63.05 1x4d h THR 73 Cb 0.88 2.62 -0.06 0.00 -1.07 0.00 0.00 68.15 70.52 1x4d h THR 73 CO 0.00 0.71 -2.33 0.35 -0.01 0.00 0.00 175.52 174.24 1x4d n THR 74 N -3.20 1.28 -4.74 0.00 -2.24 -1.24 -4.95 114.28 99.19 1x4d n THR 74 Ca -0.10 -0.83 -0.24 0.00 -2.27 0.00 0.00 64.05 60.61 1x4d n THR 74 Cb 1.00 -0.44 -0.15 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.26 -0.03 4.28 2.01 -0.38 -5.11 115.64 115.08 1x4d s THR 75 Ca -0.10 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 60.94 1x4d s THR 75 Cb 0.07 -1.06 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 1x4d s THR 75 CO 0.84 0.36 1.48 -2.16 -0.69 0.00 0.00 174.62 174.45 1x4d s PRO 76 N -0.22 4.24 -0.90 4.92 0.04 -1.26 -3.83 135.00 137.98 1x4d s PRO 76 Ca 0.03 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.89 1x4d s PRO 76 Cb -0.08 -3.73 0.11 0.00 0.04 0.00 0.00 34.50 30.84 1x4d s PRO 76 CO 0.00 -0.69 1.15 0.00 0.04 0.00 0.00 177.00 177.49 1x4d s ALA 77 N 3.09 3.24 -0.44 8.56 0.00 -1.26 -4.99 121.76 129.96 1x4d s ALA 77 Ca 0.66 -2.57 -0.22 0.00 0.00 0.00 0.00 51.96 49.84 1x4d s ALA 77 Cb -0.31 -4.08 0.03 0.00 0.00 0.00 0.00 23.12 18.75 1x4d s ALA 77 CO 0.26 -3.04 0.70 -0.51 0.00 0.00 0.00 175.76 173.18 1x4d s LEU 78 N 3.18 4.40 -0.24 0.00 1.43 -1.26 -2.37 118.68 123.82 1x4d s LEU 78 Ca 0.33 -0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 53.07 1x4d s LEU 78 Cb -0.06 -2.82 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 1x4d s LEU 78 CO -0.07 -0.84 0.15 -0.69 0.23 0.00 0.00 176.35 175.13 1x4d s VAL 79 N 3.02 5.26 0.00 -1.59 1.01 0.29 -4.23 120.40 124.16 1x4d s VAL 79 Ca 0.26 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1x4d s VAL 79 Cb -0.13 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1x4d s VAL 79 CO 0.20 0.34 0.00 0.49 0.00 0.00 0.00 175.10 176.13 1x4d n PHE 80 N 4.38 0.00 0.00 5.22 3.72 -1.26 -1.46 117.46 128.05 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 -1.07 0.00 0.00 -0.94 0.00 0.00 39.48 37.99 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 -1.43 0.81 3.39 1.37 0.00 -1.26 -5.10 105.19 102.97 1x4d n GLY 81 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1x4d n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4d s LYS 82 N -0.43 1.44 0.49 1.61 0.00 -0.54 -5.03 119.74 117.28 1x4d s LYS 82 Ca 0.00 -1.46 -0.22 0.00 0.00 0.00 0.00 55.97 54.29 1x4d s LYS 82 Cb 0.00 -1.73 -0.07 0.00 0.00 0.00 0.00 37.83 36.03 1x4d s LYS 82 CO 0.00 0.38 1.15 -1.25 0.00 0.00 0.00 175.35 175.63 1x4d s PRO 83 N -2.58 3.60 0.18 1.78 0.04 -1.26 0.10 135.00 136.86 1x4d s PRO 83 Ca 0.18 1.71 0.04 0.00 0.04 0.00 0.00 61.00 62.98 1x4d s PRO 83 Cb -0.08 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 1x4d s PRO 83 CO 0.08 -0.67 0.15 1.33 0.04 0.00 0.00 177.00 177.93 1x4d n VAL 84 N -0.81 0.00 -4.70 -0.36 0.24 -1.00 -4.80 118.33 106.90 1x4d n VAL 84 Ca 0.09 -1.32 -0.30 0.00 -2.04 0.00 0.00 64.34 60.77 1x4d n VAL 84 Cb 0.49 0.65 -0.13 0.00 -1.47 0.00 0.00 33.84 33.38 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 -2.74 1.86 -0.14 7.34 0.52 -0.92 -4.78 118.95 120.09 1x4d s ARG 85 Ca 0.21 -1.09 -0.03 0.00 -0.52 0.00 0.00 55.73 54.30 1x4d s ARG 85 Cb 0.01 -2.07 0.05 0.00 0.52 0.00 0.00 34.95 33.46 1x4d s ARG 85 CO 0.15 0.51 0.05 0.08 0.02 0.00 0.00 175.30 176.12 1x4d s VAL 86 N -0.91 0.17 0.14 3.52 1.01 -1.26 -2.51 120.40 120.56 1x4d s VAL 86 Ca 0.14 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.04 1x4d s VAL 86 Cb -0.10 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1x4d s VAL 86 CO 0.04 -0.10 -0.15 -1.00 0.00 0.00 0.00 175.10 173.90 1x4d s HIS 87 N 2.03 1.53 -0.70 5.22 3.76 -0.08 -4.93 115.29 122.12 1x4d s HIS 87 Ca 0.02 -0.55 -0.12 0.00 -0.15 0.00 0.00 55.06 54.26 1x4d s HIS 87 Cb -0.15 -0.78 0.18 0.00 1.11 0.00 0.00 32.58 32.95 1x4d s HIS 87 CO -0.07 0.21 0.62 -1.17 -0.85 0.00 0.00 174.74 173.48 1x4d s LEU 88 N -2.66 6.31 0.00 0.89 1.98 -1.26 0.42 118.68 124.36 1x4d s LEU 88 Ca 0.13 -2.44 0.00 0.00 -2.89 0.00 0.00 54.13 48.93 1x4d s LEU 88 Cb -0.04 -2.14 0.00 0.00 0.66 0.00 0.00 46.19 44.67 1x4d s LEU 88 CO 0.04 -0.62 0.00 -1.20 -1.89 0.00 0.00 176.35 172.68 1x4d n SER 89 N 4.28 -1.50 -2.64 3.68 7.64 0.86 -4.93 113.62 121.00 1x4d n SER 89 Ca 0.05 -0.08 -0.03 0.00 1.01 0.00 0.00 58.87 59.82 1x4d n SER 89 Cb 0.44 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.76 1x4d n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x4d n GLN 90 N -1.58 1.26 -3.15 1.43 10.64 -1.26 -4.50 117.38 120.22 1x4d n GLN 90 Ca 0.00 -1.34 0.06 0.00 -1.83 0.00 0.00 57.00 53.89 1x4d n GLN 90 Cb 0.00 0.27 -0.00 0.00 -0.86 0.00 0.00 30.24 29.65 1x4d n GLN 90 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 1x4d s LYS 91 N 0.14 0.08 0.00 2.61 2.36 -1.26 -5.04 119.74 118.63 1x4d s LYS 91 Ca 0.12 0.09 0.00 0.00 -2.55 0.00 0.00 55.97 53.64 1x4d s LYS 91 Cb 0.41 0.04 0.00 0.00 -1.05 0.00 0.00 37.83 37.24 1x4d s LYS 91 CO -0.11 -0.14 0.00 0.66 1.55 0.00 0.00 175.35 177.31 1x4d n TYR 92 N 5.14 0.00 -0.00 4.03 4.01 -1.26 -5.05 117.16 124.02 1x4d n TYR 92 Ca 0.07 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.62 1x4d n TYR 92 Cb 0.58 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.47 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 0.00 0.74 0.07 -0.72 4.81 -1.26 -4.44 118.16 117.35 1x4d n LYS 93 Ca 0.00 0.26 -0.11 0.00 -0.87 0.00 0.00 58.31 57.60 1x4d n LYS 93 Cb 0.00 -1.71 -0.06 0.00 0.02 0.00 0.00 35.03 33.27 1x4d n LYS 93 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1x4d h ARG 94 N 0.06 -0.46 -3.71 1.64 9.65 -2.03 -3.48 114.38 116.03 1x4d h ARG 94 Ca -0.41 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.50 1x4d h ARG 94 Cb 2.03 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 30.71 1x4d h ARG 94 CO 0.08 -0.31 -0.89 -0.89 2.80 0.00 0.00 179.97 180.76 1x4d n ILE 95 N -4.40 -5.32 -1.57 1.20 2.08 -1.26 -4.99 119.36 105.11 1x4d n ILE 95 Ca -0.05 2.41 0.00 0.00 0.56 0.00 0.00 62.75 65.66 1x4d n ILE 95 Cb 0.26 -3.26 0.00 0.00 -0.75 0.00 0.00 39.64 35.89 1x4d n ILE 95 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1x4d n LYS 96 N -0.29 -4.25 -4.28 0.38 4.76 -1.26 -4.99 118.16 108.22 1x4d n LYS 96 Ca 0.00 3.25 -0.21 0.00 -2.87 0.00 0.00 58.31 58.48 1x4d n LYS 96 Cb 0.00 -3.91 -0.16 0.00 -1.84 0.00 0.00 35.03 29.12 1x4d n LYS 96 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1x4d s SER 97 N -4.67 1.11 0.00 4.39 0.01 -1.26 -5.14 113.70 108.15 1x4d s SER 97 Ca 0.00 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1x4d s SER 97 Cb 0.00 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.73 1x4d s SER 97 CO 0.00 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1x4d n GLY 98 N 3.85 -1.95 3.77 3.44 0.00 -1.26 -4.97 105.19 108.07 1x4d n GLY 98 Ca -0.24 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.04 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 4.05 0.32 1.61 0.04 -1.26 -4.99 135.00 134.77 1x4d s PRO 99 Ca 0.00 1.89 -0.28 0.00 0.04 0.00 0.00 61.00 62.65 1x4d s PRO 99 Cb 0.00 -2.70 -0.10 0.00 0.04 0.00 0.00 34.50 31.75 1x4d s PRO 99 CO 0.00 -0.34 1.20 0.45 0.04 0.00 0.00 177.00 178.35 1x4d s SER 100 N -1.07 6.92 -0.49 6.66 0.15 -1.26 -4.95 113.70 119.66 1x4d s SER 100 Ca 0.57 2.46 0.02 0.00 0.70 0.00 0.00 55.95 59.70 1x4d s SER 100 Cb -0.32 -2.63 0.45 0.00 -1.71 0.00 0.00 66.02 61.81 1x4d s SER 100 CO 0.40 -0.40 1.62 -1.54 1.20 0.00 0.00 173.24 174.51 1x4d n SER 101 N 0.82 6.32 0.00 5.45 3.41 -1.26 -5.33 113.62 123.03 1x4d n SER 101 Ca 0.00 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.84 1x4d n SER 101 Cb 0.44 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1x4d n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49