#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de4 s GLN 2 N 0.00 3.26 -0.05 9.51 -0.21 -1.26 -4.91 119.66 126.00 1de4 s GLN 2 Ca 0.00 1.14 -0.03 0.00 0.02 0.00 0.00 55.36 56.49 1de4 s GLN 2 Cb 0.00 -2.03 0.03 0.00 1.00 0.00 0.00 33.01 32.01 1de4 s GLN 2 CO 0.00 -0.85 0.13 1.03 -2.12 0.00 0.00 175.29 173.48 1de4 s ARG 3 N -4.27 0.10 0.26 2.91 0.52 -1.26 -4.92 118.95 112.29 1de4 s ARG 3 Ca 0.62 0.28 -0.24 0.00 -0.52 0.00 0.00 55.73 55.87 1de4 s ARG 3 Cb -0.15 -0.08 -0.09 0.00 0.52 0.00 0.00 34.95 35.15 1de4 s ARG 3 CO 0.40 -0.10 0.83 -0.08 0.02 0.00 0.00 175.30 176.37 1de4 s THR 4 N 0.71 4.37 0.88 0.02 -1.32 -1.26 -1.58 115.64 117.46 1de4 s THR 4 Ca -0.05 1.60 -0.11 0.00 -1.21 0.00 0.00 61.69 61.92 1de4 s THR 4 Cb -0.07 -3.98 0.12 0.00 -1.51 0.00 0.00 72.50 67.06 1de4 s THR 4 CO -0.03 0.24 1.11 -2.16 -2.21 0.00 0.00 174.62 171.57 1de4 s PRO 5 N -1.84 1.33 -0.32 7.08 0.04 -1.26 -4.11 135.00 135.91 1de4 s PRO 5 Ca 0.45 1.25 0.04 0.00 0.04 0.00 0.00 61.00 62.77 1de4 s PRO 5 Cb -0.19 -1.78 0.09 0.00 0.04 0.00 0.00 34.50 32.66 1de4 s PRO 5 CO 0.23 -2.32 0.01 0.21 0.04 0.00 0.00 177.00 175.17 1de4 s LYS 6 N -4.77 1.67 0.02 4.56 2.20 -0.19 -4.90 119.74 118.33 1de4 s LYS 6 Ca 0.64 -1.73 -0.27 0.00 -0.36 0.00 0.00 55.97 54.25 1de4 s LYS 6 Cb -0.20 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 1de4 s LYS 6 CO 0.58 -0.84 0.86 0.42 -0.36 0.00 0.00 175.35 176.01 1de4 s ILE 7 N 0.96 4.79 -0.19 5.43 1.09 -1.26 -2.58 121.20 129.44 1de4 s ILE 7 Ca 0.06 1.82 -0.04 0.00 -1.10 0.00 0.00 60.65 61.39 1de4 s ILE 7 Cb -0.19 -4.21 0.06 0.00 -1.06 0.00 0.00 42.46 37.06 1de4 s ILE 7 CO -0.07 0.27 0.07 -1.10 -0.10 0.00 0.00 174.94 174.00 1de4 s GLN 8 N 0.47 0.38 -0.04 2.79 -0.21 -1.21 -4.97 119.66 116.86 1de4 s GLN 8 Ca 0.44 -0.31 -0.09 0.00 0.02 0.00 0.00 55.36 55.42 1de4 s GLN 8 Cb -0.21 -1.94 -0.05 0.00 1.00 0.00 0.00 33.01 31.82 1de4 s GLN 8 CO 0.25 -0.69 0.26 0.14 -2.12 0.00 0.00 175.29 173.14 1de4 s VAL 9 N 1.98 5.29 0.13 1.09 -7.23 -1.26 -1.40 120.40 119.01 1de4 s VAL 9 Ca 0.01 0.40 -0.19 0.00 -1.81 0.00 0.00 61.98 60.40 1de4 s VAL 9 Cb -0.17 -3.55 0.07 0.00 0.56 0.00 0.00 36.38 33.29 1de4 s VAL 9 CO -0.11 0.53 0.90 0.00 -0.31 0.00 0.00 175.10 176.11 1de4 n TYR 10 N 1.67 -1.13 -4.41 2.82 4.11 -0.60 -4.77 117.16 114.85 1de4 n TYR 10 Ca -0.15 -1.02 -0.26 0.00 -0.00 0.00 0.00 57.90 56.47 1de4 n TYR 10 Cb 0.54 0.49 -0.11 0.00 -0.00 0.00 0.00 39.34 40.26 1de4 n TYR 10 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1de4 s SER 11 N -3.10 3.69 0.06 9.48 1.04 -1.26 -0.02 113.70 123.59 1de4 s SER 11 Ca 0.20 -0.85 -0.20 0.00 0.48 0.00 0.00 55.95 55.58 1de4 s SER 11 Cb -0.02 -0.38 -0.12 0.00 0.10 0.00 0.00 66.02 65.59 1de4 s SER 11 CO 0.04 0.09 1.43 -0.09 0.98 0.00 0.00 173.24 175.69 1de4 h ARG 12 N 2.80 0.35 -6.40 4.02 2.43 -1.79 -3.45 114.38 112.35 1de4 h ARG 12 Ca -0.44 -0.14 -0.61 0.00 -0.81 0.00 0.00 59.98 57.97 1de4 h ARG 12 Cb 1.22 -0.02 -0.19 0.00 -0.42 0.00 0.00 29.97 30.57 1de4 h ARG 12 CO 0.53 0.64 -0.81 -1.01 -1.51 0.00 0.00 179.97 177.81 1de4 s HIS 13 N -4.66 2.14 -0.16 2.20 3.76 -1.26 -5.06 115.29 112.25 1de4 s HIS 13 Ca -0.14 -0.39 -0.38 0.00 -0.15 0.00 0.00 55.06 54.00 1de4 s HIS 13 Cb 0.06 -1.07 -0.15 0.00 1.11 0.00 0.00 32.58 32.54 1de4 s HIS 13 CO 0.74 0.43 1.71 -2.30 -0.85 0.00 0.00 174.74 174.48 1de4 n PRO 14 N 0.32 1.46 -1.56 8.40 -0.02 -1.26 -4.82 135.00 137.52 1de4 n PRO 14 Ca -0.13 0.54 -0.54 0.00 -2.02 0.00 0.00 63.50 61.35 1de4 n PRO 14 Cb 0.56 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 1de4 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1de4 n ALA 15 N 5.18 -1.69 -3.07 3.55 0.00 -1.26 -4.95 120.51 118.28 1de4 n ALA 15 Ca 0.24 0.53 -0.11 0.00 0.00 0.00 0.00 53.44 54.10 1de4 n ALA 15 Cb 0.19 -1.98 -0.03 0.00 0.00 0.00 0.00 19.45 17.62 1de4 n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1de4 s GLU 16 N 0.27 0.93 0.01 0.00 2.12 -1.26 -5.13 118.70 115.64 1de4 s GLU 16 Ca 0.85 -1.18 -0.02 0.00 0.36 0.00 0.00 54.97 54.97 1de4 s GLU 16 Cb -1.03 -0.47 -0.01 0.00 0.26 0.00 0.00 34.13 32.88 1de4 s GLU 16 CO 0.50 -1.30 0.05 0.09 -0.54 0.00 0.00 175.26 174.06 1de4 n ASN 17 N 3.32 -0.06 0.00 -1.70 3.02 -1.26 -1.56 115.26 117.02 1de4 n ASN 17 Ca 0.19 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 1de4 n ASN 17 Cb 0.52 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 1de4 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1de4 n GLY 18 N 0.13 2.91 3.60 7.41 0.00 0.25 -4.99 105.19 114.51 1de4 n GLY 18 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1de4 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de4 s LYS 19 N -0.17 3.99 -0.01 1.61 3.01 -0.60 -4.91 119.74 122.66 1de4 s LYS 19 Ca 0.00 0.12 -0.30 0.00 -1.01 0.00 0.00 55.97 54.78 1de4 s LYS 19 Cb 0.00 -3.67 -0.08 0.00 -1.01 0.00 0.00 37.83 33.07 1de4 s LYS 19 CO 0.00 -0.34 1.93 0.45 0.51 0.00 0.00 175.35 177.90 1de4 s SER 20 N 1.62 6.38 0.00 2.83 0.15 -1.26 -4.04 113.70 119.38 1de4 s SER 20 Ca 0.17 2.49 0.00 0.00 0.70 0.00 0.00 55.95 59.32 1de4 s SER 20 Cb -0.16 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1de4 s SER 20 CO 0.10 -1.14 0.00 -3.20 1.20 0.00 0.00 173.24 170.20 1de4 n ASN 21 N 7.94 0.00 -3.72 5.45 4.05 0.64 -4.92 115.26 124.70 1de4 n ASN 21 Ca 0.20 0.00 -0.13 0.00 0.45 0.00 0.00 54.58 55.11 1de4 n ASN 21 Cb 0.42 0.00 -0.13 0.00 1.23 0.00 0.00 39.78 41.30 1de4 n ASN 21 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 1de4 s PHE 22 N 2.94 -0.31 -0.35 1.20 0.08 -1.26 -1.90 117.98 118.38 1de4 s PHE 22 Ca 0.00 0.75 -0.12 0.00 0.12 0.00 0.00 56.93 57.68 1de4 s PHE 22 Cb 0.00 0.02 -0.00 0.00 -0.57 0.00 0.00 43.02 42.46 1de4 s PHE 22 CO 0.00 -0.23 0.23 -1.17 -0.10 0.00 0.00 175.22 173.94 1de4 s LEU 23 N 1.35 4.55 0.11 -0.37 2.96 -0.47 -1.99 118.68 124.81 1de4 s LEU 23 Ca -0.08 -0.58 0.03 0.00 -0.22 0.00 0.00 54.13 53.28 1de4 s LEU 23 Cb -0.11 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 1de4 s LEU 23 CO -0.08 -0.28 0.11 0.20 -1.32 0.00 0.00 176.35 174.99 1de4 s ASN 24 N 1.67 5.62 -0.10 3.68 0.01 0.97 -2.31 114.94 124.49 1de4 s ASN 24 Ca 0.05 -0.02 -0.03 0.00 -0.71 0.00 0.00 52.86 52.15 1de4 s ASN 24 Cb -0.18 -1.53 0.04 0.00 0.41 0.00 0.00 41.25 40.00 1de4 s ASN 24 CO 0.09 0.14 0.08 0.00 -1.51 0.00 0.00 177.10 175.90 1de4 s TYR 26 N 2.17 3.19 0.27 0.00 5.04 -0.49 -1.41 117.35 126.11 1de4 s TYR 26 Ca 0.04 -2.85 -0.27 0.00 -2.44 0.00 0.00 57.07 51.54 1de4 s TYR 26 Cb -0.14 -2.66 -0.09 0.00 0.35 0.00 0.00 41.96 39.42 1de4 s TYR 26 CO -0.06 -0.87 0.91 0.14 -1.34 0.00 0.00 175.55 174.34 1de4 s VAL 27 N 0.60 4.18 0.25 3.14 -7.23 -0.88 -3.36 120.40 117.10 1de4 s VAL 27 Ca 0.13 1.90 -0.15 0.00 -1.81 0.00 0.00 61.98 62.05 1de4 s VAL 27 Cb -0.21 -4.16 0.00 0.00 0.56 0.00 0.00 36.38 32.57 1de4 s VAL 27 CO -0.07 0.34 0.54 -0.94 -0.31 0.00 0.00 175.10 174.66 1de4 s SER 28 N -1.38 -0.14 0.00 4.85 1.04 -1.07 -1.34 113.70 115.66 1de4 s SER 28 Ca 0.44 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1de4 s SER 28 Cb -0.22 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1de4 s SER 28 CO 0.27 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1de4 n GLY 29 N -0.40 0.32 3.85 7.32 0.00 -0.62 -1.03 105.19 114.63 1de4 n GLY 29 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1de4 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1de4 s PHE 30 N -1.87 3.46 0.00 1.61 -0.71 -1.20 -4.54 117.98 114.73 1de4 s PHE 30 Ca 0.00 1.41 0.00 0.00 -1.04 0.00 0.00 56.93 57.30 1de4 s PHE 30 Cb 0.00 -2.75 0.00 0.00 -1.21 0.00 0.00 43.02 39.06 1de4 s PHE 30 CO 0.00 -0.34 0.00 1.58 -1.34 0.00 0.00 175.22 175.12 1de4 n HIS 31 N -1.56 0.00 -1.13 3.49 -0.00 -0.61 -0.75 115.22 114.66 1de4 n HIS 31 Ca 0.06 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.97 1de4 n HIS 31 Cb 0.54 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.28 1de4 n HIS 31 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1de4 n PRO 32 N 0.00 0.00 -0.36 1.57 -0.02 -1.26 -4.53 135.00 130.40 1de4 n PRO 32 Ca 0.00 0.00 0.36 0.00 -2.02 0.00 0.00 63.50 61.84 1de4 n PRO 32 Cb 0.00 -1.03 0.59 0.00 -0.02 0.00 0.00 33.50 33.04 1de4 n PRO 32 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1de4 h SER 33 N 8.81 0.00 -2.04 2.55 4.64 -1.97 -3.38 113.55 122.16 1de4 h SER 33 Ca -0.02 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.72 1de4 h SER 33 Cb 0.95 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1de4 h SER 33 CO 1.09 0.00 1.48 -0.62 -0.87 0.00 0.00 176.83 177.91 1de4 s ASP 34 N -3.74 5.43 -0.05 4.97 -1.08 -1.26 -4.90 116.67 116.02 1de4 s ASP 34 Ca -0.04 1.76 -0.22 0.00 -0.52 0.00 0.00 52.55 53.54 1de4 s ASP 34 Cb 0.19 -2.51 0.05 0.00 -1.46 0.00 0.00 42.92 39.18 1de4 s ASP 34 CO 0.62 -2.00 0.48 -0.51 0.52 0.00 0.00 175.17 174.28 1de4 s ILE 35 N 8.44 0.03 -0.01 4.11 2.07 -1.26 -4.66 121.20 129.91 1de4 s ILE 35 Ca 0.98 -0.22 0.07 0.00 -1.41 0.00 0.00 60.65 60.07 1de4 s ILE 35 Cb -0.31 -0.78 -0.02 0.00 0.13 0.00 0.00 42.46 41.48 1de4 s ILE 35 CO 0.34 -0.12 -0.24 -1.83 -1.91 0.00 0.00 174.94 171.18 1de4 s GLU 36 N -1.06 1.89 -0.01 3.50 -1.05 -0.90 -5.03 118.70 116.05 1de4 s GLU 36 Ca -0.11 -0.87 0.01 0.00 -0.15 0.00 0.00 54.97 53.86 1de4 s GLU 36 Cb -0.03 -1.85 -0.00 0.00 -0.44 0.00 0.00 34.13 31.81 1de4 s GLU 36 CO 0.06 0.50 -0.04 0.08 0.95 0.00 0.00 175.26 176.81 1de4 s VAL 37 N -0.58 0.37 0.01 1.83 1.01 -1.26 -1.54 120.40 120.24 1de4 s VAL 37 Ca 0.09 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1de4 s VAL 37 Cb -0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 1de4 s VAL 37 CO -0.01 0.11 -0.09 -1.81 0.00 0.00 0.00 175.10 173.31 1de4 s ASP 38 N 0.00 1.02 -0.27 3.32 1.01 -1.08 -5.03 116.67 115.65 1de4 s ASP 38 Ca 0.00 -0.24 -0.10 0.00 0.71 0.00 0.00 52.55 52.92 1de4 s ASP 38 Cb -0.03 -0.09 -0.05 0.00 1.01 0.00 0.00 42.92 43.77 1de4 s ASP 38 CO -0.00 0.05 0.16 -0.76 0.21 0.00 0.00 175.17 174.83 1de4 s LEU 39 N -0.49 3.91 -0.01 1.23 1.43 -1.26 -2.21 118.68 121.28 1de4 s LEU 39 Ca 0.01 -0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1de4 s LEU 39 Cb -0.05 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 1de4 s LEU 39 CO -0.00 -0.04 0.15 -0.76 0.23 0.00 0.00 176.35 175.94 1de4 s LEU 40 N 1.67 4.24 -0.25 1.79 1.02 0.47 -0.29 118.68 127.34 1de4 s LEU 40 Ca 0.07 0.30 -0.01 0.00 0.02 0.00 0.00 54.13 54.51 1de4 s LEU 40 Cb -0.16 -2.51 0.07 0.00 0.02 0.00 0.00 46.19 43.62 1de4 s LEU 40 CO 0.09 0.27 0.02 -0.75 0.02 0.00 0.00 176.35 176.00 1de4 s LYS 41 N -1.86 1.08 -1.62 1.70 2.20 0.96 -1.67 119.74 120.53 1de4 s LYS 41 Ca 0.26 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 1de4 s LYS 41 Cb -0.12 -2.33 0.00 0.00 -1.51 0.00 0.00 37.83 33.87 1de4 s LYS 41 CO 0.17 -0.72 0.00 0.09 -0.36 0.00 0.00 175.35 174.53 1de4 n ASN 42 N 4.81 -5.09 0.00 1.43 3.02 0.23 -1.96 115.26 117.70 1de4 n ASN 42 Ca -0.08 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1de4 n ASN 42 Cb 0.44 -4.16 0.00 0.00 -0.61 0.00 0.00 39.78 35.46 1de4 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1de4 n GLY 43 N -0.95 0.80 3.40 7.41 0.00 -1.26 -5.01 105.19 109.57 1de4 n GLY 43 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1de4 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1de4 s GLU 44 N -0.62 2.49 0.02 1.61 0.41 -0.83 -5.04 118.70 116.75 1de4 s GLU 44 Ca 0.00 -0.78 -0.30 0.00 -0.41 0.00 0.00 54.97 53.48 1de4 s GLU 44 Cb 0.00 -2.29 -0.06 0.00 -1.78 0.00 0.00 34.13 30.00 1de4 s GLU 44 CO 0.00 0.54 1.36 -0.98 -0.49 0.00 0.00 175.26 175.69 1de4 s ARG 45 N -0.54 4.31 0.18 1.61 1.70 -1.26 -0.03 118.95 124.92 1de4 s ARG 45 Ca 0.07 1.94 -0.24 0.00 -0.47 0.00 0.00 55.73 57.04 1de4 s ARG 45 Cb -0.11 -3.49 -0.08 0.00 -0.57 0.00 0.00 34.95 30.70 1de4 s ARG 45 CO 0.01 -0.51 0.76 0.42 -1.08 0.00 0.00 175.30 174.90 1de4 s ILE 46 N 2.01 4.43 0.00 4.99 1.01 0.61 -4.93 121.20 129.31 1de4 s ILE 46 Ca 0.63 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.86 1de4 s ILE 46 Cb -0.32 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.10 1de4 s ILE 46 CO 0.27 0.44 0.00 -0.62 0.00 0.00 0.00 174.94 175.03 1de4 n GLU 47 N 1.37 1.45 -4.23 2.79 4.71 -1.26 -4.56 120.64 120.91 1de4 n GLU 47 Ca -0.05 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.76 1de4 n GLU 47 Cb 0.49 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.88 1de4 n GLU 47 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1de4 n LYS 48 N -0.59 -2.44 -3.88 3.49 4.01 -1.26 -4.93 118.16 112.56 1de4 n LYS 48 Ca 0.00 0.30 -0.27 0.00 -0.51 0.00 0.00 58.31 57.82 1de4 n LYS 48 Cb 0.00 -4.65 -0.03 0.00 -0.51 0.00 0.00 35.03 29.84 1de4 n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1de4 s VAL 49 N -3.63 5.31 0.20 -0.18 1.01 -1.26 -4.75 120.40 117.10 1de4 s VAL 49 Ca 0.46 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.97 1de4 s VAL 49 Cb -0.25 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1de4 s VAL 49 CO 0.95 -0.06 -0.15 -1.61 0.00 0.00 0.00 175.10 174.22 1de4 s GLU 50 N -3.11 1.32 0.04 2.72 2.02 -0.71 -5.00 118.70 115.97 1de4 s GLU 50 Ca 0.36 -1.54 -0.17 0.00 0.02 0.00 0.00 54.97 53.64 1de4 s GLU 50 Cb -0.11 -1.17 0.03 0.00 0.10 0.00 0.00 34.13 32.97 1de4 s GLU 50 CO 0.28 0.21 0.38 -3.38 0.02 0.00 0.00 175.26 172.77 1de4 s HIS 51 N -2.74 -0.21 0.00 1.61 -3.43 -1.26 0.05 115.29 109.31 1de4 s HIS 51 Ca 0.21 0.14 0.00 0.00 -0.80 0.00 0.00 55.06 54.61 1de4 s HIS 51 Cb -0.02 0.18 0.00 0.00 -1.43 0.00 0.00 32.58 31.31 1de4 s HIS 51 CO 0.07 -0.55 0.00 -1.13 -2.00 0.00 0.00 174.74 171.13 1de4 n SER 52 N 0.53 0.00 -4.76 7.38 3.41 0.11 -4.98 113.62 115.31 1de4 n SER 52 Ca -0.19 -0.76 -0.39 0.00 -0.26 0.00 0.00 58.87 57.28 1de4 n SER 52 Cb 0.60 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.49 1de4 n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1de4 s ASP 53 N -1.00 6.90 0.41 4.04 1.01 -1.26 -4.76 116.67 122.01 1de4 s ASP 53 Ca 0.00 1.07 -0.27 0.00 0.71 0.00 0.00 52.55 54.07 1de4 s ASP 53 Cb 0.00 -2.34 -0.10 0.00 1.01 0.00 0.00 42.92 41.49 1de4 s ASP 53 CO 0.00 0.08 1.44 -0.11 0.21 0.00 0.00 175.17 176.79 1de4 n LEU 54 N 2.94 4.76 0.00 1.23 7.94 -1.26 -4.83 117.00 127.79 1de4 n LEU 54 Ca -0.07 1.18 -0.07 0.00 -1.11 0.00 0.00 56.01 55.93 1de4 n LEU 54 Cb 0.51 -1.60 0.01 0.00 0.53 0.00 0.00 43.42 42.88 1de4 n LEU 54 CO 0.43 -0.07 0.29 -0.24 -1.11 0.00 0.00 177.39 176.69 1de4 n SER 55 N 0.21 -1.38 -3.83 1.96 2.88 -1.10 -5.02 113.62 107.33 1de4 n SER 55 Ca 0.03 -2.14 -0.09 0.00 -1.33 0.00 0.00 58.87 55.34 1de4 n SER 55 Cb 0.40 2.35 -0.06 0.00 -0.75 0.00 0.00 64.21 66.15 1de4 n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1de4 s PHE 56 N -4.15 0.13 0.51 0.66 -0.12 -1.26 -1.14 117.98 112.61 1de4 s PHE 56 Ca 0.13 -0.51 0.09 0.00 -0.05 0.00 0.00 56.93 56.59 1de4 s PHE 56 Cb -0.03 0.05 0.05 0.00 -0.63 0.00 0.00 43.02 42.47 1de4 s PHE 56 CO 0.10 -0.67 0.67 -1.12 -0.05 0.00 0.00 175.22 174.14 1de4 s SER 57 N -2.89 5.27 0.34 1.98 0.01 -0.11 -4.94 113.70 113.37 1de4 s SER 57 Ca 0.09 -0.71 0.13 0.00 1.31 0.00 0.00 55.95 56.77 1de4 s SER 57 Cb 0.03 -0.08 1.09 0.00 0.21 0.00 0.00 66.02 67.27 1de4 s SER 57 CO -0.07 -1.09 1.60 0.11 0.41 0.00 0.00 173.24 174.21 1de4 h LYS 58 N 0.42 0.09 -0.85 12.44 1.57 -2.03 0.64 116.57 128.84 1de4 h LYS 58 Ca -0.34 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1de4 h LYS 58 Cb 1.29 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1de4 h LYS 58 CO 0.44 0.06 0.00 -0.40 -0.57 0.00 0.00 179.45 178.98 1de4 n ASP 59 N -5.27 1.09 0.00 0.86 5.75 -1.26 -4.83 116.55 112.89 1de4 n ASP 59 Ca 0.31 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1de4 n ASP 59 Cb 1.04 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 1de4 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1de4 n TRP 60 N -0.03 0.00 -2.73 2.11 7.02 0.22 -4.96 117.44 119.08 1de4 n TRP 60 Ca 0.01 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.08 1de4 n TRP 60 Cb 0.26 -1.51 -0.04 0.00 -2.42 0.00 0.00 31.31 27.60 1de4 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1de4 s SER 61 N -2.05 7.49 0.58 -0.99 1.04 -1.25 -4.75 113.70 113.78 1de4 s SER 61 Ca 0.00 1.78 -0.10 0.00 0.48 0.00 0.00 55.95 58.11 1de4 s SER 61 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 1de4 s SER 61 CO 0.00 -0.08 0.98 -0.36 0.98 0.00 0.00 173.24 174.76 1de4 s PHE 62 N 0.07 3.60 -0.17 5.02 0.08 0.07 -0.93 117.98 125.71 1de4 s PHE 62 Ca 0.47 1.21 -0.16 0.00 0.12 0.00 0.00 56.93 58.58 1de4 s PHE 62 Cb -0.23 -2.64 0.05 0.00 -0.57 0.00 0.00 43.02 39.62 1de4 s PHE 62 CO 0.30 -0.58 0.46 1.52 -0.10 0.00 0.00 175.22 176.82 1de4 s TYR 63 N -3.04 -0.52 0.00 0.36 -0.85 -0.30 -1.59 117.35 111.41 1de4 s TYR 63 Ca 0.54 1.25 -0.03 0.00 -0.52 0.00 0.00 57.07 58.31 1de4 s TYR 63 Cb -0.11 0.18 -0.01 0.00 0.38 0.00 0.00 41.96 42.41 1de4 s TYR 63 CO 0.50 -0.25 0.05 -1.17 -1.52 0.00 0.00 175.55 173.16 1de4 s LEU 64 N 0.33 1.88 -0.11 -3.49 2.96 -0.45 -2.71 118.68 117.08 1de4 s LEU 64 Ca -0.01 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 1de4 s LEU 64 Cb -0.04 0.31 0.01 0.00 0.50 0.00 0.00 46.19 46.97 1de4 s LEU 64 CO -0.00 -0.23 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.35 1de4 s LEU 65 N -0.96 2.06 0.07 -0.68 2.96 -1.26 -2.08 118.68 118.79 1de4 s LEU 65 Ca -0.10 -0.56 0.06 0.00 -0.22 0.00 0.00 54.13 53.31 1de4 s LEU 65 Cb -0.06 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 1de4 s LEU 65 CO 0.00 0.12 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.75 1de4 s TYR 66 N 0.56 2.78 -0.27 5.38 1.51 -0.50 0.08 117.35 126.89 1de4 s TYR 66 Ca -0.14 -0.12 -0.24 0.00 -1.01 0.00 0.00 57.07 55.56 1de4 s TYR 66 Cb -0.17 -1.49 0.08 0.00 -0.11 0.00 0.00 41.96 40.27 1de4 s TYR 66 CO 0.04 0.40 0.79 1.52 -1.11 0.00 0.00 175.55 177.19 1de4 s TYR 67 N -1.14 -0.74 0.09 2.71 1.13 0.11 -1.90 117.35 117.61 1de4 s TYR 67 Ca 0.20 1.76 0.06 0.00 -1.41 0.00 0.00 57.07 57.68 1de4 s TYR 67 Cb -0.11 0.33 -0.03 0.00 -1.10 0.00 0.00 41.96 41.04 1de4 s TYR 67 CO 0.12 -0.36 -0.16 0.99 -2.51 0.00 0.00 175.55 173.63 1de4 s THR 68 N 0.49 1.33 0.02 -3.49 2.01 -0.98 -1.74 115.64 113.28 1de4 s THR 68 Ca -0.00 -1.44 -0.27 0.00 0.31 0.00 0.00 61.69 60.29 1de4 s THR 68 Cb -0.05 -1.29 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 1de4 s THR 68 CO -0.03 -0.20 0.84 -0.70 -0.69 0.00 0.00 174.62 173.84 1de4 s GLU 69 N -1.92 4.53 0.12 4.92 2.12 -1.26 -1.36 118.70 125.84 1de4 s GLU 69 Ca 0.02 1.18 -0.13 0.00 0.36 0.00 0.00 54.97 56.40 1de4 s GLU 69 Cb -0.09 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 30.91 1de4 s GLU 69 CO 0.03 0.14 0.33 -0.59 -0.54 0.00 0.00 175.26 174.63 1de4 s PHE 70 N 0.40 -0.05 -0.27 5.30 -0.71 -0.80 -4.93 117.98 116.92 1de4 s PHE 70 Ca 0.43 -0.31 0.00 0.00 -1.04 0.00 0.00 56.93 56.02 1de4 s PHE 70 Cb -0.20 0.14 0.05 0.00 -1.21 0.00 0.00 43.02 41.79 1de4 s PHE 70 CO 0.24 -0.66 -0.06 -0.08 -1.34 0.00 0.00 175.22 173.32 1de4 s THR 71 N -3.83 2.62 0.34 -4.49 -1.32 -1.26 0.24 115.64 107.92 1de4 s THR 71 Ca 0.04 -1.37 -0.27 0.00 -1.21 0.00 0.00 61.69 58.88 1de4 s THR 71 Cb 0.03 -2.46 -0.09 0.00 -1.51 0.00 0.00 72.50 68.47 1de4 s THR 71 CO -0.11 0.02 1.10 -2.16 -2.21 0.00 0.00 174.62 171.26 1de4 s PRO 72 N 1.22 4.40 0.06 7.08 0.04 -1.26 -4.85 135.00 141.68 1de4 s PRO 72 Ca -0.05 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1de4 s PRO 72 Cb -0.19 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 1de4 s PRO 72 CO -0.04 0.02 -0.04 0.95 0.04 0.00 0.00 177.00 177.93 1de4 s THR 73 N -1.36 0.36 -0.98 1.26 -4.23 -1.26 -0.58 115.64 108.85 1de4 s THR 73 Ca 0.51 -1.70 0.24 0.00 -1.18 0.00 0.00 61.69 59.56 1de4 s THR 73 Cb -0.29 -1.37 0.21 0.00 1.34 0.00 0.00 72.50 72.39 1de4 s THR 73 CO 0.37 -0.87 1.78 -0.62 -0.54 0.00 0.00 174.62 174.73 1de4 n GLU 74 N 0.32 0.02 -0.02 3.99 -0.58 -1.26 -3.46 120.64 119.64 1de4 n GLU 74 Ca -0.15 0.09 -0.19 0.00 -0.42 0.00 0.00 57.16 56.49 1de4 n GLU 74 Cb 0.60 -1.52 -0.13 0.00 -0.57 0.00 0.00 31.44 29.81 1de4 n GLU 74 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1de4 h LYS 75 N 0.00 0.17 -6.94 3.49 6.56 -2.02 -3.47 116.57 114.36 1de4 h LYS 75 Ca 0.00 -0.28 -0.50 0.00 -1.06 0.00 0.00 60.65 58.81 1de4 h LYS 75 Cb 0.43 0.11 0.03 0.00 -0.57 0.00 0.00 32.23 32.23 1de4 h LYS 75 CO 0.00 1.14 0.46 -0.51 -2.06 0.00 0.00 179.45 178.47 1de4 s ASP 76 N -6.81 6.68 -0.06 0.86 1.01 -1.22 -5.06 116.67 112.07 1de4 s ASP 76 Ca -0.19 2.20 0.04 0.00 0.71 0.00 0.00 52.55 55.30 1de4 s ASP 76 Cb 0.02 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 1de4 s ASP 76 CO 0.74 -0.55 -0.17 -1.61 0.21 0.00 0.00 175.17 173.79 1de4 s GLU 77 N -2.31 2.61 -0.02 8.23 0.41 -1.26 -4.77 118.70 121.59 1de4 s GLU 77 Ca 0.56 -0.74 0.06 0.00 -0.41 0.00 0.00 54.97 54.44 1de4 s GLU 77 Cb -0.27 -2.36 -0.01 0.00 -1.78 0.00 0.00 34.13 29.71 1de4 s GLU 77 CO 0.34 0.52 -0.20 0.71 -0.49 0.00 0.00 175.26 176.14 1de4 s TYR 78 N -0.47 1.78 -0.09 1.61 2.02 -1.26 0.73 117.35 121.67 1de4 s TYR 78 Ca 0.06 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.09 1de4 s TYR 78 Cb -0.12 -1.15 0.12 0.00 -0.40 0.00 0.00 41.96 40.41 1de4 s TYR 78 CO 0.02 -0.05 0.99 0.00 -1.57 0.00 0.00 175.55 174.94 1de4 s ALA 79 N -0.41 -1.91 -0.04 3.71 0.00 -0.67 -0.01 121.76 122.43 1de4 s ALA 79 Ca 0.06 1.32 0.06 0.00 0.00 0.00 0.00 51.96 53.40 1de4 s ALA 79 Cb -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1de4 s ALA 79 CO -0.00 -0.55 -0.22 0.00 0.00 0.00 0.00 175.76 174.99 1de4 s ARG 81 N -0.23 3.90 -0.19 0.00 1.70 -0.94 -2.68 118.95 120.51 1de4 s ARG 81 Ca 0.00 -0.27 -0.02 0.00 -0.47 0.00 0.00 55.73 54.97 1de4 s ARG 81 Cb -0.11 -3.25 -0.00 0.00 -0.57 0.00 0.00 34.95 31.01 1de4 s ARG 81 CO 0.02 0.39 -0.10 0.08 -1.08 0.00 0.00 175.30 174.61 1de4 s VAL 82 N 0.06 2.98 -0.20 4.99 1.01 -0.35 -2.63 120.40 126.26 1de4 s VAL 82 Ca 0.07 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1de4 s VAL 82 Cb -0.12 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1de4 s VAL 82 CO 0.00 0.47 0.01 0.21 0.00 0.00 0.00 175.10 175.80 1de4 s ASN 83 N 1.23 4.95 0.32 3.32 3.84 -0.59 -2.77 114.94 125.23 1de4 s ASN 83 Ca 0.02 -0.17 0.03 0.00 0.21 0.00 0.00 52.86 52.96 1de4 s ASN 83 Cb -0.14 -1.85 -0.04 0.00 -0.55 0.00 0.00 41.25 38.67 1de4 s ASN 83 CO -0.04 0.07 0.15 -2.28 -2.79 0.00 0.00 177.10 172.21 1de4 s HIS 84 N 0.98 1.64 0.14 0.43 5.65 -1.26 -2.13 115.29 120.75 1de4 s HIS 84 Ca 0.02 -1.33 0.10 0.00 0.25 0.00 0.00 55.06 54.10 1de4 s HIS 84 Cb -0.14 -0.92 0.06 0.00 -1.18 0.00 0.00 32.58 30.40 1de4 s HIS 84 CO 0.02 -0.46 1.44 -0.39 -0.65 0.00 0.00 174.74 174.70 1de4 h VAL 85 N 2.16 1.49 0.00 0.89 -1.51 -1.93 -3.09 116.25 114.26 1de4 h VAL 85 Ca -0.34 -2.75 0.00 0.00 -1.23 0.00 0.00 66.70 62.37 1de4 h VAL 85 Cb 1.25 2.52 0.00 0.00 -2.13 0.00 0.00 31.29 32.93 1de4 h VAL 85 CO 0.54 0.77 0.00 0.35 -1.23 0.00 0.00 177.57 178.00 1de4 n THR 86 N -3.49 0.00 -5.20 7.19 -2.24 -1.26 -4.74 114.28 104.54 1de4 n THR 86 Ca -0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1de4 n THR 86 Cb 0.79 -0.35 -0.16 0.00 -2.10 0.00 0.00 70.33 68.50 1de4 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1de4 s LEU 87 N -1.51 2.04 -0.01 3.22 1.43 -1.17 -4.93 118.68 117.75 1de4 s LEU 87 Ca 0.20 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 52.68 1de4 s LEU 87 Cb 0.09 -1.28 -0.08 0.00 0.03 0.00 0.00 46.19 44.95 1de4 s LEU 87 CO 0.15 0.26 0.80 0.28 0.23 0.00 0.00 176.35 178.07 1de4 h SER 88 N 5.85 -0.47 -3.61 2.29 0.02 -1.86 -3.44 113.55 112.33 1de4 h SER 88 Ca -0.36 0.02 -0.67 0.00 -0.84 0.00 0.00 61.79 59.93 1de4 h SER 88 Cb 1.15 0.12 -0.17 0.00 0.14 0.00 0.00 62.40 63.65 1de4 h SER 88 CO 0.47 -0.18 -0.76 -1.10 -1.14 0.00 0.00 176.83 174.12 1de4 s GLN 89 N -3.51 2.04 -0.67 3.45 1.11 -1.26 -5.03 119.66 115.78 1de4 s GLN 89 Ca -0.08 -1.06 -0.26 0.00 0.01 0.00 0.00 55.36 53.97 1de4 s GLN 89 Cb 0.01 -2.25 -0.13 0.00 -1.01 0.00 0.00 33.01 29.63 1de4 s GLN 89 CO 0.24 0.50 2.46 -0.35 0.01 0.00 0.00 175.29 178.16 1de4 n PRO 90 N 0.74 0.69 -1.67 2.91 -0.04 -1.26 -4.87 135.00 131.49 1de4 n PRO 90 Ca -0.14 -0.14 -0.46 0.00 -0.04 0.00 0.00 63.50 62.71 1de4 n PRO 90 Cb 0.52 -2.95 -0.04 0.00 -0.04 0.00 0.00 33.50 30.99 1de4 n PRO 90 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1de4 n LYS 91 N 8.67 2.12 -4.38 0.54 4.81 -1.11 -4.62 118.16 124.19 1de4 n LYS 91 Ca 0.46 0.77 -0.31 0.00 -0.87 0.00 0.00 58.31 58.36 1de4 n LYS 91 Cb 0.40 -2.53 -0.10 0.00 0.02 0.00 0.00 35.03 32.82 1de4 n LYS 91 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1de4 s ILE 92 N 0.95 3.64 -0.08 3.15 1.01 -1.26 -1.21 121.20 127.39 1de4 s ILE 92 Ca 0.79 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 60.54 1de4 s ILE 92 Cb -0.69 -2.62 0.03 0.00 0.01 0.00 0.00 42.46 39.19 1de4 s ILE 92 CO 0.38 0.31 0.01 -0.69 0.00 0.00 0.00 174.94 174.96 1de4 s VAL 93 N -1.07 0.31 0.59 2.92 1.01 -1.09 -5.02 120.40 118.05 1de4 s VAL 93 Ca 0.19 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.19 1de4 s VAL 93 Cb -0.11 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 1de4 s VAL 93 CO 0.10 0.20 0.96 -0.54 0.00 0.00 0.00 175.10 175.82 1de4 s LYS 94 N 2.00 3.36 -0.43 2.72 1.02 -1.26 -2.38 119.74 124.78 1de4 s LYS 94 Ca 0.04 0.45 -0.22 0.00 0.02 0.00 0.00 55.97 56.26 1de4 s LYS 94 Cb -0.13 -2.18 0.02 0.00 -0.52 0.00 0.00 37.83 35.03 1de4 s LYS 94 CO -0.05 -0.57 0.73 -0.46 -0.92 0.00 0.00 175.35 174.08 1de4 s TRP 95 N -3.07 3.04 -0.60 3.18 -0.00 0.98 -4.83 118.94 117.65 1de4 s TRP 95 Ca 0.53 0.18 -0.27 0.00 -0.00 0.00 0.00 56.10 56.54 1de4 s TRP 95 Cb -0.11 -3.49 0.01 0.00 -0.00 0.00 0.00 33.47 29.88 1de4 s TRP 95 CO 0.50 -0.88 1.49 0.34 -0.00 0.00 0.00 176.95 178.40 1de4 s ASP 96 N 2.03 5.95 0.31 5.86 2.15 -1.26 -4.86 116.67 126.85 1de4 s ASP 96 Ca 0.28 0.19 0.23 0.00 0.43 0.00 0.00 52.55 53.68 1de4 s ASP 96 Cb -0.13 -2.54 1.05 0.00 -0.30 0.00 0.00 42.92 40.99 1de4 s ASP 96 CO 0.20 -1.87 1.08 0.54 -0.17 0.00 0.00 175.17 174.95 1de4 n ARG 97 N 8.90 -0.02 0.11 4.34 5.12 -1.26 0.49 116.66 134.33 1de4 n ARG 97 Ca 0.13 0.86 0.01 0.00 -1.93 0.00 0.00 57.85 56.91 1de4 n ARG 97 Cb 0.50 -1.72 0.32 0.00 -1.16 0.00 0.00 32.46 30.40 1de4 n ARG 97 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1de4 h ASP 98 N 0.00 0.24 -0.02 0.55 3.32 -2.00 -3.43 116.42 115.08 1de4 h ASP 98 Ca 0.61 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.60 1de4 h ASP 98 Cb 2.02 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.50 1de4 h ASP 98 CO -0.30 0.49 0.00 0.23 -1.72 0.00 0.00 179.24 177.94