#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 3.27 -0.06 9.51 -0.21 -1.26 -4.90 119.66 126.01 1de4 s GLN 2 Ca 0.00 1.16 -0.03 0.00 0.02 0.00 0.00 55.36 56.51 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 0.00 175.29 173.49 1de4 s ARG 3 N -4.22 0.12 0.23 2.91 0.52 -1.26 -4.91 118.95 112.33 1de4 s ARG 3 Ca 0.63 0.27 -0.24 0.00 -0.52 0.00 0.00 55.73 55.87 1de4 s ARG 3 Cb -0.16 -0.06 -0.09 0.00 0.52 0.00 0.00 34.95 35.17 1de4 s ARG 3 CO 0.39 -0.09 0.81 -0.08 0.02 0.00 0.00 175.30 176.36 1de4 s THR 4 N 0.61 4.38 0.94 0.02 -1.32 -1.26 -1.56 115.64 117.45 1de4 s THR 4 Ca -0.05 1.60 -0.11 0.00 -1.21 0.00 0.00 61.69 61.93 1de4 s THR 4 Cb -0.06 -4.01 0.16 0.00 -1.51 0.00 0.00 72.50 67.07 1de4 s THR 4 CO -0.03 0.30 1.10 -2.16 -2.21 0.00 0.00 174.62 171.62 1de4 s PRO 5 N -1.70 0.87 -0.32 7.08 0.04 -1.26 -4.10 135.00 135.60 1de4 s PRO 5 Ca 0.43 1.16 0.03 0.00 0.04 0.00 0.00 61.00 62.66 1de4 s PRO 5 Cb -0.20 -1.74 0.09 0.00 0.04 0.00 0.00 34.50 32.70 1de4 s PRO 5 CO 0.24 -2.61 0.03 0.21 0.04 0.00 0.00 177.00 174.91 1de4 s LYS 6 N -4.72 1.48 0.02 4.56 2.20 -0.32 -4.90 119.74 118.05 1de4 s LYS 6 Ca 0.65 -1.64 -0.27 0.00 -0.36 0.00 0.00 55.97 54.35 1de4 s LYS 6 Cb -0.21 -2.96 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1de4 s LYS 6 CO 0.59 -0.88 0.86 0.42 -0.36 0.00 0.00 175.35 175.98 1de4 s ILE 7 N 1.06 4.81 -0.20 5.43 1.09 -1.26 -2.61 121.20 129.51 1de4 s ILE 7 Ca 0.07 1.82 -0.04 0.00 -1.10 0.00 0.00 60.65 61.41 1de4 s ILE 7 Cb -0.19 -4.21 0.07 0.00 -1.06 0.00 0.00 42.46 37.07 1de4 s ILE 7 CO -0.10 0.26 0.07 -1.10 -0.10 0.00 0.00 174.94 173.97 1de4 s GLN 8 N 0.51 0.41 -0.02 2.79 -0.21 -1.22 -4.97 119.66 116.95 1de4 s GLN 8 Ca 0.44 -0.35 -0.10 0.00 0.02 0.00 0.00 55.36 55.38 1de4 s GLN 8 Cb -0.21 -1.93 -0.05 0.00 1.00 0.00 0.00 33.01 31.82 1de4 s GLN 8 CO 0.25 -0.70 0.29 0.14 -2.12 0.00 0.00 175.29 173.15 1de4 s VAL 9 N 1.96 5.25 0.12 1.09 -7.23 -1.26 -1.45 120.40 118.89 1de4 s VAL 9 Ca 0.01 0.43 -0.18 0.00 -1.81 0.00 0.00 61.98 60.44 1de4 s VAL 9 Cb -0.17 -3.57 0.06 0.00 0.56 0.00 0.00 36.38 33.26 1de4 s VAL 9 CO -0.12 0.50 0.83 0.00 -0.31 0.00 0.00 175.10 176.01 1de4 n TYR 10 N 1.58 -1.06 -4.41 2.82 4.11 -0.60 -4.78 117.16 114.82 1de4 n TYR 10 Ca -0.14 -0.93 -0.26 0.00 -0.00 0.00 0.00 57.90 56.56 1de4 n TYR 10 Cb 0.53 0.45 -0.11 0.00 -0.00 0.00 0.00 39.34 40.21 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 -2.95 3.59 0.06 9.48 1.04 -1.26 -0.01 113.70 123.65 1de4 s SER 11 Ca 0.19 -0.85 -0.20 0.00 0.48 0.00 0.00 55.95 55.56 1de4 s SER 11 Cb -0.02 -0.33 -0.11 0.00 0.10 0.00 0.00 66.02 65.65 1de4 s SER 11 CO 0.04 0.10 1.46 -0.09 0.98 0.00 0.00 173.24 175.73 1de4 h ARG 12 N 2.97 0.35 -6.40 4.02 2.43 -1.80 -3.45 114.38 112.50 1de4 h ARG 12 Ca -0.45 -0.13 -0.61 0.00 -0.81 0.00 0.00 59.98 57.97 1de4 h ARG 12 Cb 1.22 -0.02 -0.18 0.00 -0.42 0.00 0.00 29.97 30.56 1de4 h ARG 12 CO 0.51 0.60 -0.81 -1.01 -1.51 0.00 0.00 179.97 177.75 1de4 s HIS 13 N -4.78 2.15 -0.11 2.20 3.76 -1.26 -5.06 115.29 112.19 1de4 s HIS 13 Ca -0.14 -0.39 -0.37 0.00 -0.15 0.00 0.00 55.06 54.01 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 0.45 1.68 -2.30 -0.85 0.00 0.00 174.74 174.45 1de4 n PRO 14 N 0.29 1.52 -1.57 8.40 -0.02 -1.26 -4.83 135.00 137.52 1de4 n PRO 14 Ca -0.13 0.55 -0.53 0.00 -2.02 0.00 0.00 63.50 61.38 1de4 n PRO 14 Cb 0.56 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.70 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 4.90 -1.46 -3.08 3.55 0.00 -1.26 -4.95 120.51 118.21 1de4 n ALA 15 Ca 0.23 0.53 -0.10 0.00 0.00 0.00 0.00 53.44 54.09 1de4 n ALA 15 Cb 0.20 -2.01 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 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 0.29 0.92 0.01 0.00 2.12 -1.26 -5.13 118.70 115.66 1de4 s GLU 16 Ca 0.84 -1.12 -0.03 0.00 0.36 0.00 0.00 54.97 55.02 1de4 s GLU 16 Cb -1.00 -0.44 -0.02 0.00 0.26 0.00 0.00 34.13 32.94 1de4 s GLU 16 CO 0.49 -1.30 0.07 0.09 -0.54 0.00 0.00 175.26 174.07 1de4 n ASN 17 N 3.39 -0.07 0.00 -1.70 3.02 -1.26 -1.54 115.26 117.10 1de4 n ASN 17 Ca 0.18 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1de4 n ASN 17 Cb 0.52 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 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 0.16 2.90 3.61 7.41 0.00 0.23 -4.99 105.19 114.51 1de4 n GLY 18 Ca 0.02 0.00 -0.39 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 -0.15 4.02 -0.04 1.61 3.01 -0.59 -4.91 119.74 122.69 1de4 s LYS 19 Ca 0.00 0.14 -0.30 0.00 -1.01 0.00 0.00 55.97 54.81 1de4 s LYS 19 Cb 0.00 -3.66 -0.07 0.00 -1.01 0.00 0.00 37.83 33.09 1de4 s LYS 19 CO 0.00 -0.32 1.95 0.45 0.51 0.00 0.00 175.35 177.94 1de4 s SER 20 N 1.61 6.29 0.00 2.83 0.15 -1.26 -4.04 113.70 119.28 1de4 s SER 20 Ca 0.18 2.41 0.00 0.00 0.70 0.00 0.00 55.95 59.24 1de4 s SER 20 Cb -0.16 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1de4 s SER 20 CO 0.10 -1.21 0.00 -3.20 1.20 0.00 0.00 173.24 170.12 1de4 n ASN 21 N 8.30 0.00 -3.72 5.45 4.05 0.61 -4.91 115.26 125.03 1de4 n ASN 21 Ca 0.21 0.00 -0.12 0.00 0.45 0.00 0.00 54.58 55.12 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 3.10 -0.36 -0.34 1.20 0.08 -1.26 -1.93 117.98 118.47 1de4 s PHE 22 Ca 0.00 0.85 -0.12 0.00 0.12 0.00 0.00 56.93 57.78 1de4 s PHE 22 Cb 0.00 0.07 -0.01 0.00 -0.57 0.00 0.00 43.02 42.51 1de4 s PHE 22 CO 0.00 -0.25 0.21 -1.17 -0.10 0.00 0.00 175.22 173.91 1de4 s LEU 23 N 1.32 4.46 0.11 -0.37 2.96 -0.50 -2.05 118.68 124.62 1de4 s LEU 23 Ca -0.09 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.30 1de4 s LEU 23 Cb -0.10 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 1de4 s LEU 23 CO -0.09 -0.26 0.11 0.20 -1.32 0.00 0.00 176.35 174.99 1de4 s ASN 24 N 1.67 5.54 -0.10 3.68 0.01 0.98 -2.32 114.94 124.40 1de4 s ASN 24 Ca 0.05 -0.05 -0.03 0.00 -0.71 0.00 0.00 52.86 52.11 1de4 s ASN 24 Cb -0.18 -1.48 0.05 0.00 0.41 0.00 0.00 41.25 40.05 1de4 s ASN 24 CO 0.09 0.13 0.09 0.00 -1.51 0.00 0.00 177.10 175.89 1de4 s TYR 26 N 2.18 3.17 0.26 0.00 5.04 -0.53 -1.42 117.35 126.05 1de4 s TYR 26 Ca 0.04 -2.87 -0.29 0.00 -2.44 0.00 0.00 57.07 51.50 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 -0.86 0.94 0.14 -1.34 0.00 0.00 175.55 174.38 1de4 s VAL 27 N 0.52 4.08 0.26 3.14 -7.23 -0.90 -3.39 120.40 116.89 1de4 s VAL 27 Ca 0.14 2.03 -0.14 0.00 -1.81 0.00 0.00 61.98 62.20 1de4 s VAL 27 Cb -0.22 -4.27 0.00 0.00 0.56 0.00 0.00 36.38 32.46 1de4 s VAL 27 CO -0.06 0.43 0.52 -0.94 -0.31 0.00 0.00 175.10 174.74 1de4 s SER 28 N -1.25 -0.08 0.00 4.85 1.04 -1.07 -1.31 113.70 115.87 1de4 s SER 28 Ca 0.43 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1de4 s SER 28 Cb -0.25 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1de4 s SER 28 CO 0.31 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1de4 n GLY 29 N -0.40 0.35 3.85 7.32 0.00 -0.63 -1.18 105.19 114.50 1de4 n GLY 29 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.79 3.46 0.00 1.61 -0.71 -1.20 -4.53 117.98 114.82 1de4 s PHE 30 Ca 0.00 1.40 0.00 0.00 -1.04 0.00 0.00 56.93 57.29 1de4 s PHE 30 Cb 0.00 -2.74 0.00 0.00 -1.21 0.00 0.00 43.02 39.07 1de4 s PHE 30 CO 0.00 -0.35 0.00 1.58 -1.34 0.00 0.00 175.22 175.11 1de4 n HIS 31 N -1.60 0.00 -1.17 3.49 -0.00 -0.60 -0.85 115.22 114.49 1de4 n HIS 31 Ca 0.06 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.96 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 -0.49 1.57 -0.02 -1.26 -4.53 135.00 130.26 1de4 n PRO 32 Ca 0.00 0.00 0.43 0.00 -2.02 0.00 0.00 63.50 61.91 1de4 n PRO 32 Cb 0.00 -1.07 0.67 0.00 -0.02 0.00 0.00 33.50 33.08 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 9.18 0.00 -1.94 2.55 4.64 -1.97 -3.38 113.55 122.62 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 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1de4 h SER 33 CO 1.14 0.00 1.51 -0.67 -0.87 0.00 0.00 176.83 177.94 1de4 n ASP 34 N -3.67 3.17 -3.67 4.97 -0.08 -1.26 -4.90 116.55 111.10 1de4 n ASP 34 Ca 0.35 0.13 -0.15 0.00 -1.51 0.00 0.00 54.79 53.61 1de4 n ASP 34 Cb 1.79 -1.56 -0.08 0.00 2.34 0.00 0.00 41.12 43.61 1de4 n ASP 34 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1de4 s ILE 35 N 8.71 0.03 -0.01 5.18 2.07 -1.26 -4.66 121.20 131.26 1de4 s ILE 35 Ca 1.01 -0.24 0.07 0.00 -1.41 0.00 0.00 60.65 60.09 1de4 s ILE 35 Cb -0.32 -0.76 -0.02 0.00 0.13 0.00 0.00 42.46 41.49 1de4 s ILE 35 CO 0.34 -0.13 -0.24 -1.83 -1.91 0.00 0.00 174.94 171.18 1de4 s GLU 36 N -1.03 1.86 -0.01 3.50 -1.05 -0.94 -5.03 118.70 116.00 1de4 s GLU 36 Ca -0.11 -0.88 0.01 0.00 -0.15 0.00 0.00 54.97 53.85 1de4 s GLU 36 Cb -0.03 -1.83 -0.00 0.00 -0.44 0.00 0.00 34.13 31.83 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 -0.60 0.33 0.01 1.83 1.01 -1.26 -1.60 120.40 120.12 1de4 s VAL 37 Ca 0.09 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1de4 s VAL 37 Cb -0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1de4 s VAL 37 CO -0.00 0.10 -0.08 -1.81 0.00 0.00 0.00 175.10 173.30 1de4 s ASP 38 N -0.00 0.98 -0.27 3.32 1.01 -1.08 -5.03 116.67 115.61 1de4 s ASP 38 Ca 0.00 -0.25 -0.10 0.00 0.71 0.00 0.00 52.55 52.92 1de4 s ASP 38 Cb -0.03 -0.08 -0.04 0.00 1.01 0.00 0.00 42.92 43.78 1de4 s ASP 38 CO -0.00 0.03 0.15 -0.76 0.21 0.00 0.00 175.17 174.80 1de4 s LEU 39 N -0.55 3.87 -0.01 1.23 1.43 -1.26 -2.22 118.68 121.18 1de4 s LEU 39 Ca 0.01 -0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1de4 s LEU 39 Cb -0.05 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1de4 s LEU 39 CO 0.00 -0.03 0.16 -0.76 0.23 0.00 0.00 176.35 175.95 1de4 s LEU 40 N 1.63 4.25 -0.25 1.79 1.02 0.48 -0.31 118.68 127.30 1de4 s LEU 40 Ca 0.07 0.30 -0.00 0.00 0.02 0.00 0.00 54.13 54.51 1de4 s LEU 40 Cb -0.15 -2.52 0.07 0.00 0.02 0.00 0.00 46.19 43.60 1de4 s LEU 40 CO 0.08 0.27 0.02 -0.75 0.02 0.00 0.00 176.35 175.99 1de4 s LYS 41 N -1.88 1.10 -1.61 1.70 2.20 0.92 -1.66 119.74 120.50 1de4 s LYS 41 Ca 0.26 -0.90 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 1de4 s LYS 41 Cb -0.12 -2.34 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 1de4 s LYS 41 CO 0.17 -0.73 0.00 0.09 -0.36 0.00 0.00 175.35 174.53 1de4 n ASN 42 N 4.80 -5.06 0.00 1.43 3.02 0.22 -1.95 115.26 117.72 1de4 n ASN 42 Ca -0.08 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1de4 n ASN 42 Cb 0.44 -4.12 0.00 0.00 -0.61 0.00 0.00 39.78 35.49 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 -0.96 0.80 3.41 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 45.51 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 2.45 0.04 1.61 0.41 -0.82 -5.04 118.70 116.73 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 -2.28 -0.06 0.00 -1.78 0.00 0.00 34.13 30.01 1de4 s GLU 44 CO 0.00 0.56 1.34 -0.98 -0.49 0.00 0.00 175.26 175.69 1de4 s ARG 45 N -0.58 4.33 0.17 1.61 1.70 -1.26 -0.06 118.95 124.85 1de4 s ARG 45 Ca 0.08 1.94 -0.23 0.00 -0.47 0.00 0.00 55.73 57.05 1de4 s ARG 45 Cb -0.11 -3.44 -0.08 0.00 -0.57 0.00 0.00 34.95 30.75 1de4 s ARG 45 CO 0.01 -0.47 0.74 0.42 -1.08 0.00 0.00 175.30 174.92 1de4 s ILE 46 N 1.78 4.47 0.00 4.99 1.01 0.58 -4.93 121.20 129.09 1de4 s ILE 46 Ca 0.62 1.54 0.00 0.00 0.00 0.00 0.00 60.65 62.81 1de4 s ILE 46 Cb -0.32 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.12 1de4 s ILE 46 CO 0.28 0.45 0.00 -0.62 0.00 0.00 0.00 174.94 175.05 1de4 n GLU 47 N 1.39 1.40 -4.21 2.79 4.71 -1.26 -4.55 120.64 120.91 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 0.50 0.00 -0.04 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 -0.63 -2.57 -3.86 3.49 4.01 -1.26 -4.93 118.16 112.42 1de4 n LYS 48 Ca 0.00 0.31 -0.27 0.00 -0.51 0.00 0.00 58.31 57.84 1de4 n LYS 48 Cb 0.00 -4.69 -0.03 0.00 -0.51 0.00 0.00 35.03 29.80 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 -3.62 5.29 0.20 -0.18 1.01 -1.26 -4.75 120.40 117.09 1de4 s VAL 49 Ca 0.46 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.98 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 0.94 -0.09 -0.15 -1.61 0.00 0.00 0.00 175.10 174.20 1de4 s GLU 50 N -3.16 1.31 0.05 2.72 2.02 -0.74 -5.01 118.70 115.89 1de4 s GLU 50 Ca 0.36 -1.56 -0.16 0.00 0.02 0.00 0.00 54.97 53.63 1de4 s GLU 50 Cb -0.11 -1.12 0.03 0.00 0.10 0.00 0.00 34.13 33.02 1de4 s GLU 50 CO 0.28 0.19 0.36 -3.38 0.02 0.00 0.00 175.26 172.74 1de4 s HIS 51 N -2.87 -0.19 0.00 1.61 -3.43 -1.26 -0.08 115.29 109.06 1de4 s HIS 51 Ca 0.21 0.10 0.00 0.00 -0.80 0.00 0.00 55.06 54.58 1de4 s HIS 51 Cb -0.01 0.17 0.00 0.00 -1.43 0.00 0.00 32.58 31.30 1de4 s HIS 51 CO 0.07 -0.54 0.00 -1.13 -2.00 0.00 0.00 174.74 171.13 1de4 n SER 52 N 0.52 0.00 -4.76 7.38 3.41 0.14 -4.98 113.62 115.33 1de4 n SER 52 Ca -0.18 -0.71 -0.38 0.00 -0.26 0.00 0.00 58.87 57.33 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 6.83 0.40 4.04 1.01 -1.26 -4.74 116.67 121.94 1de4 s ASP 53 Ca 0.00 0.98 -0.27 0.00 0.71 0.00 0.00 52.55 53.98 1de4 s ASP 53 Cb 0.00 -2.31 -0.10 0.00 1.01 0.00 0.00 42.92 41.51 1de4 s ASP 53 CO 0.00 0.09 1.39 -0.11 0.21 0.00 0.00 175.17 176.75 1de4 n LEU 54 N 3.00 4.49 0.00 1.23 7.94 -1.26 -4.82 117.00 127.58 1de4 n LEU 54 Ca -0.08 1.17 -0.07 0.00 -1.11 0.00 0.00 56.01 55.92 1de4 n LEU 54 Cb 0.51 -1.57 0.01 0.00 0.53 0.00 0.00 43.42 42.91 1de4 n LEU 54 CO 0.42 -0.21 0.29 -0.24 -1.11 0.00 0.00 177.39 176.54 1de4 n SER 55 N 0.29 -1.36 -3.81 1.96 2.88 -1.10 -5.02 113.62 107.45 1de4 n SER 55 Ca 0.04 -2.10 -0.09 0.00 -1.33 0.00 0.00 58.87 55.38 1de4 n SER 55 Cb 0.39 2.31 -0.06 0.00 -0.75 0.00 0.00 64.21 66.10 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 -4.29 0.09 0.50 0.66 -0.12 -1.26 -1.20 117.98 112.36 1de4 s PHE 56 Ca 0.13 -0.47 0.09 0.00 -0.05 0.00 0.00 56.93 56.63 1de4 s PHE 56 Cb -0.03 0.08 0.05 0.00 -0.63 0.00 0.00 43.02 42.50 1de4 s PHE 56 CO 0.09 -0.68 0.67 -1.12 -0.05 0.00 0.00 175.22 174.13 1de4 s SER 57 N -2.88 5.30 0.35 1.98 0.01 -0.02 -4.93 113.70 113.51 1de4 s SER 57 Ca 0.08 -0.69 0.17 0.00 1.31 0.00 0.00 55.95 56.82 1de4 s SER 57 Cb 0.03 -0.11 1.19 0.00 0.21 0.00 0.00 66.02 67.34 1de4 s SER 57 CO -0.07 -1.07 1.61 0.11 0.41 0.00 0.00 173.24 174.23 1de4 h LYS 58 N 0.42 0.12 -0.87 12.44 1.57 -2.03 0.69 116.57 128.92 1de4 h LYS 58 Ca -0.35 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1de4 h LYS 58 Cb 1.28 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1de4 h LYS 58 CO 0.44 0.08 0.00 -0.40 -0.57 0.00 0.00 179.45 179.00 1de4 n ASP 59 N -5.20 1.40 0.00 0.86 5.75 -1.26 -4.83 116.55 113.28 1de4 n ASP 59 Ca 0.34 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 1de4 n ASP 59 Cb 1.12 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 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 -2.76 2.11 7.02 0.24 -4.96 117.44 119.12 1de4 n TRP 60 Ca 0.03 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.10 1de4 n TRP 60 Cb 0.32 -1.52 -0.04 0.00 -2.42 0.00 0.00 31.31 27.65 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 -2.04 7.43 0.64 -0.99 1.04 -1.24 -4.75 113.70 113.77 1de4 s SER 61 Ca 0.00 1.71 -0.11 0.00 0.48 0.00 0.00 55.95 58.03 1de4 s SER 61 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 1de4 s SER 61 CO 0.00 -0.09 1.04 -0.36 0.98 0.00 0.00 173.24 174.81 1de4 s PHE 62 N 0.21 3.56 -0.20 5.02 0.08 -0.03 -0.84 117.98 125.77 1de4 s PHE 62 Ca 0.47 1.27 -0.18 0.00 0.12 0.00 0.00 56.93 58.61 1de4 s PHE 62 Cb -0.22 -2.78 0.05 0.00 -0.57 0.00 0.00 43.02 39.50 1de4 s PHE 62 CO 0.28 -0.79 0.53 1.52 -0.10 0.00 0.00 175.22 176.66 1de4 s TYR 63 N -3.20 -0.60 0.00 0.36 -0.85 -0.34 -1.61 117.35 111.11 1de4 s TYR 63 Ca 0.56 1.44 -0.02 0.00 -0.52 0.00 0.00 57.07 58.53 1de4 s TYR 63 Cb -0.11 0.22 -0.01 0.00 0.38 0.00 0.00 41.96 42.44 1de4 s TYR 63 CO 0.54 -0.30 0.03 -1.17 -1.52 0.00 0.00 175.55 173.14 1de4 s LEU 64 N 0.42 1.95 -0.11 -3.49 2.96 -0.43 -2.70 118.68 117.28 1de4 s LEU 64 Ca -0.01 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 1de4 s LEU 64 Cb -0.04 0.27 0.01 0.00 0.50 0.00 0.00 46.19 46.92 1de4 s LEU 64 CO -0.01 -0.24 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.34 1de4 s LEU 65 N -1.05 2.02 0.06 -0.68 2.96 -1.26 -2.12 118.68 118.61 1de4 s LEU 65 Ca -0.11 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.30 1de4 s LEU 65 Cb -0.07 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 45.24 1de4 s LEU 65 CO -0.00 0.10 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.75 1de4 s TYR 66 N 0.61 2.82 -0.27 5.38 1.51 -0.51 0.25 117.35 127.15 1de4 s TYR 66 Ca -0.13 -0.10 -0.24 0.00 -1.01 0.00 0.00 57.07 55.59 1de4 s TYR 66 Cb -0.17 -1.52 0.08 0.00 -0.11 0.00 0.00 41.96 40.25 1de4 s TYR 66 CO 0.03 0.40 0.78 1.52 -1.11 0.00 0.00 175.55 177.17 1de4 s TYR 67 N -1.13 -0.75 0.09 2.71 1.13 0.88 -1.86 117.35 118.42 1de4 s TYR 67 Ca 0.20 1.79 0.06 0.00 -1.41 0.00 0.00 57.07 57.71 1de4 s TYR 67 Cb -0.11 0.32 -0.03 0.00 -1.10 0.00 0.00 41.96 41.03 1de4 s TYR 67 CO 0.11 -0.36 -0.16 0.99 -2.51 0.00 0.00 175.55 173.62 1de4 s THR 68 N 0.46 1.31 0.03 -3.49 2.01 -0.98 -1.80 115.64 113.18 1de4 s THR 68 Ca -0.00 -1.43 -0.27 0.00 0.31 0.00 0.00 61.69 60.30 1de4 s THR 68 Cb -0.05 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 1de4 s THR 68 CO -0.02 -0.21 0.83 -0.70 -0.69 0.00 0.00 174.62 173.83 1de4 s GLU 69 N -1.93 4.54 0.12 4.92 2.12 -1.26 -1.40 118.70 125.80 1de4 s GLU 69 Ca 0.02 1.18 -0.14 0.00 0.36 0.00 0.00 54.97 56.39 1de4 s GLU 69 Cb -0.09 -3.40 0.02 0.00 0.26 0.00 0.00 34.13 30.92 1de4 s GLU 69 CO 0.03 0.16 0.34 -0.59 -0.54 0.00 0.00 175.26 174.66 1de4 s PHE 70 N 0.33 -0.06 -0.27 5.30 -0.71 -0.82 -4.93 117.98 116.82 1de4 s PHE 70 Ca 0.43 -0.29 0.00 0.00 -1.04 0.00 0.00 56.93 56.03 1de4 s PHE 70 Cb -0.21 0.15 0.05 0.00 -1.21 0.00 0.00 43.02 41.80 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 2.61 0.33 -4.49 -1.32 -1.26 0.22 115.64 107.90 1de4 s THR 71 Ca 0.04 -1.40 -0.27 0.00 -1.21 0.00 0.00 61.69 58.85 1de4 s THR 71 Cb 0.03 -2.47 -0.09 0.00 -1.51 0.00 0.00 72.50 68.46 1de4 s THR 71 CO -0.11 0.01 1.11 -2.16 -2.21 0.00 0.00 174.62 171.26 1de4 s PRO 72 N 1.21 4.42 0.06 7.08 0.04 -1.26 -4.85 135.00 141.70 1de4 s PRO 72 Ca -0.05 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1de4 s PRO 72 Cb -0.19 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 1de4 s PRO 72 CO -0.04 0.02 -0.05 0.95 0.04 0.00 0.00 177.00 177.93 1de4 s THR 73 N -1.32 0.40 -0.96 1.26 -4.23 -1.26 -0.60 115.64 108.94 1de4 s THR 73 Ca 0.50 -1.74 0.25 0.00 -1.18 0.00 0.00 61.69 59.51 1de4 s THR 73 Cb -0.30 -1.43 0.21 0.00 1.34 0.00 0.00 72.50 72.32 1de4 s THR 73 CO 0.38 -0.88 1.79 -0.62 -0.54 0.00 0.00 174.62 174.75 1de4 n GLU 74 N 0.25 0.03 -0.01 3.99 -0.58 -1.26 -3.48 120.64 119.58 1de4 n GLU 74 Ca -0.15 0.10 -0.20 0.00 -0.42 0.00 0.00 57.16 56.50 1de4 n GLU 74 Cb 0.60 -1.54 -0.14 0.00 -0.57 0.00 0.00 31.44 29.80 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 0.19 -6.94 3.49 6.56 -2.02 -3.47 116.57 114.38 1de4 h LYS 75 Ca 0.00 -0.32 -0.50 0.00 -1.06 0.00 0.00 60.65 58.77 1de4 h LYS 75 Cb 0.45 0.12 0.03 0.00 -0.57 0.00 0.00 32.23 32.26 1de4 h LYS 75 CO 0.00 1.15 0.46 -0.51 -2.06 0.00 0.00 179.45 178.49 1de4 s ASP 76 N -6.85 6.70 -0.06 0.86 1.01 -1.23 -5.06 116.67 112.04 1de4 s ASP 76 Ca -0.19 2.19 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 0.75 -0.54 -0.17 -1.61 0.21 0.00 0.00 175.17 173.81 1de4 s GLU 77 N -2.31 2.59 -0.02 8.23 0.41 -1.26 -4.78 118.70 121.56 1de4 s GLU 77 Ca 0.56 -0.75 0.06 0.00 -0.41 0.00 0.00 54.97 54.43 1de4 s GLU 77 Cb -0.27 -2.35 -0.01 0.00 -1.78 0.00 0.00 34.13 29.72 1de4 s GLU 77 CO 0.33 0.53 -0.19 0.71 -0.49 0.00 0.00 175.26 176.15 1de4 s TYR 78 N -0.49 1.74 -0.09 1.61 2.02 -1.26 0.69 117.35 121.57 1de4 s TYR 78 Ca 0.06 -0.35 -0.30 0.00 -0.37 0.00 0.00 57.07 56.10 1de4 s TYR 78 Cb -0.12 -1.13 0.12 0.00 -0.40 0.00 0.00 41.96 40.43 1de4 s TYR 78 CO 0.01 -0.05 0.99 0.00 -1.57 0.00 0.00 175.55 174.93 1de4 s ALA 79 N -0.39 -1.91 -0.05 3.71 0.00 -0.66 -0.11 121.76 122.36 1de4 s ALA 79 Ca 0.06 1.31 0.06 0.00 0.00 0.00 0.00 51.96 53.38 1de4 s ALA 79 Cb -0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1de4 s ALA 79 CO -0.00 -0.55 -0.22 0.00 0.00 0.00 0.00 175.76 174.98 1de4 s ARG 81 N -0.17 3.97 -0.20 0.00 1.70 -0.94 -2.66 118.95 120.65 1de4 s ARG 81 Ca -0.01 -0.27 -0.02 0.00 -0.47 0.00 0.00 55.73 54.96 1de4 s ARG 81 Cb -0.12 -3.29 -0.00 0.00 -0.57 0.00 0.00 34.95 30.97 1de4 s ARG 81 CO 0.02 0.36 -0.09 0.08 -1.08 0.00 0.00 175.30 174.59 1de4 s VAL 82 N 0.15 3.00 -0.21 4.99 1.01 -0.40 -2.63 120.40 126.30 1de4 s VAL 82 Ca 0.07 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 1de4 s VAL 82 Cb -0.12 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1de4 s VAL 82 CO -0.00 0.46 0.02 0.21 0.00 0.00 0.00 175.10 175.80 1de4 s ASN 83 N 1.30 5.01 0.32 3.32 3.84 -0.63 -2.79 114.94 125.31 1de4 s ASN 83 Ca 0.04 -0.16 0.03 0.00 0.21 0.00 0.00 52.86 52.98 1de4 s ASN 83 Cb -0.14 -1.87 -0.04 0.00 -0.55 0.00 0.00 41.25 38.65 1de4 s ASN 83 CO -0.05 0.06 0.15 -2.28 -2.79 0.00 0.00 177.10 172.19 1de4 s HIS 84 N 1.04 1.66 0.16 0.43 5.65 -1.26 -2.21 115.29 120.76 1de4 s HIS 84 Ca 0.03 -1.32 0.09 0.00 0.25 0.00 0.00 55.06 54.11 1de4 s HIS 84 Cb -0.14 -0.94 0.05 0.00 -1.18 0.00 0.00 32.58 30.36 1de4 s HIS 84 CO 0.02 -0.44 1.43 -0.39 -0.65 0.00 0.00 174.74 174.71 1de4 h VAL 85 N 2.14 1.53 0.00 0.89 -1.51 -1.93 -3.10 116.25 114.27 1de4 h VAL 85 Ca -0.34 -2.81 0.00 0.00 -1.23 0.00 0.00 66.70 62.32 1de4 h VAL 85 Cb 1.25 2.54 0.00 0.00 -2.13 0.00 0.00 31.29 32.95 1de4 h VAL 85 CO 0.54 0.79 0.00 0.35 -1.23 0.00 0.00 177.57 178.02 1de4 n THR 86 N -3.51 0.00 -5.18 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 -0.36 -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 -1.52 2.04 -0.01 3.22 1.43 -1.17 -4.93 118.68 117.74 1de4 s LEU 87 Ca 0.20 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.67 1de4 s LEU 87 Cb 0.09 -1.27 -0.09 0.00 0.03 0.00 0.00 46.19 44.95 1de4 s LEU 87 CO 0.15 0.25 0.81 0.28 0.23 0.00 0.00 176.35 178.08 1de4 h SER 88 N 5.90 -0.49 -3.57 2.29 0.02 -1.86 -3.44 113.55 112.39 1de4 h SER 88 Ca -0.35 0.02 -0.67 0.00 -0.84 0.00 0.00 61.79 59.95 1de4 h SER 88 Cb 1.16 0.13 -0.16 0.00 0.14 0.00 0.00 62.40 63.66 1de4 h SER 88 CO 0.47 -0.19 -0.76 -1.10 -1.14 0.00 0.00 176.83 174.11 1de4 s GLN 89 N -3.58 2.01 -0.68 3.45 1.11 -1.26 -5.04 119.66 115.68 1de4 s GLN 89 Ca -0.08 -1.09 -0.26 0.00 0.01 0.00 0.00 55.36 53.94 1de4 s GLN 89 Cb 0.01 -2.23 -0.13 0.00 -1.01 0.00 0.00 33.01 29.64 1de4 s GLN 89 CO 0.25 0.49 2.46 -0.35 0.01 0.00 0.00 175.29 178.15 1de4 n PRO 90 N 0.68 0.68 -1.67 2.91 -0.04 -1.26 -4.87 135.00 131.43 1de4 n PRO 90 Ca -0.14 -0.17 -0.46 0.00 -0.04 0.00 0.00 63.50 62.69 1de4 n PRO 90 Cb 0.53 -2.98 -0.04 0.00 -0.04 0.00 0.00 33.50 30.97 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 8.65 2.10 -4.36 0.54 4.81 -1.12 -4.61 118.16 124.17 1de4 n LYS 91 Ca 0.46 0.76 -0.31 0.00 -0.87 0.00 0.00 58.31 58.35 1de4 n LYS 91 Cb 0.40 -2.52 -0.10 0.00 0.02 0.00 0.00 35.03 32.83 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 1.06 3.68 -0.08 3.15 1.01 -1.26 -1.28 121.20 127.47 1de4 s ILE 92 Ca 0.80 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 60.54 1de4 s ILE 92 Cb -0.69 -2.65 0.03 0.00 0.01 0.00 0.00 42.46 39.16 1de4 s ILE 92 CO 0.39 0.30 0.01 -0.69 0.00 0.00 0.00 174.94 174.95 1de4 s VAL 93 N -1.09 0.32 0.59 2.92 1.01 -1.09 -5.02 120.40 118.04 1de4 s VAL 93 Ca 0.19 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.19 1de4 s VAL 93 Cb -0.11 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 1de4 s VAL 93 CO 0.10 0.21 0.96 -0.54 0.00 0.00 0.00 175.10 175.83 1de4 s LYS 94 N 1.99 3.38 -0.43 2.72 1.02 -1.26 -2.39 119.74 124.76 1de4 s LYS 94 Ca 0.05 0.45 -0.22 0.00 0.02 0.00 0.00 55.97 56.27 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 -0.56 0.72 -0.46 -0.92 0.00 0.00 175.35 174.07 1de4 s TRP 95 N -3.06 3.04 -0.60 3.18 -0.00 0.84 -4.84 118.94 117.51 1de4 s TRP 95 Ca 0.53 0.12 -0.27 0.00 -0.00 0.00 0.00 56.10 56.48 1de4 s TRP 95 Cb -0.11 -3.48 0.01 0.00 -0.00 0.00 0.00 33.47 29.89 1de4 s TRP 95 CO 0.50 -0.89 1.52 0.34 -0.00 0.00 0.00 176.95 178.42 1de4 s ASP 96 N 2.04 5.90 0.31 5.86 2.15 -1.26 -4.85 116.67 126.81 1de4 s ASP 96 Ca 0.27 0.20 0.23 0.00 0.43 0.00 0.00 52.55 53.67 1de4 s ASP 96 Cb -0.13 -2.54 1.04 0.00 -0.30 0.00 0.00 42.92 40.98 1de4 s ASP 96 CO 0.20 -1.91 1.07 0.54 -0.17 0.00 0.00 175.17 174.90 1de4 n ARG 97 N 8.94 -0.02 0.10 4.34 5.12 -1.26 0.52 116.66 134.39 1de4 n ARG 97 Ca 0.13 0.85 0.01 0.00 -1.93 0.00 0.00 57.85 56.91 1de4 n ARG 97 Cb 0.50 -1.70 0.32 0.00 -1.16 0.00 0.00 32.46 30.42 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 0.25 -0.02 0.55 3.32 -2.00 -3.43 116.42 115.09 1de4 h ASP 98 Ca 0.61 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.59 1de4 h ASP 98 Cb 1.99 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.48 1de4 h ASP 98 CO -0.30 0.49 0.00 0.23 -1.72 0.00 0.00 179.24 177.94