#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4l s GLN 2 N 0.00 0.57 0.01 9.51 0.74 -1.26 -4.60 119.66 124.63 1p4l s GLN 2 Ca 0.00 1.33 0.07 0.00 0.05 0.00 0.00 55.36 56.81 1p4l s GLN 2 Cb 0.00 0.79 -0.02 0.00 1.10 0.00 0.00 33.01 34.88 1p4l s GLN 2 CO 0.00 -0.31 -0.22 0.15 -0.55 0.00 0.00 175.29 174.36 1p4l s LYS 3 N 2.88 1.66 0.17 1.67 1.02 0.62 -4.95 119.74 122.81 1p4l s LYS 3 Ca 0.01 -0.87 -0.28 0.00 0.02 0.00 0.00 55.97 54.85 1p4l s LYS 3 Cb -0.13 -1.68 -0.07 0.00 -0.52 0.00 0.00 37.83 35.43 1p4l s LYS 3 CO -0.19 0.45 0.89 0.99 -0.92 0.00 0.00 175.35 176.56 1p4l s THR 4 N -0.63 4.33 0.80 2.17 2.01 -1.26 -2.52 115.64 120.54 1p4l s THR 4 Ca 0.09 1.94 -0.11 0.00 0.31 0.00 0.00 61.69 63.91 1p4l s THR 4 Cb -0.09 -4.26 0.07 0.00 0.01 0.00 0.00 72.50 68.23 1p4l s THR 4 CO 0.00 0.44 1.09 -2.16 -0.69 0.00 0.00 174.62 173.30 1p4l s PRO 5 N -0.73 2.10 -0.04 4.92 0.04 -1.26 -4.35 135.00 135.68 1p4l s PRO 5 Ca 0.41 0.72 0.05 0.00 0.04 0.00 0.00 61.00 62.21 1p4l s PRO 5 Cb -0.24 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.38 1p4l s PRO 5 CO 0.29 -1.63 -0.18 -0.65 0.04 0.00 0.00 177.00 174.87 1p4l s GLN 6 N -5.11 1.86 0.09 4.56 -1.52 0.62 -4.94 119.66 115.22 1p4l s GLN 6 Ca 0.61 -0.65 0.08 0.00 -1.95 0.00 0.00 55.36 53.45 1p4l s GLN 6 Cb -0.15 -1.62 -0.03 0.00 -0.22 0.00 0.00 33.01 30.99 1p4l s GLN 6 CO 0.55 0.27 -0.20 0.42 -0.25 0.00 0.00 175.29 176.08 1p4l s ILE 7 N -0.01 1.61 -0.07 1.08 1.01 -1.26 -0.51 121.20 123.05 1p4l s ILE 7 Ca -0.03 -1.48 -0.03 0.00 0.00 0.00 0.00 60.65 59.11 1p4l s ILE 7 Cb -0.12 -1.47 0.04 0.00 0.01 0.00 0.00 42.46 40.93 1p4l s ILE 7 CO 0.02 -0.07 0.13 -1.10 0.00 0.00 0.00 174.94 173.93 1p4l s GLN 8 N -1.83 0.02 -0.60 2.79 -0.21 -1.21 -4.95 119.66 113.67 1p4l s GLN 8 Ca 0.05 0.48 -0.05 0.00 0.02 0.00 0.00 55.36 55.86 1p4l s GLN 8 Cb -0.10 -0.30 0.16 0.00 1.00 0.00 0.00 33.01 33.77 1p4l s GLN 8 CO 0.04 -0.28 0.43 0.08 -2.12 0.00 0.00 175.29 173.44 1p4l s VAL 9 N 2.01 3.90 0.30 1.09 1.01 -1.25 -1.79 120.40 125.67 1p4l s VAL 9 Ca 0.01 -2.68 0.07 0.00 0.00 0.00 0.00 61.98 59.38 1p4l s VAL 9 Cb -0.12 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 1p4l s VAL 9 CO -0.05 -0.86 -0.06 -0.72 0.00 0.00 0.00 175.10 173.41 1p4l s TYR 10 N 0.25 2.09 0.28 5.22 1.13 -0.47 -3.98 117.35 121.88 1p4l s TYR 10 Ca 0.15 -0.66 0.09 0.00 -1.41 0.00 0.00 57.07 55.24 1p4l s TYR 10 Cb -0.20 -1.21 -0.04 0.00 -1.10 0.00 0.00 41.96 39.40 1p4l s TYR 10 CO -0.04 0.35 0.06 -1.54 -2.51 0.00 0.00 175.55 171.87 1p4l s SER 11 N -3.50 4.70 0.00 -0.18 1.04 -1.26 0.81 113.70 115.31 1p4l s SER 11 Ca 0.31 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1p4l s SER 11 Cb 0.04 -0.88 0.00 0.00 0.10 0.00 0.00 66.02 65.27 1p4l s SER 11 CO 0.13 -0.08 0.39 0.54 0.98 0.00 0.00 173.24 175.20 1p4l n ARG 12 N -1.00 0.00 -3.32 4.02 5.12 -0.98 -4.85 116.66 115.66 1p4l n ARG 12 Ca -0.06 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.54 1p4l n ARG 12 Cb 0.59 -0.89 -0.06 0.00 -1.16 0.00 0.00 32.46 30.95 1p4l n ARG 12 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1p4l s HIS 13 N -0.78 3.44 -0.12 -1.55 3.76 -1.26 -5.00 115.29 113.78 1p4l s HIS 13 Ca 0.00 1.02 -0.42 0.00 -0.15 0.00 0.00 55.06 55.51 1p4l s HIS 13 Cb 0.00 -2.37 -0.20 0.00 1.11 0.00 0.00 32.58 31.12 1p4l s HIS 13 CO 0.00 0.25 1.21 -2.30 -0.85 0.00 0.00 174.74 173.04 1p4l n PRO 14 N -0.03 0.02 -1.62 8.40 -0.02 -1.26 -4.79 135.00 135.69 1p4l n PRO 14 Ca 0.00 0.01 -0.49 0.00 -2.02 0.00 0.00 63.50 61.00 1p4l n PRO 14 Cb 0.52 -1.51 -0.05 0.00 -0.02 0.00 0.00 33.50 32.44 1p4l n PRO 14 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1p4l n PRO 15 N 2.16 1.80 -3.72 0.52 -0.02 -1.26 -4.97 135.00 129.50 1p4l n PRO 15 Ca 0.23 0.62 -0.29 0.00 -2.02 0.00 0.00 63.50 62.03 1p4l n PRO 15 Cb 0.05 -2.61 -0.15 0.00 -0.02 0.00 0.00 33.50 30.76 1p4l n PRO 15 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1p4l s GLU 16 N 4.77 0.68 -0.40 -0.52 2.02 -1.26 -5.06 118.70 118.93 1p4l s GLU 16 Ca 0.98 -0.89 -0.45 0.00 0.02 0.00 0.00 54.97 54.62 1p4l s GLU 16 Cb -0.73 -1.94 -0.20 0.00 0.10 0.00 0.00 34.13 31.36 1p4l s GLU 16 CO 0.51 -0.91 1.53 0.09 0.02 0.00 0.00 175.26 176.49 1p4l n ASN 17 N 4.92 1.11 0.00 -0.19 4.13 -1.26 -0.66 115.26 123.31 1p4l n ASN 17 Ca -0.04 1.18 0.00 0.00 1.68 0.00 0.00 54.58 57.40 1p4l n ASN 17 Cb 0.43 -0.91 0.00 0.00 -1.54 0.00 0.00 39.78 37.76 1p4l n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p4l n GLY 18 N 3.62 1.62 3.88 7.41 0.00 -1.22 -4.93 105.19 115.57 1p4l n GLY 18 Ca 0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 1p4l n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p4l s LYS 19 N -0.62 3.51 1.22 1.61 -0.14 0.17 -5.02 119.74 120.47 1p4l s LYS 19 Ca 0.00 -0.12 -0.18 0.00 -1.36 0.00 0.00 55.97 54.31 1p4l s LYS 19 Cb 0.00 -3.14 0.29 0.00 -1.68 0.00 0.00 37.83 33.30 1p4l s LYS 19 CO 0.00 0.71 1.05 -2.14 -0.76 0.00 0.00 175.35 174.21 1p4l s PRO 20 N -1.46 -1.38 0.00 -1.68 0.02 -1.26 -4.24 135.00 125.00 1p4l s PRO 20 Ca 0.22 0.22 0.00 0.00 0.02 0.00 0.00 61.00 61.46 1p4l s PRO 20 Cb -0.13 -1.55 0.00 0.00 0.02 0.00 0.00 34.50 32.84 1p4l s PRO 20 CO 0.12 -3.88 0.00 -1.71 -0.33 0.00 0.00 177.00 171.20 1p4l n ASN 21 N -4.93 0.00 -3.88 2.53 2.85 0.86 -4.87 115.26 107.81 1p4l n ASN 21 Ca 0.10 -0.49 -0.16 0.00 -0.11 0.00 0.00 54.58 53.92 1p4l n ASN 21 Cb 0.58 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.45 1p4l n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1p4l s ILE 22 N -2.19 0.27 -0.20 -1.44 1.01 -1.26 -0.62 121.20 116.78 1p4l s ILE 22 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 1p4l s ILE 22 Cb 0.00 -0.29 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 1p4l s ILE 22 CO 0.00 0.12 -0.01 -0.22 0.00 0.00 0.00 174.94 174.83 1p4l s LEU 23 N 0.45 3.20 -0.04 2.97 2.96 -0.84 -2.33 118.68 125.05 1p4l s LEU 23 Ca -0.05 -0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 53.64 1p4l s LEU 23 Cb -0.08 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1p4l s LEU 23 CO -0.01 0.07 -0.00 0.20 -1.32 0.00 0.00 176.35 175.29 1p4l s ASN 24 N 0.97 5.13 -0.36 3.68 0.01 0.24 -2.26 114.94 122.34 1p4l s ASN 24 Ca 0.01 0.06 0.01 0.00 -0.71 0.00 0.00 52.86 52.23 1p4l s ASN 24 Cb -0.14 -1.38 0.11 0.00 0.41 0.00 0.00 41.25 40.25 1p4l s ASN 24 CO 0.01 0.33 0.14 0.00 -1.51 0.00 0.00 177.10 176.07 1p4l s TYR 26 N 1.00 3.06 -0.36 0.00 5.04 -0.74 -2.11 117.35 123.24 1p4l s TYR 26 Ca 0.13 -1.11 -0.21 0.00 -2.44 0.00 0.00 57.07 53.44 1p4l s TYR 26 Cb -0.20 -4.10 0.00 0.00 0.35 0.00 0.00 41.96 38.01 1p4l s TYR 26 CO -0.13 -1.36 0.66 0.08 -1.34 0.00 0.00 175.55 173.46 1p4l s VAL 27 N 2.63 4.86 0.28 3.14 1.01 -0.98 -3.30 120.40 128.03 1p4l s VAL 27 Ca 0.19 0.62 0.02 0.00 0.00 0.00 0.00 61.98 62.80 1p4l s VAL 27 Cb -0.17 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 1p4l s VAL 27 CO 0.02 -0.34 0.09 0.42 0.00 0.00 0.00 175.10 175.29 1p4l s THR 28 N 2.78 0.67 -1.19 3.92 -4.23 0.33 -2.31 115.64 115.61 1p4l s THR 28 Ca 0.25 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.75 1p4l s THR 28 Cb -0.14 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1p4l s THR 28 CO 0.15 0.00 1.00 0.00 -0.54 0.00 0.00 174.62 175.23 1p4l n GLN 29 N -0.53 -6.64 -4.48 3.99 6.02 -0.36 -0.28 117.38 115.10 1p4l n GLN 29 Ca -0.00 0.83 -0.23 0.00 -0.01 0.00 0.00 57.00 57.59 1p4l n GLN 29 Cb 0.66 -5.80 -0.10 0.00 1.02 0.00 0.00 30.24 26.02 1p4l n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1p4l s PHE 30 N -3.35 2.00 -0.29 1.08 -0.71 -1.18 -4.16 117.98 111.36 1p4l s PHE 30 Ca 0.06 -0.96 -0.25 0.00 -1.04 0.00 0.00 56.93 54.75 1p4l s PHE 30 Cb -0.03 -1.32 0.16 0.00 -1.21 0.00 0.00 43.02 40.62 1p4l s PHE 30 CO 0.71 0.02 1.27 -1.58 -1.34 0.00 0.00 175.22 174.31 1p4l s HIS 31 N -3.23 -0.23 1.18 3.49 2.46 -1.05 -1.45 115.29 116.46 1p4l s HIS 31 Ca 0.34 0.56 -0.13 0.00 0.47 0.00 0.00 55.06 56.30 1p4l s HIS 31 Cb 0.08 0.42 0.29 0.00 -0.13 0.00 0.00 32.58 33.24 1p4l s HIS 31 CO 0.15 -0.11 1.02 -2.14 -2.47 0.00 0.00 174.74 171.19 1p4l s PRO 32 N 0.16 -1.04 0.51 2.88 0.02 -1.26 -0.27 135.00 135.99 1p4l s PRO 32 Ca 0.05 0.72 0.32 0.00 0.02 0.00 0.00 61.00 62.10 1p4l s PRO 32 Cb -0.05 -1.55 1.23 0.00 0.02 0.00 0.00 34.50 34.15 1p4l s PRO 32 CO -0.12 -3.77 1.92 -1.00 -0.33 0.00 0.00 177.00 173.70 1p4l h PRO 33 N -2.65 0.00 -6.14 5.54 0.13 -2.00 -3.42 132.00 123.45 1p4l h PRO 33 Ca -0.61 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 63.94 1p4l h PRO 33 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1p4l h PRO 33 CO 0.50 0.00 1.37 -1.58 -0.23 0.00 0.00 178.00 178.07 1p4l s HIS 34 N -3.58 1.49 0.06 1.56 5.65 -1.26 -4.94 115.29 114.27 1p4l s HIS 34 Ca 0.02 0.54 -0.07 0.00 0.25 0.00 0.00 55.06 55.81 1p4l s HIS 34 Cb 0.09 -4.03 -0.01 0.00 -1.18 0.00 0.00 32.58 27.45 1p4l s HIS 34 CO 0.54 -3.59 0.13 -1.50 -0.65 0.00 0.00 174.74 169.67 1p4l s ILE 35 N 7.42 0.15 -0.10 0.89 2.07 -1.26 -4.51 121.20 125.86 1p4l s ILE 35 Ca 0.90 -1.20 -0.01 0.00 -1.41 0.00 0.00 60.65 58.93 1p4l s ILE 35 Cb -0.28 -1.16 0.03 0.00 0.13 0.00 0.00 42.46 41.18 1p4l s ILE 35 CO 0.34 -0.66 -0.05 -0.70 -1.91 0.00 0.00 174.94 171.97 1p4l s GLU 36 N -3.26 1.16 -0.05 3.50 2.12 -0.88 -5.04 118.70 116.24 1p4l s GLU 36 Ca 0.00 -0.11 0.05 0.00 0.36 0.00 0.00 54.97 55.28 1p4l s GLU 36 Cb 0.02 -1.34 -0.02 0.00 0.26 0.00 0.00 34.13 33.06 1p4l s GLU 36 CO -0.08 -0.27 -0.22 0.42 -0.54 0.00 0.00 175.26 174.57 1p4l s ILE 37 N 1.79 2.37 0.07 -3.70 -1.09 -1.26 -0.88 121.20 118.48 1p4l s ILE 37 Ca 0.04 -0.96 0.02 0.00 -2.23 0.00 0.00 60.65 57.52 1p4l s ILE 37 Cb -0.12 -1.88 -0.03 0.00 -1.58 0.00 0.00 42.46 38.84 1p4l s ILE 37 CO -0.07 0.57 -0.07 -1.10 -1.23 0.00 0.00 174.94 173.04 1p4l s GLN 38 N -0.34 0.67 -0.05 2.79 -0.21 -0.65 -5.01 119.66 116.87 1p4l s GLN 38 Ca 0.02 -1.04 0.06 0.00 0.02 0.00 0.00 55.36 54.42 1p4l s GLN 38 Cb -0.12 -0.23 -0.02 0.00 1.00 0.00 0.00 33.01 33.64 1p4l s GLN 38 CO 0.02 0.01 -0.23 -1.64 -2.12 0.00 0.00 175.29 171.33 1p4l s MET 39 N -2.71 2.46 -0.12 2.91 -1.94 -1.26 -1.48 119.30 117.16 1p4l s MET 39 Ca 0.01 -0.87 0.03 0.00 -1.71 0.00 0.00 55.69 53.15 1p4l s MET 39 Cb -0.02 -2.19 0.00 0.00 2.01 0.00 0.00 34.83 34.63 1p4l s MET 39 CO -0.02 0.47 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.72 1p4l s LEU 40 N -0.36 2.14 -0.01 -0.03 1.43 -0.34 -2.52 118.68 119.00 1p4l s LEU 40 Ca 0.03 -0.56 0.15 0.00 -1.03 0.00 0.00 54.13 52.72 1p4l s LEU 40 Cb -0.12 -1.44 0.45 0.00 0.03 0.00 0.00 46.19 45.11 1p4l s LEU 40 CO 0.02 0.13 1.37 2.29 0.23 0.00 0.00 176.35 180.38 1p4l n LYS 41 N 3.74 2.21 0.00 1.70 0.00 -1.12 -1.38 118.16 123.31 1p4l n LYS 41 Ca -0.19 -1.81 0.00 0.00 -0.00 0.00 0.00 58.31 56.30 1p4l n LYS 41 Cb 0.52 -1.41 0.00 0.00 -0.00 0.00 0.00 35.03 34.14 1p4l n LYS 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1p4l n ASN 42 N 0.95 0.00 0.00 -5.58 3.02 -1.03 -4.29 115.26 108.33 1p4l n ASN 42 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1p4l n ASN 42 Cb 0.44 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 1p4l n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p4l n GLY 43 N 0.00 0.05 3.90 7.41 0.00 -1.26 -4.88 105.19 110.40 1p4l n GLY 43 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1p4l n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p4l s LYS 44 N 0.00 3.60 1.14 1.61 1.02 -1.26 -4.98 119.74 120.88 1p4l s LYS 44 Ca 0.00 -0.10 -0.15 0.00 0.02 0.00 0.00 55.97 55.73 1p4l s LYS 44 Cb 0.00 -2.92 0.20 0.00 -0.52 0.00 0.00 37.83 34.59 1p4l s LYS 44 CO 0.00 0.52 0.57 1.17 -0.92 0.00 0.00 175.35 176.70 1p4l n LYS 45 N 0.35 -2.01 -4.25 1.68 4.81 -1.26 -2.79 118.16 114.69 1p4l n LYS 45 Ca -0.05 -0.56 -0.18 0.00 -0.87 0.00 0.00 58.31 56.65 1p4l n LYS 45 Cb 0.52 -1.96 -0.11 0.00 0.02 0.00 0.00 35.03 33.49 1p4l n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1p4l s ILE 46 N -2.34 1.37 0.00 3.15 1.01 -1.05 -4.65 121.20 118.70 1p4l s ILE 46 Ca 0.63 -1.72 0.00 0.00 0.00 0.00 0.00 60.65 59.55 1p4l s ILE 46 Cb -0.20 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.72 1p4l s ILE 46 CO 0.66 -0.40 0.00 -2.65 0.00 0.00 0.00 174.94 172.55 1p4l n PRO 47 N 0.53 0.00 -0.01 2.79 -0.02 -1.26 -3.63 135.00 133.40 1p4l n PRO 47 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1p4l n PRO 47 Cb 0.57 -0.36 0.00 0.00 -0.02 0.00 0.00 33.50 33.69 1p4l n PRO 47 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1p4l n LYS 48 N 0.90 0.00 -1.54 -0.52 5.02 -1.26 -4.68 118.16 116.08 1p4l n LYS 48 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1p4l n LYS 48 Cb 0.00 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 1p4l n LYS 48 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1p4l n VAL 49 N -0.15 -2.73 -3.16 -0.18 0.31 -1.24 -4.85 118.33 106.32 1p4l n VAL 49 Ca 0.00 1.35 -0.40 0.00 -0.01 0.00 0.00 64.34 65.28 1p4l n VAL 49 Cb 0.00 -2.21 -0.06 0.00 -0.91 0.00 0.00 33.84 30.66 1p4l n VAL 49 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1p4l s GLU 50 N -5.13 4.22 -0.52 5.55 2.02 -0.90 -4.96 118.70 118.98 1p4l s GLU 50 Ca 0.00 0.56 -0.16 0.00 0.02 0.00 0.00 54.97 55.38 1p4l s GLU 50 Cb 0.00 -3.56 0.10 0.00 0.10 0.00 0.00 34.13 30.77 1p4l s GLU 50 CO 0.00 -0.19 0.50 -1.64 0.02 0.00 0.00 175.26 173.95 1p4l s MET 51 N 1.75 3.00 0.61 1.61 -1.94 -1.26 -1.51 119.30 121.56 1p4l s MET 51 Ca 0.27 -1.47 -0.18 0.00 -1.71 0.00 0.00 55.69 52.60 1p4l s MET 51 Cb -0.16 -4.22 -0.04 0.00 2.01 0.00 0.00 34.83 32.42 1p4l s MET 51 CO 0.10 -1.24 0.99 0.45 -0.01 0.00 0.00 175.02 175.31 1p4l n SER 52 N 5.44 0.84 -4.75 3.03 2.88 0.19 -4.86 113.62 116.39 1p4l n SER 52 Ca -0.12 0.80 -0.41 0.00 -1.33 0.00 0.00 58.87 57.81 1p4l n SER 52 Cb 0.42 -1.40 -0.03 0.00 -0.75 0.00 0.00 64.21 62.45 1p4l n SER 52 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1p4l s ASP 53 N -1.28 6.93 0.69 -3.46 1.11 -1.26 -4.33 116.67 115.06 1p4l s ASP 53 Ca 0.77 2.45 -0.13 0.00 0.18 0.00 0.00 52.55 55.82 1p4l s ASP 53 Cb -0.41 -2.62 0.01 0.00 1.07 0.00 0.00 42.92 40.97 1p4l s ASP 53 CO 0.46 -0.46 1.09 0.00 1.18 0.00 0.00 175.17 177.44 1p4l s MET 54 N -0.79 2.73 0.40 8.23 0.23 -1.26 -4.76 119.30 124.07 1p4l s MET 54 Ca 0.52 1.23 -0.14 0.00 -1.03 0.00 0.00 55.69 56.27 1p4l s MET 54 Cb -0.37 -1.95 0.06 0.00 -1.53 0.00 0.00 34.83 31.04 1p4l s MET 54 CO 0.43 -1.28 0.78 -1.54 -2.03 0.00 0.00 175.02 171.38 1p4l s SER 55 N -3.03 0.09 0.04 -1.18 1.04 -1.13 -5.00 113.70 104.53 1p4l s SER 55 Ca 0.63 -1.23 -0.07 0.00 0.48 0.00 0.00 55.95 55.77 1p4l s SER 55 Cb -0.18 0.86 -0.01 0.00 0.10 0.00 0.00 66.02 66.79 1p4l s SER 55 CO 0.47 -1.71 0.13 0.72 0.98 0.00 0.00 173.24 173.82 1p4l s PHE 56 N -2.16 0.16 0.37 5.02 -0.12 -1.26 0.16 117.98 120.16 1p4l s PHE 56 Ca 0.17 -0.45 0.05 0.00 -0.05 0.00 0.00 56.93 56.65 1p4l s PHE 56 Cb -0.05 -0.11 -0.00 0.00 -0.63 0.00 0.00 43.02 42.23 1p4l s PHE 56 CO 0.12 -0.39 0.53 -1.54 -0.05 0.00 0.00 175.22 173.90 1p4l s SER 57 N -2.15 5.89 0.25 1.98 1.04 -0.82 -4.91 113.70 114.98 1p4l s SER 57 Ca -0.04 -0.10 0.12 0.00 0.48 0.00 0.00 55.95 56.40 1p4l s SER 57 Cb -0.01 -1.24 0.86 0.00 0.10 0.00 0.00 66.02 65.73 1p4l s SER 57 CO -0.05 -0.55 1.13 0.29 0.98 0.00 0.00 173.24 175.05 1p4l n LYS 58 N -1.78 -0.05 0.00 4.02 5.02 -1.26 0.27 118.16 124.38 1p4l n LYS 58 Ca 0.01 1.01 0.05 0.00 -2.02 0.00 0.00 58.31 57.36 1p4l n LYS 58 Cb 0.58 -1.76 0.21 0.00 -0.02 0.00 0.00 35.03 34.05 1p4l n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1p4l n ASP 59 N -4.71 0.00 0.00 4.39 5.75 -1.26 -4.86 116.55 115.86 1p4l n ASP 59 Ca 0.25 0.37 0.00 0.00 -0.01 0.00 0.00 54.79 55.40 1p4l n ASP 59 Cb 0.83 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1p4l n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1p4l n TRP 60 N -1.42 0.00 -1.99 2.11 7.02 0.76 -5.04 117.44 118.87 1p4l n TRP 60 Ca 0.03 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.15 1p4l n TRP 60 Cb 0.10 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.02 1p4l n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1p4l s SER 61 N -1.11 5.23 0.35 -0.99 1.04 -1.26 -4.64 113.70 112.32 1p4l s SER 61 Ca 0.00 2.43 -0.06 0.00 0.48 0.00 0.00 55.95 58.80 1p4l s SER 61 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 1p4l s SER 61 CO 0.00 -1.57 0.65 -0.36 0.98 0.00 0.00 173.24 172.94 1p4l s PHE 62 N -1.55 3.49 0.25 5.02 0.40 -0.53 -1.94 117.98 123.12 1p4l s PHE 62 Ca 0.76 0.76 0.02 0.00 -0.60 0.00 0.00 56.93 57.88 1p4l s PHE 62 Cb -0.32 -2.22 -0.05 0.00 0.51 0.00 0.00 43.02 40.95 1p4l s PHE 62 CO 0.35 0.03 0.05 0.71 0.70 0.00 0.00 175.22 177.06 1p4l s TYR 63 N -2.27 1.58 0.00 0.36 1.51 0.12 -1.22 117.35 117.44 1p4l s TYR 63 Ca 0.46 -1.05 0.00 0.00 -1.01 0.00 0.00 57.07 55.47 1p4l s TYR 63 Cb -0.10 -0.95 0.00 0.00 -0.11 0.00 0.00 41.96 40.80 1p4l s TYR 63 CO 0.33 -0.18 0.00 1.51 -1.11 0.00 0.00 175.55 176.10 1p4l n ILE 64 N -0.47 0.00 -3.97 2.71 3.06 -0.98 -2.83 119.36 116.88 1p4l n ILE 64 Ca -0.02 0.00 -0.28 0.00 -2.50 0.00 0.00 62.75 59.94 1p4l n ILE 64 Cb 0.65 0.00 -0.17 0.00 0.54 0.00 0.00 39.64 40.67 1p4l n ILE 64 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 1p4l s LEU 65 N 0.00 1.40 -0.22 9.51 2.96 -1.26 -2.33 118.68 128.74 1p4l s LEU 65 Ca 0.00 -0.38 -0.07 0.00 -0.22 0.00 0.00 54.13 53.46 1p4l s LEU 65 Cb 0.00 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 1p4l s LEU 65 CO 0.00 -0.09 0.07 0.00 -1.32 0.00 0.00 176.35 175.01 1p4l s ALA 66 N 1.59 3.28 0.02 5.97 0.00 -0.90 0.55 121.76 132.28 1p4l s ALA 66 Ca 0.04 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.08 1p4l s ALA 66 Cb -0.13 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 1p4l s ALA 66 CO -0.09 -0.16 -0.06 -3.38 0.00 0.00 0.00 175.76 172.07 1p4l s HIS 67 N 1.02 0.50 -0.21 0.00 -3.43 -0.57 -1.56 115.29 111.04 1p4l s HIS 67 Ca 0.04 -0.33 -0.10 0.00 -0.80 0.00 0.00 55.06 53.87 1p4l s HIS 67 Cb -0.14 -0.31 0.08 0.00 -1.43 0.00 0.00 32.58 30.78 1p4l s HIS 67 CO 0.03 -0.07 0.48 -0.08 -2.00 0.00 0.00 174.74 173.11 1p4l s THR 68 N -0.89 -0.30 0.27 -5.38 -1.32 -0.96 -2.11 115.64 104.96 1p4l s THR 68 Ca -0.06 0.09 -0.29 0.00 -1.21 0.00 0.00 61.69 60.22 1p4l s THR 68 Cb -0.07 -0.73 -0.14 0.00 -1.51 0.00 0.00 72.50 70.06 1p4l s THR 68 CO 0.00 0.04 1.18 -1.84 -2.21 0.00 0.00 174.62 171.79 1p4l n GLU 69 N 4.73 1.64 -3.62 7.08 0.00 -1.26 -1.98 120.64 127.22 1p4l n GLU 69 Ca -0.17 0.58 -0.15 0.00 0.00 0.00 0.00 57.16 57.42 1p4l n GLU 69 Cb 0.54 -2.07 -0.07 0.00 0.00 0.00 0.00 31.44 29.84 1p4l n GLU 69 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.13 176.54 1p4l s PHE 70 N -0.73 -0.41 -0.40 -1.84 -0.71 0.21 -4.83 117.98 109.28 1p4l s PHE 70 Ca 0.62 0.59 0.01 0.00 -1.04 0.00 0.00 56.93 57.11 1p4l s PHE 70 Cb -0.68 0.27 0.11 0.00 -1.21 0.00 0.00 43.02 41.51 1p4l s PHE 70 CO 0.57 -0.55 0.15 0.99 -1.34 0.00 0.00 175.22 175.04 1p4l s THR 71 N -1.71 2.77 0.00 -4.49 2.01 -1.26 -0.10 115.64 112.85 1p4l s THR 71 Ca -0.10 -2.35 0.00 0.00 0.31 0.00 0.00 61.69 59.55 1p4l s THR 71 Cb -0.02 -2.96 0.00 0.00 0.01 0.00 0.00 72.50 69.54 1p4l s THR 71 CO 0.04 -0.67 0.00 -0.81 -0.69 0.00 0.00 174.62 172.49 1p4l n PRO 72 N 4.24 1.77 0.00 4.92 -0.04 -1.26 -4.80 135.00 139.84 1p4l n PRO 72 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1p4l n PRO 72 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 1p4l n PRO 72 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1p4l n THR 73 N -0.29 0.00 -1.77 0.52 5.66 -1.26 -3.38 114.28 113.76 1p4l n THR 73 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1p4l n THR 73 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1p4l n THR 73 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1p4l n GLU 74 N 0.00 0.00 0.00 1.09 1.02 -1.26 -4.85 120.64 116.64 1p4l n GLU 74 Ca 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1p4l n GLU 74 Cb 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 31.44 31.30 1p4l n GLU 74 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1p4l n THR 75 N 0.00 0.00 -4.59 2.62 -2.24 -1.26 -4.90 114.28 103.91 1p4l n THR 75 Ca 0.00 0.86 -0.28 0.00 -2.27 0.00 0.00 64.05 62.36 1p4l n THR 75 Cb 0.45 -1.60 -0.08 0.00 -2.10 0.00 0.00 70.33 66.99 1p4l n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1p4l s ASP 76 N -2.51 3.23 -0.21 3.42 1.01 -1.26 -5.13 116.67 115.21 1p4l s ASP 76 Ca 0.00 -1.61 -0.09 0.00 0.71 0.00 0.00 52.55 51.56 1p4l s ASP 76 Cb 0.00 0.37 -0.04 0.00 1.01 0.00 0.00 42.92 44.26 1p4l s ASP 76 CO 0.00 -0.83 0.10 0.42 0.21 0.00 0.00 175.17 175.07 1p4l s THR 77 N -3.08 5.01 -0.00 -1.27 -4.23 -1.26 -4.87 115.64 105.93 1p4l s THR 77 Ca 0.21 0.05 -0.01 0.00 -1.18 0.00 0.00 61.69 60.76 1p4l s THR 77 Cb 0.04 -3.29 -0.04 0.00 1.34 0.00 0.00 72.50 70.54 1p4l s THR 77 CO 0.11 0.41 0.11 -0.31 -0.54 0.00 0.00 174.62 174.40 1p4l s TYR 78 N 0.68 3.35 0.35 3.99 1.51 -1.26 -2.47 117.35 123.50 1p4l s TYR 78 Ca 0.05 0.24 -0.05 0.00 -1.01 0.00 0.00 57.07 56.30 1p4l s TYR 78 Cb -0.13 -1.76 0.01 0.00 -0.11 0.00 0.00 41.96 39.98 1p4l s TYR 78 CO 0.01 0.58 0.54 0.00 -1.11 0.00 0.00 175.55 175.57 1p4l s ALA 79 N -1.24 0.46 -0.09 3.71 0.00 -0.48 -0.02 121.76 124.11 1p4l s ALA 79 Ca 0.24 -1.35 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 1p4l s ALA 79 Cb -0.12 1.06 0.04 0.00 0.00 0.00 0.00 23.12 24.10 1p4l s ALA 79 CO 0.15 -0.83 0.07 0.00 0.00 0.00 0.00 175.76 175.15 1p4l s ARG 81 N 2.15 3.82 -0.35 0.00 3.52 -0.55 -1.18 118.95 126.37 1p4l s ARG 81 Ca 0.04 -0.41 -0.07 0.00 -0.13 0.00 0.00 55.73 55.16 1p4l s ARG 81 Cb -0.13 -3.66 0.04 0.00 -1.56 0.00 0.00 34.95 29.64 1p4l s ARG 81 CO -0.05 -0.24 0.12 0.08 -0.81 0.00 0.00 175.30 174.40 1p4l s VAL 82 N 1.74 3.89 0.17 7.11 1.01 0.02 -1.64 120.40 132.70 1p4l s VAL 82 Ca 0.07 -1.11 -0.14 0.00 0.00 0.00 0.00 61.98 60.79 1p4l s VAL 82 Cb -0.16 -3.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.94 1p4l s VAL 82 CO 0.10 -0.20 0.57 -0.54 0.00 0.00 0.00 175.10 175.03 1p4l s LYS 83 N 1.42 3.98 -0.27 2.72 1.02 -0.06 -3.13 119.74 125.42 1p4l s LYS 83 Ca -0.01 0.50 -0.28 0.00 0.02 0.00 0.00 55.97 56.21 1p4l s LYS 83 Cb -0.20 -2.88 0.17 0.00 -0.52 0.00 0.00 37.83 34.41 1p4l s LYS 83 CO 0.03 0.44 1.29 -1.58 -0.92 0.00 0.00 175.35 174.61 1p4l s HIS 84 N -1.52 -0.15 0.00 3.18 2.46 -1.26 -2.08 115.29 115.92 1p4l s HIS 84 Ca 0.40 0.31 0.00 0.00 0.47 0.00 0.00 55.06 56.23 1p4l s HIS 84 Cb -0.15 0.47 0.00 0.00 -0.13 0.00 0.00 32.58 32.77 1p4l s HIS 84 CO 0.19 -0.11 0.70 0.00 -2.47 0.00 0.00 174.74 173.06 1p4l n ALA 85 N 1.08 -0.08 0.00 1.58 0.00 -1.26 -2.67 120.51 119.16 1p4l n ALA 85 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1p4l n ALA 85 Cb 0.58 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.24 1p4l n ALA 85 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1p4l n SER 86 N -1.53 0.00 -4.83 0.00 3.41 -1.26 -4.35 113.62 105.07 1p4l n SER 86 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1p4l n SER 86 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1p4l n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1p4l s MET 87 N -4.86 3.32 -0.03 4.33 1.00 -1.09 -4.97 119.30 117.00 1p4l s MET 87 Ca 0.00 1.00 -0.01 0.00 0.00 0.00 0.00 55.69 56.68 1p4l s MET 87 Cb 0.00 -2.04 -0.01 0.00 0.00 0.00 0.00 34.83 32.78 1p4l s MET 87 CO 0.00 -0.79 0.11 0.00 0.00 0.00 0.00 175.02 174.34 1p4l h ALA 88 N -0.03 -0.10 -2.15 3.03 0.00 -1.84 -3.46 119.26 114.71 1p4l h ALA 88 Ca -0.45 -0.01 -0.54 0.00 0.00 0.00 0.00 54.91 53.91 1p4l h ALA 88 Cb 1.21 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1p4l h ALA 88 CO 0.58 -0.10 -0.60 -1.21 0.00 0.00 0.00 179.25 177.93 1p4l s GLU 89 N -1.46 2.47 -0.38 0.00 2.02 -1.26 -5.05 118.70 115.03 1p4l s GLU 89 Ca -0.01 -1.35 -0.27 0.00 0.02 0.00 0.00 54.97 53.37 1p4l s GLU 89 Cb 0.00 -2.27 -0.06 0.00 0.10 0.00 0.00 34.13 31.90 1p4l s GLU 89 CO 0.02 0.33 2.33 -2.14 0.02 0.00 0.00 175.26 175.82 1p4l s PRO 90 N -3.74 2.53 -0.05 0.39 0.02 -1.26 -4.92 135.00 127.96 1p4l s PRO 90 Ca 0.33 1.66 -0.30 0.00 0.02 0.00 0.00 61.00 62.71 1p4l s PRO 90 Cb -0.06 -4.50 -0.03 0.00 0.02 0.00 0.00 34.50 29.93 1p4l s PRO 90 CO 0.22 -2.79 1.14 0.21 -0.33 0.00 0.00 177.00 175.44 1p4l s LYS 91 N 7.46 4.40 0.27 5.54 2.20 -1.18 -4.80 119.74 133.62 1p4l s LYS 91 Ca 0.99 1.60 0.09 0.00 -0.36 0.00 0.00 55.97 58.28 1p4l s LYS 91 Cb -0.24 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.52 1p4l s LYS 91 CO 0.30 -0.36 0.06 0.99 -0.36 0.00 0.00 175.35 175.98 1p4l s THR 92 N 1.92 3.61 -0.10 3.43 2.01 -1.26 -0.80 115.64 124.46 1p4l s THR 92 Ca 0.54 -1.76 -0.06 0.00 0.31 0.00 0.00 61.69 60.72 1p4l s THR 92 Cb -0.23 -2.99 0.04 0.00 0.01 0.00 0.00 72.50 69.33 1p4l s THR 92 CO 0.22 -0.34 0.24 -0.69 -0.69 0.00 0.00 174.62 173.37 1p4l s VAL 93 N -2.30 -0.03 0.13 3.82 1.01 -0.32 -4.94 120.40 117.77 1p4l s VAL 93 Ca 0.33 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.34 1p4l s VAL 93 Cb -0.06 -0.37 -0.06 0.00 0.00 0.00 0.00 36.38 35.89 1p4l s VAL 93 CO 0.21 0.05 0.43 -0.31 0.00 0.00 0.00 175.10 175.48 1p4l s TYR 94 N 1.05 3.53 0.75 5.22 2.02 -1.26 -0.01 117.35 128.64 1p4l s TYR 94 Ca -0.08 0.76 -0.12 0.00 -0.37 0.00 0.00 57.07 57.26 1p4l s TYR 94 Cb -0.09 -2.15 0.04 0.00 -0.40 0.00 0.00 41.96 39.37 1p4l s TYR 94 CO -0.07 0.45 1.10 -0.46 -1.57 0.00 0.00 175.55 175.00 1p4l s TRP 95 N -1.55 2.57 -0.47 2.71 -0.00 0.97 -4.76 118.94 118.42 1p4l s TRP 95 Ca 0.38 1.56 0.06 0.00 -0.00 0.00 0.00 56.10 58.09 1p4l s TRP 95 Cb -0.13 -3.09 0.18 0.00 -0.00 0.00 0.00 33.47 30.43 1p4l s TRP 95 CO 0.20 -1.80 0.54 0.34 -0.00 0.00 0.00 176.95 176.24 1p4l s ASP 96 N -3.17 -0.07 0.19 5.86 -1.08 -1.26 -4.87 116.67 112.28 1p4l s ASP 96 Ca 0.63 -2.38 0.02 0.00 -0.52 0.00 0.00 52.55 50.30 1p4l s ASP 96 Cb -0.18 0.77 0.50 0.00 -1.46 0.00 0.00 42.92 42.55 1p4l s ASP 96 CO 0.52 -0.11 0.96 -2.11 0.52 0.00 0.00 175.17 174.95 1p4l n ARG 97 N 2.90 -0.05 0.01 4.34 1.85 -1.26 0.35 116.66 124.81 1p4l n ARG 97 Ca 0.24 0.91 0.12 0.00 -1.00 0.00 0.00 57.85 58.11 1p4l n ARG 97 Cb 0.52 -1.46 0.50 0.00 -1.05 0.00 0.00 32.46 30.97 1p4l n ARG 97 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1p4l n ASP 98 N -4.75 0.09 0.00 2.89 -0.08 -1.26 -4.84 116.55 108.61 1p4l n ASP 98 Ca 0.15 0.51 0.00 0.00 -1.51 0.00 0.00 54.79 53.95 1p4l n ASP 98 Cb 0.50 -0.54 0.00 0.00 2.34 0.00 0.00 41.12 43.42 1p4l n ASP 98 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12