#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x44 n SER 2 N 0.00 3.05 -3.52 1.61 7.64 -1.26 -5.06 113.62 116.08 1x44 n SER 2 Ca 0.00 -2.87 -0.15 0.00 1.01 0.00 0.00 58.87 56.86 1x44 n SER 2 Cb 0.00 -0.43 -0.05 0.00 -1.01 0.00 0.00 64.21 62.72 1x44 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x44 s SER 3 N -3.63 -0.57 0.00 6.43 0.15 -1.26 -5.08 113.70 109.74 1x44 s SER 3 Ca 0.38 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1x44 s SER 3 Cb 0.37 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 1x44 s SER 3 CO -0.02 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.44 1x44 n GLY 4 N 0.66 -1.06 3.43 9.45 0.00 -1.26 -5.09 105.19 111.32 1x44 n GLY 4 Ca -0.16 0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1x44 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x44 s SER 5 N -2.69 6.10 -0.13 1.61 0.01 -1.26 -5.05 113.70 112.29 1x44 s SER 5 Ca 0.00 -1.08 0.02 0.00 1.31 0.00 0.00 55.95 56.21 1x44 s SER 5 Cb 0.00 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1x44 s SER 5 CO 0.00 -0.52 -0.21 -0.55 0.41 0.00 0.00 173.24 172.37 1x44 s SER 6 N 2.03 3.28 0.00 2.44 0.15 -1.26 -5.09 113.70 115.25 1x44 s SER 6 Ca 0.04 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1x44 s SER 6 Cb -0.21 -1.47 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 1x44 s SER 6 CO 0.08 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1x44 n GLY 7 N 3.87 -0.09 3.81 9.45 0.00 -1.26 -4.82 105.19 116.15 1x44 n GLY 7 Ca -0.19 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 1x44 n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x44 s ILE 8 N -2.00 5.45 -0.07 -0.61 1.01 -1.26 -4.74 121.20 118.98 1x44 s ILE 8 Ca 0.00 0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.87 1x44 s ILE 8 Cb 0.00 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 1x44 s ILE 8 CO 0.00 0.54 -0.13 -0.04 0.00 0.00 0.00 174.94 175.31 1x44 s MET 9 N -0.38 2.69 -0.70 2.79 -1.94 -1.26 -1.16 119.30 119.34 1x44 s MET 9 Ca 0.12 -0.66 -0.27 0.00 -1.71 0.00 0.00 55.69 53.16 1x44 s MET 9 Cb -0.12 -2.46 0.02 0.00 2.01 0.00 0.00 34.83 34.29 1x44 s MET 9 CO 0.01 0.57 1.39 0.08 -0.01 0.00 0.00 175.02 177.06 1x44 s VAL 10 N -0.58 3.67 0.20 -6.03 1.01 -1.26 0.81 120.40 118.21 1x44 s VAL 10 Ca 0.08 0.40 -0.06 0.00 0.00 0.00 0.00 61.98 62.40 1x44 s VAL 10 Cb -0.11 -4.71 0.05 0.00 0.00 0.00 0.00 36.38 31.61 1x44 s VAL 10 CO 0.01 -1.63 1.63 0.71 0.00 0.00 0.00 175.10 175.83 1x44 h THR 11 N 6.21 1.27 -3.61 3.92 1.35 -1.68 -3.38 112.91 116.98 1x44 h THR 11 Ca -0.27 -1.25 -0.66 0.00 -0.55 0.00 0.00 66.41 63.67 1x44 h THR 11 Cb 1.07 1.03 -0.40 0.00 -1.73 0.00 0.00 68.15 68.13 1x44 h THR 11 CO 1.26 0.43 -0.68 -0.75 -0.25 0.00 0.00 175.52 175.53 1x44 s LYS 12 N -4.78 1.64 0.75 4.72 2.20 -1.19 -4.95 119.74 118.12 1x44 s LYS 12 Ca -0.10 -2.05 -0.14 0.00 -0.36 0.00 0.00 55.97 53.32 1x44 s LYS 12 Cb 0.13 -3.26 0.05 0.00 -1.51 0.00 0.00 37.83 33.24 1x44 s LYS 12 CO 0.85 -0.99 1.19 -0.65 -0.36 0.00 0.00 175.35 175.39 1x44 s GLN 13 N 0.64 2.02 0.77 4.03 -1.52 -1.26 -2.99 119.66 121.36 1x44 s GLN 13 Ca 0.12 1.69 -0.13 0.00 -1.95 0.00 0.00 55.36 55.09 1x44 s GLN 13 Cb -0.21 -1.83 0.06 0.00 -0.22 0.00 0.00 33.01 30.82 1x44 s GLN 13 CO -0.06 -1.91 1.18 -0.51 -0.25 0.00 0.00 175.29 173.74 1x44 s LEU 14 N -5.37 3.19 -0.10 2.90 1.43 -1.26 -4.93 118.68 114.54 1x44 s LEU 14 Ca 0.72 2.26 0.02 0.00 -1.03 0.00 0.00 54.13 56.10 1x44 s LEU 14 Cb -0.27 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 41.38 1x44 s LEU 14 CO 0.47 -2.41 -0.16 -1.83 0.23 0.00 0.00 176.35 172.65 1x44 s GLU 15 N -4.17 2.23 0.10 1.70 -1.05 -1.26 -4.83 118.70 111.42 1x44 s GLU 15 Ca 0.71 -0.57 -0.29 0.00 -0.15 0.00 0.00 54.97 54.67 1x44 s GLU 15 Cb -0.26 -1.87 -0.16 0.00 -0.44 0.00 0.00 34.13 31.40 1x44 s GLU 15 CO 0.49 -0.03 0.67 -3.47 0.95 0.00 0.00 175.26 173.87 1x44 n ASP 16 N 4.10 -0.64 -4.14 0.83 2.03 -1.26 -4.85 116.55 112.61 1x44 n ASP 16 Ca -0.19 1.02 -0.24 0.00 0.52 0.00 0.00 54.79 55.90 1x44 n ASP 16 Cb 0.51 -0.84 -0.15 0.00 -0.72 0.00 0.00 41.12 39.93 1x44 n ASP 16 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1x44 s THR 17 N -0.51 1.27 -0.19 5.18 2.01 -0.81 -4.97 115.64 117.61 1x44 s THR 17 Ca 0.67 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1x44 s THR 17 Cb -0.96 -1.06 0.05 0.00 0.01 0.00 0.00 72.50 70.54 1x44 s THR 17 CO 0.50 0.34 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.82 1x44 s THR 18 N -0.41 1.35 0.12 -0.82 2.01 -1.26 -1.70 115.64 114.94 1x44 s THR 18 Ca 0.06 -0.89 0.08 0.00 0.31 0.00 0.00 61.69 61.25 1x44 s THR 18 Cb -0.06 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 1x44 s THR 18 CO -0.00 0.07 -0.18 0.00 -0.69 0.00 0.00 174.62 173.81 1x44 s ALA 19 N 1.51 1.74 0.92 7.40 0.00 -0.82 -4.99 121.76 127.52 1x44 s ALA 19 Ca -0.02 -1.30 -0.13 0.00 0.00 0.00 0.00 51.96 50.51 1x44 s ALA 19 Cb -0.17 -0.18 0.15 0.00 0.00 0.00 0.00 23.12 22.92 1x44 s ALA 19 CO -0.07 0.26 1.18 0.71 0.00 0.00 0.00 175.76 177.83 1x44 s TYR 20 N -1.61 2.29 -0.09 0.00 1.51 -1.26 -1.95 117.35 116.24 1x44 s TYR 20 Ca 0.09 0.70 -0.30 0.00 -1.01 0.00 0.00 57.07 56.55 1x44 s TYR 20 Cb -0.08 -3.55 -0.04 0.00 -0.11 0.00 0.00 41.96 38.18 1x44 s TYR 20 CO 0.05 -2.40 1.57 0.00 -1.11 0.00 0.00 175.55 173.65 1x44 n GLY 22 N 4.05 2.41 3.77 0.00 0.00 -1.13 -4.82 105.19 109.46 1x44 n GLY 22 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1x44 n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x44 s GLU 23 N -0.96 1.85 -0.26 1.61 0.41 -0.91 -4.19 118.70 116.24 1x44 s GLU 23 Ca 0.00 0.74 -0.11 0.00 -0.41 0.00 0.00 54.97 55.19 1x44 s GLU 23 Cb 0.00 -1.88 -0.05 0.00 -1.78 0.00 0.00 34.13 30.42 1x44 s GLU 23 CO 0.00 -1.81 0.18 0.50 -0.49 0.00 0.00 175.26 173.64 1x44 s ARG 24 N -5.07 4.01 -0.00 1.61 3.52 -1.26 -0.51 118.95 121.25 1x44 s ARG 24 Ca 0.62 -0.29 -0.15 0.00 -0.13 0.00 0.00 55.73 55.78 1x44 s ARG 24 Cb -0.16 -3.60 -0.06 0.00 -1.56 0.00 0.00 34.95 29.57 1x44 s ARG 24 CO 0.55 -0.06 0.40 0.08 -0.81 0.00 0.00 175.30 175.46 1x44 s VAL 25 N 1.42 5.04 -0.08 7.11 1.01 -0.97 -4.89 120.40 129.04 1x44 s VAL 25 Ca 0.07 0.82 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 1x44 s VAL 25 Cb -0.15 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.55 1x44 s VAL 25 CO 0.08 0.58 -0.03 -1.61 0.00 0.00 0.00 175.10 174.12 1x44 s GLU 26 N -1.07 0.99 -0.30 2.72 2.02 -1.26 0.22 118.70 122.01 1x44 s GLU 26 Ca 0.23 -0.05 -0.05 0.00 0.02 0.00 0.00 54.97 55.12 1x44 s GLU 26 Cb -0.17 -1.19 0.03 0.00 0.10 0.00 0.00 34.13 32.90 1x44 s GLU 26 CO 0.13 -0.26 0.05 -0.51 0.02 0.00 0.00 175.26 174.69 1x44 s LEU 27 N 1.75 3.92 0.06 1.80 1.43 -0.57 -4.93 118.68 122.14 1x44 s LEU 27 Ca 0.03 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.15 1x44 s LEU 27 Cb -0.13 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1x44 s LEU 27 CO -0.06 -0.24 0.21 -0.70 0.23 0.00 0.00 176.35 175.79 1x44 s GLU 28 N 1.39 3.42 0.08 1.70 2.12 -1.26 -0.84 118.70 125.31 1x44 s GLU 28 Ca -0.01 -0.45 -0.26 0.00 0.36 0.00 0.00 54.97 54.61 1x44 s GLU 28 Cb -0.18 -3.03 0.08 0.00 0.26 0.00 0.00 34.13 31.26 1x44 s GLU 28 CO 0.01 0.61 0.77 0.00 -0.54 0.00 0.00 175.26 176.11 1x44 s GLU 30 N -3.40 1.49 0.40 0.00 2.02 -1.16 0.15 118.70 118.19 1x44 s GLU 30 Ca 0.04 -1.69 0.04 0.00 0.02 0.00 0.00 54.97 53.39 1x44 s GLU 30 Cb -0.01 -1.36 -0.03 0.00 0.10 0.00 0.00 34.13 32.83 1x44 s GLU 30 CO -0.09 0.21 0.15 0.14 0.02 0.00 0.00 175.26 175.69 1x44 s VAL 31 N -2.81 0.52 0.13 2.63 -7.23 -0.91 -2.28 120.40 110.45 1x44 s VAL 31 Ca 0.26 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.50 1x44 s VAL 31 Cb -0.01 -2.37 -0.19 0.00 0.56 0.00 0.00 36.38 34.36 1x44 s VAL 31 CO 0.10 0.00 1.31 -1.28 -0.31 0.00 0.00 175.10 174.92 1x44 h SER 32 N 1.84 0.00 -1.84 4.85 0.87 0.07 -3.41 113.55 115.94 1x44 h SER 32 Ca -0.34 -0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 59.74 1x44 h SER 32 Cb 1.27 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.21 1x44 h SER 32 CO 0.54 0.97 -0.41 -1.61 -0.53 0.00 0.00 176.83 175.79 1x44 s GLU 33 N -2.79 2.89 0.18 2.24 2.02 -1.26 -4.94 118.70 117.03 1x44 s GLU 33 Ca 0.01 -1.18 0.03 0.00 0.02 0.00 0.00 54.97 53.86 1x44 s GLU 33 Cb 0.10 -2.61 -0.03 0.00 0.10 0.00 0.00 34.13 31.68 1x44 s GLU 33 CO 0.81 0.09 0.31 0.16 0.02 0.00 0.00 175.26 176.66 1x44 s ASP 34 N -4.06 6.33 -1.53 -0.19 -4.77 -1.26 -4.50 116.67 106.68 1x44 s ASP 34 Ca 0.42 0.13 -0.00 0.00 -3.30 0.00 0.00 52.55 49.80 1x44 s ASP 34 Cb -0.07 -1.89 0.00 0.00 -1.09 0.00 0.00 42.92 39.87 1x44 s ASP 34 CO 0.28 0.01 0.00 -0.67 0.70 0.00 0.00 175.17 175.49 1x44 n ASP 35 N -0.86 0.94 -4.50 2.11 2.03 -0.06 -4.92 116.55 111.29 1x44 n ASP 35 Ca -0.08 -1.26 -0.25 0.00 0.52 0.00 0.00 54.79 53.72 1x44 n ASP 35 Cb 0.55 -1.57 0.14 0.00 -0.72 0.00 0.00 41.12 39.52 1x44 n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x44 s ALA 36 N -4.37 3.36 -0.41 -1.67 0.00 -1.26 -5.08 121.76 112.33 1x44 s ALA 36 Ca 0.00 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.29 1x44 s ALA 36 Cb -0.00 -2.15 0.13 0.00 0.00 0.00 0.00 23.12 21.09 1x44 s ALA 36 CO 0.99 -1.77 0.20 1.21 0.00 0.00 0.00 175.76 176.38 1x44 s ASN 37 N -4.82 3.81 0.57 0.00 3.84 -1.26 -4.96 114.94 112.12 1x44 s ASN 37 Ca 0.69 -2.42 -0.09 0.00 0.21 0.00 0.00 52.86 51.25 1x44 s ASN 37 Cb -0.04 -1.06 -0.04 0.00 -0.55 0.00 0.00 41.25 39.56 1x44 s ASN 37 CO 0.47 -0.30 0.95 0.68 -2.79 0.00 0.00 177.10 176.11 1x44 s VAL 38 N 0.60 4.76 -0.29 -5.21 -7.23 -1.26 -4.83 120.40 106.94 1x44 s VAL 38 Ca 0.16 0.69 -0.02 0.00 -1.81 0.00 0.00 61.98 61.00 1x44 s VAL 38 Cb -0.23 -3.86 0.04 0.00 0.56 0.00 0.00 36.38 32.90 1x44 s VAL 38 CO -0.05 -1.03 -0.01 -0.54 -0.31 0.00 0.00 175.10 173.16 1x44 s LYS 39 N -4.98 2.52 -0.07 4.82 1.02 0.15 -4.90 119.74 118.30 1x44 s LYS 39 Ca 0.53 -1.20 -0.24 0.00 0.02 0.00 0.00 55.97 55.08 1x44 s LYS 39 Cb -0.11 -3.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.03 1x44 s LYS 39 CO 0.50 -0.57 0.73 -1.58 -0.92 0.00 0.00 175.35 173.51 1x44 s TRP 40 N 1.27 3.57 -0.07 3.18 0.52 -1.26 1.00 118.94 127.15 1x44 s TRP 40 Ca -0.04 1.28 0.04 0.00 0.02 0.00 0.00 56.10 57.40 1x44 s TRP 40 Cb -0.19 -2.85 0.00 0.00 -1.15 0.00 0.00 33.47 29.28 1x44 s TRP 40 CO -0.02 0.05 -0.19 -0.06 0.02 0.00 0.00 176.95 176.75 1x44 s PHE 41 N 0.96 1.99 -0.78 -1.98 0.40 0.13 -2.39 117.98 116.31 1x44 s PHE 41 Ca 0.39 -0.70 -0.24 0.00 -0.60 0.00 0.00 56.93 55.77 1x44 s PHE 41 Cb -0.18 -1.36 0.05 0.00 0.51 0.00 0.00 43.02 42.05 1x44 s PHE 41 CO 0.18 -0.28 1.21 0.21 0.70 0.00 0.00 175.22 177.25 1x44 s LYS 42 N 0.27 3.27 -1.06 0.44 2.20 0.36 -1.12 119.74 124.10 1x44 s LYS 42 Ca -0.11 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 1x44 s LYS 42 Cb -0.15 -4.45 0.00 0.00 -1.51 0.00 0.00 37.83 31.72 1x44 s LYS 42 CO 0.05 -2.04 0.00 0.27 -0.36 0.00 0.00 175.35 173.27 1x44 n ASN 43 N 8.64 -3.27 0.00 1.43 0.23 0.47 -0.50 115.26 122.27 1x44 n ASN 43 Ca 0.08 0.25 0.00 0.00 -0.53 0.00 0.00 54.58 54.38 1x44 n ASN 43 Cb 0.48 -2.95 0.00 0.00 -2.08 0.00 0.00 39.78 35.23 1x44 n ASN 43 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x44 n GLY 44 N -0.49 1.76 3.78 4.83 0.00 -1.26 -4.95 105.19 108.87 1x44 n GLY 44 Ca -0.12 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 1x44 n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x44 s GLU 45 N 0.00 3.89 -0.23 1.61 2.02 0.35 -4.96 118.70 121.38 1x44 s GLU 45 Ca 0.00 1.67 -0.23 0.00 0.02 0.00 0.00 54.97 56.42 1x44 s GLU 45 Cb 0.00 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.79 1x44 s GLU 45 CO 0.00 -0.42 0.76 -2.00 0.02 0.00 0.00 175.26 173.62 1x44 s GLU 46 N -2.67 4.19 -0.01 1.61 2.12 -1.26 0.13 118.70 122.81 1x44 s GLU 46 Ca 0.62 0.82 -0.25 0.00 0.36 0.00 0.00 54.97 56.52 1x44 s GLU 46 Cb -0.26 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 1x44 s GLU 46 CO 0.31 -0.43 0.78 0.42 -0.54 0.00 0.00 175.26 175.80 1x44 s ILE 47 N 2.55 4.90 -0.51 -3.70 1.01 -1.01 -4.90 121.20 119.53 1x44 s ILE 47 Ca 0.33 1.63 0.04 0.00 0.00 0.00 0.00 60.65 62.65 1x44 s ILE 47 Cb -0.16 -4.12 0.13 0.00 0.01 0.00 0.00 42.46 38.32 1x44 s ILE 47 CO 0.09 0.28 0.26 -0.63 0.00 0.00 0.00 174.94 174.93 1x44 s ILE 48 N 0.52 2.48 0.55 2.92 -1.09 -1.26 -4.84 121.20 120.49 1x44 s ILE 48 Ca 0.41 -3.25 -0.09 0.00 -2.23 0.00 0.00 60.65 55.48 1x44 s ILE 48 Cb -0.19 -2.73 0.14 0.00 -1.58 0.00 0.00 42.46 38.10 1x44 s ILE 48 CO 0.22 -0.81 0.48 -0.81 -1.23 0.00 0.00 174.94 172.80 1x44 n PRO 49 N 3.15 -1.97 -2.34 2.79 -0.04 -1.26 -4.86 135.00 130.47 1x44 n PRO 49 Ca 0.05 -0.78 0.00 0.00 -0.04 0.00 0.00 63.50 62.74 1x44 n PRO 49 Cb 0.32 -0.73 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 1x44 n PRO 49 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x44 n GLY 50 N -0.76 -0.40 0.22 0.55 0.00 -1.26 -4.84 105.19 98.70 1x44 n GLY 50 Ca 0.07 -1.51 0.09 0.00 0.00 0.00 0.00 46.02 44.67 1x44 n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x44 h PRO 51 N 3.31 0.00 -1.20 1.61 0.13 -1.97 -3.20 132.00 130.68 1x44 h PRO 51 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1x44 h PRO 51 Cb 0.00 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 30.71 1x44 h PRO 51 CO 0.00 0.24 -0.85 1.63 -0.23 0.00 0.00 178.00 178.79 1x44 n LYS 52 N -3.52 3.00 -4.35 0.86 5.02 -1.26 -5.06 118.16 112.85 1x44 n LYS 52 Ca -0.01 -4.17 -0.18 0.00 -2.02 0.00 0.00 58.31 51.94 1x44 n LYS 52 Cb 0.40 -2.05 -0.10 0.00 -0.02 0.00 0.00 35.03 33.25 1x44 n LYS 52 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1x44 s SER 53 N -3.50 2.15 -0.08 4.39 0.01 -1.21 -5.07 113.70 110.39 1x44 s SER 53 Ca 0.44 -1.16 -0.18 0.00 1.31 0.00 0.00 55.95 56.36 1x44 s SER 53 Cb 0.41 -0.06 -0.29 0.00 0.21 0.00 0.00 66.02 66.29 1x44 s SER 53 CO -0.09 -0.41 0.68 0.03 0.41 0.00 0.00 173.24 173.86 1x44 h ARG 54 N 2.47 0.27 -6.61 12.44 -0.00 -1.89 -3.45 114.38 117.60 1x44 h ARG 54 Ca -0.38 -0.46 -0.51 0.00 -0.50 0.00 0.00 59.98 58.12 1x44 h ARG 54 Cb 1.22 0.17 -0.03 0.00 0.00 0.00 0.00 29.97 31.33 1x44 h ARG 54 CO 0.65 1.22 0.17 0.71 0.00 0.00 0.00 179.97 182.72 1x44 s TYR 55 N -2.46 3.73 -0.19 3.04 1.51 -1.26 -3.83 117.35 117.88 1x44 s TYR 55 Ca -0.18 1.52 -0.03 0.00 -1.01 0.00 0.00 57.07 57.37 1x44 s TYR 55 Cb 0.03 -2.71 0.06 0.00 -0.11 0.00 0.00 41.96 39.23 1x44 s TYR 55 CO 0.79 0.36 0.04 1.03 -1.11 0.00 0.00 175.55 176.67 1x44 s ARG 56 N -1.77 0.58 -0.31 -0.62 0.52 -1.10 -4.01 118.95 112.25 1x44 s ARG 56 Ca 0.42 -0.38 -0.17 0.00 -0.52 0.00 0.00 55.73 55.09 1x44 s ARG 56 Cb -0.19 -2.07 -0.02 0.00 0.52 0.00 0.00 34.95 33.19 1x44 s ARG 56 CO 0.23 -0.64 0.44 0.42 0.02 0.00 0.00 175.30 175.77 1x44 s ILE 57 N 1.89 5.10 0.06 1.52 1.01 -1.26 -2.50 121.20 127.02 1x44 s ILE 57 Ca -0.01 0.41 0.09 0.00 0.00 0.00 0.00 60.65 61.15 1x44 s ILE 57 Cb -0.17 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 1x44 s ILE 57 CO -0.08 -0.05 -0.25 -0.60 0.00 0.00 0.00 174.94 173.96 1x44 s ARG 58 N 2.21 1.76 -0.18 2.79 3.52 -0.95 -5.00 118.95 123.10 1x44 s ARG 58 Ca 0.16 -1.14 -0.00 0.00 -0.13 0.00 0.00 55.73 54.62 1x44 s ARG 58 Cb -0.16 -1.99 0.01 0.00 -1.56 0.00 0.00 34.95 31.24 1x44 s ARG 58 CO 0.11 0.50 -0.16 0.54 -0.81 0.00 0.00 175.30 175.49 1x44 s VAL 59 N -0.88 2.50 -0.31 7.11 0.11 -1.26 -0.85 120.40 126.82 1x44 s VAL 59 Ca 0.13 -0.80 0.03 0.00 -2.93 0.00 0.00 61.98 58.41 1x44 s VAL 59 Cb -0.10 -2.07 0.09 0.00 -1.53 0.00 0.00 36.38 32.77 1x44 s VAL 59 CO 0.03 0.51 0.01 -1.61 -3.33 0.00 0.00 175.10 170.71 1x44 s GLU 60 N 1.16 1.64 5.40 1.54 2.02 0.12 -5.01 118.70 125.57 1x44 s GLU 60 Ca 0.01 -1.66 0.00 0.00 0.02 0.00 0.00 54.97 53.34 1x44 s GLU 60 Cb -0.14 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.06 1x44 s GLU 60 CO -0.06 -0.83 0.00 0.41 0.02 0.00 0.00 175.26 174.79 1x44 n GLY 61 N 4.35 1.40 0.13 -1.39 0.00 -1.26 -2.05 105.19 106.37 1x44 n GLY 61 Ca -0.02 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.22 1x44 n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x44 n LYS 62 N 0.00 1.61 -4.19 1.61 5.02 -1.26 -0.88 118.16 120.07 1x44 n LYS 62 Ca 0.00 -2.48 -0.16 0.00 -2.02 0.00 0.00 58.31 53.65 1x44 n LYS 62 Cb 0.00 -1.47 -0.14 0.00 -0.02 0.00 0.00 35.03 33.40 1x44 n LYS 62 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1x44 s LYS 63 N -2.65 0.52 0.20 1.97 -2.85 -0.87 -2.13 119.74 113.92 1x44 s LYS 63 Ca 0.29 -0.32 0.05 0.00 -1.00 0.00 0.00 55.97 54.99 1x44 s LYS 63 Cb 0.25 -0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 35.52 1x44 s LYS 63 CO 0.03 0.12 0.20 -1.01 0.10 0.00 0.00 175.35 174.80 1x44 s HIS 64 N -0.37 3.22 -0.14 1.78 3.76 0.12 -0.71 115.29 122.96 1x44 s HIS 64 Ca 0.00 -0.03 -0.04 0.00 -0.15 0.00 0.00 55.06 54.84 1x44 s HIS 64 Cb -0.04 -1.50 0.05 0.00 1.11 0.00 0.00 32.58 32.20 1x44 s HIS 64 CO -0.00 0.51 0.08 0.42 -0.85 0.00 0.00 174.74 174.90 1x44 s ILE 65 N -1.90 -0.09 -0.50 0.60 1.09 -0.03 -1.43 121.20 118.95 1x44 s ILE 65 Ca 0.32 -0.01 -0.16 0.00 -1.10 0.00 0.00 60.65 59.69 1x44 s ILE 65 Cb -0.09 -0.47 0.08 0.00 -1.06 0.00 0.00 42.46 40.92 1x44 s ILE 65 CO 0.25 -0.16 0.48 -0.22 -0.10 0.00 0.00 174.94 175.18 1x44 s LEU 66 N 2.15 5.58 0.10 2.97 2.96 -0.02 -2.24 118.68 130.17 1x44 s LEU 66 Ca 0.03 -1.33 -0.14 0.00 -0.22 0.00 0.00 54.13 52.47 1x44 s LEU 66 Cb -0.15 -2.25 -0.06 0.00 0.50 0.00 0.00 46.19 44.23 1x44 s LEU 66 CO -0.07 -0.76 0.50 -0.51 -1.32 0.00 0.00 176.35 174.19 1x44 s ILE 67 N 1.89 4.92 -0.31 6.68 -1.16 -1.04 -1.52 121.20 130.66 1x44 s ILE 67 Ca 0.06 0.80 0.01 0.00 -0.51 0.00 0.00 60.65 61.02 1x44 s ILE 67 Cb -0.24 -3.73 0.09 0.00 0.61 0.00 0.00 42.46 39.19 1x44 s ILE 67 CO 0.07 0.34 0.06 -0.63 -2.81 0.00 0.00 174.94 171.98 1x44 s ILE 68 N -1.35 1.46 -0.34 2.00 1.01 0.13 -2.71 121.20 121.41 1x44 s ILE 68 Ca 0.33 -1.71 -0.29 0.00 0.00 0.00 0.00 60.65 58.99 1x44 s ILE 68 Cb -0.16 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 1x44 s ILE 68 CO 0.18 -0.57 1.69 -1.61 0.00 0.00 0.00 174.94 174.63 1x44 s GLU 69 N 1.34 3.44 0.00 2.79 2.02 -1.25 -2.29 118.70 124.75 1x44 s GLU 69 Ca 0.08 1.34 0.00 0.00 0.02 0.00 0.00 54.97 56.41 1x44 s GLU 69 Cb -0.18 -4.14 0.00 0.00 0.10 0.00 0.00 34.13 29.91 1x44 s GLU 69 CO -0.16 -1.73 0.00 0.41 0.02 0.00 0.00 175.26 173.79 1x44 n GLY 70 N 5.28 -2.00 3.43 -1.39 0.00 -1.20 -4.97 105.19 104.34 1x44 n GLY 70 Ca 0.21 -0.28 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 1x44 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x44 s ALA 71 N -0.22 3.42 0.52 4.61 0.00 0.34 -4.80 121.76 125.64 1x44 s ALA 71 Ca 0.00 -2.71 -0.03 0.00 0.00 0.00 0.00 51.96 49.22 1x44 s ALA 71 Cb 0.00 -3.94 -0.00 0.00 0.00 0.00 0.00 23.12 19.18 1x44 s ALA 71 CO 0.00 -2.85 0.79 0.95 0.00 0.00 0.00 175.76 174.65 1x44 s THR 72 N 2.54 3.97 0.56 0.00 -4.23 -1.26 -2.82 115.64 114.40 1x44 s THR 72 Ca 0.29 -0.18 0.36 0.00 -1.18 0.00 0.00 61.69 60.98 1x44 s THR 72 Cb -0.08 -3.52 0.53 0.00 1.34 0.00 0.00 72.50 70.77 1x44 s THR 72 CO -0.07 -0.46 1.71 0.11 -0.54 0.00 0.00 174.62 175.37 1x44 h LYS 73 N 0.11 0.00 0.01 3.99 1.79 -1.92 0.94 116.57 121.50 1x44 h LYS 73 Ca -0.46 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 57.78 1x44 h LYS 73 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1x44 h LYS 73 CO 0.59 0.00 -0.97 0.00 -1.08 0.00 0.00 179.45 177.99 1x44 h ALA 74 N 1.22 0.34 0.00 3.86 0.00 -1.98 -3.09 119.26 119.60 1x44 h ALA 74 Ca 0.55 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1x44 h ALA 74 Cb 2.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.19 1x44 h ALA 74 CO -0.01 0.83 0.00 -0.44 0.00 0.00 0.00 179.25 179.63 1x44 h ASP 75 N 0.22 0.00 -1.12 0.00 5.19 0.58 -3.39 116.42 117.89 1x44 h ASP 75 Ca -0.09 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 55.99 1x44 h ASP 75 Cb 1.62 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.09 1x44 h ASP 75 CO 0.17 0.00 0.91 0.00 -3.12 0.00 0.00 179.24 177.19 1x44 s ALA 76 N -3.59 1.70 0.16 3.45 0.00 -1.14 -4.89 121.76 117.46 1x44 s ALA 76 Ca -0.01 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 50.77 1x44 s ALA 76 Cb 0.08 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.73 1x44 s ALA 76 CO 0.28 -4.64 0.33 0.00 0.00 0.00 0.00 175.76 171.73 1x44 s ALA 77 N 10.46 -0.31 -0.59 0.00 0.00 -1.20 -4.93 121.76 125.19 1x44 s ALA 77 Ca 0.74 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 51.79 1x44 s ALA 77 Cb -0.10 0.79 0.01 0.00 0.00 0.00 0.00 23.12 23.82 1x44 s ALA 77 CO 0.09 -0.66 1.43 -2.00 0.00 0.00 0.00 175.76 174.61 1x44 s GLU 78 N -3.92 3.23 -0.38 0.00 2.12 -1.26 -2.99 118.70 115.51 1x44 s GLU 78 Ca 0.12 0.37 -0.24 0.00 0.36 0.00 0.00 54.97 55.58 1x44 s GLU 78 Cb 0.02 -4.15 0.01 0.00 0.26 0.00 0.00 34.13 30.28 1x44 s GLU 78 CO -0.03 -2.03 0.83 0.71 -0.54 0.00 0.00 175.26 174.20 1x44 s TYR 79 N 6.24 3.08 -0.06 5.30 1.51 0.80 0.18 117.35 134.40 1x44 s TYR 79 Ca 0.51 0.57 0.06 0.00 -1.01 0.00 0.00 57.07 57.20 1x44 s TYR 79 Cb -0.10 -3.53 -0.01 0.00 -0.11 0.00 0.00 41.96 38.20 1x44 s TYR 79 CO 0.23 -0.80 -0.25 -1.12 -1.11 0.00 0.00 175.55 172.50 1x44 s SER 80 N 1.90 3.12 0.23 2.29 0.01 -0.27 -1.09 113.70 119.89 1x44 s SER 80 Ca 0.33 -0.50 0.04 0.00 1.31 0.00 0.00 55.95 57.13 1x44 s SER 80 Cb -0.13 -0.84 -0.03 0.00 0.21 0.00 0.00 66.02 65.23 1x44 s SER 80 CO 0.18 0.25 0.36 0.68 0.41 0.00 0.00 173.24 175.13 1x44 s VAL 81 N -0.18 5.26 -0.05 3.43 -7.23 -0.39 0.20 120.40 121.44 1x44 s VAL 81 Ca -0.03 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1x44 s VAL 81 Cb -0.14 -3.83 0.02 0.00 0.56 0.00 0.00 36.38 33.00 1x44 s VAL 81 CO 0.03 -0.29 -0.02 -0.32 -0.31 0.00 0.00 175.10 174.19 1x44 s MET 82 N -3.82 0.62 0.53 4.82 1.75 0.28 -2.28 119.30 121.19 1x44 s MET 82 Ca 0.35 0.00 0.01 0.00 -1.25 0.00 0.00 55.69 54.80 1x44 s MET 82 Cb -0.10 -0.77 0.01 0.00 2.84 0.00 0.00 34.83 36.81 1x44 s MET 82 CO 0.30 -0.16 0.07 0.25 -0.65 0.00 0.00 175.02 174.83 1x44 n THR 83 N 4.37 0.00 0.08 10.11 -2.24 0.74 0.29 114.28 127.63 1x44 n THR 83 Ca -0.20 -2.42 0.12 0.00 -2.27 0.00 0.00 64.05 59.27 1x44 n THR 83 Cb 0.50 0.41 0.59 0.00 -2.10 0.00 0.00 70.33 69.74 1x44 n THR 83 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1x44 h THR 84 N 1.17 0.92 -0.22 4.28 1.35 -1.88 -3.28 112.91 115.24 1x44 h THR 84 Ca -0.42 -0.06 -0.22 0.00 -0.55 0.00 0.00 66.41 65.17 1x44 h THR 84 Cb 1.31 0.74 -0.25 0.00 -1.73 0.00 0.00 68.15 68.22 1x44 h THR 84 CO 0.69 0.03 -0.62 0.61 -0.25 0.00 0.00 175.52 175.98 1x44 n GLY 85 N -1.55 1.81 3.56 5.82 0.00 -1.11 -4.58 105.19 109.14 1x44 n GLY 85 Ca 0.04 -0.53 -0.07 0.00 0.00 0.00 0.00 46.02 45.47 1x44 n GLY 85 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x44 s GLY 86 N -2.10 -0.41 0.07 -0.02 0.00 -0.31 -4.11 107.32 100.45 1x44 s GLY 86 Ca 0.18 0.87 -0.18 0.00 0.00 0.00 0.00 44.72 45.59 1x44 s GLY 86 CO -0.08 0.28 0.43 1.62 0.00 0.00 0.00 173.10 175.35 1x44 s GLN 87 N -3.08 0.98 0.10 2.90 0.74 -1.26 -0.18 119.66 119.85 1x44 s GLN 87 Ca 0.07 -0.43 -0.10 0.00 0.05 0.00 0.00 55.36 54.96 1x44 s GLN 87 Cb -0.01 0.44 0.00 0.00 1.10 0.00 0.00 33.01 34.54 1x44 s GLN 87 CO -0.06 -0.36 0.22 0.45 -0.55 0.00 0.00 175.29 174.99 1x44 s SER 88 N -2.21 0.08 0.02 6.67 0.15 -0.96 -4.86 113.70 112.58 1x44 s SER 88 Ca -0.03 -0.62 0.01 0.00 0.70 0.00 0.00 55.95 56.01 1x44 s SER 88 Cb -0.00 0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 64.65 1x44 s SER 88 CO -0.05 -0.75 -0.03 -0.94 1.20 0.00 0.00 173.24 172.67 1x44 s SER 89 N -2.86 0.34 -0.12 5.45 1.04 -1.26 -1.26 113.70 115.02 1x44 s SER 89 Ca 0.05 -0.39 -0.13 0.00 0.48 0.00 0.00 55.95 55.97 1x44 s SER 89 Cb 0.04 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.26 1x44 s SER 89 CO -0.11 -0.20 0.35 0.00 0.98 0.00 0.00 173.24 174.27 1x44 s ALA 90 N -1.08 -0.88 -0.22 5.32 0.00 -0.25 -4.46 121.76 120.20 1x44 s ALA 90 Ca -0.11 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 52.67 1x44 s ALA 90 Cb -0.08 -0.50 -0.05 0.00 0.00 0.00 0.00 23.12 22.49 1x44 s ALA 90 CO -0.00 -0.18 0.20 0.15 0.00 0.00 0.00 175.76 175.93 1x44 s LYS 91 N 0.00 4.13 -0.26 0.00 1.02 -1.26 -0.14 119.74 123.23 1x44 s LYS 91 Ca -0.02 -0.15 -0.05 0.00 0.02 0.00 0.00 55.97 55.77 1x44 s LYS 91 Cb -0.03 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 1x44 s LYS 91 CO 0.01 0.10 0.02 -1.17 -0.92 0.00 0.00 175.35 173.39 1x44 s LEU 92 N 0.92 3.41 -0.17 3.17 2.96 -1.16 -1.93 118.68 125.88 1x44 s LEU 92 Ca 0.10 -0.59 -0.06 0.00 -0.22 0.00 0.00 54.13 53.37 1x44 s LEU 92 Cb -0.13 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1x44 s LEU 92 CO 0.04 -0.11 0.02 -0.44 -1.32 0.00 0.00 176.35 174.54 1x44 s SER 93 N 1.48 5.31 -0.12 3.68 0.01 -0.69 -3.21 113.70 120.16 1x44 s SER 93 Ca 0.03 0.00 -0.04 0.00 1.31 0.00 0.00 55.95 57.26 1x44 s SER 93 Cb -0.16 -1.89 -0.03 0.00 0.21 0.00 0.00 66.02 64.15 1x44 s SER 93 CO -0.00 0.18 0.03 -0.69 0.41 0.00 0.00 173.24 173.16 1x44 s VAL 94 N 0.33 4.52 0.31 3.43 1.01 -1.26 -1.95 120.40 126.79 1x44 s VAL 94 Ca 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 61.88 1x44 s VAL 94 Cb -0.13 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 1x44 s VAL 94 CO 0.01 0.57 -0.01 -0.62 0.00 0.00 0.00 175.10 175.05 1x44 s ASP 95 N -0.52 2.79 -0.13 3.32 2.15 -0.82 -4.88 116.67 118.58 1x44 s ASP 95 Ca 0.09 -1.28 -0.02 0.00 0.43 0.00 0.00 52.55 51.77 1x44 s ASP 95 Cb -0.12 -0.17 -0.03 0.00 -0.30 0.00 0.00 42.92 42.30 1x44 s ASP 95 CO 0.02 -0.44 -0.04 -0.76 -0.17 0.00 0.00 175.17 173.78 1x44 s LEU 96 N -3.49 3.27 -0.43 -1.34 1.43 -1.26 0.19 118.68 117.05 1x44 s LEU 96 Ca 0.33 -0.07 -0.29 0.00 -1.03 0.00 0.00 54.13 53.06 1x44 s LEU 96 Cb 0.06 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.54 1x44 s LEU 96 CO 0.14 0.24 1.13 -0.75 0.23 0.00 0.00 176.35 177.34 1x44 s LYS 97 N -0.04 3.82 -0.81 1.70 2.36 -1.26 -4.93 119.74 120.58 1x44 s LYS 97 Ca 0.01 0.73 0.01 0.00 -2.55 0.00 0.00 55.97 54.17 1x44 s LYS 97 Cb -0.13 -3.86 0.20 0.00 -1.05 0.00 0.00 37.83 32.98 1x44 s LYS 97 CO 0.03 -1.25 0.65 -1.12 1.55 0.00 0.00 175.35 175.21 1x44 s SER 98 N 2.28 5.53 0.00 1.43 0.01 -1.26 -4.89 113.70 116.80 1x44 s SER 98 Ca 0.48 -3.70 0.00 0.00 1.31 0.00 0.00 55.95 54.04 1x44 s SER 98 Cb -0.09 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.33 1x44 s SER 98 CO 0.27 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1x44 n GLY 99 N 2.30 0.15 3.77 3.44 0.00 -1.26 -5.07 105.19 108.52 1x44 n GLY 99 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1x44 n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x44 s PRO 100 N 0.00 3.30 -0.83 1.61 0.04 -1.26 -4.83 135.00 133.02 1x44 s PRO 100 Ca 0.00 1.59 -0.22 0.00 0.04 0.00 0.00 61.00 62.41 1x44 s PRO 100 Cb 0.00 -2.00 -0.20 0.00 0.04 0.00 0.00 34.50 32.34 1x44 s PRO 100 CO 0.00 -0.89 2.38 0.43 0.04 0.00 0.00 177.00 178.96 1x44 n SER 101 N -1.42 0.64 -3.69 6.66 7.64 -1.26 -4.83 113.62 117.36 1x44 n SER 101 Ca 0.11 -0.76 -0.10 0.00 1.01 0.00 0.00 58.87 59.13 1x44 n SER 101 Cb 0.51 -1.18 -0.11 0.00 -1.01 0.00 0.00 64.21 62.42 1x44 n SER 101 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x44 s SER 102 N 7.48 -0.49 0.00 6.43 1.04 -1.26 -5.27 113.70 121.64 1x44 s SER 102 Ca 1.13 0.89 0.00 0.00 0.48 0.00 0.00 55.95 58.45 1x44 s SER 102 Cb -0.54 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1x44 s SER 102 CO 0.33 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.96