#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lo5 s THR 2 N 0.00 2.82 -0.15 1.12 2.01 -1.25 -4.82 115.64 115.37 3lo5 s THR 2 Ca 0.00 0.73 -0.00 0.00 0.31 0.00 0.00 61.69 62.73 3lo5 s THR 2 Cb 0.00 -3.43 0.03 0.00 0.01 0.00 0.00 72.50 69.11 3lo5 s THR 2 CO 0.00 0.10 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.24 3lo5 s GLU 3 N -2.19 1.85 -0.26 4.92 2.12 -1.26 -0.71 118.70 123.16 3lo5 s GLU 3 Ca 0.56 -0.48 -0.09 0.00 0.36 0.00 0.00 54.97 55.32 3lo5 s GLU 3 Cb -0.36 -1.95 -0.03 0.00 0.26 0.00 0.00 34.13 32.05 3lo5 s GLU 3 CO 0.46 -0.30 0.11 0.71 -0.54 0.00 0.00 175.26 175.70 3lo5 s TYR 4 N 1.58 3.13 -0.47 5.30 2.02 -0.19 -4.96 117.35 123.76 3lo5 s TYR 4 Ca 0.04 -0.28 -0.22 0.00 -0.37 0.00 0.00 57.07 56.24 3lo5 s TYR 4 Cb -0.14 -2.29 0.03 0.00 -0.40 0.00 0.00 41.96 39.17 3lo5 s TYR 4 CO -0.09 -0.31 0.72 0.15 -1.57 0.00 0.00 175.55 174.45 3lo5 s LYS 5 N 1.66 3.30 -0.10 -0.62 1.02 -1.26 -0.44 119.74 123.29 3lo5 s LYS 5 Ca 0.06 -0.36 -0.02 0.00 0.02 0.00 0.00 55.97 55.67 3lo5 s LYS 5 Cb -0.16 -3.98 -0.03 0.00 -0.52 0.00 0.00 37.83 33.14 3lo5 s LYS 5 CO 0.06 -1.14 -0.00 -0.51 -0.92 0.00 0.00 175.35 172.84 3lo5 s LEU 6 N 3.07 3.52 -0.06 3.17 1.43 0.16 -0.65 118.68 129.33 3lo5 s LEU 6 Ca 0.24 0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.49 3lo5 s LEU 6 Cb -0.14 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 3lo5 s LEU 6 CO 0.19 0.34 -0.21 -0.69 0.23 0.00 0.00 176.35 176.20 3lo5 s VAL 7 N -0.63 2.41 -0.24 -1.59 1.01 -0.01 -1.32 120.40 120.03 3lo5 s VAL 7 Ca 0.10 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 3lo5 s VAL 7 Cb -0.12 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 3lo5 s VAL 7 CO 0.02 0.57 0.03 -0.69 0.00 0.00 0.00 175.10 175.03 3lo5 s VAL 8 N -0.28 3.98 0.25 2.92 1.01 -0.81 0.15 120.40 127.62 3lo5 s VAL 8 Ca 0.00 -0.30 0.10 0.00 0.00 0.00 0.00 61.98 61.79 3lo5 s VAL 8 Cb -0.13 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 3lo5 s VAL 8 CO 0.03 0.36 -0.18 0.68 0.00 0.00 0.00 175.10 175.99 3lo5 s VAL 9 N 1.57 2.19 0.00 2.92 -7.23 0.64 -4.67 120.40 115.81 3lo5 s VAL 9 Ca 0.06 -2.33 0.00 0.00 -1.81 0.00 0.00 61.98 57.90 3lo5 s VAL 9 Cb -0.15 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.58 3lo5 s VAL 9 CO 0.01 -0.47 0.00 0.61 -0.31 0.00 0.00 175.10 174.94 3lo5 n GLY 10 N -0.53 3.47 3.50 2.32 0.00 -1.26 -0.63 105.19 112.06 3lo5 n GLY 10 Ca -0.06 -1.37 -0.37 0.00 0.00 0.00 0.00 46.02 44.21 3lo5 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lo5 n ALA 11 N -1.64 -0.91 -1.84 4.61 0.00 -1.26 -4.88 120.51 114.59 3lo5 n ALA 11 Ca 0.00 -0.07 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 3lo5 n ALA 11 Cb 0.00 -1.90 -0.02 0.00 0.00 0.00 0.00 19.45 17.53 3lo5 n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3lo5 s GLY 12 N -1.27 2.32 0.00 0.00 0.00 -1.26 -3.03 107.32 104.08 3lo5 s GLY 12 Ca 0.70 1.40 0.00 0.00 0.00 0.00 0.00 44.72 46.82 3lo5 s GLY 12 CO 0.53 2.34 0.00 0.61 0.00 0.00 0.00 173.10 176.58 3lo5 n GLY 13 N 2.07 0.70 0.16 0.20 0.00 -1.26 -4.94 105.19 102.12 3lo5 n GLY 13 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 3lo5 n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3lo5 h VAL 14 N 0.00 0.00 0.00 1.61 -1.51 -1.90 -3.47 116.25 110.98 3lo5 h VAL 14 Ca 0.00 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 3lo5 h VAL 14 Cb 0.00 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 3lo5 h VAL 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3lo5 n GLY 15 N 1.15 1.61 0.19 5.19 0.00 -1.26 -4.60 105.19 107.47 3lo5 n GLY 15 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 3lo5 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lo5 h LYS 16 N 0.00 0.30 -0.36 1.61 1.57 -1.90 0.61 116.57 118.40 3lo5 h LYS 16 Ca 0.00 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3lo5 h LYS 16 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3lo5 h LYS 16 CO 0.00 0.20 -0.03 -0.97 -0.57 0.00 0.00 179.45 178.08 3lo5 h ASN 17 N 0.31 0.64 -0.77 0.86 -0.73 -1.97 -2.69 115.58 111.23 3lo5 h ASN 17 Ca 0.23 -0.33 -0.03 0.00 1.87 0.00 0.00 56.30 58.04 3lo5 h ASN 17 Cb 0.26 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 38.64 3lo5 h ASN 17 CO -0.26 0.82 0.36 0.00 -0.37 0.00 0.00 177.43 177.98 3lo5 h ALA 18 N 0.85 1.00 -0.69 1.57 0.00 -1.84 -0.65 119.26 119.50 3lo5 h ALA 18 Ca 0.10 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3lo5 h ALA 18 Cb 0.51 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3lo5 h ALA 18 CO 0.02 0.57 0.45 -0.07 0.00 0.00 0.00 179.25 180.23 3lo5 h LEU 19 N 1.09 0.77 -0.09 0.00 3.38 -0.85 -0.39 115.31 119.23 3lo5 h LEU 19 Ca 0.26 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3lo5 h LEU 19 Cb 0.13 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3lo5 h LEU 19 CO -0.03 0.56 0.01 0.74 0.09 0.00 0.00 178.44 179.80 3lo5 h THR 20 N 0.91 1.24 -0.75 0.22 2.02 -1.08 -1.77 112.91 113.71 3lo5 h THR 20 Ca 0.26 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 3lo5 h THR 20 Cb -0.09 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 3lo5 h THR 20 CO -0.06 0.21 0.42 0.40 0.37 0.00 0.00 175.52 176.86 3lo5 h ILE 21 N -0.11 1.22 -0.65 3.11 1.08 -1.02 0.10 117.51 121.24 3lo5 h ILE 21 Ca 0.03 -0.52 -0.07 0.00 -0.39 0.00 0.00 64.86 63.91 3lo5 h ILE 21 Cb 0.32 0.19 -0.03 0.00 -3.07 0.00 0.00 36.82 34.23 3lo5 h ILE 21 CO 0.00 0.24 0.12 -0.61 -0.69 0.00 0.00 178.15 177.21 3lo5 h GLN 22 N 1.04 1.05 0.16 2.37 5.75 -0.94 0.29 115.11 124.83 3lo5 h GLN 22 Ca 0.27 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3lo5 h GLN 22 Cb 0.00 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.42 3lo5 h GLN 22 CO -0.05 0.95 -0.08 1.25 -2.65 0.00 0.00 178.83 178.26 3lo5 h LEU 23 N 0.99 -0.18 0.33 -2.39 5.85 -0.61 -1.80 115.31 117.50 3lo5 h LEU 23 Ca 0.20 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3lo5 h LEU 23 Cb 0.40 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3lo5 h LEU 23 CO 0.01 0.17 -0.16 0.40 -0.34 0.00 0.00 178.44 178.52 3lo5 h ILE 24 N -0.56 0.00 -0.01 4.05 1.08 -0.91 -3.37 117.51 117.79 3lo5 h ILE 24 Ca -0.02 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.08 3lo5 h ILE 24 Cb 0.43 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 3lo5 h ILE 24 CO 0.04 0.00 -0.29 0.00 -0.69 0.00 0.00 178.15 177.21 3lo5 n GLN 25 N -4.23 1.02 -1.86 2.37 6.02 1.00 -4.96 117.38 116.74 3lo5 n GLN 25 Ca -0.06 -0.68 -0.11 0.00 -0.01 0.00 0.00 57.00 56.14 3lo5 n GLN 25 Cb 0.18 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 3lo5 n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3lo5 n ASN 26 N -0.40 -3.94 -3.69 1.08 5.15 -0.68 -4.97 115.26 107.80 3lo5 n ASN 26 Ca 0.12 0.10 -0.11 0.00 -0.60 0.00 0.00 54.58 54.09 3lo5 n ASN 26 Cb 0.38 -2.88 -0.06 0.00 -0.53 0.00 0.00 39.78 36.69 3lo5 n ASN 26 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 3lo5 s HIS 27 N -2.51 -0.16 -0.13 1.20 -3.43 -1.26 -4.99 115.29 104.01 3lo5 s HIS 27 Ca 0.00 -0.06 -0.02 0.00 -0.80 0.00 0.00 55.06 54.18 3lo5 s HIS 27 Cb 0.00 0.17 -0.02 0.00 -1.43 0.00 0.00 32.58 31.30 3lo5 s HIS 27 CO 0.00 -0.60 -0.08 0.12 -2.00 0.00 0.00 174.74 172.18 3lo5 s PHE 28 N -3.18 2.93 0.13 0.38 5.36 -1.26 -3.67 117.98 118.67 3lo5 s PHE 28 Ca -0.01 -0.38 0.00 0.00 -0.96 0.00 0.00 56.93 55.58 3lo5 s PHE 28 Cb 0.01 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.81 3lo5 s PHE 28 CO -0.07 -0.05 0.00 1.33 -1.46 0.00 0.00 175.22 174.97 3lo5 n VAL 29 N 3.35 0.00 -0.16 3.12 0.24 -1.26 -5.07 118.33 118.54 3lo5 n VAL 29 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 3lo5 n VAL 29 Cb 0.53 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 3lo5 n VAL 29 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3lo5 n ASP 38 N -2.85 -0.67 -4.98 -1.34 2.03 -1.26 -4.98 116.55 102.50 3lo5 n ASP 38 Ca 0.00 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.11 3lo5 n ASP 38 Cb 0.00 -0.32 0.01 0.00 -0.72 0.00 0.00 41.12 40.09 3lo5 n ASP 38 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3lo5 s SER 39 N -0.01 5.65 -0.01 1.67 0.15 -1.26 -4.60 113.70 115.30 3lo5 s SER 39 Ca 0.00 -0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.55 3lo5 s SER 39 Cb 0.00 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.27 3lo5 s SER 39 CO 0.00 -0.79 0.02 -0.31 1.20 0.00 0.00 173.24 173.36 3lo5 s TYR 40 N -2.47 -0.02 -0.11 3.44 2.02 0.45 -4.98 117.35 115.68 3lo5 s TYR 40 Ca 0.52 0.04 -0.02 0.00 -0.37 0.00 0.00 57.07 57.24 3lo5 s TYR 40 Cb -0.10 0.00 0.04 0.00 -0.40 0.00 0.00 41.96 41.50 3lo5 s TYR 40 CO 0.35 -0.02 0.03 1.03 -1.57 0.00 0.00 175.55 175.37 3lo5 s ARG 41 N -0.03 0.47 -0.10 -0.62 0.52 -1.25 0.48 118.95 118.43 3lo5 s ARG 41 Ca -0.00 -0.01 0.02 0.00 -0.52 0.00 0.00 55.73 55.22 3lo5 s ARG 41 Cb -0.00 -1.30 0.01 0.00 0.52 0.00 0.00 34.95 34.18 3lo5 s ARG 41 CO 0.00 -0.43 -0.17 0.21 0.02 0.00 0.00 175.30 174.93 3lo5 s LYS 42 N 1.99 2.37 -0.04 3.54 2.20 -0.59 -4.95 119.74 124.26 3lo5 s LYS 42 Ca 0.03 -0.63 -0.27 0.00 -0.36 0.00 0.00 55.97 54.74 3lo5 s LYS 42 Cb -0.14 -1.93 -0.03 0.00 -1.51 0.00 0.00 37.83 34.22 3lo5 s LYS 42 CO -0.06 0.01 0.87 -1.14 -0.36 0.00 0.00 175.35 174.67 3lo5 s GLN 43 N 0.77 4.49 -0.06 4.03 0.74 -1.26 -1.27 119.66 127.10 3lo5 s GLN 43 Ca -0.11 1.19 -0.23 0.00 0.05 0.00 0.00 55.36 56.26 3lo5 s GLN 43 Cb -0.16 -3.47 0.05 0.00 1.10 0.00 0.00 33.01 30.54 3lo5 s GLN 43 CO 0.02 -0.03 0.51 0.54 -0.55 0.00 0.00 175.29 175.78 3lo5 s VAL 44 N 1.04 0.02 -0.28 1.34 0.11 -0.37 -5.01 120.40 117.26 3lo5 s VAL 44 Ca 0.46 -0.19 -0.17 0.00 -2.93 0.00 0.00 61.98 59.15 3lo5 s VAL 44 Cb -0.19 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 3lo5 s VAL 44 CO 0.23 -0.10 0.47 -0.69 -3.33 0.00 0.00 175.10 171.67 3lo5 s VAL 45 N -1.02 5.09 -0.17 2.04 1.01 -1.26 -1.09 120.40 125.00 3lo5 s VAL 45 Ca -0.10 0.68 0.01 0.00 0.00 0.00 0.00 61.98 62.57 3lo5 s VAL 45 Cb -0.03 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.57 3lo5 s VAL 45 CO 0.06 0.06 -0.17 -0.63 0.00 0.00 0.00 175.10 174.42 3lo5 s ILE 46 N 2.25 1.85 -1.46 2.22 1.01 0.30 -4.73 121.20 122.63 3lo5 s ILE 46 Ca 0.19 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 59.87 3lo5 s ILE 46 Cb -0.16 -1.73 0.06 0.00 0.01 0.00 0.00 42.46 40.64 3lo5 s ILE 46 CO 0.10 0.45 0.89 0.47 0.00 0.00 0.00 174.94 176.84 3lo5 n ASP 47 N 4.67 -3.60 0.00 3.58 8.00 -1.26 -1.39 116.55 126.55 3lo5 n ASP 47 Ca -0.19 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.52 3lo5 n ASP 47 Cb 0.49 -3.92 0.00 0.00 -0.02 0.00 0.00 41.12 37.67 3lo5 n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3lo5 n GLY 48 N -1.67 2.73 3.63 0.44 0.00 -1.26 -4.99 105.19 104.06 3lo5 n GLY 48 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 3lo5 n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3lo5 s GLU 49 N -0.17 4.08 -0.22 1.61 2.12 -0.49 -5.04 118.70 120.59 3lo5 s GLU 49 Ca 0.00 0.19 -0.29 0.00 0.36 0.00 0.00 54.97 55.23 3lo5 s GLU 49 Cb 0.00 -3.62 0.01 0.00 0.26 0.00 0.00 34.13 30.78 3lo5 s GLU 49 CO 0.00 -0.23 1.05 0.99 -0.54 0.00 0.00 175.26 176.53 3lo5 s THR 50 N 1.93 4.66 0.19 -1.70 2.01 -1.26 -0.54 115.64 120.93 3lo5 s THR 50 Ca 0.18 2.00 -0.03 0.00 0.31 0.00 0.00 61.69 64.16 3lo5 s THR 50 Cb -0.15 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 3lo5 s THR 50 CO 0.09 -0.17 0.16 0.00 -0.69 0.00 0.00 174.62 174.02 3lo5 s LEU 52 N -3.12 2.86 -0.26 0.00 2.96 0.11 -1.23 118.68 120.00 3lo5 s LEU 52 Ca 0.34 -0.81 -0.21 0.00 -0.22 0.00 0.00 54.13 53.23 3lo5 s LEU 52 Cb 0.06 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 45.13 3lo5 s LEU 52 CO 0.10 -0.08 0.66 -0.76 -1.32 0.00 0.00 176.35 174.95 3lo5 s LEU 53 N 1.31 4.07 -0.49 -0.68 1.43 -0.40 -1.03 118.68 122.90 3lo5 s LEU 53 Ca 0.01 0.72 -0.07 0.00 -1.03 0.00 0.00 54.13 53.76 3lo5 s LEU 53 Cb -0.16 -2.91 0.13 0.00 0.03 0.00 0.00 46.19 43.28 3lo5 s LEU 53 CO -0.07 -0.42 0.34 -0.62 0.23 0.00 0.00 176.35 175.81 3lo5 s ASP 54 N 1.48 5.56 -0.43 2.29 2.15 0.42 -1.54 116.67 126.60 3lo5 s ASP 54 Ca 0.28 -2.10 -0.18 0.00 0.43 0.00 0.00 52.55 50.97 3lo5 s ASP 54 Cb -0.15 -1.95 0.02 0.00 -0.30 0.00 0.00 42.92 40.54 3lo5 s ASP 54 CO 0.09 -0.61 0.50 -0.63 -0.17 0.00 0.00 175.17 174.35 3lo5 s ILE 55 N 1.06 5.02 0.00 4.11 1.01 0.18 0.39 121.20 132.97 3lo5 s ILE 55 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.48 3lo5 s ILE 55 Cb -0.24 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.14 3lo5 s ILE 55 CO -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 174.94 174.43 3lo5 n LEU 56 N 5.78 0.00 0.28 2.97 -0.00 -0.43 -0.41 117.00 125.19 3lo5 n LEU 56 Ca -0.06 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.79 3lo5 n LEU 56 Cb 0.47 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.81 3lo5 n LEU 56 CO 0.48 0.00 0.61 0.44 -0.00 0.00 0.00 177.39 178.92 3lo5 h ASP 57 N 0.00 -0.59 0.00 1.45 3.45 -1.82 -3.42 116.42 115.49 3lo5 h ASP 57 Ca 0.00 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.43 3lo5 h ASP 57 Cb 0.00 0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 3lo5 h ASP 57 CO 0.00 -0.33 0.00 0.80 -1.57 0.00 0.00 179.24 178.14 3lo5 n MET 72 N -5.34 0.00 -1.53 3.56 0.00 -1.26 -1.92 117.12 110.62 3lo5 n MET 72 Ca -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.52 3lo5 n MET 72 Cb 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 33.22 33.41 3lo5 n MET 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3lo5 n ARG 73 N -0.80 -0.46 -3.59 2.12 3.00 -1.26 -3.72 116.66 111.96 3lo5 n ARG 73 Ca 0.00 0.56 -0.16 0.00 -0.01 0.00 0.00 57.85 58.24 3lo5 n ARG 73 Cb 0.00 -4.36 -0.14 0.00 0.00 0.00 0.00 32.46 27.96 3lo5 n ARG 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3lo5 s THR 74 N -2.26 -0.34 0.38 0.55 2.01 -1.26 -5.20 115.64 109.53 3lo5 s THR 74 Ca 0.00 0.12 -0.00 0.00 0.31 0.00 0.00 61.69 62.12 3lo5 s THR 74 Cb 0.00 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 3lo5 s THR 74 CO 0.00 -0.02 0.60 -0.83 -0.69 0.00 0.00 174.62 173.68 3lo5 s GLY 75 N 2.35 1.40 -0.02 4.40 0.00 -1.24 -5.01 107.32 109.19 3lo5 s GLY 75 Ca 0.04 -0.88 0.22 0.00 0.00 0.00 0.00 44.72 44.10 3lo5 s GLY 75 CO -0.09 -0.79 0.55 1.18 0.00 0.00 0.00 173.10 173.95 3lo5 n GLU 76 N -1.90 0.58 -3.75 2.90 1.02 0.18 -4.96 120.64 114.71 3lo5 n GLU 76 Ca -0.03 -0.17 -0.13 0.00 -0.02 0.00 0.00 57.16 56.81 3lo5 n GLU 76 Cb 0.56 -1.53 -0.09 0.00 -0.02 0.00 0.00 31.44 30.36 3lo5 n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3lo5 s GLY 77 N -4.33 -0.20 -0.10 0.62 0.00 -1.16 -4.25 107.32 97.89 3lo5 s GLY 77 Ca -0.06 0.60 0.01 0.00 0.00 0.00 0.00 44.72 45.28 3lo5 s GLY 77 CO 0.90 0.42 -0.13 -1.36 0.00 0.00 0.00 173.10 172.93 3lo5 s PHE 78 N -0.75 1.80 -0.44 1.90 0.08 -0.27 -0.83 117.98 119.47 3lo5 s PHE 78 Ca -0.08 -0.83 -0.24 0.00 0.12 0.00 0.00 56.93 55.90 3lo5 s PHE 78 Cb -0.04 -1.33 0.02 0.00 -0.57 0.00 0.00 43.02 41.11 3lo5 s PHE 78 CO 0.03 -0.45 0.86 -0.51 -0.10 0.00 0.00 175.22 175.06 3lo5 s LEU 79 N 1.05 4.10 -0.52 -0.37 1.02 0.12 -1.56 118.68 122.52 3lo5 s LEU 79 Ca -0.06 0.09 -0.20 0.00 0.02 0.00 0.00 54.13 53.98 3lo5 s LEU 79 Cb -0.15 -3.10 0.06 0.00 0.02 0.00 0.00 46.19 43.02 3lo5 s LEU 79 CO -0.02 -0.96 0.69 0.00 0.02 0.00 0.00 176.35 176.08 3lo5 s VAL 81 N 2.90 4.45 0.31 0.00 1.01 0.20 -0.09 120.40 129.18 3lo5 s VAL 81 Ca 0.18 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.00 3lo5 s VAL 81 Cb -0.18 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3lo5 s VAL 81 CO 0.13 0.57 0.13 0.72 0.00 0.00 0.00 175.10 176.64 3lo5 s PHE 82 N -0.52 1.64 -0.08 5.22 -0.71 -0.10 -4.16 117.98 119.27 3lo5 s PHE 82 Ca 0.09 -1.26 0.02 0.00 -1.04 0.00 0.00 56.93 54.74 3lo5 s PHE 82 Cb -0.12 -0.95 -0.02 0.00 -1.21 0.00 0.00 43.02 40.72 3lo5 s PHE 82 CO 0.02 -0.39 -0.12 0.00 -1.34 0.00 0.00 175.22 173.39 3lo5 s ALA 83 N -3.57 2.72 -1.17 1.99 0.00 -1.26 0.03 121.76 120.49 3lo5 s ALA 83 Ca 0.35 -0.93 0.19 0.00 0.00 0.00 0.00 51.96 51.57 3lo5 s ALA 83 Cb 0.06 -1.10 0.87 0.00 0.00 0.00 0.00 23.12 22.94 3lo5 s ALA 83 CO 0.16 0.46 1.60 0.44 0.00 0.00 0.00 175.76 178.41 3lo5 n ILE 84 N 2.69 0.60 -0.81 0.00 -5.35 -0.83 -1.12 119.36 114.54 3lo5 n ILE 84 Ca -0.18 0.15 0.08 0.00 -0.27 0.00 0.00 62.75 62.53 3lo5 n ILE 84 Cb 0.52 -0.83 0.32 0.00 -1.74 0.00 0.00 39.64 37.92 3lo5 n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3lo5 n ASN 85 N -1.41 4.64 -3.41 7.28 6.94 -1.26 -0.05 115.26 127.99 3lo5 n ASN 85 Ca 0.06 -2.77 -0.26 0.00 -0.02 0.00 0.00 54.58 51.59 3lo5 n ASN 85 Cb 0.19 -0.57 -0.11 0.00 -2.36 0.00 0.00 39.78 36.93 3lo5 n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3lo5 s ASN 86 N -1.23 2.16 0.24 0.53 3.84 -0.27 -4.78 114.94 115.42 3lo5 s ASN 86 Ca 0.47 -2.37 -0.05 0.00 0.21 0.00 0.00 52.86 51.13 3lo5 s ASN 86 Cb 0.35 -0.23 0.46 0.00 -0.55 0.00 0.00 41.25 41.28 3lo5 s ASN 86 CO 0.16 -0.25 1.70 0.74 -2.79 0.00 0.00 177.10 176.65 3lo5 h THR 87 N 4.90 0.57 -0.84 -5.21 2.02 -1.87 -2.15 112.91 110.34 3lo5 h THR 87 Ca 0.12 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 3lo5 h THR 87 Cb 0.97 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 3lo5 h THR 87 CO 0.28 0.06 0.41 0.50 0.37 0.00 0.00 175.52 177.14 3lo5 h LYS 88 N 0.34 1.19 -0.21 6.66 3.64 -1.95 -0.99 116.57 125.25 3lo5 h LYS 88 Ca 0.41 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3lo5 h LYS 88 Cb 0.68 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3lo5 h LYS 88 CO -0.46 0.91 0.07 0.66 -2.27 0.00 0.00 179.45 178.35 3lo5 h SER 89 N 1.19 0.26 -0.18 4.20 4.64 -1.73 0.09 113.55 122.02 3lo5 h SER 89 Ca 0.29 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.53 3lo5 h SER 89 Cb 0.10 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3lo5 h SER 89 CO -0.04 0.25 -0.10 0.15 -0.87 0.00 0.00 176.83 176.22 3lo5 h PHE 90 N 0.29 0.45 0.00 4.77 3.57 -1.06 -3.03 116.94 121.93 3lo5 h PHE 90 Ca 0.07 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 3lo5 h PHE 90 Cb 0.09 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 3lo5 h PHE 90 CO 0.00 0.71 -0.15 0.93 -2.23 0.00 0.00 178.31 177.57 3lo5 h GLU 91 N 0.07 0.00 0.00 1.11 5.08 -0.42 -2.48 114.58 117.95 3lo5 h GLU 91 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3lo5 h GLU 91 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3lo5 h GLU 91 CO 0.03 0.15 0.00 -0.44 -1.00 0.00 0.00 179.01 177.75 3lo5 h ASP 92 N 0.00 0.00 -0.83 1.42 3.32 -0.92 -3.33 116.42 116.08 3lo5 h ASP 92 Ca -0.00 0.00 0.18 0.00 0.02 0.00 0.00 57.03 57.23 3lo5 h ASP 92 Cb 0.35 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.79 3lo5 h ASP 92 CO 0.02 0.00 0.33 0.40 -1.72 0.00 0.00 179.24 178.27 3lo5 h ILE 93 N 0.00 0.55 -0.97 0.35 1.08 -1.33 -1.22 117.51 115.97 3lo5 h ILE 93 Ca 0.00 -0.14 0.04 0.00 -0.39 0.00 0.00 64.86 64.37 3lo5 h ILE 93 Cb 0.93 0.10 -0.06 0.00 -3.07 0.00 0.00 36.82 34.73 3lo5 h ILE 93 CO 0.00 0.07 0.63 -0.74 -0.69 0.00 0.00 178.15 177.43 3lo5 h HIS 94 N 0.41 1.18 -0.33 1.37 2.76 -1.77 -1.12 115.15 117.65 3lo5 h HIS 94 Ca 0.49 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.71 3lo5 h HIS 94 Cb 0.85 -0.39 -0.03 0.00 1.55 0.00 0.00 27.41 29.39 3lo5 h HIS 94 CO -0.17 0.67 0.17 1.96 -1.30 0.00 0.00 177.93 179.27 3lo5 h GLN 95 N 1.21 0.35 -0.55 5.26 4.20 -1.47 -1.28 115.11 122.84 3lo5 h GLN 95 Ca 0.39 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.07 3lo5 h GLN 95 Cb 0.02 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 3lo5 h GLN 95 CO -0.13 0.23 0.31 1.88 -0.67 0.00 0.00 178.83 180.45 3lo5 h TYR 96 N 0.36 0.74 -0.58 2.96 0.05 -1.05 -1.75 116.97 117.71 3lo5 h TYR 96 Ca 0.14 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.83 3lo5 h TYR 96 Cb 0.04 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.52 3lo5 h TYR 96 CO -0.09 0.53 0.06 -0.09 -1.05 0.00 0.00 178.16 177.52 3lo5 h ARG 97 N 0.74 0.99 -0.96 4.88 2.43 -1.09 -1.82 114.38 119.54 3lo5 h ARG 97 Ca 0.19 -0.28 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3lo5 h ARG 97 Cb 0.03 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 3lo5 h ARG 97 CO -0.03 0.95 0.63 0.93 -1.51 0.00 0.00 179.97 180.94 3lo5 h GLU 98 N 0.88 1.22 0.28 0.20 4.39 -0.96 0.81 114.58 121.40 3lo5 h GLU 98 Ca 0.17 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 3lo5 h GLU 98 Cb 0.47 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3lo5 h GLU 98 CO 0.02 0.81 -0.13 0.37 -1.16 0.00 0.00 179.01 178.91 3lo5 h GLN 99 N 1.26 -0.36 -0.65 2.33 4.15 -1.09 -1.41 115.11 119.33 3lo5 h GLN 99 Ca 0.37 0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.93 3lo5 h GLN 99 Cb -0.07 0.08 -0.08 0.00 0.21 0.00 0.00 27.48 27.62 3lo5 h GLN 99 CO -0.10 -0.17 0.23 0.82 -1.93 0.00 0.00 178.83 177.68 3lo5 h ILE 100 N -0.48 0.71 -0.82 2.39 2.04 -0.91 0.83 117.51 121.26 3lo5 h ILE 100 Ca -0.04 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 3lo5 h ILE 100 Cb 0.36 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 3lo5 h ILE 100 CO 0.06 0.07 0.38 0.11 0.00 0.00 0.00 178.15 178.77 3lo5 h LYS 101 N 0.39 1.20 -0.13 2.37 1.57 -0.68 0.21 116.57 121.51 3lo5 h LYS 101 Ca 0.34 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3lo5 h LYS 101 Cb 0.47 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3lo5 h LYS 101 CO -0.36 0.94 -0.05 -0.09 -0.57 0.00 0.00 179.45 179.32 3lo5 h ARG 102 N 1.18 0.27 -0.50 3.15 2.43 -0.38 -1.13 114.38 119.40 3lo5 h ARG 102 Ca 0.28 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3lo5 h ARG 102 Cb 0.15 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3lo5 h ARG 102 CO -0.03 0.58 0.30 0.28 -1.51 0.00 0.00 179.97 179.59 3lo5 h VAL 103 N -0.06 1.15 -0.00 0.20 2.07 -0.67 -2.01 116.25 116.92 3lo5 h VAL 103 Ca 0.03 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3lo5 h VAL 103 Cb 0.49 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3lo5 h VAL 103 CO 0.02 0.16 -0.01 0.29 0.02 0.00 0.00 177.57 178.04 3lo5 n LYS 104 N -4.69 1.07 -2.10 1.57 4.76 0.05 -4.89 118.16 113.93 3lo5 n LYS 104 Ca 0.02 -0.25 -0.11 0.00 -2.87 0.00 0.00 58.31 55.10 3lo5 n LYS 104 Cb 0.05 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.73 3lo5 n LYS 104 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3lo5 n ASP 105 N -0.74 -3.49 -4.13 4.39 2.03 -0.50 -4.91 116.55 109.20 3lo5 n ASP 105 Ca 0.21 0.24 -0.09 0.00 0.52 0.00 0.00 54.79 55.67 3lo5 n ASP 105 Cb 0.20 -3.07 -0.10 0.00 -0.72 0.00 0.00 41.12 37.43 3lo5 n ASP 105 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3lo5 s SER 106 N -2.01 0.80 -0.12 1.67 0.15 -0.78 -5.02 113.70 108.39 3lo5 s SER 106 Ca 0.00 -1.00 0.18 0.00 0.70 0.00 0.00 55.95 55.84 3lo5 s SER 106 Cb 0.00 0.15 -0.26 0.00 -1.71 0.00 0.00 66.02 64.20 3lo5 s SER 106 CO 0.00 -0.53 0.30 -0.67 1.20 0.00 0.00 173.24 173.54 3lo5 n ASP 107 N 0.06 0.16 -4.16 5.45 2.03 -1.26 -4.47 116.55 114.36 3lo5 n ASP 107 Ca -0.13 0.07 -0.39 0.00 0.52 0.00 0.00 54.79 54.86 3lo5 n ASP 107 Cb 0.61 1.07 -0.08 0.00 -0.72 0.00 0.00 41.12 42.00 3lo5 n ASP 107 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 3lo5 s ASP 108 N -5.33 5.65 -0.12 1.67 -4.77 -1.26 -5.05 116.67 107.46 3lo5 s ASP 108 Ca -0.08 -2.82 -0.02 0.00 -3.30 0.00 0.00 52.55 46.32 3lo5 s ASP 108 Cb 0.08 -1.95 -0.03 0.00 -1.09 0.00 0.00 42.92 39.94 3lo5 s ASP 108 CO 0.85 -0.42 -0.06 -0.69 0.70 0.00 0.00 175.17 175.55 3lo5 s VAL 109 N -0.02 3.75 -0.08 2.11 1.01 -1.26 -5.05 120.40 120.85 3lo5 s VAL 109 Ca 0.17 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 61.42 3lo5 s VAL 109 Cb -0.17 -2.60 -0.09 0.00 0.00 0.00 0.00 36.38 33.52 3lo5 s VAL 109 CO -0.05 0.53 2.04 -2.65 0.00 0.00 0.00 175.10 174.97 3lo5 n PRO 110 N 3.11 2.37 -3.56 2.72 -0.02 -1.26 -4.93 135.00 133.44 3lo5 n PRO 110 Ca -0.18 0.81 -0.14 0.00 -2.02 0.00 0.00 63.50 61.98 3lo5 n PRO 110 Cb 0.53 -2.96 -0.05 0.00 -0.02 0.00 0.00 33.50 31.00 3lo5 n PRO 110 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3lo5 s MET 111 N 5.01 1.06 -0.02 -0.52 0.23 -1.26 -1.12 119.30 122.68 3lo5 s MET 111 Ca 0.94 -0.23 0.06 0.00 -1.03 0.00 0.00 55.69 55.44 3lo5 s MET 111 Cb -0.49 0.49 -0.01 0.00 -1.53 0.00 0.00 34.83 33.28 3lo5 s MET 111 CO 0.43 -0.39 -0.20 0.08 -2.03 0.00 0.00 175.02 172.91 3lo5 s VAL 112 N -2.50 1.61 -0.22 5.16 1.01 -0.60 -4.32 120.40 120.54 3lo5 s VAL 112 Ca -0.05 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 3lo5 s VAL 112 Cb -0.01 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 3lo5 s VAL 112 CO -0.02 0.46 0.66 -0.22 0.00 0.00 0.00 175.10 175.98 3lo5 s LEU 113 N -0.43 4.11 -0.17 3.92 2.96 -0.25 -0.87 118.68 127.94 3lo5 s LEU 113 Ca 0.07 0.83 -0.01 0.00 -0.22 0.00 0.00 54.13 54.79 3lo5 s LEU 113 Cb -0.08 -2.93 -0.01 0.00 0.50 0.00 0.00 46.19 43.67 3lo5 s LEU 113 CO -0.00 -0.35 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.88 3lo5 s VAL 114 N 2.26 2.99 -0.55 1.68 1.01 0.88 -1.06 120.40 127.61 3lo5 s VAL 114 Ca 0.29 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.47 3lo5 s VAL 114 Cb -0.16 -2.30 0.13 0.00 0.00 0.00 0.00 36.38 34.06 3lo5 s VAL 114 CO 0.09 0.49 0.49 -0.83 0.00 0.00 0.00 175.10 175.35 3lo5 s GLY 115 N 0.97 2.12 0.64 4.51 0.00 -0.44 -0.92 107.32 114.20 3lo5 s GLY 115 Ca -0.02 -2.60 -0.05 0.00 0.00 0.00 0.00 44.72 42.06 3lo5 s GLY 115 CO -0.01 1.19 0.92 0.21 0.00 0.00 0.00 173.10 175.41 3lo5 s ASN 116 N 3.35 5.14 -1.10 1.64 2.47 0.10 -1.09 114.94 125.45 3lo5 s ASN 116 Ca 0.04 0.42 -0.03 0.00 0.42 0.00 0.00 52.86 53.72 3lo5 s ASN 116 Cb -0.28 -1.22 0.00 0.00 -1.45 0.00 0.00 41.25 38.30 3lo5 s ASN 116 CO 0.02 -1.34 0.34 0.29 -3.72 0.00 0.00 177.10 172.69 3lo5 n LYS 117 N -2.69 -2.95 0.00 0.43 5.02 -0.83 -1.96 118.16 115.18 3lo5 n LYS 117 Ca 0.07 0.64 0.08 0.00 -2.02 0.00 0.00 58.31 57.08 3lo5 n LYS 117 Cb 0.59 -4.92 0.44 0.00 -0.02 0.00 0.00 35.03 31.13 3lo5 n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3lo5 n ASP 119 N -1.10 0.37 -4.82 0.00 5.75 -1.26 -4.88 116.55 110.61 3lo5 n ASP 119 Ca 0.10 0.21 -0.36 0.00 -0.01 0.00 0.00 54.79 54.74 3lo5 n ASP 119 Cb 0.08 -0.20 -0.06 0.00 -1.03 0.00 0.00 41.12 39.91 3lo5 n ASP 119 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3lo5 s LEU 120 N -3.39 4.35 0.35 -2.12 1.43 -0.66 -4.99 118.68 113.66 3lo5 s LEU 120 Ca 0.11 1.30 0.22 0.00 -1.03 0.00 0.00 54.13 54.74 3lo5 s LEU 120 Cb 0.17 -3.44 0.21 0.00 0.03 0.00 0.00 46.19 43.15 3lo5 s LEU 120 CO 0.62 0.07 1.41 0.00 0.23 0.00 0.00 176.35 178.68 3lo5 h ALA 121 N 3.54 0.82 -0.18 4.21 0.00 -1.89 -3.39 119.26 122.37 3lo5 h ALA 121 Ca -0.48 -0.05 -0.69 0.00 0.00 0.00 0.00 54.91 53.68 3lo5 h ALA 121 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3lo5 h ALA 121 CO 0.65 0.07 3.45 0.00 0.00 0.00 0.00 179.25 183.42 3lo5 n ALA 122 N -2.14 7.31 -2.49 0.00 0.00 -1.26 -4.94 120.51 116.98 3lo5 n ALA 122 Ca 0.02 -3.69 -0.43 0.00 0.00 0.00 0.00 53.44 49.34 3lo5 n ALA 122 Cb 0.56 -3.22 -0.02 0.00 0.00 0.00 0.00 19.45 16.76 3lo5 n ALA 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3lo5 s ARG 123 N 1.31 4.29 -0.00 0.00 3.52 -1.26 -4.07 118.95 122.73 3lo5 s ARG 123 Ca 0.65 1.59 0.07 0.00 -0.13 0.00 0.00 55.73 57.91 3lo5 s ARG 123 Cb 0.18 -3.67 -0.08 0.00 -1.56 0.00 0.00 34.95 29.82 3lo5 s ARG 123 CO -0.07 -0.59 0.28 0.25 -0.81 0.00 0.00 175.30 174.36 3lo5 n THR 124 N 5.09 0.00 -3.89 4.11 -2.24 0.92 -4.90 114.28 113.37 3lo5 n THR 124 Ca 0.12 -0.32 -0.35 0.00 -2.27 0.00 0.00 64.05 61.23 3lo5 n THR 124 Cb 0.46 0.94 -0.14 0.00 -2.10 0.00 0.00 70.33 69.49 3lo5 n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3lo5 s VAL 125 N -1.73 3.17 0.42 2.28 1.01 -0.85 -4.85 120.40 119.85 3lo5 s VAL 125 Ca 0.02 -1.12 -0.24 0.00 0.00 0.00 0.00 61.98 60.64 3lo5 s VAL 125 Cb 0.05 -2.71 -0.08 0.00 0.00 0.00 0.00 36.38 33.64 3lo5 s VAL 125 CO 0.28 0.03 1.12 -1.61 0.00 0.00 0.00 175.10 174.93 3lo5 s GLU 126 N 1.33 3.97 0.28 2.72 2.02 -1.26 -4.89 118.70 122.87 3lo5 s GLU 126 Ca -0.02 1.69 0.02 0.00 0.02 0.00 0.00 54.97 56.68 3lo5 s GLU 126 Cb -0.18 -2.51 0.60 0.00 0.10 0.00 0.00 34.13 32.13 3lo5 s GLU 126 CO -0.01 -0.35 1.80 1.03 0.02 0.00 0.00 175.26 177.75 3lo5 h SER 127 N 2.34 0.78 -0.86 -0.19 0.87 -2.00 -1.32 113.55 113.17 3lo5 h SER 127 Ca -0.49 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.19 3lo5 h SER 127 Cb 1.23 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 63.06 3lo5 h SER 127 CO 0.61 0.36 0.54 -0.09 -0.53 0.00 0.00 176.83 177.72 3lo5 h ARG 128 N 0.83 0.99 -0.27 2.24 2.43 -1.99 -0.14 114.38 118.47 3lo5 h ARG 128 Ca 0.51 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.65 3lo5 h ARG 128 Cb 0.65 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3lo5 h ARG 128 CO -0.32 0.66 0.06 1.96 -1.51 0.00 0.00 179.97 180.82 3lo5 h GLN 129 N 1.02 0.17 -0.39 0.20 4.20 -1.62 -0.18 115.11 118.51 3lo5 h GLN 129 Ca 0.36 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.96 3lo5 h GLN 129 Cb 0.08 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3lo5 h GLN 129 CO -0.14 0.11 -0.14 0.00 -0.67 0.00 0.00 178.83 177.99 3lo5 h ALA 130 N 1.19 1.02 -0.44 3.87 0.00 -1.21 -1.46 119.26 122.23 3lo5 h ALA 130 Ca 0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3lo5 h ALA 130 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3lo5 h ALA 130 CO -0.16 0.59 0.22 1.96 0.00 0.00 0.00 179.25 181.86 3lo5 h GLN 131 N 0.64 0.64 -0.52 0.00 4.20 -0.64 0.99 115.11 120.41 3lo5 h GLN 131 Ca 0.10 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3lo5 h GLN 131 Cb 0.61 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3lo5 h GLN 131 CO 0.04 0.54 0.30 -0.44 -0.67 0.00 0.00 178.83 178.60 3lo5 h ASP 132 N 0.58 0.64 -0.08 1.46 3.32 -0.77 0.20 116.42 121.76 3lo5 h ASP 132 Ca 0.15 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3lo5 h ASP 132 Cb 0.11 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3lo5 h ASP 132 CO -0.02 0.52 0.04 0.25 -1.72 0.00 0.00 179.24 178.32 3lo5 h LEU 133 N 0.70 0.11 -0.95 1.55 5.85 -1.04 -1.58 115.31 119.94 3lo5 h LEU 133 Ca 0.19 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3lo5 h LEU 133 Cb 0.01 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 3lo5 h LEU 133 CO -0.03 0.17 0.63 0.00 -0.34 0.00 0.00 178.44 178.86 3lo5 h ALA 134 N 0.94 1.20 -0.70 1.25 0.00 -0.57 -2.00 119.26 119.38 3lo5 h ALA 134 Ca 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3lo5 h ALA 134 Cb 0.09 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3lo5 h ALA 134 CO -0.00 0.60 0.31 -0.09 0.00 0.00 0.00 179.25 180.06 3lo5 h ARG 135 N 1.29 1.02 0.00 0.00 2.43 -0.36 0.61 114.38 119.37 3lo5 h ARG 135 Ca 0.35 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 3lo5 h ARG 135 Cb -0.15 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.22 3lo5 h ARG 135 CO -0.07 0.81 -0.19 0.66 -1.51 0.00 0.00 179.97 179.67 3lo5 h SER 136 N 1.01 0.00 0.70 -3.80 4.64 -0.58 -2.16 113.55 113.36 3lo5 h SER 136 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3lo5 h SER 136 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3lo5 h SER 136 CO -0.03 0.19 -0.74 -1.22 -0.87 0.00 0.00 176.83 174.17 3lo5 n TYR 137 N -3.68 0.42 -2.28 4.77 4.01 -0.53 -4.96 117.16 114.90 3lo5 n TYR 137 Ca -0.01 0.12 -0.09 0.00 -0.16 0.00 0.00 57.90 57.76 3lo5 n TYR 137 Cb 0.31 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 38.79 3lo5 n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3lo5 n GLY 138 N 1.36 0.05 3.34 2.72 0.00 0.09 -5.05 105.19 107.70 3lo5 n GLY 138 Ca 0.03 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 3lo5 n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3lo5 s ILE 139 N -2.54 1.66 0.55 -0.61 -4.36 -0.66 -5.03 121.20 110.22 3lo5 s ILE 139 Ca 0.04 -2.19 -0.19 0.00 -0.26 0.00 0.00 60.65 58.05 3lo5 s ILE 139 Cb -0.02 -2.04 -0.05 0.00 1.25 0.00 0.00 42.46 41.60 3lo5 s ILE 139 CO 0.04 -0.60 1.11 -2.84 0.24 0.00 0.00 174.94 172.90 3lo5 s PRO 140 N -3.66 3.33 -0.12 0.37 0.02 -1.26 -4.23 135.00 129.44 3lo5 s PRO 140 Ca 0.22 1.53 0.02 0.00 0.02 0.00 0.00 61.00 62.79 3lo5 s PRO 140 Cb -0.00 -2.01 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 3lo5 s PRO 140 CO 0.06 -0.85 -0.18 -0.47 -0.33 0.00 0.00 177.00 175.23 3lo5 s TYR 141 N -1.91 2.69 -0.03 6.54 5.04 -1.26 -1.09 117.35 127.33 3lo5 s TYR 141 Ca 0.71 -0.90 0.02 0.00 -2.44 0.00 0.00 57.07 54.45 3lo5 s TYR 141 Cb -0.22 -1.79 0.01 0.00 0.35 0.00 0.00 41.96 40.31 3lo5 s TYR 141 CO 0.29 -0.35 -0.06 0.42 -1.34 0.00 0.00 175.55 174.50 3lo5 s ILE 142 N 0.43 0.60 -0.06 3.14 1.01 -0.22 -4.99 121.20 121.10 3lo5 s ILE 142 Ca -0.13 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.15 3lo5 s ILE 142 Cb -0.17 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 41.69 3lo5 s ILE 142 CO 0.06 0.21 0.36 -1.61 0.00 0.00 0.00 174.94 173.96 3lo5 s GLU 143 N 0.42 3.98 0.29 2.79 2.02 -1.26 -1.32 118.70 125.61 3lo5 s GLU 143 Ca -0.06 0.28 0.04 0.00 0.02 0.00 0.00 54.97 55.25 3lo5 s GLU 143 Cb -0.10 -3.29 -0.06 0.00 0.10 0.00 0.00 34.13 30.79 3lo5 s GLU 143 CO 0.00 0.54 0.04 0.95 0.02 0.00 0.00 175.26 176.81 3lo5 s THR 144 N -0.54 1.10 -0.23 3.63 -4.23 -0.25 -4.41 115.64 110.70 3lo5 s THR 144 Ca 0.21 -2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 58.67 3lo5 s THR 144 Cb -0.15 -2.62 0.11 0.00 1.34 0.00 0.00 72.50 71.17 3lo5 s THR 144 CO 0.10 -0.11 0.24 -0.55 -0.54 0.00 0.00 174.62 173.76 3lo5 s SER 145 N -3.41 1.47 0.64 3.99 0.15 0.01 -1.55 113.70 115.01 3lo5 s SER 145 Ca 0.34 -0.36 0.41 0.00 0.70 0.00 0.00 55.95 57.04 3lo5 s SER 145 Cb 0.07 0.42 2.23 0.00 -1.71 0.00 0.00 66.02 67.04 3lo5 s SER 145 CO 0.13 -0.34 2.32 0.00 1.20 0.00 0.00 173.24 176.54 3lo5 h ALA 146 N 8.30 1.08 0.00 5.45 0.00 -1.89 0.61 119.26 132.81 3lo5 h ALA 146 Ca -0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3lo5 h ALA 146 Cb 1.13 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3lo5 h ALA 146 CO 0.30 0.01 -0.03 -0.22 0.00 0.00 0.00 179.25 179.31 3lo5 h LYS 147 N 0.00 0.00 0.00 0.00 3.64 -1.94 -3.35 116.57 114.92 3lo5 h LYS 147 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3lo5 h LYS 147 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3lo5 h LYS 147 CO 0.00 0.96 -0.74 0.25 -2.27 0.00 0.00 179.45 177.64 3lo5 n THR 148 N -4.61 0.05 -0.61 1.00 -2.24 -1.15 -4.73 114.28 101.98 3lo5 n THR 148 Ca -0.10 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3lo5 n THR 148 Cb 0.46 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 3lo5 n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3lo5 n ARG 149 N -1.63 0.00 -1.66 -0.78 0.63 0.21 -4.99 116.66 108.45 3lo5 n ARG 149 Ca 0.04 0.00 -0.48 0.00 -0.92 0.00 0.00 57.85 56.49 3lo5 n ARG 149 Cb 0.36 -2.01 -0.05 0.00 0.45 0.00 0.00 32.46 31.21 3lo5 n ARG 149 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3lo5 n GLN 150 N -2.00 1.86 -0.54 -0.14 7.27 -1.14 -2.40 117.38 120.28 3lo5 n GLN 150 Ca 0.00 0.67 0.00 0.00 0.07 0.00 0.00 57.00 57.74 3lo5 n GLN 150 Cb 0.00 -2.42 0.00 0.00 2.41 0.00 0.00 30.24 30.23 3lo5 n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3lo5 n GLY 151 N 3.42 0.83 0.29 1.69 0.00 -1.26 -0.81 105.19 109.35 3lo5 n GLY 151 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 3lo5 n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3lo5 h VAL 152 N 0.00 0.48 -0.63 1.61 2.07 -1.77 0.36 116.25 118.37 3lo5 h VAL 152 Ca 0.00 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.41 3lo5 h VAL 152 Cb 0.00 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 3lo5 h VAL 152 CO 0.00 0.03 0.35 -0.33 0.02 0.00 0.00 177.57 177.64 3lo5 h GLU 153 N -0.79 0.64 -0.91 1.57 5.08 -1.89 -2.17 114.58 116.10 3lo5 h GLU 153 Ca -0.07 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3lo5 h GLU 153 Cb 0.57 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 3lo5 h GLU 153 CO 0.11 0.42 0.60 -0.44 -1.00 0.00 0.00 179.01 178.70 3lo5 h ASP 154 N 0.66 0.95 0.65 1.42 5.19 -1.89 0.14 116.42 123.55 3lo5 h ASP 154 Ca 0.28 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.65 3lo5 h ASP 154 Cb 0.15 -0.21 0.01 0.00 0.18 0.00 0.00 39.33 39.45 3lo5 h ASP 154 CO -0.16 0.64 -0.31 0.00 -3.12 0.00 0.00 179.24 176.28 3lo5 h ALA 155 N 1.49 -0.88 -0.20 3.45 0.00 -0.28 0.36 119.26 123.19 3lo5 h ALA 155 Ca 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3lo5 h ALA 155 Cb 0.09 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3lo5 h ALA 155 CO -0.13 -0.97 0.05 0.74 0.00 0.00 0.00 179.25 178.95 3lo5 h PHE 156 N -0.92 0.33 -0.74 0.00 0.04 -1.21 -1.86 116.94 112.59 3lo5 h PHE 156 Ca -0.09 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.64 3lo5 h PHE 156 Cb 0.69 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.71 3lo5 h PHE 156 CO -0.02 0.43 0.47 1.88 -0.60 0.00 0.00 178.31 180.46 3lo5 h TYR 157 N 0.14 0.95 -0.70 -0.55 -1.99 -0.76 -1.58 116.97 112.48 3lo5 h TYR 157 Ca 0.06 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.77 3lo5 h TYR 157 Cb 0.26 -0.32 -0.03 0.00 2.00 0.00 0.00 36.73 38.64 3lo5 h TYR 157 CO 0.01 0.62 0.32 1.15 -0.00 0.00 0.00 178.16 180.26 3lo5 h THR 158 N 1.00 1.23 -0.57 -2.88 2.02 -0.81 -1.82 112.91 111.08 3lo5 h THR 158 Ca 0.27 -0.66 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 3lo5 h THR 158 Cb -0.08 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 3lo5 h THR 158 CO -0.05 0.27 0.25 0.25 0.37 0.00 0.00 175.52 176.61 3lo5 h LEU 159 N 0.99 0.77 -0.89 2.58 5.85 -0.67 -1.48 115.31 122.47 3lo5 h LEU 159 Ca 0.24 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.84 3lo5 h LEU 159 Cb 0.13 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3lo5 h LEU 159 CO -0.03 0.71 0.58 0.58 -0.34 0.00 0.00 178.44 179.94 3lo5 h VAL 160 N 0.79 1.14 0.00 1.05 2.07 -0.80 -0.78 116.25 119.71 3lo5 h VAL 160 Ca 0.19 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3lo5 h VAL 160 Cb 0.17 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 3lo5 h VAL 160 CO -0.02 0.20 -0.09 0.03 0.02 0.00 0.00 177.57 177.71 3lo5 h ARG 161 N 1.11 0.00 0.07 1.57 3.08 -0.84 -1.39 114.38 117.99 3lo5 h ARG 161 Ca 0.36 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.16 3lo5 h ARG 161 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3lo5 h ARG 161 CO -0.12 0.09 -1.11 0.93 -1.07 0.00 0.00 179.97 178.69 3lo5 h GLU 162 N 0.00 0.31 -0.61 0.04 4.39 -0.16 -3.19 114.58 115.36 3lo5 h GLU 162 Ca -0.00 -0.43 -0.09 0.00 0.34 0.00 0.00 59.36 59.18 3lo5 h GLU 162 Cb 0.54 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 3lo5 h GLU 162 CO 0.01 1.16 0.02 0.82 -1.16 0.00 0.00 179.01 179.85 3lo5 h ILE 163 N 0.13 1.26 0.00 3.13 2.04 -0.52 -2.99 117.51 120.56 3lo5 h ILE 163 Ca -0.11 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 3lo5 h ILE 163 Cb 1.80 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.65 3lo5 h ILE 163 CO 0.18 0.41 -0.06 0.03 0.00 0.00 0.00 178.15 178.71 3lo5 h ARG 164 N 0.97 0.00 -0.01 2.37 3.08 -1.30 -1.81 114.38 117.68 3lo5 h ARG 164 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3lo5 h ARG 164 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3lo5 h ARG 164 CO 0.03 0.06 -0.07 1.04 -1.07 0.00 0.00 179.97 179.96 3lo5 n GLN 165 N -3.32 1.13 0.00 0.04 6.02 -1.13 -5.11 117.38 115.02 3lo5 n GLN 165 Ca -0.01 -0.51 0.08 0.00 -0.01 0.00 0.00 57.00 56.54 3lo5 n GLN 165 Cb 0.24 -1.49 0.06 0.00 1.02 0.00 0.00 30.24 30.07 3lo5 n GLN 165 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63