#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lo8 s ARG 3 N 0.00 3.64 -0.08 0.00 3.52 -1.26 -4.96 118.95 119.81 1lo8 s ARG 3 Ca 0.00 1.96 0.01 0.00 -0.13 0.00 0.00 55.73 57.57 1lo8 s ARG 3 Cb 0.00 -4.18 -0.03 0.00 -1.56 0.00 0.00 34.95 29.19 1lo8 s ARG 3 CO 0.00 -1.51 -0.08 0.45 -0.81 0.00 0.00 175.30 173.35 1lo8 s SER 4 N 5.62 4.48 0.02 -2.12 0.15 -1.26 -4.01 113.70 116.59 1lo8 s SER 4 Ca 0.84 -0.10 0.08 0.00 0.70 0.00 0.00 55.95 57.48 1lo8 s SER 4 Cb -0.31 -1.24 -0.03 0.00 -1.71 0.00 0.00 66.02 62.74 1lo8 s SER 4 CO 0.34 0.31 -0.25 -0.63 1.20 0.00 0.00 173.24 174.21 1lo8 s ILE 5 N -0.52 2.20 0.02 6.45 -1.09 0.10 -4.94 121.20 123.43 1lo8 s ILE 5 Ca 0.08 -1.24 0.06 0.00 -2.23 0.00 0.00 60.65 57.32 1lo8 s ILE 5 Cb -0.12 -1.83 -0.03 0.00 -1.58 0.00 0.00 42.46 38.90 1lo8 s ILE 5 CO 0.02 0.45 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.12 1lo8 s THR 6 N -0.74 2.87 0.02 2.92 2.01 -1.26 -1.13 115.64 120.33 1lo8 s THR 6 Ca 0.11 -1.08 -0.09 0.00 0.31 0.00 0.00 61.69 60.94 1lo8 s THR 6 Cb -0.10 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 70.22 1lo8 s THR 6 CO 0.01 0.39 0.18 0.00 -0.69 0.00 0.00 174.62 174.51 1lo8 s MET 7 N -1.30 0.61 0.09 4.92 0.23 0.41 -4.96 119.30 119.31 1lo8 s MET 7 Ca 0.14 -0.52 0.05 0.00 -1.03 0.00 0.00 55.69 54.33 1lo8 s MET 7 Cb -0.11 0.25 -0.04 0.00 -1.53 0.00 0.00 34.83 33.41 1lo8 s MET 7 CO 0.05 -0.16 0.02 -0.65 -2.03 0.00 0.00 175.02 172.24 1lo8 s GLN 8 N -2.04 2.62 -0.14 3.16 -0.21 -1.26 0.47 119.66 122.25 1lo8 s GLN 8 Ca -0.09 -0.82 -0.06 0.00 0.02 0.00 0.00 55.36 54.41 1lo8 s GLN 8 Cb -0.04 -2.57 0.06 0.00 1.00 0.00 0.00 33.01 31.46 1lo8 s GLN 8 CO -0.01 0.54 0.30 -1.14 -2.12 0.00 0.00 175.29 172.86 1lo8 s GLN 9 N -2.38 0.23 -0.09 2.91 2.00 0.65 -4.95 119.66 118.02 1lo8 s GLN 9 Ca 0.27 0.72 -0.18 0.00 -2.00 0.00 0.00 55.36 54.17 1lo8 s GLN 9 Cb -0.12 -0.01 -0.05 0.00 0.80 0.00 0.00 33.01 33.63 1lo8 s GLN 9 CO 0.19 -0.22 0.48 0.50 -0.50 0.00 0.00 175.29 175.74 1lo8 s ARG 10 N 1.88 4.29 0.01 1.67 3.52 -1.26 0.79 118.95 129.85 1lo8 s ARG 10 Ca -0.05 0.47 -0.26 0.00 -0.13 0.00 0.00 55.73 55.77 1lo8 s ARG 10 Cb -0.11 -3.40 -0.05 0.00 -1.56 0.00 0.00 34.95 29.84 1lo8 s ARG 10 CO -0.10 0.25 0.79 0.42 -0.81 0.00 0.00 175.30 175.85 1lo8 s ILE 11 N 0.32 4.84 0.27 4.11 1.01 -0.54 -4.97 121.20 126.23 1lo8 s ILE 11 Ca 0.26 1.67 0.06 0.00 0.00 0.00 0.00 60.65 62.64 1lo8 s ILE 11 Cb -0.16 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 1lo8 s ILE 11 CO 0.11 0.29 0.34 -1.61 0.00 0.00 0.00 174.94 174.07 1lo8 s GLU 12 N 0.38 3.19 0.26 2.79 0.41 -1.26 -0.86 118.70 123.61 1lo8 s GLU 12 Ca 0.41 -0.93 -0.03 0.00 -0.41 0.00 0.00 54.97 54.01 1lo8 s GLU 12 Cb -0.20 -2.76 0.40 0.00 -1.78 0.00 0.00 34.13 29.79 1lo8 s GLU 12 CO 0.23 0.32 1.88 0.35 -0.49 0.00 0.00 175.26 177.55 1lo8 h PHE 13 N 1.20 1.21 0.00 1.61 3.57 -1.96 -0.98 116.94 121.58 1lo8 h PHE 13 Ca -0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1lo8 h PHE 13 Cb 1.24 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1lo8 h PHE 13 CO 0.48 0.63 0.00 0.41 -2.23 0.00 0.00 178.31 177.60 1lo8 n GLY 14 N -1.36 -1.23 0.01 2.40 0.00 -1.26 -2.10 105.19 101.65 1lo8 n GLY 14 Ca 0.15 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.38 1lo8 n GLY 14 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lo8 n ASP 15 N -2.12 0.05 -4.95 1.61 8.00 -0.37 -4.85 116.55 113.92 1lo8 n ASP 15 Ca 0.02 0.20 -0.26 0.00 0.71 0.00 0.00 54.79 55.46 1lo8 n ASP 15 Cb 0.22 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 1lo8 n ASP 15 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lo8 n ASP 17 N -0.70 1.42 0.31 0.00 5.68 -0.00 -4.75 116.55 118.51 1lo8 n ASP 17 Ca -0.07 -2.00 0.18 0.00 -0.50 0.00 0.00 54.79 52.40 1lo8 n ASP 17 Cb 0.54 -0.25 0.99 0.00 -1.14 0.00 0.00 41.12 41.27 1lo8 n ASP 17 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 1lo8 h PRO 18 N 0.00 0.00 0.00 0.11 0.11 -2.00 0.83 132.00 131.06 1lo8 h PRO 18 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1lo8 h PRO 18 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1lo8 h PRO 18 CO 0.26 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.07 1lo8 n ALA 19 N -2.19 2.33 -0.81 -0.75 0.00 -1.26 -4.86 120.51 112.97 1lo8 n ALA 19 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1lo8 n ALA 19 Cb 0.13 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1lo8 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lo8 n GLY 20 N 0.58 0.76 3.58 0.00 0.00 0.29 -5.03 105.19 105.36 1lo8 n GLY 20 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1lo8 n GLY 20 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1lo8 s ILE 21 N -2.84 1.92 0.11 -0.61 -4.36 -1.26 -4.67 121.20 109.49 1lo8 s ILE 21 Ca 0.00 -2.04 -0.34 0.00 -0.26 0.00 0.00 60.65 58.02 1lo8 s ILE 21 Cb 0.00 -2.90 -0.13 0.00 1.25 0.00 0.00 42.46 40.68 1lo8 s ILE 21 CO 0.00 -0.04 1.65 0.52 0.24 0.00 0.00 174.94 177.30 1lo8 n VAL 22 N -0.89 0.13 -2.51 8.37 0.31 -0.07 -0.82 118.33 122.84 1lo8 n VAL 22 Ca -0.05 -0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 63.83 1lo8 n VAL 22 Cb 0.66 -1.62 -0.02 0.00 -0.91 0.00 0.00 33.84 31.95 1lo8 n VAL 22 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1lo8 s TRP 23 N 1.59 3.17 0.28 3.52 -0.00 -0.28 -4.78 118.94 122.45 1lo8 s TRP 23 Ca 0.82 1.26 -0.04 0.00 -0.00 0.00 0.00 56.10 58.13 1lo8 s TRP 23 Cb -0.68 -3.38 0.56 0.00 -0.00 0.00 0.00 33.47 29.97 1lo8 s TRP 23 CO 0.41 -1.12 1.59 0.10 -0.00 0.00 0.00 176.95 177.92 1lo8 h TYR 24 N 7.59 -0.18 0.00 5.86 -0.00 -1.90 1.00 116.97 129.34 1lo8 h TYR 24 Ca -0.30 0.07 0.00 0.00 0.00 0.00 0.00 58.73 58.50 1lo8 h TYR 24 Cb 1.13 0.22 0.00 0.00 0.00 0.00 0.00 36.73 38.08 1lo8 h TYR 24 CO 0.75 -0.37 0.00 -2.30 -0.00 0.00 0.00 178.16 176.24 1lo8 n PRO 25 N -5.48 0.09 0.02 0.10 -0.02 -1.26 0.52 135.00 128.97 1lo8 n PRO 25 Ca 0.18 0.59 -0.07 0.00 -2.02 0.00 0.00 63.50 62.18 1lo8 n PRO 25 Cb 0.59 -1.81 0.11 0.00 -0.02 0.00 0.00 33.50 32.37 1lo8 n PRO 25 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1lo8 h ASN 26 N 0.00 0.53 -0.67 2.55 2.35 -1.13 -2.63 115.58 116.57 1lo8 h ASN 26 Ca 0.00 -0.25 0.04 0.00 -0.55 0.00 0.00 56.30 55.54 1lo8 h ASN 26 Cb 0.00 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.18 1lo8 h ASN 26 CO 0.00 0.91 0.40 1.88 -1.65 0.00 0.00 177.43 178.97 1lo8 h TYR 27 N 0.39 0.74 -0.06 1.19 0.05 -0.06 -1.34 116.97 117.89 1lo8 h TYR 27 Ca 0.02 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1lo8 h TYR 27 Cb 0.96 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 38.46 1lo8 h TYR 27 CO 0.03 0.40 -0.01 0.45 -1.05 0.00 0.00 178.16 177.99 1lo8 h HIS 28 N 0.77 0.07 -0.28 4.88 3.86 -1.46 0.10 115.15 123.09 1lo8 h HIS 28 Ca 0.28 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.44 1lo8 h HIS 28 Cb 0.08 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1lo8 h HIS 28 CO -0.06 0.09 -0.01 0.00 0.86 0.00 0.00 177.93 178.81 1lo8 h ARG 29 N 0.08 0.50 -0.50 2.45 3.08 -1.06 -0.54 114.38 118.39 1lo8 h ARG 29 Ca 0.02 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 59.77 1lo8 h ARG 29 Cb 0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1lo8 h ARG 29 CO 0.00 0.67 -0.20 -1.49 -1.07 0.00 0.00 179.97 177.88 1lo8 h TRP 30 N 0.29 1.15 -0.47 3.04 6.55 -0.62 -1.45 115.95 124.44 1lo8 h TRP 30 Ca 0.08 -0.27 -0.04 0.00 0.95 0.00 0.00 58.89 59.61 1lo8 h TRP 30 Cb 0.45 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.45 1lo8 h TRP 30 CO 0.04 1.10 0.13 -0.07 -1.05 0.00 0.00 178.44 178.59 1lo8 h LEU 31 N 0.87 0.65 -0.72 -4.49 3.38 -0.71 0.35 115.31 114.64 1lo8 h LEU 31 Ca 0.12 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1lo8 h LEU 31 Cb 0.78 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1lo8 h LEU 31 CO 0.06 0.63 -0.36 -0.78 0.09 0.00 0.00 178.44 178.09 1lo8 h ASP 32 N 0.69 0.60 -0.13 -0.43 3.58 -0.70 0.92 116.42 120.95 1lo8 h ASP 32 Ca 0.16 -0.25 -0.15 0.00 0.42 0.00 0.00 57.03 57.21 1lo8 h ASP 32 Cb 0.23 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1lo8 h ASP 32 CO -0.01 0.91 -0.44 0.00 -2.88 0.00 0.00 179.24 176.82 1lo8 h ALA 33 N 1.13 0.72 -0.05 -0.78 0.00 -0.63 -2.63 119.26 117.02 1lo8 h ALA 33 Ca 0.05 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 1lo8 h ALA 33 Cb 0.85 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1lo8 h ALA 33 CO 0.07 0.67 -0.43 0.00 0.00 0.00 0.00 179.25 179.56 1lo8 h ALA 34 N 0.96 1.19 0.04 0.00 0.00 -0.06 0.13 119.26 121.52 1lo8 h ALA 34 Ca 0.04 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1lo8 h ALA 34 Cb 0.99 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1lo8 h ALA 34 CO 0.09 0.57 -0.02 1.03 0.00 0.00 0.00 179.25 180.93 1lo8 h SER 35 N 0.09 -0.04 -0.25 0.00 0.87 -0.61 -1.80 113.55 111.81 1lo8 h SER 35 Ca 0.01 -0.21 -0.18 0.00 -1.23 0.00 0.00 61.79 60.18 1lo8 h SER 35 Cb 0.81 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1lo8 h SER 35 CO 0.06 0.19 -0.54 -0.09 -0.53 0.00 0.00 176.83 175.92 1lo8 h ARG 36 N -0.28 0.80 -0.85 2.24 2.43 -1.36 -3.07 114.38 114.30 1lo8 h ARG 36 Ca -0.01 -0.53 0.15 0.00 -0.81 0.00 0.00 59.98 58.79 1lo8 h ARG 36 Cb 0.25 0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 29.78 1lo8 h ARG 36 CO 0.01 1.16 0.43 -0.97 -1.51 0.00 0.00 179.97 179.09 1lo8 h ASN 37 N 0.55 0.50 -0.36 -3.80 -1.24 -0.71 0.11 115.58 110.65 1lo8 h ASN 37 Ca 0.00 0.10 0.06 0.00 0.71 0.00 0.00 56.30 57.17 1lo8 h ASN 37 Cb 1.15 0.02 -0.05 0.00 0.73 0.00 0.00 38.32 40.17 1lo8 h ASN 37 CO 0.12 0.20 0.04 0.22 -1.29 0.00 0.00 177.43 176.71 1lo8 h TYR 38 N 0.60 0.05 -0.41 0.67 3.20 -1.23 0.36 116.97 120.22 1lo8 h TYR 38 Ca 0.47 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.30 1lo8 h TYR 38 Cb 0.69 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 1lo8 h TYR 38 CO -0.10 -0.02 0.02 0.74 -1.64 0.00 0.00 178.16 177.15 1lo8 h PHE 39 N 0.15 0.77 0.92 -3.82 0.04 -1.19 -1.35 116.94 112.47 1lo8 h PHE 39 Ca 0.17 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 1lo8 h PHE 39 Cb 0.22 -0.20 0.01 0.00 2.20 0.00 0.00 35.95 38.17 1lo8 h PHE 39 CO -0.22 0.77 -0.47 0.82 -0.60 0.00 0.00 178.31 178.62 1lo8 h ILE 40 N 0.55 0.04 0.00 -0.55 1.08 -0.40 -1.56 117.51 116.67 1lo8 h ILE 40 Ca 0.12 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.59 1lo8 h ILE 40 Cb 0.45 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.25 1lo8 h ILE 40 CO 0.02 0.00 0.29 0.11 -0.69 0.00 0.00 178.15 177.87 1lo8 h LYS 41 N -1.27 0.00 -0.07 2.37 1.79 -0.21 1.03 116.57 120.21 1lo8 h LYS 41 Ca -0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1lo8 h LYS 41 Cb 0.99 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1lo8 h LYS 41 CO 0.19 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.56 1lo8 n GLY 43 N 1.28 0.52 3.77 0.00 0.00 0.35 -4.53 105.19 106.58 1lo8 n GLY 43 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1lo8 n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lo8 s LEU 44 N 0.00 3.25 0.71 0.99 1.02 -0.66 -4.99 118.68 119.00 1lo8 s LEU 44 Ca 0.00 1.93 -0.11 0.00 0.02 0.00 0.00 54.13 55.97 1lo8 s LEU 44 Cb 0.00 -4.54 0.02 0.00 0.02 0.00 0.00 46.19 41.69 1lo8 s LEU 44 CO 0.00 -1.79 1.07 -2.84 0.02 0.00 0.00 176.35 172.81 1lo8 s PRO 45 N -4.41 2.81 0.59 1.29 0.02 -1.26 -4.51 135.00 129.53 1lo8 s PRO 45 Ca 0.65 0.75 -0.18 0.00 0.02 0.00 0.00 61.00 62.24 1lo8 s PRO 45 Cb -0.19 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.30 1lo8 s PRO 45 CO 0.47 -1.14 1.13 -1.25 -0.33 0.00 0.00 177.00 175.89 1lo8 s PRO 46 N -5.15 3.10 0.27 5.54 0.04 -1.26 -4.71 135.00 132.82 1lo8 s PRO 46 Ca 0.58 1.56 -0.00 0.00 0.04 0.00 0.00 61.00 63.18 1lo8 s PRO 46 Cb -0.13 -1.97 0.61 0.00 0.04 0.00 0.00 34.50 33.04 1lo8 s PRO 46 CO 0.54 -1.05 1.69 -1.49 0.04 0.00 0.00 177.00 176.74 1lo8 h TRP 47 N 0.73 0.49 -0.94 0.56 -0.00 -1.89 0.22 115.95 115.12 1lo8 h TRP 47 Ca -0.49 0.04 0.26 0.00 -0.00 0.00 0.00 58.89 58.71 1lo8 h TRP 47 Cb 1.26 -0.09 -0.17 0.00 -0.00 0.00 0.00 29.16 30.17 1lo8 h TRP 47 CO 0.52 -0.06 0.12 -0.09 -0.00 0.00 0.00 178.44 178.93 1lo8 h ARG 48 N 0.35 0.06 0.13 0.49 2.43 -1.90 0.33 114.38 116.28 1lo8 h ARG 48 Ca 0.50 -0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.47 1lo8 h ARG 48 Cb 0.90 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.45 1lo8 h ARG 48 CO -0.52 0.04 -0.89 0.37 -1.51 0.00 0.00 179.97 177.46 1lo8 h GLN 49 N 0.06 0.28 0.00 0.20 4.15 -0.95 -3.31 115.11 115.55 1lo8 h GLN 49 Ca 0.59 -0.49 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 1lo8 h GLN 49 Cb 1.24 0.18 -0.00 0.00 0.21 0.00 0.00 27.48 29.11 1lo8 h GLN 49 CO -0.82 1.23 -0.04 1.79 -1.93 0.00 0.00 178.83 179.07 1lo8 h THR 50 N -0.38 0.70 0.00 2.39 1.35 -0.15 0.43 112.91 117.25 1lo8 h THR 50 Ca -0.17 -0.14 -0.10 0.00 -0.55 0.00 0.00 66.41 65.45 1lo8 h THR 50 Cb 1.65 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 1lo8 h THR 50 CO 0.13 0.03 -0.48 1.62 -0.25 0.00 0.00 175.52 176.58 1lo8 h VAL 51 N 0.00 1.12 0.01 6.82 3.04 0.67 0.27 116.25 128.18 1lo8 h VAL 51 Ca -0.00 -1.79 -0.00 0.00 -1.01 0.00 0.00 66.70 63.90 1lo8 h VAL 51 Cb 0.08 2.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1lo8 h VAL 51 CO 0.00 0.47 -0.00 0.58 -1.01 0.00 0.00 177.57 177.61 1lo8 h VAL 52 N 0.00 1.52 -0.20 1.51 2.07 -1.08 -2.68 116.25 117.40 1lo8 h VAL 52 Ca -0.00 -2.03 -0.06 0.00 0.82 0.00 0.00 66.70 65.42 1lo8 h VAL 52 Cb 0.99 2.82 -0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1lo8 h VAL 52 CO 0.06 0.50 -0.13 1.05 0.02 0.00 0.00 177.57 179.07 1lo8 h GLU 53 N -0.94 0.44 0.00 1.57 4.11 -1.12 -3.40 114.58 115.23 1lo8 h GLU 53 Ca -0.00 -0.21 0.00 0.00 0.07 0.00 0.00 59.36 59.22 1lo8 h GLU 53 Cb 0.82 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1lo8 h GLU 53 CO 0.00 0.75 0.00 2.89 0.07 0.00 0.00 179.01 182.72 1lo8 n ARG 54 N -4.53 0.84 -0.18 1.06 1.85 0.81 -5.01 116.66 111.51 1lo8 n ARG 54 Ca -0.05 -0.74 0.00 0.00 -1.00 0.00 0.00 57.85 56.06 1lo8 n ARG 54 Cb 0.35 -0.69 0.00 0.00 -1.05 0.00 0.00 32.46 31.07 1lo8 n ARG 54 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1lo8 n GLY 55 N -0.15 2.10 3.61 2.89 0.00 -0.40 -4.95 105.19 108.29 1lo8 n GLY 55 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1lo8 n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lo8 s ILE 56 N -2.98 3.63 -0.81 -0.61 1.01 -0.87 -4.21 121.20 116.35 1lo8 s ILE 56 Ca 0.00 0.66 0.25 0.00 0.00 0.00 0.00 60.65 61.55 1lo8 s ILE 56 Cb 0.00 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.70 1lo8 s ILE 56 CO 0.00 -0.46 1.34 1.33 0.00 0.00 0.00 174.94 177.15 1lo8 n VAL 57 N 7.10 0.17 -1.84 2.92 0.24 -0.21 -1.54 118.33 125.16 1lo8 n VAL 57 Ca 0.20 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1lo8 n VAL 57 Cb 0.47 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 1lo8 n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1lo8 n GLY 58 N 1.42 0.27 2.56 7.63 0.00 -1.25 -4.87 105.19 110.95 1lo8 n GLY 58 Ca 0.04 -1.54 -0.27 0.00 0.00 0.00 0.00 46.02 44.26 1lo8 n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1lo8 n THR 59 N 9.00 0.66 -1.61 2.61 -2.24 -1.26 -1.99 114.28 119.45 1lo8 n THR 59 Ca 0.00 -4.42 -0.37 0.00 -2.27 0.00 0.00 64.05 56.99 1lo8 n THR 59 Cb 0.00 -1.99 0.07 0.00 -2.10 0.00 0.00 70.33 66.31 1lo8 n THR 59 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1lo8 n PRO 60 N 1.89 0.90 -3.33 -0.78 -0.04 -1.11 -4.51 135.00 128.03 1lo8 n PRO 60 Ca 0.25 0.36 -0.37 0.00 -0.04 0.00 0.00 63.50 63.70 1lo8 n PRO 60 Cb 0.42 -2.37 -0.06 0.00 -0.04 0.00 0.00 33.50 31.45 1lo8 n PRO 60 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1lo8 s ILE 61 N -1.52 4.81 -0.02 0.52 2.07 -1.26 -2.19 121.20 123.60 1lo8 s ILE 61 Ca 0.79 1.04 0.04 0.00 -1.41 0.00 0.00 60.65 61.11 1lo8 s ILE 61 Cb -0.38 -3.82 -0.06 0.00 0.13 0.00 0.00 42.46 38.33 1lo8 s ILE 61 CO 0.44 0.44 0.06 1.33 -1.91 0.00 0.00 174.94 175.29 1lo8 n VAL 62 N 1.38 0.12 -3.54 4.00 0.24 0.26 -4.98 118.33 115.81 1lo8 n VAL 62 Ca -0.09 -0.13 -0.16 0.00 -2.04 0.00 0.00 64.34 61.92 1lo8 n VAL 62 Cb 0.51 -0.18 -0.06 0.00 -1.47 0.00 0.00 33.84 32.65 1lo8 n VAL 62 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1lo8 s SER 63 N -2.93 -0.57 -0.14 -1.34 0.15 -0.90 -4.99 113.70 102.99 1lo8 s SER 63 Ca -0.02 0.49 -0.18 0.00 0.70 0.00 0.00 55.95 56.94 1lo8 s SER 63 Cb 0.02 0.52 0.05 0.00 -1.71 0.00 0.00 66.02 64.89 1lo8 s SER 63 CO 0.17 -0.65 0.47 0.00 1.20 0.00 0.00 173.24 174.43 1lo8 s ASN 65 N -0.17 1.96 0.07 0.00 0.01 -0.68 -4.99 114.94 111.15 1lo8 s ASN 65 Ca -0.03 -0.27 0.02 0.00 -0.71 0.00 0.00 52.86 51.87 1lo8 s ASN 65 Cb -0.03 -0.77 -0.03 0.00 0.41 0.00 0.00 41.25 40.82 1lo8 s ASN 65 CO 0.02 -0.09 -0.08 0.00 -1.51 0.00 0.00 177.10 175.44 1lo8 s ALA 66 N 1.49 0.84 -0.01 0.60 0.00 -1.26 -1.12 121.76 122.29 1lo8 s ALA 66 Ca 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.89 1lo8 s ALA 66 Cb -0.13 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1lo8 s ALA 66 CO -0.05 -0.11 -0.01 -1.54 0.00 0.00 0.00 175.76 174.05 1lo8 s SER 67 N -2.33 0.29 -0.38 0.00 1.04 -0.64 -5.01 113.70 106.66 1lo8 s SER 67 Ca 0.02 -0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.36 1lo8 s SER 67 Cb -0.02 -0.10 0.08 0.00 0.10 0.00 0.00 66.02 66.07 1lo8 s SER 67 CO -0.02 -0.03 0.18 -0.36 0.98 0.00 0.00 173.24 173.99 1lo8 s PHE 68 N 0.45 3.37 -0.05 5.02 0.40 -1.26 -2.08 117.98 123.83 1lo8 s PHE 68 Ca -0.04 -1.78 -0.18 0.00 -0.60 0.00 0.00 56.93 54.33 1lo8 s PHE 68 Cb -0.07 -2.78 -0.31 0.00 0.51 0.00 0.00 43.02 40.37 1lo8 s PHE 68 CO -0.01 -0.85 0.79 0.28 0.70 0.00 0.00 175.22 176.13 1lo8 h VAL 69 N 6.22 1.29 -4.08 -0.44 2.07 -0.30 -3.49 116.25 117.53 1lo8 h VAL 69 Ca -0.20 -2.52 -0.14 0.00 0.82 0.00 0.00 66.70 64.66 1lo8 h VAL 69 Cb 1.07 3.00 -0.12 0.00 -1.52 0.00 0.00 31.29 33.72 1lo8 h VAL 69 CO 0.68 0.74 -0.37 0.00 0.02 0.00 0.00 177.57 178.64 1lo8 s THR 71 N -4.06 4.09 0.05 0.00 -4.23 -1.26 -4.75 115.64 105.48 1lo8 s THR 71 Ca 0.27 0.09 -0.00 0.00 -1.18 0.00 0.00 61.69 60.87 1lo8 s THR 71 Cb 0.03 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.24 1lo8 s THR 71 CO 0.08 -0.61 -0.04 0.00 -0.54 0.00 0.00 174.62 173.51 1lo8 s ALA 72 N -2.91 0.53 0.28 3.99 0.00 -1.26 -5.01 121.76 117.38 1lo8 s ALA 72 Ca 0.52 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 1lo8 s ALA 72 Cb -0.10 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 1lo8 s ALA 72 CO 0.45 -0.32 0.38 0.45 0.00 0.00 0.00 175.76 176.71 1lo8 s SER 73 N -2.76 0.56 0.28 0.00 0.15 -1.26 -0.89 113.70 109.78 1lo8 s SER 73 Ca 0.05 -1.35 -0.30 0.00 0.70 0.00 0.00 55.95 55.05 1lo8 s SER 73 Cb 0.05 0.57 -0.13 0.00 -1.71 0.00 0.00 66.02 64.80 1lo8 s SER 73 CO -0.08 -1.13 1.40 0.00 1.20 0.00 0.00 173.24 174.63 1lo8 n TYR 74 N -0.45 2.33 0.00 3.44 4.11 -1.26 -1.37 117.16 123.95 1lo8 n TYR 74 Ca 0.01 0.44 0.00 0.00 -0.00 0.00 0.00 57.90 58.35 1lo8 n TYR 74 Cb 0.63 -2.47 0.00 0.00 -0.00 0.00 0.00 39.34 37.50 1lo8 n TYR 74 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 1lo8 n ASP 75 N 1.68 0.00 -4.73 9.48 8.00 -0.04 -4.98 116.55 125.96 1lo8 n ASP 75 Ca 0.09 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.21 1lo8 n ASP 75 Cb 0.34 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.50 1lo8 n ASP 75 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1lo8 n ASP 76 N 0.37 2.31 -4.22 -2.24 8.00 -0.47 -4.70 116.55 115.60 1lo8 n ASP 76 Ca 0.00 0.89 -0.34 0.00 0.71 0.00 0.00 54.79 56.05 1lo8 n ASP 76 Cb 0.00 -1.56 -0.15 0.00 -0.02 0.00 0.00 41.12 39.39 1lo8 n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1lo8 s VAL 77 N -1.35 2.61 0.14 2.53 1.01 -1.26 -1.47 120.40 122.61 1lo8 s VAL 77 Ca 0.78 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 1lo8 s VAL 77 Cb -0.40 -2.13 -0.07 0.00 0.00 0.00 0.00 36.38 33.79 1lo8 s VAL 77 CO 0.44 0.50 0.55 -0.76 0.00 0.00 0.00 175.10 175.83 1lo8 s LEU 78 N 1.20 4.36 -0.16 3.92 1.43 0.24 -4.32 118.68 125.35 1lo8 s LEU 78 Ca 0.02 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 1lo8 s LEU 78 Cb -0.14 -3.22 0.01 0.00 0.03 0.00 0.00 46.19 42.87 1lo8 s LEU 78 CO -0.06 0.12 -0.19 -0.89 0.23 0.00 0.00 176.35 175.56 1lo8 s THR 79 N -1.42 2.21 -0.10 5.49 2.01 0.04 -0.26 115.64 123.61 1lo8 s THR 79 Ca 0.37 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1lo8 s THR 79 Cb -0.15 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 1lo8 s THR 79 CO 0.19 0.53 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.90 1lo8 s ILE 80 N 1.06 3.14 -0.20 1.82 1.01 0.18 -1.10 121.20 127.10 1lo8 s ILE 80 Ca -0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 1lo8 s ILE 80 Cb -0.14 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.05 1lo8 s ILE 80 CO -0.07 0.55 -0.13 -0.70 0.00 0.00 0.00 174.94 174.59 1lo8 s GLU 81 N -0.14 3.10 -0.02 2.79 2.12 0.49 -0.44 118.70 126.61 1lo8 s GLU 81 Ca -0.01 -0.78 0.06 0.00 0.36 0.00 0.00 54.97 54.60 1lo8 s GLU 81 Cb -0.13 -2.76 -0.01 0.00 0.26 0.00 0.00 34.13 31.48 1lo8 s GLU 81 CO 0.03 -0.22 -0.19 0.99 -0.54 0.00 0.00 175.26 175.33 1lo8 s THR 82 N 1.36 1.49 0.16 -1.70 2.01 -0.29 -0.42 115.64 118.25 1lo8 s THR 82 Ca 0.05 -0.80 -0.12 0.00 0.31 0.00 0.00 61.69 61.12 1lo8 s THR 82 Cb -0.14 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.13 1lo8 s THR 82 CO -0.09 0.42 0.36 0.00 -0.69 0.00 0.00 174.62 174.62 1lo8 s ILE 84 N -3.91 5.20 -0.12 0.00 -1.09 -1.26 -0.88 121.20 119.15 1lo8 s ILE 84 Ca 0.12 0.51 0.15 0.00 -2.23 0.00 0.00 60.65 59.19 1lo8 s ILE 84 Cb 0.02 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 1lo8 s ILE 84 CO -0.04 0.18 1.20 0.50 -1.23 0.00 0.00 174.94 175.55 1lo8 h LYS 85 N 8.16 0.00 -1.69 2.79 3.64 -0.14 -3.41 116.57 125.92 1lo8 h LYS 85 Ca -0.32 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.11 1lo8 h LYS 85 Cb 1.17 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.74 1lo8 h LYS 85 CO 0.63 0.47 0.34 -2.00 -2.27 0.00 0.00 179.45 176.62 1lo8 s GLU 86 N -2.92 0.54 -0.07 1.90 2.12 -1.20 -4.98 118.70 114.10 1lo8 s GLU 86 Ca 0.01 0.75 -0.08 0.00 0.36 0.00 0.00 54.97 56.01 1lo8 s GLU 86 Cb 0.08 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.63 1lo8 s GLU 86 CO 0.78 -0.08 0.21 -1.58 -0.54 0.00 0.00 175.26 174.05 1lo8 s TRP 87 N 0.74 3.61 0.00 5.30 0.52 -1.26 -1.16 118.94 126.69 1lo8 s TRP 87 Ca -0.02 0.60 0.00 0.00 0.02 0.00 0.00 56.10 56.70 1lo8 s TRP 87 Cb -0.05 -2.00 0.00 0.00 -1.15 0.00 0.00 33.47 30.27 1lo8 s TRP 87 CO -0.09 0.69 0.00 0.54 0.02 0.00 0.00 176.95 178.11 1lo8 n ARG 88 N 1.70 2.41 0.16 4.98 1.74 -0.38 -4.99 116.66 122.28 1lo8 n ARG 88 Ca -0.16 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.85 1lo8 n ARG 88 Cb 0.54 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.95 1lo8 n ARG 88 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1lo8 h ARG 89 N 0.00 -0.40 -0.20 5.56 2.43 -1.99 -3.38 114.38 116.40 1lo8 h ARG 89 Ca 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1lo8 h ARG 89 Cb 0.00 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1lo8 h ARG 89 CO 0.00 -0.27 0.00 1.63 -1.51 0.00 0.00 179.97 179.82 1lo8 n LYS 90 N -3.53 2.85 -4.32 0.20 5.02 -1.26 -2.38 118.16 114.74 1lo8 n LYS 90 Ca -0.05 -1.80 -0.19 0.00 -2.02 0.00 0.00 58.31 54.25 1lo8 n LYS 90 Cb 0.16 -1.16 -0.09 0.00 -0.02 0.00 0.00 35.03 33.93 1lo8 n LYS 90 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1lo8 s SER 91 N -0.99 1.51 -0.08 4.39 1.04 -1.26 -4.34 113.70 113.98 1lo8 s SER 91 Ca 0.13 -1.62 -0.26 0.00 0.48 0.00 0.00 55.95 54.68 1lo8 s SER 91 Cb 0.07 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.71 1lo8 s SER 91 CO 0.09 -0.95 0.60 0.72 0.98 0.00 0.00 173.24 174.69 1lo8 s PHE 92 N -3.59 -0.58 -0.32 5.02 -0.71 -0.42 -1.25 117.98 116.14 1lo8 s PHE 92 Ca 0.37 1.08 -0.10 0.00 -1.04 0.00 0.00 56.93 57.24 1lo8 s PHE 92 Cb 0.04 0.32 -0.01 0.00 -1.21 0.00 0.00 43.02 42.16 1lo8 s PHE 92 CO 0.20 -0.52 0.17 0.08 -1.34 0.00 0.00 175.22 173.81 1lo8 s VAL 93 N -0.94 4.71 -0.21 -2.49 1.01 -0.31 -1.56 120.40 120.62 1lo8 s VAL 93 Ca -0.09 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 1lo8 s VAL 93 Cb -0.02 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1lo8 s VAL 93 CO 0.07 0.05 0.09 -1.58 0.00 0.00 0.00 175.10 173.73 1lo8 s GLN 94 N 1.63 3.93 -0.12 2.72 0.74 0.19 0.65 119.66 129.40 1lo8 s GLN 94 Ca 0.05 -0.36 -0.04 0.00 0.05 0.00 0.00 55.36 55.06 1lo8 s GLN 94 Cb -0.17 -3.31 -0.03 0.00 1.10 0.00 0.00 33.01 30.59 1lo8 s GLN 94 CO 0.07 0.13 0.02 0.50 -0.55 0.00 0.00 175.29 175.46 1lo8 s ARG 95 N 0.80 3.32 -0.01 1.67 3.52 -0.06 0.96 118.95 129.16 1lo8 s ARG 95 Ca 0.05 -0.38 0.04 0.00 -0.13 0.00 0.00 55.73 55.30 1lo8 s ARG 95 Cb -0.13 -2.93 -0.01 0.00 -1.56 0.00 0.00 34.95 30.31 1lo8 s ARG 95 CO 0.02 0.57 -0.12 -1.01 -0.81 0.00 0.00 175.30 173.95 1lo8 s HIS 96 N -0.49 1.04 -0.11 5.12 3.76 0.62 -1.75 115.29 123.48 1lo8 s HIS 96 Ca 0.09 -0.20 0.03 0.00 -0.15 0.00 0.00 55.06 54.83 1lo8 s HIS 96 Cb -0.12 -0.67 0.01 0.00 1.11 0.00 0.00 32.58 32.91 1lo8 s HIS 96 CO 0.02 -0.02 -0.21 0.45 -0.85 0.00 0.00 174.74 174.14 1lo8 s SER 97 N -0.28 2.83 -0.11 1.40 0.15 0.44 -0.88 113.70 117.26 1lo8 s SER 97 Ca 0.04 -0.52 0.03 0.00 0.70 0.00 0.00 55.95 56.20 1lo8 s SER 97 Cb -0.04 -1.30 -0.01 0.00 -1.71 0.00 0.00 66.02 62.96 1lo8 s SER 97 CO -0.00 0.10 -0.19 -0.69 1.20 0.00 0.00 173.24 173.65 1lo8 s VAL 98 N 0.60 2.48 0.22 4.45 1.01 0.21 -0.38 120.40 128.99 1lo8 s VAL 98 Ca -0.14 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 1lo8 s VAL 98 Cb -0.17 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1lo8 s VAL 98 CO 0.04 0.55 0.22 -0.94 0.00 0.00 0.00 175.10 174.97 1lo8 s SER 99 N 0.27 0.23 0.13 3.32 1.04 -0.26 -0.83 113.70 117.60 1lo8 s SER 99 Ca -0.14 -1.32 0.03 0.00 0.48 0.00 0.00 55.95 55.00 1lo8 s SER 99 Cb -0.17 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1lo8 s SER 99 CO 0.07 -0.93 -0.07 0.00 0.98 0.00 0.00 173.24 173.29 1lo8 s ARG 100 N -4.05 0.99 -0.26 4.02 1.70 -0.42 -0.78 118.95 120.15 1lo8 s ARG 100 Ca 0.35 -1.43 -0.03 0.00 -0.47 0.00 0.00 55.73 54.16 1lo8 s ARG 100 Cb 0.05 -0.39 0.02 0.00 -0.57 0.00 0.00 34.95 34.06 1lo8 s ARG 100 CO 0.13 -0.01 -0.03 0.99 -1.08 0.00 0.00 175.30 175.30 1lo8 s THR 101 N -3.51 3.10 1.01 4.99 2.01 -1.26 -1.26 115.64 120.72 1lo8 s THR 101 Ca 0.16 -0.95 -0.14 0.00 0.31 0.00 0.00 61.69 61.08 1lo8 s THR 101 Cb 0.04 -2.58 0.10 0.00 0.01 0.00 0.00 72.50 70.08 1lo8 s THR 101 CO -0.01 0.18 0.51 0.41 -0.69 0.00 0.00 174.62 175.02 1lo8 n THR 102 N 4.71 0.00 0.78 -0.82 -1.04 0.18 -4.81 114.28 113.28 1lo8 n THR 102 Ca -0.16 -0.21 0.10 0.00 -2.04 0.00 0.00 64.05 61.74 1lo8 n THR 102 Cb 0.47 -0.73 0.46 0.00 -1.82 0.00 0.00 70.33 68.71 1lo8 n THR 102 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1lo8 n PRO 103 N -2.64 0.07 0.00 -2.82 -0.02 -1.26 -1.32 135.00 127.01 1lo8 n PRO 103 Ca 0.06 0.13 0.13 0.00 -2.02 0.00 0.00 63.50 61.80 1lo8 n PRO 103 Cb 0.55 -1.50 0.76 0.00 -0.02 0.00 0.00 33.50 33.29 1lo8 n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lo8 n GLY 104 N 0.60 -0.91 1.81 -1.23 0.00 -1.26 -4.80 105.19 99.40 1lo8 n GLY 104 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1lo8 n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lo8 n GLY 105 N 0.73 0.55 3.75 -0.02 0.00 -0.44 -5.02 105.19 104.75 1lo8 n GLY 105 Ca 0.18 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1lo8 n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lo8 s ASP 106 N -2.01 7.38 -0.75 1.61 1.01 -1.24 -4.83 116.67 117.84 1lo8 s ASP 106 Ca 0.00 1.64 -0.15 0.00 0.71 0.00 0.00 52.55 54.75 1lo8 s ASP 106 Cb 0.00 -2.52 0.18 0.00 1.01 0.00 0.00 42.92 41.60 1lo8 s ASP 106 CO 0.00 0.09 0.72 -0.69 0.21 0.00 0.00 175.17 175.50 1lo8 s VAL 107 N -0.58 5.40 0.16 -1.27 1.01 -1.26 0.52 120.40 124.38 1lo8 s VAL 107 Ca 0.39 -2.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.00 1lo8 s VAL 107 Cb -0.23 -4.46 -0.07 0.00 0.00 0.00 0.00 36.38 31.62 1lo8 s VAL 107 CO 0.26 -1.03 1.12 -1.10 0.00 0.00 0.00 175.10 174.35 1lo8 s GLN 108 N 0.86 4.57 -0.08 2.72 -0.21 -0.39 -4.89 119.66 122.23 1lo8 s GLN 108 Ca 0.15 1.73 -0.27 0.00 0.02 0.00 0.00 55.36 56.99 1lo8 s GLN 108 Cb -0.16 -3.29 -0.03 0.00 1.00 0.00 0.00 33.01 30.54 1lo8 s GLN 108 CO -0.05 0.02 0.85 -1.17 -2.12 0.00 0.00 175.29 172.82 1lo8 s LEU 109 N -0.17 4.29 -0.21 2.90 2.96 -1.26 -1.30 118.68 125.89 1lo8 s LEU 109 Ca 0.51 1.37 -0.16 0.00 -0.22 0.00 0.00 54.13 55.63 1lo8 s LEU 109 Cb -0.29 -3.32 -0.09 0.00 0.50 0.00 0.00 46.19 42.99 1lo8 s LEU 109 CO 0.34 -0.27 -0.24 0.52 -1.32 0.00 0.00 176.35 175.38 1lo8 n VAL 110 N 4.14 1.50 -3.86 1.68 0.31 -0.01 -3.89 118.33 118.19 1lo8 n VAL 110 Ca 0.03 -0.03 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1lo8 n VAL 110 Cb 0.50 -2.18 -0.05 0.00 -0.91 0.00 0.00 33.84 31.20 1lo8 n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1lo8 s MET 111 N -2.59 1.30 0.02 5.55 0.00 -0.89 0.43 119.30 123.11 1lo8 s MET 111 Ca -0.29 -1.03 -0.07 0.00 0.00 0.00 0.00 55.69 54.29 1lo8 s MET 111 Cb 0.07 0.45 -0.00 0.00 0.00 0.00 0.00 34.83 35.35 1lo8 s MET 111 CO 0.43 -0.52 0.14 -0.98 0.00 0.00 0.00 175.02 174.09 1lo8 s ARG 112 N -3.93 0.56 -0.20 3.16 1.70 -0.88 0.63 118.95 119.99 1lo8 s ARG 112 Ca 0.14 -0.53 -0.27 0.00 -0.47 0.00 0.00 55.73 54.59 1lo8 s ARG 112 Cb 0.01 0.23 0.08 0.00 -0.57 0.00 0.00 34.95 34.70 1lo8 s ARG 112 CO -0.01 -0.14 0.75 0.00 -1.08 0.00 0.00 175.30 174.82 1lo8 s ALA 113 N -1.94 -1.80 -0.21 7.88 0.00 -0.06 -1.63 121.76 124.00 1lo8 s ALA 113 Ca -0.10 1.78 -0.03 0.00 0.00 0.00 0.00 51.96 53.61 1lo8 s ALA 113 Cb -0.05 -0.83 -0.00 0.00 0.00 0.00 0.00 23.12 22.24 1lo8 s ALA 113 CO -0.01 -0.34 -0.08 -0.51 0.00 0.00 0.00 175.76 174.82 1lo8 s ASP 114 N -0.18 4.02 -0.16 0.00 1.01 -0.28 -0.28 116.67 120.81 1lo8 s ASP 114 Ca -0.03 -0.45 -0.04 0.00 0.71 0.00 0.00 52.55 52.73 1lo8 s ASP 114 Cb -0.03 -1.68 -0.03 0.00 1.01 0.00 0.00 42.92 42.19 1lo8 s ASP 114 CO 0.03 -0.01 -0.01 -1.61 0.21 0.00 0.00 175.17 173.77 1lo8 s GLU 115 N 1.42 3.69 -0.29 8.23 2.02 0.27 -1.69 118.70 132.36 1lo8 s GLU 115 Ca 0.05 -0.47 -0.10 0.00 0.02 0.00 0.00 54.97 54.47 1lo8 s GLU 115 Cb -0.14 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.10 1lo8 s GLU 115 CO -0.05 0.28 0.16 0.42 0.02 0.00 0.00 175.26 176.09 1lo8 s ILE 116 N 0.27 4.86 0.32 -1.63 1.01 -0.02 0.54 121.20 126.54 1lo8 s ILE 116 Ca -0.01 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.50 1lo8 s ILE 116 Cb -0.14 -3.39 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 1lo8 s ILE 116 CO 0.02 0.16 0.07 -0.13 0.00 0.00 0.00 174.94 175.06 1lo8 s ARG 117 N 1.67 1.63 0.05 2.79 0.52 -0.60 -0.57 118.95 124.43 1lo8 s ARG 117 Ca 0.06 -1.90 -0.01 0.00 -0.52 0.00 0.00 55.73 53.36 1lo8 s ARG 117 Cb -0.16 -0.78 -0.04 0.00 0.52 0.00 0.00 34.95 34.49 1lo8 s ARG 117 CO 0.08 -0.21 -0.03 0.14 0.02 0.00 0.00 175.30 175.30 1lo8 s VAL 118 N -3.36 0.20 -0.01 3.52 -7.23 -0.93 -1.30 120.40 111.29 1lo8 s VAL 118 Ca 0.36 -1.65 -0.26 0.00 -1.81 0.00 0.00 61.98 58.61 1lo8 s VAL 118 Cb 0.08 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 1lo8 s VAL 118 CO 0.15 -0.91 0.83 -0.36 -0.31 0.00 0.00 175.10 174.50 1lo8 s PHE 119 N -3.52 3.65 0.12 2.82 0.08 -1.26 -2.73 117.98 117.14 1lo8 s PHE 119 Ca 0.03 1.48 0.03 0.00 0.12 0.00 0.00 56.93 58.59 1lo8 s PHE 119 Cb 0.05 -2.94 -0.04 0.00 -0.57 0.00 0.00 43.02 39.52 1lo8 s PHE 119 CO -0.09 0.09 -0.08 0.00 -0.10 0.00 0.00 175.22 175.04 1lo8 s ALA 120 N 0.69 1.19 0.26 5.36 0.00 -0.84 -0.45 121.76 127.97 1lo8 s ALA 120 Ca 0.43 -1.40 0.10 0.00 0.00 0.00 0.00 51.96 51.09 1lo8 s ALA 120 Cb -0.20 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 1lo8 s ALA 120 CO 0.23 -0.17 -0.16 -1.64 0.00 0.00 0.00 175.76 174.03 1lo8 s MET 121 N -3.75 1.54 -0.37 0.00 -1.94 0.13 -1.04 119.30 113.87 1lo8 s MET 121 Ca 0.14 -1.71 -0.09 0.00 -1.71 0.00 0.00 55.69 52.31 1lo8 s MET 121 Cb 0.04 -1.46 0.04 0.00 2.01 0.00 0.00 34.83 35.45 1lo8 s MET 121 CO -0.02 0.24 0.18 -0.80 -0.01 0.00 0.00 175.02 174.61 1lo8 s ASN 122 N -3.44 5.59 -0.96 3.03 0.01 -1.26 0.15 114.94 118.07 1lo8 s ASN 122 Ca 0.27 -1.11 -0.15 0.00 -0.71 0.00 0.00 52.86 51.17 1lo8 s ASN 122 Cb -0.02 -1.97 0.20 0.00 0.41 0.00 0.00 41.25 39.86 1lo8 s ASN 122 CO 0.12 -0.39 1.03 -1.81 -1.51 0.00 0.00 177.10 174.54 1lo8 s ASP 123 N 1.57 6.86 1.59 -1.22 1.01 0.55 -4.87 116.67 122.16 1lo8 s ASP 123 Ca 0.01 -2.68 0.00 0.00 0.71 0.00 0.00 52.55 50.59 1lo8 s ASP 123 Cb -0.20 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.44 1lo8 s ASP 123 CO 0.05 -0.70 0.00 0.61 0.21 0.00 0.00 175.17 175.34 1lo8 n GLY 124 N 4.25 2.58 0.03 0.21 0.00 -1.26 -1.29 105.19 109.71 1lo8 n GLY 124 Ca 0.22 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 46.03 1lo8 n GLY 124 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lo8 n GLU 125 N 13.40 0.05 -3.51 1.61 1.02 -1.26 -4.75 120.64 127.21 1lo8 n GLU 125 Ca 0.00 0.21 -0.38 0.00 -0.02 0.00 0.00 57.16 56.97 1lo8 n GLU 125 Cb 0.00 -1.58 -0.10 0.00 -0.02 0.00 0.00 31.44 29.74 1lo8 n GLU 125 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1lo8 s ARG 126 N -3.06 4.01 0.13 3.49 0.52 -0.41 -5.08 118.95 118.55 1lo8 s ARG 126 Ca 0.09 -0.14 -0.30 0.00 -0.52 0.00 0.00 55.73 54.85 1lo8 s ARG 126 Cb 0.12 -3.63 -0.07 0.00 0.52 0.00 0.00 34.95 31.88 1lo8 s ARG 126 CO 0.37 -0.18 1.22 -1.17 0.02 0.00 0.00 175.30 175.57 1lo8 s LEU 127 N 1.76 4.41 -0.04 2.53 2.96 -1.26 0.21 118.68 129.24 1lo8 s LEU 127 Ca 0.11 2.16 0.01 0.00 -0.22 0.00 0.00 54.13 56.19 1lo8 s LEU 127 Cb -0.16 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.96 1lo8 s LEU 127 CO 0.10 -0.45 -0.04 -0.60 -1.32 0.00 0.00 176.35 174.04 1lo8 s ARG 128 N 0.46 0.72 0.44 1.98 6.06 0.12 -4.88 118.95 123.85 1lo8 s ARG 128 Ca 0.57 -0.07 -0.22 0.00 -2.50 0.00 0.00 55.73 53.51 1lo8 s ARG 128 Cb -0.32 -0.75 -0.09 0.00 0.06 0.00 0.00 34.95 33.85 1lo8 s ARG 128 CO 0.33 -0.08 1.02 0.00 -2.50 0.00 0.00 175.30 174.07 1lo8 s ALA 129 N 0.89 2.98 0.28 6.12 0.00 -1.26 -0.69 121.76 130.08 1lo8 s ALA 129 Ca -0.11 0.59 0.08 0.00 0.00 0.00 0.00 51.96 52.52 1lo8 s ALA 129 Cb -0.14 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 1lo8 s ALA 129 CO -0.00 -0.18 -0.10 0.96 0.00 0.00 0.00 175.76 176.44 1lo8 s ILE 130 N -1.91 1.91 0.21 0.00 -4.36 0.40 -4.91 121.20 112.53 1lo8 s ILE 130 Ca 0.63 -2.20 -0.32 0.00 -0.26 0.00 0.00 60.65 58.50 1lo8 s ILE 130 Cb -0.17 -2.40 -0.12 0.00 1.25 0.00 0.00 42.46 41.02 1lo8 s ILE 130 CO 0.21 -0.35 1.68 1.21 0.24 0.00 0.00 174.94 177.93 1lo8 n GLU 131 N -0.60 2.62 -1.62 0.37 2.13 -1.26 -4.44 120.64 117.84 1lo8 n GLU 131 Ca -0.06 0.94 -0.53 0.00 0.66 0.00 0.00 57.16 58.18 1lo8 n GLU 131 Cb 0.62 -2.76 -0.06 0.00 0.27 0.00 0.00 31.44 29.51 1lo8 n GLU 131 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1lo8 n VAL 132 N 3.65 0.08 -2.19 6.31 0.31 -1.00 -4.81 118.33 120.69 1lo8 n VAL 132 Ca 0.16 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 64.05 1lo8 n VAL 132 Cb 0.34 -0.96 -0.03 0.00 -0.91 0.00 0.00 33.84 32.28 1lo8 n VAL 132 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1lo8 s PRO 133 N 1.30 4.27 0.30 5.55 0.02 -1.26 -4.89 135.00 140.29 1lo8 s PRO 133 Ca 0.88 2.01 0.05 0.00 0.02 0.00 0.00 61.00 63.95 1lo8 s PRO 133 Cb -0.97 -3.57 0.80 0.00 0.02 0.00 0.00 34.50 30.77 1lo8 s PRO 133 CO 0.51 -0.59 1.66 0.00 -0.33 0.00 0.00 177.00 178.24 1lo8 h ALA 134 N 7.88 1.44 -0.97 -1.55 0.00 -2.00 0.34 119.26 124.39 1lo8 h ALA 134 Ca -0.38 0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1lo8 h ALA 134 Cb 1.18 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 1lo8 h ALA 134 CO 0.91 -0.48 0.64 0.38 0.00 0.00 0.00 179.25 180.70 1lo8 h ASP 135 N 0.26 1.08 -0.36 0.00 2.03 -2.00 -1.67 116.42 115.76 1lo8 h ASP 135 Ca 0.59 -0.02 -0.05 0.00 -0.73 0.00 0.00 57.03 56.83 1lo8 h ASP 135 Cb 1.23 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 39.46 1lo8 h ASP 135 CO -0.63 0.75 0.03 1.88 -1.03 0.00 0.00 179.24 180.24 1lo8 h TYR 136 N 1.26 0.66 -0.63 4.15 0.05 -0.74 -1.52 116.97 120.20 1lo8 h TYR 136 Ca 0.38 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 59.06 1lo8 h TYR 136 Cb -0.04 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.49 1lo8 h TYR 136 CO -0.00 0.69 0.39 0.82 -1.05 0.00 0.00 178.16 179.02 1lo8 h ILE 137 N 0.44 1.17 -0.72 -2.88 2.04 -0.68 -1.36 117.51 115.51 1lo8 h ILE 137 Ca 0.10 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 1lo8 h ILE 137 Cb 0.41 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1lo8 h ILE 137 CO 0.01 0.17 0.24 -0.08 0.00 0.00 0.00 178.15 178.50 1lo8 h GLU 138 N 0.85 1.12 -0.26 2.37 4.22 -1.25 0.22 114.58 121.84 1lo8 h GLU 138 Ca 0.23 -0.23 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 1lo8 h GLU 138 Cb -0.06 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1lo8 h GLU 138 CO -0.05 0.95 0.11 -0.07 -2.18 0.00 0.00 179.01 177.77 1lo8 h LEU 139 N 1.06 0.35 -0.05 1.64 3.38 -0.79 -2.92 115.31 117.98 1lo8 h LEU 139 Ca 0.24 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1lo8 h LEU 139 Cb 0.29 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1lo8 h LEU 139 CO -0.01 0.41 0.00 0.00 0.09 0.00 0.00 178.44 178.93