#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1am7 s VAL 2 N 0.00 4.09 0.36 2.03 1.01 -1.26 -5.01 120.40 121.63 1am7 s VAL 2 Ca 0.00 1.82 -0.25 0.00 0.00 0.00 0.00 61.98 63.54 1am7 s VAL 2 Cb 0.00 -4.16 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 1am7 s VAL 2 CO 0.00 0.32 1.04 -0.70 0.00 0.00 0.00 175.10 175.76 1am7 s GLU 3 N -0.36 4.32 -0.10 2.72 2.12 -1.26 -5.01 118.70 121.13 1am7 s GLU 3 Ca 0.48 1.54 -0.10 0.00 0.36 0.00 0.00 54.97 57.25 1am7 s GLU 3 Cb -0.27 -2.71 -0.05 0.00 0.26 0.00 0.00 34.13 31.36 1am7 s GLU 3 CO 0.33 -0.01 0.22 0.42 -0.54 0.00 0.00 175.26 175.68 1am7 s ILE 4 N -1.55 5.36 0.30 -3.70 1.01 -1.26 -5.00 121.20 116.36 1am7 s ILE 4 Ca 0.54 0.41 0.04 0.00 0.00 0.00 0.00 60.65 61.64 1am7 s ILE 4 Cb -0.24 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1am7 s ILE 4 CO 0.30 0.57 0.21 0.54 0.00 0.00 0.00 174.94 176.56 1am7 s ASN 5 N -0.79 1.37 0.28 3.58 2.20 -1.26 -5.01 114.94 115.32 1am7 s ASN 5 Ca 0.17 -1.63 -0.00 0.00 -0.94 0.00 0.00 52.86 50.45 1am7 s ASN 5 Cb -0.13 0.48 0.48 0.00 -2.00 0.00 0.00 41.25 40.09 1am7 s ASN 5 CO 0.06 -0.97 1.88 -1.13 -2.94 0.00 0.00 177.10 174.00 1am7 h ASN 6 N 2.24 0.97 -0.25 3.54 -1.24 -1.98 -0.09 115.58 118.77 1am7 h ASN 6 Ca -0.30 0.02 -0.06 0.00 0.71 0.00 0.00 56.30 56.67 1am7 h ASN 6 Cb 1.24 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.10 1am7 h ASN 6 CO 0.44 0.59 -0.09 1.56 -1.29 0.00 0.00 177.43 178.65 1am7 h GLN 7 N 1.09 0.51 -0.57 6.67 1.08 -1.90 -1.81 115.11 120.17 1am7 h GLN 7 Ca 0.44 -0.21 -0.09 0.00 -1.45 0.00 0.00 58.65 57.34 1am7 h GLN 7 Cb 0.27 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 1am7 h GLN 7 CO -0.19 0.74 -0.00 0.00 -0.95 0.00 0.00 178.83 178.43 1am7 h ARG 8 N 0.24 0.99 -0.42 1.46 3.08 -1.80 -1.40 114.38 116.53 1am7 h ARG 8 Ca 0.06 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.75 1am7 h ARG 8 Cb 0.57 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1am7 h ARG 8 CO 0.03 0.98 0.05 -0.22 -1.07 0.00 0.00 179.97 179.74 1am7 h LYS 9 N 0.91 0.70 -0.46 0.04 3.64 -1.00 -1.03 116.57 119.37 1am7 h LYS 9 Ca 0.16 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1am7 h LYS 9 Cb 0.53 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1am7 h LYS 9 CO 0.03 0.75 0.23 0.00 -2.27 0.00 0.00 179.45 178.19 1am7 h ALA 10 N 0.92 1.54 -0.37 5.00 0.00 -1.07 -0.76 119.26 124.53 1am7 h ALA 10 Ca 0.12 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1am7 h ALA 10 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1am7 h ALA 10 CO 0.01 0.38 -0.06 0.35 0.00 0.00 0.00 179.25 179.93 1am7 h PHE 11 N 0.64 0.77 -0.63 0.00 3.57 -0.62 -1.41 116.94 119.26 1am7 h PHE 11 Ca 0.16 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1am7 h PHE 11 Cb 0.06 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 1am7 h PHE 11 CO 0.00 0.82 0.27 -0.07 -2.23 0.00 0.00 178.31 177.11 1am7 h LEU 12 N 0.49 0.83 -0.37 0.59 3.38 -0.46 -0.09 115.31 119.69 1am7 h LEU 12 Ca 0.10 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1am7 h LEU 12 Cb 0.56 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1am7 h LEU 12 CO 0.03 0.73 -0.18 0.44 0.09 0.00 0.00 178.44 179.56 1am7 h ASP 13 N 0.91 0.79 -0.51 -0.43 3.32 -0.98 -0.17 116.42 119.34 1am7 h ASP 13 Ca 0.22 -0.40 0.02 0.00 0.02 0.00 0.00 57.03 56.88 1am7 h ASP 13 Cb 0.15 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1am7 h ASP 13 CO -0.02 1.02 0.31 -0.03 -1.72 0.00 0.00 179.24 178.79 1am7 h MET 14 N 0.56 0.59 -0.28 3.56 1.85 -0.92 -2.84 114.93 117.45 1am7 h MET 14 Ca 0.08 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.13 1am7 h MET 14 Cb 0.72 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.60 1am7 h MET 14 CO 0.05 0.39 0.15 1.25 -0.40 0.00 0.00 176.91 178.36 1am7 h LEU 15 N 0.61 0.34 -1.39 3.39 5.85 -0.85 0.16 115.31 123.42 1am7 h LEU 15 Ca 0.20 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1am7 h LEU 15 Cb 0.01 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1am7 h LEU 15 CO -0.09 0.33 0.00 0.00 -0.34 0.00 0.00 178.44 178.34 1am7 n ALA 16 N -2.21 1.22 0.00 1.25 0.00 -0.09 -0.48 120.51 120.20 1am7 n ALA 16 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1am7 n ALA 16 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1am7 n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1am7 n SER 18 N 0.68 0.00 0.00 0.00 2.88 0.54 -1.92 113.62 115.81 1am7 n SER 18 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 1am7 n SER 18 Cb 0.01 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 63.93 1am7 n SER 18 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1am7 n GLU 19 N 0.00 0.12 -1.00 -1.46 -0.58 0.37 -4.83 120.64 113.26 1am7 n GLU 19 Ca 0.00 0.13 -0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1am7 n GLU 19 Cb 0.00 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1am7 n GLU 19 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1am7 n GLY 20 N 0.52 0.45 0.10 0.62 0.00 -1.02 -4.93 105.19 100.93 1am7 n GLY 20 Ca 0.07 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1am7 n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1am7 n THR 21 N -2.99 1.66 -3.50 2.61 -2.24 -0.81 -4.63 114.28 104.38 1am7 n THR 21 Ca -0.00 -0.75 -0.27 0.00 -2.27 0.00 0.00 64.05 60.76 1am7 n THR 21 Cb 0.00 -1.27 -0.10 0.00 -2.10 0.00 0.00 70.33 66.87 1am7 n THR 21 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1am7 n ASP 22 N -3.19 0.95 -0.30 3.42 2.03 -0.89 -3.54 116.55 115.04 1am7 n ASP 22 Ca -0.23 -2.75 0.04 0.00 0.52 0.00 0.00 54.79 52.37 1am7 n ASP 22 Cb 1.05 -0.63 0.05 0.00 -0.72 0.00 0.00 41.12 40.87 1am7 n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1am7 n ASN 23 N 2.20 0.93 0.00 1.67 0.23 -1.26 -4.86 115.26 114.17 1am7 n ASN 23 Ca 0.26 -2.35 0.00 0.00 -0.53 0.00 0.00 54.58 51.95 1am7 n ASN 23 Cb 0.45 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 1am7 n ASN 23 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1am7 n GLY 24 N -0.55 0.32 0.79 4.83 0.00 -1.26 -4.72 105.19 104.60 1am7 n GLY 24 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 1am7 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1am7 n ARG 25 N -1.42 0.14 -1.74 1.61 1.74 -1.26 -5.01 116.66 110.72 1am7 n ARG 25 Ca 0.00 0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 1am7 n ARG 25 Cb 0.13 -0.75 -0.02 0.00 -1.02 0.00 0.00 32.46 30.80 1am7 n ARG 25 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1am7 n GLN 26 N -3.61 2.72 -2.17 5.56 -0.06 -1.26 -4.93 117.38 113.62 1am7 n GLN 26 Ca -0.07 0.97 -0.39 0.00 -2.00 0.00 0.00 57.00 55.51 1am7 n GLN 26 Cb 0.28 -2.77 -0.01 0.00 -4.06 0.00 0.00 30.24 23.68 1am7 n GLN 26 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 1am7 s LYS 27 N -0.04 4.03 -0.14 3.69 2.20 -1.26 -4.79 119.74 123.42 1am7 s LYS 27 Ca 0.67 2.02 -0.30 0.00 -0.36 0.00 0.00 55.97 58.00 1am7 s LYS 27 Cb -0.50 -2.74 0.11 0.00 -1.51 0.00 0.00 37.83 33.19 1am7 s LYS 27 CO 0.44 -0.40 0.91 -0.08 -0.36 0.00 0.00 175.35 175.87 1am7 s THR 28 N -1.32 0.00 -1.98 3.43 -1.32 -1.26 -4.92 115.64 108.27 1am7 s THR 28 Ca 0.56 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 61.22 1am7 s THR 28 Cb -0.35 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 69.73 1am7 s THR 28 CO 0.44 0.00 1.00 0.54 -2.21 0.00 0.00 174.62 174.39 1am7 n ARG 29 N 0.94 1.52 -2.79 7.08 1.74 -1.26 -4.74 116.66 119.15 1am7 n ARG 29 Ca -0.13 -1.31 -0.10 0.00 -0.77 0.00 0.00 57.85 55.54 1am7 n ARG 29 Cb 0.57 -1.32 0.07 0.00 -1.02 0.00 0.00 32.46 30.76 1am7 n ARG 29 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1am7 n ASN 30 N 0.62 -1.78 -3.42 0.55 4.05 -1.26 -5.01 115.26 109.01 1am7 n ASN 30 Ca 0.09 -3.48 -0.25 0.00 0.45 0.00 0.00 54.58 51.40 1am7 n ASN 30 Cb 0.41 1.44 0.00 0.00 1.23 0.00 0.00 39.78 42.87 1am7 n ASN 30 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1am7 n HIS 31 N 0.26 -1.88 -0.03 1.20 8.25 -1.26 -1.19 115.22 120.57 1am7 n HIS 31 Ca 0.08 0.55 0.00 0.00 -0.26 0.00 0.00 57.72 58.09 1am7 n HIS 31 Cb 0.71 -3.31 0.00 0.00 1.12 0.00 0.00 29.99 28.51 1am7 n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1am7 n GLY 32 N -1.30 2.07 0.07 -1.41 0.00 -1.23 -4.55 105.19 98.84 1am7 n GLY 32 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1am7 n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1am7 n TYR 33 N -2.00 0.38 -0.57 1.61 4.01 -0.33 -2.11 117.16 118.15 1am7 n TYR 33 Ca 0.00 0.17 0.06 0.00 -0.16 0.00 0.00 57.90 57.97 1am7 n TYR 33 Cb 0.00 -0.77 0.17 0.00 -0.31 0.00 0.00 39.34 38.43 1am7 n TYR 33 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1am7 n ASP 34 N -1.86 3.08 -4.72 7.72 5.75 -1.26 -4.21 116.55 121.04 1am7 n ASP 34 Ca 0.01 -2.52 -0.38 0.00 -0.01 0.00 0.00 54.79 51.89 1am7 n ASP 34 Cb 0.13 -0.34 -0.06 0.00 -1.03 0.00 0.00 41.12 39.82 1am7 n ASP 34 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1am7 s VAL 35 N -1.92 5.14 -0.01 2.12 1.01 -0.93 -1.42 120.40 124.39 1am7 s VAL 35 Ca 0.28 1.11 -0.02 0.00 0.00 0.00 0.00 61.98 63.36 1am7 s VAL 35 Cb 0.21 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1am7 s VAL 35 CO 0.09 0.30 0.12 -0.63 0.00 0.00 0.00 175.10 174.99 1am7 s ILE 36 N 0.67 5.04 0.15 2.22 1.01 0.35 0.16 121.20 130.79 1am7 s ILE 36 Ca 0.30 -0.29 -0.34 0.00 0.00 0.00 0.00 60.65 60.32 1am7 s ILE 36 Cb -0.16 -3.32 -0.16 0.00 0.01 0.00 0.00 42.46 38.83 1am7 s ILE 36 CO 0.13 0.35 1.27 0.55 0.00 0.00 0.00 174.94 177.23 1am7 n VAL 37 N 1.11 0.56 0.00 2.92 3.14 0.35 -1.00 118.33 125.41 1am7 n VAL 37 Ca -0.12 -0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 1am7 n VAL 37 Cb 0.53 -0.93 0.00 0.00 -1.06 0.00 0.00 33.84 32.37 1am7 n VAL 37 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1am7 n GLY 38 N 2.28 2.72 0.00 7.55 0.00 -1.26 -4.54 105.19 111.94 1am7 n GLY 38 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1am7 n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1am7 n GLY 39 N -0.70 0.98 3.86 -0.02 0.00 -0.17 -5.12 105.19 104.03 1am7 n GLY 39 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1am7 n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1am7 s GLU 40 N -0.27 3.56 0.11 1.61 2.12 -1.23 -4.81 118.70 119.80 1am7 s GLU 40 Ca 0.00 0.78 0.08 0.00 0.36 0.00 0.00 54.97 56.19 1am7 s GLU 40 Cb 0.00 -2.08 -0.04 0.00 0.26 0.00 0.00 34.13 32.27 1am7 s GLU 40 CO 0.00 -0.60 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.46 1am7 s LEU 41 N -5.16 2.83 0.36 2.70 1.43 -1.26 -0.50 118.68 119.09 1am7 s LEU 41 Ca 0.55 -0.49 0.09 0.00 -1.03 0.00 0.00 54.13 53.25 1am7 s LEU 41 Cb -0.11 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.39 1am7 s LEU 41 CO 0.53 0.18 -0.01 0.72 0.23 0.00 0.00 176.35 178.00 1am7 s PHE 42 N -1.17 2.50 0.00 0.29 -0.12 -0.51 -4.95 117.98 114.02 1am7 s PHE 42 Ca 0.19 -0.52 0.00 0.00 -0.05 0.00 0.00 56.93 56.55 1am7 s PHE 42 Cb -0.11 -1.56 0.00 0.00 -0.63 0.00 0.00 43.02 40.72 1am7 s PHE 42 CO 0.12 0.48 0.00 0.25 -0.05 0.00 0.00 175.22 176.01 1am7 n THR 43 N -0.93 0.00 -3.32 -4.49 -2.24 -1.26 -4.81 114.28 97.22 1am7 n THR 43 Ca -0.04 -0.14 -0.40 0.00 -2.27 0.00 0.00 64.05 61.19 1am7 n THR 43 Cb 0.64 0.63 -0.08 0.00 -2.10 0.00 0.00 70.33 69.41 1am7 n THR 43 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1am7 s ASP 44 N -0.94 6.30 -0.02 3.42 2.15 -1.26 -4.95 116.67 121.37 1am7 s ASP 44 Ca 0.00 0.17 0.19 0.00 0.43 0.00 0.00 52.55 53.35 1am7 s ASP 44 Cb 0.00 -2.24 0.58 0.00 -0.30 0.00 0.00 42.92 40.96 1am7 s ASP 44 CO 0.00 -0.31 1.48 -1.22 -0.17 0.00 0.00 175.17 174.95 1am7 n TYR 45 N 5.49 0.93 0.42 -5.34 4.01 -1.26 -4.36 117.16 117.05 1am7 n TYR 45 Ca -0.07 -0.45 0.13 0.00 -0.16 0.00 0.00 57.90 57.36 1am7 n TYR 45 Cb 0.50 -0.03 0.45 0.00 -0.31 0.00 0.00 39.34 39.95 1am7 n TYR 45 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1am7 h SER 46 N 3.75 0.00 -4.98 7.72 4.64 -1.92 0.32 113.55 123.08 1am7 h SER 46 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1am7 h SER 46 Cb 0.93 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.92 1am7 h SER 46 CO 0.03 0.00 0.36 -0.62 -0.87 0.00 0.00 176.83 175.73 1am7 s ASP 47 N -4.94 -0.36 0.35 4.97 2.15 -1.26 -3.80 116.67 113.78 1am7 s ASP 47 Ca 0.06 -0.22 -0.29 0.00 0.43 0.00 0.00 52.55 52.53 1am7 s ASP 47 Cb 0.09 0.54 -0.11 0.00 -0.30 0.00 0.00 42.92 43.14 1am7 s ASP 47 CO 0.53 -0.93 1.53 1.57 -0.17 0.00 0.00 175.17 177.70 1am7 n HIS 48 N -0.38 2.96 0.29 -5.34 -0.00 -1.26 -4.74 115.22 106.75 1am7 n HIS 48 Ca -0.09 0.37 0.14 0.00 -0.00 0.00 0.00 57.72 58.14 1am7 n HIS 48 Cb 0.62 -2.56 0.86 0.00 -0.00 0.00 0.00 29.99 28.91 1am7 n HIS 48 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1am7 h PRO 49 N 3.64 0.00 -3.06 1.57 0.13 -1.94 -3.46 132.00 128.88 1am7 h PRO 49 Ca -0.49 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.28 1am7 h PRO 49 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1am7 h PRO 49 CO 0.70 0.02 -0.45 0.54 -0.23 0.00 0.00 178.00 178.58 1am7 n ARG 50 N -3.86 -1.82 -2.95 0.86 1.74 -1.26 -4.94 116.66 104.43 1am7 n ARG 50 Ca -0.03 0.89 -0.41 0.00 -0.77 0.00 0.00 57.85 57.53 1am7 n ARG 50 Cb 0.11 -5.50 -0.05 0.00 -1.02 0.00 0.00 32.46 26.00 1am7 n ARG 50 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1am7 s LYS 51 N -4.88 4.19 -0.31 5.56 2.20 -1.26 -5.01 119.74 120.23 1am7 s LYS 51 Ca 0.00 0.86 -0.26 0.00 -0.36 0.00 0.00 55.97 56.21 1am7 s LYS 51 Cb 0.00 -3.63 0.01 0.00 -1.51 0.00 0.00 37.83 32.70 1am7 s LYS 51 CO 0.00 -0.45 0.93 -1.17 -0.36 0.00 0.00 175.35 174.30 1am7 s LEU 52 N 2.59 4.02 -0.14 5.43 2.96 -1.26 -4.52 118.68 127.76 1am7 s LEU 52 Ca 0.33 0.86 -0.03 0.00 -0.22 0.00 0.00 54.13 55.07 1am7 s LEU 52 Cb -0.16 -3.31 -0.03 0.00 0.50 0.00 0.00 46.19 43.20 1am7 s LEU 52 CO 0.09 -0.74 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.65 1am7 s VAL 53 N 3.29 3.97 -0.56 1.68 1.01 -0.74 -4.97 120.40 124.07 1am7 s VAL 53 Ca 0.39 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 1am7 s VAL 53 Cb -0.13 -2.72 0.10 0.00 0.00 0.00 0.00 36.38 33.63 1am7 s VAL 53 CO 0.14 0.52 0.64 -0.89 0.00 0.00 0.00 175.10 175.50 1am7 s THR 54 N 0.08 4.92 -0.38 3.92 2.01 -1.26 -2.10 115.64 122.83 1am7 s THR 54 Ca -0.00 -1.02 0.26 0.00 0.31 0.00 0.00 61.69 61.24 1am7 s THR 54 Cb -0.13 -4.42 0.29 0.00 0.01 0.00 0.00 72.50 68.25 1am7 s THR 54 CO 0.03 -1.01 1.78 -0.07 -0.69 0.00 0.00 174.62 174.66 1am7 h LEU 55 N 9.67 0.00 -7.01 4.42 3.38 -0.71 -3.46 115.31 121.60 1am7 h LEU 55 Ca -0.29 0.00 0.33 0.00 0.09 0.00 0.00 57.88 58.01 1am7 h LEU 55 Cb 1.09 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.65 1am7 h LEU 55 CO 1.06 0.00 0.97 0.54 0.09 0.00 0.00 178.44 181.09 1am7 s ASN 56 N -4.75 -0.02 0.37 -0.43 2.20 -1.20 -4.93 114.94 106.17 1am7 s ASN 56 Ca 0.05 -0.00 0.08 0.00 -0.94 0.00 0.00 52.86 52.04 1am7 s ASN 56 Cb 0.09 0.03 0.44 0.00 -2.00 0.00 0.00 41.25 39.81 1am7 s ASN 56 CO 0.48 -0.04 1.10 -0.65 -2.94 0.00 0.00 177.10 175.04 1am7 h PRO 57 N 2.00 0.00 0.00 3.55 0.11 -2.03 -0.92 132.00 134.71 1am7 h PRO 57 Ca -0.07 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 1am7 h PRO 57 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1am7 h PRO 57 CO 0.21 0.00 -0.20 1.63 -0.21 0.00 0.00 178.00 179.43 1am7 n LYS 58 N -2.00 0.81 -3.68 1.05 5.02 -1.26 -5.03 118.16 113.06 1am7 n LYS 58 Ca -0.01 -2.01 -0.15 0.00 -2.02 0.00 0.00 58.31 54.12 1am7 n LYS 58 Cb 0.54 -1.13 -0.14 0.00 -0.02 0.00 0.00 35.03 34.27 1am7 n LYS 58 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1am7 s LEU 59 N -1.82 -0.03 0.11 -0.35 2.96 -0.35 -5.08 118.68 114.12 1am7 s LEU 59 Ca 0.21 0.44 0.07 0.00 -0.22 0.00 0.00 54.13 54.63 1am7 s LEU 59 Cb 0.18 0.47 -0.04 0.00 0.50 0.00 0.00 46.19 47.31 1am7 s LEU 59 CO 0.02 -0.23 -0.18 -0.54 -1.32 0.00 0.00 176.35 174.10 1am7 s LYS 60 N 2.14 1.08 -0.04 1.98 1.02 -1.26 0.11 119.74 124.76 1am7 s LYS 60 Ca 0.00 -1.18 -0.30 0.00 0.02 0.00 0.00 55.97 54.51 1am7 s LYS 60 Cb -0.12 -1.20 0.08 0.00 -0.52 0.00 0.00 37.83 36.07 1am7 s LYS 60 CO -0.07 0.26 0.71 0.45 -0.92 0.00 0.00 175.35 175.78 1am7 s SER 61 N -2.10 -0.62 -0.07 2.83 0.15 -0.89 -4.96 113.70 108.03 1am7 s SER 61 Ca 0.07 0.62 0.11 0.00 0.70 0.00 0.00 55.95 57.46 1am7 s SER 61 Cb -0.08 0.52 0.28 0.00 -1.71 0.00 0.00 66.02 65.03 1am7 s SER 61 CO 0.04 -0.61 1.21 0.35 1.20 0.00 0.00 173.24 175.43 1am7 n THR 62 N 0.78 1.53 -1.64 6.45 -2.24 -1.26 -1.79 114.28 116.09 1am7 n THR 62 Ca -0.18 -1.51 -0.47 0.00 -2.27 0.00 0.00 64.05 59.62 1am7 n THR 62 Cb 0.58 0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.91 1am7 n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1am7 n GLY 63 N -0.44 0.76 3.25 3.38 0.00 -1.26 -4.07 105.19 106.81 1am7 n GLY 63 Ca 0.12 0.59 -0.10 0.00 0.00 0.00 0.00 46.02 46.63 1am7 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1am7 s ALA 64 N 0.37 -0.60 0.00 4.61 0.00 -0.69 -0.50 121.76 124.95 1am7 s ALA 64 Ca 0.75 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1am7 s ALA 64 Cb -0.74 0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1am7 s ALA 64 CO 0.45 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1am7 n GLY 65 N 0.17 -0.42 0.33 0.00 0.00 0.12 -1.17 105.19 104.22 1am7 n GLY 65 Ca -0.17 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.22 1am7 n GLY 65 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1am7 h ARG 66 N 0.00 0.05 -0.27 1.61 2.43 -1.59 -1.91 114.38 114.69 1am7 h ARG 66 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1am7 h ARG 66 Cb 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1am7 h ARG 66 CO 0.00 0.03 0.00 0.66 -1.51 0.00 0.00 179.97 179.15 1am7 n TYR 67 N -4.45 0.70 -3.75 2.20 4.01 -1.26 -4.51 117.16 110.10 1am7 n TYR 67 Ca 0.04 -0.74 -0.29 0.00 -0.16 0.00 0.00 57.90 56.75 1am7 n TYR 67 Cb 0.37 -0.20 0.03 0.00 -0.31 0.00 0.00 39.34 39.22 1am7 n TYR 67 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1am7 n GLN 68 N -0.22 -2.00 -2.58 -0.72 1.13 -0.72 -4.92 117.38 107.36 1am7 n GLN 68 Ca 0.17 0.45 -0.42 0.00 -1.94 0.00 0.00 57.00 55.27 1am7 n GLN 68 Cb 0.70 -4.29 -0.03 0.00 0.11 0.00 0.00 30.24 26.73 1am7 n GLN 68 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1am7 s LEU 69 N -6.61 4.39 0.44 1.08 2.96 -0.31 -4.34 118.68 116.29 1am7 s LEU 69 Ca 0.33 1.85 -0.23 0.00 -0.22 0.00 0.00 54.13 55.86 1am7 s LEU 69 Cb -0.12 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.91 1am7 s LEU 69 CO 0.86 -0.33 1.09 -0.76 -1.32 0.00 0.00 176.35 175.90 1am7 s LEU 70 N 0.84 4.02 0.28 -0.68 1.43 -1.26 -1.71 118.68 121.61 1am7 s LEU 70 Ca 0.54 2.11 -0.02 0.00 -1.03 0.00 0.00 54.13 55.73 1am7 s LEU 70 Cb -0.25 -4.29 0.42 0.00 0.03 0.00 0.00 46.19 42.09 1am7 s LEU 70 CO 0.29 -0.72 1.93 0.77 0.23 0.00 0.00 176.35 178.85 1am7 h SER 71 N 2.11 1.01 -0.11 2.29 4.64 -1.97 -3.43 113.55 118.10 1am7 h SER 71 Ca -0.49 -0.01 -0.43 0.00 -0.47 0.00 0.00 61.79 60.39 1am7 h SER 71 Cb 1.23 -0.23 0.05 0.00 -0.31 0.00 0.00 62.40 63.14 1am7 h SER 71 CO 0.61 0.69 1.27 -2.11 -0.87 0.00 0.00 176.83 176.42 1am7 n ARG 72 N -4.44 0.73 0.00 4.77 1.85 -1.26 -4.68 116.66 113.63 1am7 n ARG 72 Ca 0.12 -1.66 0.00 0.00 -1.00 0.00 0.00 57.85 55.31 1am7 n ARG 72 Cb 0.10 -3.16 0.00 0.00 -1.05 0.00 0.00 32.46 28.35 1am7 n ARG 72 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1am7 n ASP 75 N 12.01 0.00 0.17 2.89 8.00 -1.26 -4.77 116.55 133.60 1am7 n ASP 75 Ca 0.46 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.82 1am7 n ASP 75 Cb 0.44 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.47 1am7 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1am7 h ALA 76 N 0.00 -0.47 -0.15 2.24 0.00 -1.96 -2.86 119.26 116.05 1am7 h ALA 76 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1am7 h ALA 76 Cb 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1am7 h ALA 76 CO 0.00 -0.79 -0.45 1.88 0.00 0.00 0.00 179.25 179.89 1am7 h TYR 77 N -0.49 0.46 -0.54 0.00 0.05 -1.96 -1.59 116.97 112.89 1am7 h TYR 77 Ca -0.01 -0.14 -0.00 0.00 0.05 0.00 0.00 58.73 58.63 1am7 h TYR 77 Cb 0.44 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 1am7 h TYR 77 CO -0.13 0.77 0.32 0.07 -1.05 0.00 0.00 178.16 178.13 1am7 h ARG 78 N 0.31 0.74 0.08 4.88 0.11 -1.91 0.77 114.38 119.35 1am7 h ARG 78 Ca 0.02 -0.07 -0.00 0.00 0.10 0.00 0.00 59.98 60.03 1am7 h ARG 78 Cb 0.92 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.84 1am7 h ARG 78 CO 0.08 0.54 -0.04 -0.22 0.10 0.00 0.00 179.97 180.43 1am7 h LYS 79 N 0.73 -0.10 -0.98 0.08 3.64 -1.39 -0.11 116.57 118.44 1am7 h LYS 79 Ca 0.19 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 1am7 h LYS 79 Cb -0.00 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 1am7 h LYS 79 CO -0.04 0.17 0.64 0.37 -2.27 0.00 0.00 179.45 178.32 1am7 h GLN 80 N -0.36 1.19 -0.01 1.90 4.15 -1.14 -2.92 115.11 117.92 1am7 h GLN 80 Ca -0.01 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1am7 h GLN 80 Cb 0.31 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1am7 h GLN 80 CO 0.02 0.79 -0.42 1.28 -1.93 0.00 0.00 178.83 178.56 1am7 n LEU 81 N -4.44 1.74 -2.45 -2.39 4.77 0.25 -4.99 117.00 109.49 1am7 n LEU 81 Ca 0.13 -0.62 -0.14 0.00 -0.03 0.00 0.00 56.01 55.35 1am7 n LEU 81 Cb 0.10 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1am7 n LEU 81 CO 0.34 0.33 0.14 0.61 -1.33 0.00 0.00 177.39 177.49 1am7 n GLY 82 N 1.40 0.00 3.76 -0.72 0.00 -0.14 -5.00 105.19 104.49 1am7 n GLY 82 Ca 0.10 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1am7 n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1am7 s LEU 83 N -4.92 4.49 0.00 0.99 1.43 -0.69 -4.97 118.68 115.01 1am7 s LEU 83 Ca 0.32 1.48 0.23 0.00 -1.03 0.00 0.00 54.13 55.13 1am7 s LEU 83 Cb -0.14 -3.22 0.16 0.00 0.03 0.00 0.00 46.19 43.02 1am7 s LEU 83 CO 0.46 0.09 1.17 0.29 0.23 0.00 0.00 176.35 178.58 1am7 n LYS 84 N 2.41 0.01 -3.71 1.70 4.01 -1.26 -4.84 118.16 116.48 1am7 n LYS 84 Ca -0.04 -0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.66 1am7 n LYS 84 Cb 0.50 -1.50 0.01 0.00 -0.51 0.00 0.00 35.03 33.53 1am7 n LYS 84 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1am7 n ASP 85 N -1.51 -1.99 -2.02 4.39 5.68 -1.26 -4.93 116.55 114.91 1am7 n ASP 85 Ca 0.05 -2.60 -0.25 0.00 -0.50 0.00 0.00 54.79 51.48 1am7 n ASP 85 Cb 0.33 3.38 0.07 0.00 -1.14 0.00 0.00 41.12 43.77 1am7 n ASP 85 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1am7 n PHE 86 N -0.52 2.70 -1.37 2.11 7.35 0.11 -4.77 117.46 123.06 1am7 n PHE 86 Ca -0.06 -2.43 -0.30 0.00 -0.76 0.00 0.00 57.45 53.90 1am7 n PHE 86 Cb 0.57 -0.80 0.13 0.00 0.35 0.00 0.00 39.48 39.72 1am7 n PHE 86 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1am7 s SER 87 N -2.71 3.73 0.25 -2.13 1.04 -1.16 -4.71 113.70 108.01 1am7 s SER 87 Ca 0.55 1.31 -0.04 0.00 0.48 0.00 0.00 55.95 58.26 1am7 s SER 87 Cb 0.45 -1.99 0.49 0.00 0.10 0.00 0.00 66.02 65.06 1am7 s SER 87 CO 0.02 -2.45 1.71 -0.65 0.98 0.00 0.00 173.24 172.84 1am7 h PRO 88 N -1.42 0.36 -0.91 4.02 0.11 -1.93 -0.05 132.00 132.17 1am7 h PRO 88 Ca -0.49 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.60 1am7 h PRO 88 Cb 1.29 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1am7 h PRO 88 CO 0.58 0.24 0.59 -0.22 -0.21 0.00 0.00 178.00 178.97 1am7 h LYS 89 N 0.37 1.20 -0.53 1.05 3.64 -1.99 -0.94 116.57 119.37 1am7 h LYS 89 Ca 0.43 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.64 1am7 h LYS 89 Cb 0.70 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1am7 h LYS 89 CO -0.46 0.80 -0.03 0.77 -2.27 0.00 0.00 179.45 178.27 1am7 h SER 90 N 1.23 0.91 -0.58 4.20 0.02 -1.38 -1.18 113.55 116.78 1am7 h SER 90 Ca 0.33 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1am7 h SER 90 Cb -0.12 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.15 1am7 h SER 90 CO -0.07 0.98 0.17 1.56 -1.14 0.00 0.00 176.83 178.33 1am7 h GLN 91 N 0.85 0.91 -0.62 3.45 4.20 -0.56 -1.93 115.11 121.40 1am7 h GLN 91 Ca 0.15 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1am7 h GLN 91 Cb 0.54 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1am7 h GLN 91 CO 0.03 0.82 0.24 -0.44 -0.67 0.00 0.00 178.83 178.82 1am7 h ASP 92 N 0.82 0.86 -0.18 1.46 3.32 -1.00 -2.47 116.42 119.23 1am7 h ASP 92 Ca 0.18 -0.17 0.04 0.00 0.02 0.00 0.00 57.03 57.10 1am7 h ASP 92 Cb 0.31 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1am7 h ASP 92 CO -0.00 0.80 -0.04 0.00 -1.72 0.00 0.00 179.24 178.27 1am7 h ALA 93 N 1.09 0.12 -0.61 3.45 0.00 -0.87 -0.65 119.26 121.79 1am7 h ALA 93 Ca 0.21 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1am7 h ALA 93 Cb 0.21 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1am7 h ALA 93 CO -0.02 -0.48 0.26 0.28 0.00 0.00 0.00 179.25 179.30 1am7 h VAL 94 N 0.00 1.22 -0.39 0.00 2.07 -1.27 -0.39 116.25 117.50 1am7 h VAL 94 Ca 0.08 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1am7 h VAL 94 Cb 0.13 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1am7 h VAL 94 CO -0.18 0.27 0.19 0.00 0.02 0.00 0.00 177.57 177.86 1am7 h ALA 95 N 1.10 0.50 -0.59 1.67 0.00 -1.18 -0.96 119.26 119.81 1am7 h ALA 95 Ca 0.20 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1am7 h ALA 95 Cb 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1am7 h ALA 95 CO -0.02 0.07 0.11 -0.07 0.00 0.00 0.00 179.25 179.33 1am7 h LEU 96 N 0.49 0.90 -0.76 0.00 3.38 -0.95 -1.21 115.31 117.15 1am7 h LEU 96 Ca 0.13 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1am7 h LEU 96 Cb 0.12 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1am7 h LEU 96 CO -0.02 0.89 0.37 -0.61 0.09 0.00 0.00 178.44 179.16 1am7 h GLN 97 N 0.90 1.10 -0.44 1.13 5.75 -0.68 0.14 115.11 123.00 1am7 h GLN 97 Ca 0.19 -0.16 -0.12 0.00 -0.15 0.00 0.00 58.65 58.40 1am7 h GLN 97 Cb 0.38 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1am7 h GLN 97 CO 0.01 0.85 -0.20 1.96 -2.65 0.00 0.00 178.83 178.80 1am7 h GLN 98 N 1.07 0.87 -0.53 1.69 4.20 -0.71 -1.41 115.11 120.30 1am7 h GLN 98 Ca 0.26 -0.35 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 1am7 h GLN 98 Cb 0.12 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1am7 h GLN 98 CO -0.03 0.99 -0.05 0.82 -0.67 0.00 0.00 178.83 179.89 1am7 h ILE 99 N 0.76 1.26 -0.15 2.54 2.04 -0.91 -2.51 117.51 120.54 1am7 h ILE 99 Ca 0.11 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.80 1am7 h ILE 99 Cb 0.74 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1am7 h ILE 99 CO 0.06 0.41 0.09 0.50 0.00 0.00 0.00 178.15 179.21 1am7 h LYS 100 N 0.86 0.20 0.00 2.37 3.64 -0.44 -2.31 116.57 120.89 1am7 h LYS 100 Ca 0.15 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1am7 h LYS 100 Cb 0.58 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1am7 h LYS 100 CO 0.03 0.19 -0.04 0.93 -2.27 0.00 0.00 179.45 178.30 1am7 h GLU 101 N 0.15 0.00 -0.12 1.90 5.08 -1.04 0.83 114.58 121.38 1am7 h GLU 101 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1am7 h GLU 101 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1am7 h GLU 101 CO -0.01 0.04 0.00 0.54 -1.00 0.00 0.00 179.01 178.58 1am7 n ARG 102 N -3.51 1.63 -1.90 2.33 5.12 -0.97 -4.92 116.66 114.44 1am7 n ARG 102 Ca -0.02 -0.94 -0.14 0.00 -1.93 0.00 0.00 57.85 54.82 1am7 n ARG 102 Cb 0.15 -1.40 -0.03 0.00 -1.16 0.00 0.00 32.46 30.02 1am7 n ARG 102 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1am7 n GLY 103 N 1.10 0.50 0.06 -0.13 0.00 0.28 -4.93 105.19 102.07 1am7 n GLY 103 Ca 0.16 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1am7 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1am7 n ALA 104 N -0.44 3.07 -0.06 4.61 0.00 -0.91 -4.45 120.51 122.33 1am7 n ALA 104 Ca -0.16 -0.33 -0.07 0.00 0.00 0.00 0.00 53.44 52.88 1am7 n ALA 104 Cb 0.56 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 1am7 n ALA 104 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1am7 h LEU 105 N 0.00 -0.40 -1.26 0.00 3.38 -1.85 -0.70 115.31 114.48 1am7 h LEU 105 Ca 0.00 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1am7 h LEU 105 Cb 0.80 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1am7 h LEU 105 CO 0.00 -0.15 0.52 -0.65 0.09 0.00 0.00 178.44 178.24 1am7 h PRO 106 N -0.08 0.93 -0.54 1.13 0.11 -1.97 0.12 132.00 131.70 1am7 h PRO 106 Ca 0.13 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 1am7 h PRO 106 Cb 0.29 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 1am7 h PRO 106 CO -0.31 0.62 0.20 0.52 -0.21 0.00 0.00 178.00 178.81 1am7 h MET 107 N 0.96 0.82 -0.04 1.05 2.86 -1.53 -0.89 114.93 118.16 1am7 h MET 107 Ca 0.31 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1am7 h MET 107 Cb 0.05 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 1am7 h MET 107 CO -0.09 0.73 -0.00 0.82 1.06 0.00 0.00 176.91 179.43 1am7 h ILE 108 N 0.74 1.26 -0.97 -1.22 2.04 -0.32 0.16 117.51 119.20 1am7 h ILE 108 Ca 0.18 -0.78 0.07 0.00 1.00 0.00 0.00 64.86 65.33 1am7 h ILE 108 Cb 0.23 1.70 -0.07 0.00 -0.74 0.00 0.00 36.82 37.94 1am7 h ILE 108 CO -0.01 0.21 0.62 0.44 0.00 0.00 0.00 178.15 179.41 1am7 h ASP 109 N -0.23 0.97 0.50 1.72 3.32 -0.67 -2.08 116.42 119.95 1am7 h ASP 109 Ca 0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1am7 h ASP 109 Cb 0.34 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1am7 h ASP 109 CO 0.00 0.61 -0.22 -2.11 -1.72 0.00 0.00 179.24 175.80 1am7 n ARG 110 N -4.51 0.39 -0.27 3.56 1.85 -0.35 -4.95 116.66 112.38 1am7 n ARG 110 Ca 0.15 -0.16 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 1am7 n ARG 110 Cb 0.22 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.13 1am7 n ARG 110 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1am7 n GLY 111 N 1.39 0.85 2.87 2.89 0.00 -0.78 -4.56 105.19 107.84 1am7 n GLY 111 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1am7 n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1am7 n ASP 112 N 0.00 5.01 -0.18 1.61 8.00 0.50 -1.43 116.55 130.06 1am7 n ASP 112 Ca 0.00 -3.09 -0.07 0.00 0.71 0.00 0.00 54.79 52.34 1am7 n ASP 112 Cb 0.00 -1.49 0.08 0.00 -0.02 0.00 0.00 41.12 39.69 1am7 n ASP 112 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1am7 h ILE 113 N 3.77 1.26 -0.77 0.53 1.08 -1.91 -2.22 117.51 119.26 1am7 h ILE 113 Ca 0.40 -1.07 0.06 0.00 -0.39 0.00 0.00 64.86 63.86 1am7 h ILE 113 Cb 0.63 0.78 -0.06 0.00 -3.07 0.00 0.00 36.82 35.10 1am7 h ILE 113 CO 1.64 0.39 0.46 0.03 -0.69 0.00 0.00 178.15 179.98 1am7 h ARG 114 N 0.91 0.82 -0.30 2.37 3.08 -1.96 0.12 114.38 119.42 1am7 h ARG 114 Ca 0.17 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.06 1am7 h ARG 114 Cb 0.49 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1am7 h ARG 114 CO 0.02 0.54 -0.26 1.96 -1.07 0.00 0.00 179.97 181.17 1am7 h GLN 115 N 0.84 0.71 -0.60 0.04 7.50 -1.93 -2.45 115.11 119.23 1am7 h GLN 115 Ca 0.34 -0.36 0.02 0.00 0.50 0.00 0.00 58.65 59.15 1am7 h GLN 115 Cb 0.17 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.67 1am7 h GLN 115 CO -0.17 0.97 0.38 0.00 -1.50 0.00 0.00 178.83 178.51 1am7 h ALA 116 N 0.73 0.77 -0.33 3.87 0.00 -0.77 -0.75 119.26 122.77 1am7 h ALA 116 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1am7 h ALA 116 Cb 0.82 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1am7 h ALA 116 CO 0.07 0.14 0.16 0.82 0.00 0.00 0.00 179.25 180.44 1am7 h ILE 117 N 0.76 0.99 -0.53 0.00 2.04 -0.71 -0.52 117.51 119.53 1am7 h ILE 117 Ca 0.23 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 1am7 h ILE 117 Cb -0.02 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1am7 h ILE 117 CO -0.08 0.06 0.32 -0.78 0.00 0.00 0.00 178.15 177.68 1am7 h ASP 118 N 0.34 0.64 -0.33 1.72 3.58 -1.06 -1.25 116.42 120.06 1am7 h ASP 118 Ca 0.14 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 1am7 h ASP 118 Cb 0.05 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 1am7 h ASP 118 CO -0.09 0.51 0.11 0.03 -2.88 0.00 0.00 179.24 176.92 1am7 h ARG 119 N 0.72 0.58 -0.01 0.28 2.47 -0.73 -2.89 114.38 114.80 1am7 h ARG 119 Ca 0.19 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1am7 h ARG 119 Cb -0.02 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 1am7 h ARG 119 CO -0.04 0.52 -0.12 0.00 0.56 0.00 0.00 179.97 180.89 1am7 h SER 121 N 1.81 0.00 1.03 0.00 4.64 -1.02 -1.16 113.55 118.84 1am7 h SER 121 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1am7 h SER 121 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1am7 h SER 121 CO 0.00 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 175.51 1am7 n ASN 122 N -3.17 0.06 -1.53 4.97 0.23 -1.26 -4.56 115.26 109.99 1am7 n ASN 122 Ca -0.02 0.51 0.10 0.00 -0.53 0.00 0.00 54.58 54.64 1am7 n ASN 122 Cb 0.15 -0.52 0.35 0.00 -2.08 0.00 0.00 39.78 37.67 1am7 n ASN 122 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1am7 n ILE 123 N -1.55 1.58 0.00 1.53 5.41 -0.44 -5.19 119.36 120.69 1am7 n ILE 123 Ca 0.07 -1.12 0.00 0.00 1.00 0.00 0.00 62.75 62.70 1am7 n ILE 123 Cb 0.34 0.22 0.00 0.00 -0.71 0.00 0.00 39.64 39.49 1am7 n ILE 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1am7 n ALA 125 N 1.28 1.33 0.59 -1.39 0.00 -1.26 -5.11 120.51 115.95 1am7 n ALA 125 Ca 0.25 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.82 1am7 n ALA 125 Cb 0.81 0.07 0.34 0.00 0.00 0.00 0.00 19.45 20.67 1am7 n ALA 125 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1am7 h SER 126 N 0.00 0.00 -3.40 0.00 4.64 -1.92 -3.45 113.55 109.42 1am7 h SER 126 Ca 0.00 -0.04 -0.55 0.00 -0.47 0.00 0.00 61.79 60.73 1am7 h SER 126 Cb 0.26 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.31 1am7 h SER 126 CO 0.00 0.02 0.16 -0.76 -0.87 0.00 0.00 176.83 175.38 1am7 s LEU 127 N -4.58 4.38 0.45 5.97 1.43 -1.26 -4.99 118.68 120.07 1am7 s LEU 127 Ca 0.09 1.36 -0.08 0.00 -1.03 0.00 0.00 54.13 54.48 1am7 s LEU 127 Cb 0.12 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.08 1am7 s LEU 127 CO 0.63 -0.08 0.79 -2.16 0.23 0.00 0.00 176.35 175.75 1am7 s PRO 128 N 0.48 3.66 0.38 1.29 0.04 -1.26 -4.70 135.00 134.88 1am7 s PRO 128 Ca 0.40 0.35 -0.01 0.00 0.04 0.00 0.00 61.00 61.78 1am7 s PRO 128 Cb -0.19 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 31.94 1am7 s PRO 128 CO 0.22 -0.14 0.60 0.20 0.04 0.00 0.00 177.00 177.92 1am7 s GLY 129 N -3.66 1.40 0.36 0.56 0.00 -1.26 -4.33 107.32 100.39 1am7 s GLY 129 Ca 0.49 -0.80 0.15 0.00 0.00 0.00 0.00 44.72 44.56 1am7 s GLY 129 CO 0.39 -0.71 1.77 0.00 0.00 0.00 0.00 173.10 174.55 1am7 h ALA 130 N 0.67 1.18 0.00 3.20 0.00 -1.95 -2.64 119.26 119.72 1am7 h ALA 130 Ca -0.49 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1am7 h ALA 130 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1am7 h ALA 130 CO 0.62 0.52 0.00 0.78 0.00 0.00 0.00 179.25 181.16 1am7 h GLY 131 N 1.51 0.00 -2.06 0.00 0.00 -2.00 -3.46 103.07 97.06 1am7 h GLY 131 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.85 1am7 h GLY 131 CO 0.05 0.00 0.39 -0.19 0.00 0.00 0.00 176.54 176.79 1am7 s TYR 132 N -3.20 2.96 0.22 5.60 1.51 -1.00 -4.99 117.35 118.46 1am7 s TYR 132 Ca 0.08 1.57 -0.08 0.00 -1.01 0.00 0.00 57.07 57.63 1am7 s TYR 132 Cb 0.11 -3.09 0.28 0.00 -0.11 0.00 0.00 41.96 39.15 1am7 s TYR 132 CO 0.53 -0.93 1.82 0.78 -1.11 0.00 0.00 175.55 176.65 1am7 h GLY 133 N 1.47 1.10 -0.92 0.71 0.00 -1.89 -2.88 103.07 100.66 1am7 h GLY 133 Ca -0.49 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1am7 h GLY 133 CO 0.59 0.19 0.00 -0.18 0.00 0.00 0.00 176.54 177.14 1am7 n GLN 134 N -4.73 1.62 0.07 4.80 7.27 -1.26 -4.56 117.38 120.60 1am7 n GLN 134 Ca 0.10 -0.96 -0.14 0.00 0.07 0.00 0.00 57.00 56.07 1am7 n GLN 134 Cb 0.18 -1.24 -0.07 0.00 2.41 0.00 0.00 30.24 31.51 1am7 n GLN 134 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 1am7 h PHE 135 N 1.62 -1.24 -0.94 3.69 3.57 -1.75 -0.67 116.94 121.21 1am7 h PHE 135 Ca 0.00 0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.66 1am7 h PHE 135 Cb 0.37 0.54 -0.09 0.00 2.79 0.00 0.00 35.95 39.57 1am7 h PHE 135 CO 0.17 -0.51 0.57 0.93 -2.23 0.00 0.00 178.31 177.23 1am7 h GLU 136 N -0.61 0.85 -0.09 1.11 4.39 -1.85 0.16 114.58 118.54 1am7 h GLU 136 Ca 0.04 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1am7 h GLU 136 Cb 0.67 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1am7 h GLU 136 CO -0.31 0.56 -0.05 1.25 -1.16 0.00 0.00 179.01 179.31 1am7 h HIS 137 N 0.88 0.23 -0.25 4.33 2.76 -1.78 -2.90 115.15 118.41 1am7 h HIS 137 Ca 0.48 -0.06 -0.10 0.00 -2.20 0.00 0.00 60.37 58.49 1am7 h HIS 137 Cb 0.52 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 1am7 h HIS 137 CO -0.03 0.55 -0.29 0.87 -1.30 0.00 0.00 177.93 177.74 1am7 h LYS 138 N -0.17 0.50 -0.05 5.26 1.57 -0.75 -2.92 116.57 120.02 1am7 h LYS 138 Ca 0.02 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 1am7 h LYS 138 Cb 0.49 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1am7 h LYS 138 CO 0.01 0.74 -0.20 0.00 -0.57 0.00 0.00 179.45 179.44 1am7 h ALA 139 N 1.26 1.58 -0.18 3.86 0.00 -0.70 -1.79 119.26 123.29 1am7 h ALA 139 Ca 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1am7 h ALA 139 Cb 0.72 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1am7 h ALA 139 CO 0.06 0.31 0.05 -0.44 0.00 0.00 0.00 179.25 179.23 1am7 h ASP 140 N 0.08 0.26 -0.17 0.00 3.32 -1.31 0.25 116.42 118.86 1am7 h ASP 140 Ca 0.01 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1am7 h ASP 140 Cb 0.40 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1am7 h ASP 140 CO 0.03 0.40 0.11 0.28 -1.72 0.00 0.00 179.24 178.34 1am7 h SER 141 N 0.11 0.19 -0.61 6.45 0.02 -1.54 -0.24 113.55 117.92 1am7 h SER 141 Ca 0.06 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1am7 h SER 141 Cb 0.23 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1am7 h SER 141 CO -0.00 0.14 0.39 -0.07 -1.14 0.00 0.00 176.83 176.15 1am7 h LEU 142 N 0.22 0.67 -1.01 5.07 3.38 -1.15 -1.27 115.31 121.22 1am7 h LEU 142 Ca 0.06 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1am7 h LEU 142 Cb -0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1am7 h LEU 142 CO -0.01 0.48 0.07 0.40 0.09 0.00 0.00 178.44 179.47 1am7 h ILE 143 N 0.80 1.23 -0.30 1.22 2.04 -0.25 0.12 117.51 122.37 1am7 h ILE 143 Ca 0.23 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 1am7 h ILE 143 Cb -0.05 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1am7 h ILE 143 CO -0.07 0.32 0.11 0.00 0.00 0.00 0.00 178.15 178.51 1am7 h ALA 144 N 1.33 0.39 -0.59 1.87 0.00 -0.37 -1.02 119.26 120.88 1am7 h ALA 144 Ca 0.16 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1am7 h ALA 144 Cb 0.35 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1am7 h ALA 144 CO 0.01 0.01 0.10 0.87 0.00 0.00 0.00 179.25 180.24 1am7 h LYS 145 N 0.33 0.95 -0.58 0.00 1.79 -0.88 -1.02 116.57 117.17 1am7 h LYS 145 Ca 0.10 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1am7 h LYS 145 Cb 0.22 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 1am7 h LYS 145 CO -0.01 0.88 0.38 0.35 -1.08 0.00 0.00 179.45 179.97 1am7 h PHE 146 N 0.90 0.74 -0.55 -1.35 3.57 -0.69 -1.94 116.94 117.62 1am7 h PHE 146 Ca 0.19 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 1am7 h PHE 146 Cb 0.39 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1am7 h PHE 146 CO 0.02 0.48 0.14 0.87 -2.23 0.00 0.00 178.31 177.60 1am7 h LYS 147 N 0.79 0.87 0.00 1.11 1.79 -0.77 -1.68 116.57 118.67 1am7 h LYS 147 Ca 0.21 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1am7 h LYS 147 Cb -0.07 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.46 1am7 h LYS 147 CO -0.04 0.81 0.00 1.05 -1.08 0.00 0.00 179.45 180.19 1am7 h GLU 148 N 0.77 0.00 -0.02 3.15 4.11 -0.92 -0.99 114.58 120.67 1am7 h GLU 148 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 1am7 h GLU 148 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1am7 h GLU 148 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.08 1am7 n ALA 149 N -1.94 2.63 -0.12 1.06 0.00 -0.76 -4.87 120.51 116.52 1am7 n ALA 149 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1am7 n ALA 149 Cb 0.30 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1am7 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1am7 n GLY 150 N 0.97 0.78 3.85 0.00 0.00 -0.38 -4.62 105.19 105.79 1am7 n GLY 150 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1am7 n GLY 150 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1am7 s GLY 151 N -1.63 2.12 -0.16 -0.02 0.00 -0.67 -4.89 107.32 102.06 1am7 s GLY 151 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 44.72 44.82 1am7 s GLY 151 CO 0.00 0.38 -0.06 -0.51 0.00 0.00 0.00 173.10 172.92 1am7 s THR 152 N -2.43 3.64 0.07 0.90 -4.23 -1.26 -4.27 115.64 108.05 1am7 s THR 152 Ca 0.57 -0.44 -0.02 0.00 -1.18 0.00 0.00 61.69 60.63 1am7 s THR 152 Cb -0.10 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 1am7 s THR 152 CO 0.27 0.49 0.25 -0.69 -0.54 0.00 0.00 174.62 174.39 1am7 s VAL 153 N 0.54 5.34 -2.86 2.29 1.01 -1.26 -4.34 120.40 121.12 1am7 s VAL 153 Ca -0.04 -0.25 0.25 0.00 0.00 0.00 0.00 61.98 61.94 1am7 s VAL 153 Cb -0.15 -3.62 0.29 0.00 0.00 0.00 0.00 36.38 32.91 1am7 s VAL 153 CO 0.03 0.14 1.40 -1.14 0.00 0.00 0.00 175.10 175.53