#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1am7 n VAL 2 N 0.00 0.57 -2.99 3.17 0.31 -1.26 -4.97 118.33 113.16 1am7 n VAL 2 Ca 0.00 -0.18 -0.33 0.00 -0.01 0.00 0.00 64.34 63.82 1am7 n VAL 2 Cb 0.00 -2.08 -0.06 0.00 -0.91 0.00 0.00 33.84 30.78 1am7 n VAL 2 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1am7 s GLU 3 N 4.70 4.13 0.00 5.55 -1.05 -1.26 -5.01 118.70 125.77 1am7 s GLU 3 Ca 0.94 0.89 -0.15 0.00 -0.15 0.00 0.00 54.97 56.50 1am7 s GLU 3 Cb -0.58 -2.37 -0.06 0.00 -0.44 0.00 0.00 34.13 30.68 1am7 s GLU 3 CO 0.47 0.10 0.42 0.42 0.95 0.00 0.00 175.26 177.62 1am7 s ILE 4 N -2.02 5.01 0.35 1.83 1.01 -1.26 -5.03 121.20 121.08 1am7 s ILE 4 Ca 0.56 0.87 0.05 0.00 0.00 0.00 0.00 60.65 62.14 1am7 s ILE 4 Cb -0.10 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 1am7 s ILE 4 CO 0.16 0.57 0.21 0.54 0.00 0.00 0.00 174.94 176.42 1am7 s ASN 5 N -1.05 1.93 0.27 3.58 2.20 -1.26 -5.00 114.94 115.61 1am7 s ASN 5 Ca 0.24 -1.69 -0.02 0.00 -0.94 0.00 0.00 52.86 50.46 1am7 s ASN 5 Cb -0.17 0.52 0.44 0.00 -2.00 0.00 0.00 41.25 40.03 1am7 s ASN 5 CO 0.14 -0.99 1.89 0.78 -2.94 0.00 0.00 177.10 175.98 1am7 h ASN 6 N 2.06 1.01 -0.34 3.54 2.35 -1.98 -0.05 115.58 122.18 1am7 h ASN 6 Ca -0.30 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.38 1am7 h ASN 6 Cb 1.25 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 1am7 h ASN 6 CO 0.46 0.65 -0.09 1.56 -1.65 0.00 0.00 177.43 178.35 1am7 h GLN 7 N 1.15 0.65 -0.53 0.81 1.08 -1.91 -1.73 115.11 114.64 1am7 h GLN 7 Ca 0.42 -0.25 -0.12 0.00 -1.45 0.00 0.00 58.65 57.25 1am7 h GLN 7 Cb 0.18 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1am7 h GLN 7 CO -0.17 0.83 -0.13 0.00 -0.95 0.00 0.00 178.83 178.41 1am7 h ARG 8 N 0.44 1.01 -0.42 1.46 3.08 -1.80 -1.29 114.38 116.85 1am7 h ARG 8 Ca 0.08 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 1am7 h ARG 8 Cb 0.59 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1am7 h ARG 8 CO 0.03 1.06 0.15 -0.22 -1.07 0.00 0.00 179.97 179.93 1am7 h LYS 9 N 0.89 0.65 -0.54 0.04 3.64 -0.97 -1.46 116.57 118.81 1am7 h LYS 9 Ca 0.13 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1am7 h LYS 9 Cb 0.69 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1am7 h LYS 9 CO 0.05 0.62 0.31 0.00 -2.27 0.00 0.00 179.45 178.16 1am7 h ALA 10 N 1.00 1.52 -0.43 5.00 0.00 -1.07 -0.85 119.26 124.43 1am7 h ALA 10 Ca 0.14 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1am7 h ALA 10 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1am7 h ALA 10 CO -0.01 0.41 -0.15 0.35 0.00 0.00 0.00 179.25 179.85 1am7 h PHE 11 N 0.75 0.98 -0.57 0.00 3.57 -0.66 -1.58 116.94 119.43 1am7 h PHE 11 Ca 0.19 -0.23 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1am7 h PHE 11 Cb 0.00 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 1am7 h PHE 11 CO 0.00 0.99 0.10 -0.07 -2.23 0.00 0.00 178.31 177.10 1am7 h LEU 12 N 0.68 0.85 -0.48 0.59 3.38 -0.62 -0.02 115.31 119.70 1am7 h LEU 12 Ca 0.10 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 1am7 h LEU 12 Cb 0.70 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1am7 h LEU 12 CO 0.05 0.86 -0.18 0.44 0.09 0.00 0.00 178.44 179.70 1am7 h ASP 13 N 0.86 0.99 -0.53 -0.43 3.32 -1.05 -0.46 116.42 119.12 1am7 h ASP 13 Ca 0.18 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1am7 h ASP 13 Cb 0.37 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1am7 h ASP 13 CO 0.01 1.15 0.30 -0.03 -1.72 0.00 0.00 179.24 178.95 1am7 h MET 14 N 0.82 0.73 -0.15 3.56 4.05 -0.97 -2.98 114.93 119.99 1am7 h MET 14 Ca 0.11 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1am7 h MET 14 Cb 0.75 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 1am7 h MET 14 CO 0.06 0.55 0.09 1.25 0.23 0.00 0.00 176.91 179.10 1am7 h LEU 15 N 0.71 0.17 -1.37 3.39 5.85 -0.79 0.12 115.31 123.39 1am7 h LEU 15 Ca 0.19 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1am7 h LEU 15 Cb 0.02 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1am7 h LEU 15 CO -0.03 0.14 0.00 0.00 -0.34 0.00 0.00 178.44 178.20 1am7 n ALA 16 N -2.14 1.14 0.00 1.25 0.00 -0.20 -0.55 120.51 120.02 1am7 n ALA 16 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1am7 n ALA 16 Cb 0.03 -0.97 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 0.66 0.00 0.00 0.00 2.88 0.42 -1.85 113.62 115.73 1am7 n SER 18 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 1am7 n SER 18 Cb 0.00 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 63.87 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 0.11 -1.01 -1.46 -0.58 0.29 -4.83 120.64 113.16 1am7 n GLU 19 Ca 0.00 0.16 -0.00 0.00 -0.42 0.00 0.00 57.16 56.90 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 0.31 0.46 0.10 0.62 0.00 -1.01 -4.92 105.19 100.74 1am7 n GLY 20 Ca 0.06 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 1am7 n GLY 20 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1am7 h THR 21 N 0.00 0.87 -2.57 2.61 1.35 -1.63 -3.43 112.91 110.11 1am7 h THR 21 Ca -0.01 -2.66 -0.60 0.00 -0.55 0.00 0.00 66.41 62.60 1am7 h THR 21 Cb 0.04 2.50 -0.39 0.00 -1.73 0.00 0.00 68.15 68.57 1am7 h THR 21 CO 0.01 0.65 -0.84 -0.67 -0.25 0.00 0.00 175.52 174.42 1am7 n ASP 22 N -3.22 0.79 -0.59 5.36 2.03 -0.92 -3.50 116.55 116.51 1am7 n ASP 22 Ca -0.20 -2.69 0.03 0.00 0.52 0.00 0.00 54.79 52.46 1am7 n ASP 22 Cb 1.04 -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 2.43 0.84 0.00 1.67 6.94 -1.26 -4.86 115.26 121.01 1am7 n ASN 23 Ca 0.26 -2.39 0.00 0.00 -0.02 0.00 0.00 54.58 52.43 1am7 n ASN 23 Cb 0.44 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 1am7 n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1am7 n GLY 24 N -0.32 0.78 0.78 4.83 0.00 -1.26 -4.67 105.19 105.33 1am7 n GLY 24 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 0.11 -1.82 1.61 1.74 -1.26 -4.99 116.66 110.04 1am7 n ARG 25 Ca 0.00 0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.71 1am7 n ARG 25 Cb 0.00 -0.71 -0.03 0.00 -1.02 0.00 0.00 32.46 30.70 1am7 n ARG 25 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1am7 s GLN 26 N -2.09 4.16 0.40 5.56 2.00 -1.26 -4.94 119.66 123.49 1am7 s GLN 26 Ca -0.07 2.51 -0.26 0.00 -2.00 0.00 0.00 55.36 55.54 1am7 s GLN 26 Cb 0.03 -3.09 -0.09 0.00 0.80 0.00 0.00 33.01 30.66 1am7 s GLN 26 CO 0.09 -0.67 1.31 -1.59 -0.50 0.00 0.00 175.29 173.93 1am7 s LYS 27 N 0.80 4.00 -0.13 1.67 -2.85 -1.26 -4.78 119.74 117.18 1am7 s LYS 27 Ca 0.70 2.17 -0.30 0.00 -1.00 0.00 0.00 55.97 57.54 1am7 s LYS 27 Cb -0.47 -2.78 0.11 0.00 -2.06 0.00 0.00 37.83 32.62 1am7 s LYS 27 CO 0.35 -0.47 0.88 -0.08 0.10 0.00 0.00 175.35 176.13 1am7 s THR 28 N -1.25 0.00 -1.99 3.79 -1.32 -1.26 -4.92 115.64 108.68 1am7 s THR 28 Ca 0.56 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 61.21 1am7 s THR 28 Cb -0.38 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 69.71 1am7 s THR 28 CO 0.49 0.00 1.00 0.54 -2.21 0.00 0.00 174.62 174.45 1am7 n ARG 29 N 0.90 1.48 -2.81 7.08 1.74 -1.26 -4.74 116.66 119.04 1am7 n ARG 29 Ca -0.13 -1.35 -0.10 0.00 -0.77 0.00 0.00 57.85 55.50 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 0.69 -1.45 -3.36 0.55 4.05 -1.26 -5.02 115.26 109.46 1am7 n ASN 30 Ca 0.09 -3.31 -0.24 0.00 0.45 0.00 0.00 54.58 51.57 1am7 n ASN 30 Cb 0.41 1.15 0.00 0.00 1.23 0.00 0.00 39.78 42.58 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 0.16 -1.84 0.00 1.20 8.25 -1.26 -1.30 115.22 120.42 1am7 n HIS 31 Ca 0.08 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 58.05 1am7 n HIS 31 Cb 0.72 -3.24 0.00 0.00 1.12 0.00 0.00 29.99 28.59 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 -1.26 2.24 0.05 -1.41 0.00 -1.23 -4.53 105.19 99.05 1am7 n GLY 32 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 0.27 -0.58 1.61 4.01 -0.42 -2.05 117.16 117.99 1am7 n TYR 33 Ca 0.00 0.13 0.06 0.00 -0.16 0.00 0.00 57.90 57.93 1am7 n TYR 33 Cb 0.00 -0.70 0.16 0.00 -0.31 0.00 0.00 39.34 38.49 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 -1.77 3.00 -4.72 7.72 5.75 -1.26 -4.19 116.55 121.08 1am7 n ASP 34 Ca 0.01 -2.54 -0.39 0.00 -0.01 0.00 0.00 54.79 51.86 1am7 n ASP 34 Cb 0.10 -0.33 -0.06 0.00 -1.03 0.00 0.00 41.12 39.80 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 -1.96 5.14 0.01 2.12 1.01 -0.87 -1.49 120.40 124.35 1am7 s VAL 35 Ca 0.27 1.12 -0.01 0.00 0.00 0.00 0.00 61.98 63.36 1am7 s VAL 35 Cb 0.20 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1am7 s VAL 35 CO 0.08 0.29 0.15 -0.63 0.00 0.00 0.00 175.10 175.00 1am7 s ILE 36 N 0.73 5.17 0.19 2.22 1.01 0.44 -0.13 121.20 130.83 1am7 s ILE 36 Ca 0.30 -0.30 -0.32 0.00 0.00 0.00 0.00 60.65 60.33 1am7 s ILE 36 Cb -0.16 -3.42 -0.15 0.00 0.01 0.00 0.00 42.46 38.74 1am7 s ILE 36 CO 0.13 0.30 1.21 0.55 0.00 0.00 0.00 174.94 177.12 1am7 n VAL 37 N 0.91 0.95 0.00 2.92 3.14 -0.24 -0.78 118.33 125.24 1am7 n VAL 37 Ca -0.11 -0.24 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 1am7 n VAL 37 Cb 0.52 -0.98 0.00 0.00 -1.06 0.00 0.00 33.84 32.33 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 2.01 2.69 0.00 7.55 0.00 -1.26 -4.53 105.19 111.65 1am7 n GLY 38 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.47 1.02 3.88 -0.02 0.00 0.04 -5.12 105.19 104.54 1am7 n GLY 39 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1am7 n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1am7 s GLU 40 N -0.26 3.49 0.15 1.61 0.41 -1.22 -4.82 118.70 118.06 1am7 s GLU 40 Ca 0.00 0.53 0.08 0.00 -0.41 0.00 0.00 54.97 55.16 1am7 s GLU 40 Cb 0.00 -2.17 -0.04 0.00 -1.78 0.00 0.00 34.13 30.14 1am7 s GLU 40 CO 0.00 -0.50 -0.07 -0.51 -0.49 0.00 0.00 175.26 173.68 1am7 s LEU 41 N -5.05 3.08 0.31 1.80 1.43 -1.26 -0.42 118.68 118.57 1am7 s LEU 41 Ca 0.53 -0.47 0.11 0.00 -1.03 0.00 0.00 54.13 53.27 1am7 s LEU 41 Cb -0.11 -1.80 -0.06 0.00 0.03 0.00 0.00 46.19 44.26 1am7 s LEU 41 CO 0.51 0.13 -0.14 0.72 0.23 0.00 0.00 176.35 177.79 1am7 s PHE 42 N -1.53 2.34 0.00 0.29 -0.12 -0.56 -4.94 117.98 113.46 1am7 s PHE 42 Ca 0.24 -0.43 0.00 0.00 -0.05 0.00 0.00 56.93 56.69 1am7 s PHE 42 Cb -0.10 -1.20 0.00 0.00 -0.63 0.00 0.00 43.02 41.09 1am7 s PHE 42 CO 0.15 0.64 0.00 0.25 -0.05 0.00 0.00 175.22 176.21 1am7 n THR 43 N -0.71 0.00 -3.26 -4.49 -2.24 -1.26 -4.82 114.28 97.50 1am7 n THR 43 Ca -0.05 -0.16 -0.41 0.00 -2.27 0.00 0.00 64.05 61.16 1am7 n THR 43 Cb 0.62 0.64 -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 -1.17 6.32 0.00 3.42 2.15 -1.26 -4.95 116.67 121.18 1am7 s ASP 44 Ca 0.00 0.08 0.18 0.00 0.43 0.00 0.00 52.55 53.23 1am7 s ASP 44 Cb 0.00 -2.26 0.50 0.00 -0.30 0.00 0.00 42.92 40.86 1am7 s ASP 44 CO 0.00 -0.41 1.42 -1.22 -0.17 0.00 0.00 175.17 174.79 1am7 n TYR 45 N 5.65 0.72 0.31 -5.34 4.01 -1.26 -4.36 117.16 116.89 1am7 n TYR 45 Ca -0.05 -0.36 0.15 0.00 -0.16 0.00 0.00 57.90 57.48 1am7 n TYR 45 Cb 0.49 0.00 0.54 0.00 -0.31 0.00 0.00 39.34 40.06 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 3.31 0.00 -4.99 7.72 4.64 -1.92 0.39 113.55 122.70 1am7 h SER 46 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1am7 h SER 46 Cb 0.75 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.75 1am7 h SER 46 CO 0.00 0.00 0.31 -0.62 -0.87 0.00 0.00 176.83 175.65 1am7 s ASP 47 N -5.46 -0.38 0.34 4.97 2.15 -1.26 -3.75 116.67 113.29 1am7 s ASP 47 Ca 0.03 -0.26 -0.29 0.00 0.43 0.00 0.00 52.55 52.47 1am7 s ASP 47 Cb 0.08 0.59 -0.11 0.00 -0.30 0.00 0.00 42.92 43.18 1am7 s ASP 47 CO 0.54 -1.02 1.53 -2.28 -0.17 0.00 0.00 175.17 173.78 1am7 s HIS 48 N -3.62 2.66 0.53 -5.34 5.04 -1.26 -4.73 115.29 108.56 1am7 s HIS 48 Ca 0.07 1.00 0.29 0.00 -1.54 0.00 0.00 55.06 54.87 1am7 s HIS 48 Cb -0.03 -4.05 1.70 0.00 0.04 0.00 0.00 32.58 30.25 1am7 s HIS 48 CO -0.04 -3.26 2.19 -1.00 -2.34 0.00 0.00 174.74 170.29 1am7 h PRO 49 N 3.81 0.00 -5.75 2.88 0.13 -1.94 -3.47 132.00 127.66 1am7 h PRO 49 Ca -0.49 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.29 1am7 h PRO 49 Cb 1.23 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.50 1am7 h PRO 49 CO 0.71 0.04 -0.77 0.54 -0.23 0.00 0.00 178.00 178.29 1am7 n ARG 50 N -3.76 -6.39 -4.36 0.86 1.74 -1.26 -5.01 116.66 98.47 1am7 n ARG 50 Ca -0.03 0.80 -0.23 0.00 -0.77 0.00 0.00 57.85 57.63 1am7 n ARG 50 Cb 0.14 -5.74 -0.11 0.00 -1.02 0.00 0.00 32.46 25.72 1am7 n ARG 50 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1am7 s LYS 51 N -5.56 1.35 0.20 5.56 1.02 -1.26 -5.11 119.74 115.94 1am7 s LYS 51 Ca 0.05 -1.45 0.08 0.00 0.02 0.00 0.00 55.97 54.66 1am7 s LYS 51 Cb -0.02 -1.45 -0.05 0.00 -0.52 0.00 0.00 37.83 35.79 1am7 s LYS 51 CO 0.75 0.30 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.82 1am7 s LEU 52 N -2.73 2.55 0.00 3.17 1.43 -1.26 -4.25 118.68 117.60 1am7 s LEU 52 Ca 0.18 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 1am7 s LEU 52 Cb -0.06 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.51 1am7 s LEU 52 CO 0.08 -0.18 0.64 1.33 0.23 0.00 0.00 176.35 178.45 1am7 n VAL 53 N -0.37 0.26 -3.69 -1.59 0.24 -1.26 -5.03 118.33 106.88 1am7 n VAL 53 Ca -0.08 -0.63 -0.14 0.00 -2.04 0.00 0.00 64.34 61.45 1am7 n VAL 53 Cb 0.60 0.88 -0.08 0.00 -1.47 0.00 0.00 33.84 33.76 1am7 n VAL 53 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1am7 s THR 54 N -0.28 0.02 -2.78 3.34 -1.32 -1.26 -5.02 115.64 108.34 1am7 s THR 54 Ca 0.01 -0.17 0.24 0.00 -1.21 0.00 0.00 61.69 60.55 1am7 s THR 54 Cb 0.00 -0.71 0.29 0.00 -1.51 0.00 0.00 72.50 70.57 1am7 s THR 54 CO 0.00 -0.09 1.32 0.18 -2.21 0.00 0.00 174.62 173.82 1am7 n LEU 55 N 1.90 3.21 -4.63 9.08 4.77 -1.26 -4.60 117.00 125.46 1am7 n LEU 55 Ca -0.17 -1.22 -0.43 0.00 -0.03 0.00 0.00 56.01 54.16 1am7 n LEU 55 Cb 0.56 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1am7 n LEU 55 CO 0.17 0.61 1.60 0.21 -1.33 0.00 0.00 177.39 178.65 1am7 s ASN 56 N -1.78 6.12 0.35 -1.43 3.84 -1.26 -4.87 114.94 115.92 1am7 s ASN 56 Ca 0.33 2.09 0.15 0.00 0.21 0.00 0.00 52.86 55.64 1am7 s ASN 56 Cb 0.21 -2.52 1.06 0.00 -0.55 0.00 0.00 41.25 39.45 1am7 s ASN 56 CO 0.31 -1.40 1.69 -0.65 -2.79 0.00 0.00 177.10 174.27 1am7 h PRO 57 N 12.00 0.38 0.11 0.43 0.11 -1.99 -0.32 132.00 142.72 1am7 h PRO 57 Ca -0.42 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.40 1am7 h PRO 57 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1am7 h PRO 57 CO 0.97 0.25 -1.27 0.87 -0.21 0.00 0.00 178.00 178.61 1am7 h LYS 58 N 0.39 0.22 -0.01 1.05 1.57 -2.00 -3.36 116.57 114.44 1am7 h LYS 58 Ca 0.70 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1am7 h LYS 58 Cb 1.59 0.14 0.00 0.00 0.08 0.00 0.00 32.23 34.05 1am7 h LYS 58 CO -0.51 1.16 -0.42 1.28 -0.57 0.00 0.00 179.45 180.39 1am7 n LEU 59 N -3.48 1.02 -4.62 2.94 4.77 -0.66 -5.00 117.00 111.97 1am7 n LEU 59 Ca -0.09 -0.28 -0.51 0.00 -0.03 0.00 0.00 56.01 55.11 1am7 n LEU 59 Cb 1.02 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.92 1am7 n LEU 59 CO 0.52 0.20 1.02 0.29 -1.33 0.00 0.00 177.39 178.09 1am7 n LYS 60 N -0.87 1.44 -3.79 3.23 5.02 -0.22 -4.94 118.16 118.01 1am7 n LYS 60 Ca 0.09 0.52 -0.13 0.00 -2.02 0.00 0.00 58.31 56.78 1am7 n LYS 60 Cb 0.36 -2.20 -0.10 0.00 -0.02 0.00 0.00 35.03 33.06 1am7 n LYS 60 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1am7 s SER 61 N 0.87 -0.20 -0.09 4.39 0.15 -1.26 -5.02 113.70 112.55 1am7 s SER 61 Ca 0.84 0.28 0.12 0.00 0.70 0.00 0.00 55.95 57.89 1am7 s SER 61 Cb -0.88 0.42 0.28 0.00 -1.71 0.00 0.00 66.02 64.12 1am7 s SER 61 CO 0.46 -0.23 1.20 0.35 1.20 0.00 0.00 173.24 176.22 1am7 n THR 62 N 2.27 1.60 -1.64 6.45 -2.24 -1.26 -4.21 114.28 115.25 1am7 n THR 62 Ca -0.17 -1.63 -0.45 0.00 -2.27 0.00 0.00 64.05 59.53 1am7 n THR 62 Cb 0.57 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 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 -0.63 0.47 3.28 3.38 0.00 -1.26 -3.96 105.19 106.47 1am7 n GLY 63 Ca 0.12 0.47 -0.11 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.29 -0.75 0.00 4.61 0.00 -0.75 -1.07 121.76 123.51 1am7 s ALA 64 Ca 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1am7 s ALA 64 Cb -0.70 0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1am7 s ALA 64 CO 0.52 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1am7 n GLY 65 N 0.15 -0.54 0.28 0.00 0.00 0.82 -1.08 105.19 104.82 1am7 n GLY 65 Ca -0.17 -1.77 0.11 0.00 0.00 0.00 0.00 46.02 44.19 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 0.00 -0.21 1.61 2.43 -1.64 -1.82 114.38 114.75 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 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1am7 h ARG 66 CO 0.00 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.12 1am7 n TYR 67 N -4.39 0.63 -3.80 2.20 4.01 -1.26 -4.50 117.16 110.05 1am7 n TYR 67 Ca -0.02 -0.81 -0.33 0.00 -0.16 0.00 0.00 57.90 56.58 1am7 n TYR 67 Cb 0.15 -0.22 0.03 0.00 -0.31 0.00 0.00 39.34 38.99 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 -0.51 -1.45 -2.64 -0.72 1.13 -0.68 -4.92 117.38 107.60 1am7 n GLN 68 Ca 0.17 0.38 -0.42 0.00 -1.94 0.00 0.00 57.00 55.19 1am7 n GLN 68 Cb 0.73 -3.93 -0.03 0.00 0.11 0.00 0.00 30.24 27.12 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 -6.74 4.36 0.43 1.08 2.96 -0.24 -4.31 118.68 116.22 1am7 s LEU 69 Ca 0.39 1.74 -0.24 0.00 -0.22 0.00 0.00 54.13 55.79 1am7 s LEU 69 Cb -0.15 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.89 1am7 s LEU 69 CO 0.89 -0.33 1.20 -0.76 -1.32 0.00 0.00 176.35 176.02 1am7 s LEU 70 N 1.12 4.11 0.25 -0.68 1.43 -1.26 -1.81 118.68 121.84 1am7 s LEU 70 Ca 0.53 2.39 -0.05 0.00 -1.03 0.00 0.00 54.13 55.98 1am7 s LEU 70 Cb -0.23 -4.11 0.32 0.00 0.03 0.00 0.00 46.19 42.21 1am7 s LEU 70 CO 0.27 -0.84 1.88 0.77 0.23 0.00 0.00 176.35 178.67 1am7 h SER 71 N 2.35 0.99 -0.02 2.29 4.64 -1.96 -3.43 113.55 118.40 1am7 h SER 71 Ca -0.49 -0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.37 1am7 h SER 71 Cb 1.24 -0.22 0.11 0.00 -0.31 0.00 0.00 62.40 63.23 1am7 h SER 71 CO 0.61 0.67 1.10 -1.14 -0.87 0.00 0.00 176.83 177.20 1am7 n ARG 72 N -4.51 0.10 0.00 4.77 0.63 -1.26 -4.67 116.66 111.72 1am7 n ARG 72 Ca 0.13 -1.21 0.00 0.00 -0.92 0.00 0.00 57.85 55.85 1am7 n ARG 72 Cb 0.12 -2.85 0.00 0.00 0.45 0.00 0.00 32.46 30.17 1am7 n ARG 72 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1am7 n ASP 75 N 11.47 0.00 0.25 6.15 8.00 -1.26 -4.76 116.55 136.40 1am7 n ASP 75 Ca 0.46 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.80 1am7 n ASP 75 Cb 0.43 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.45 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 -0.59 -0.19 2.24 0.00 -1.96 -2.95 119.26 115.81 1am7 h ALA 76 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1am7 h ALA 76 Cb 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1am7 h ALA 76 CO 0.00 -0.80 -0.31 1.88 0.00 0.00 0.00 179.25 180.02 1am7 h TYR 77 N -0.65 0.43 -0.16 0.00 0.05 -1.96 -1.66 116.97 113.03 1am7 h TYR 77 Ca -0.06 -0.10 0.03 0.00 0.05 0.00 0.00 58.73 58.65 1am7 h TYR 77 Cb 0.48 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 1am7 h TYR 77 CO -0.03 0.65 -0.02 -0.09 -1.05 0.00 0.00 178.16 177.63 1am7 h ARG 78 N 0.33 0.03 0.12 4.88 2.43 -1.91 0.74 114.38 121.00 1am7 h ARG 78 Ca 0.04 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1am7 h ARG 78 Cb 0.72 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1am7 h ARG 78 CO 0.05 0.02 -0.06 -0.22 -1.51 0.00 0.00 179.97 178.26 1am7 h LYS 79 N 0.03 -0.15 -0.88 0.20 3.64 -1.37 0.07 116.57 118.11 1am7 h LYS 79 Ca 0.07 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1am7 h LYS 79 Cb 0.10 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 1am7 h LYS 79 CO -0.14 0.06 0.57 0.37 -2.27 0.00 0.00 179.45 178.04 1am7 h GLN 80 N -0.34 1.04 -0.02 1.90 4.15 -1.12 -2.84 115.11 117.89 1am7 h GLN 80 Ca -0.02 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1am7 h GLN 80 Cb 0.28 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1am7 h GLN 80 CO 0.03 0.69 -0.29 1.28 -1.93 0.00 0.00 178.83 178.61 1am7 n LEU 81 N -4.55 1.89 -2.62 -2.39 4.77 0.24 -4.98 117.00 109.35 1am7 n LEU 81 Ca 0.12 -0.64 -0.16 0.00 -0.03 0.00 0.00 56.01 55.29 1am7 n LEU 81 Cb 0.12 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1am7 n LEU 81 CO 0.33 0.34 0.16 0.61 -1.33 0.00 0.00 177.39 177.50 1am7 n GLY 82 N 1.36 -0.07 3.76 -0.72 0.00 -0.07 -4.99 105.19 104.46 1am7 n GLY 82 Ca 0.12 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.29 4.53 0.00 0.99 1.43 -0.72 -4.97 118.68 114.65 1am7 s LEU 83 Ca 0.38 1.58 0.23 0.00 -1.03 0.00 0.00 54.13 55.28 1am7 s LEU 83 Cb -0.17 -3.29 0.02 0.00 0.03 0.00 0.00 46.19 42.79 1am7 s LEU 83 CO 0.50 0.12 1.10 0.29 0.23 0.00 0.00 176.35 178.59 1am7 n LYS 84 N 2.13 0.96 -3.84 1.70 5.02 -1.26 -4.84 118.16 118.03 1am7 n LYS 84 Ca -0.04 -0.78 -0.10 0.00 -2.02 0.00 0.00 58.31 55.37 1am7 n LYS 84 Cb 0.49 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 34.04 1am7 n LYS 84 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1am7 s ASP 85 N -2.58 0.17 -0.45 4.39 1.47 -1.26 -4.92 116.67 113.49 1am7 s ASP 85 Ca 0.17 -1.25 0.04 0.00 1.18 0.00 0.00 52.55 52.69 1am7 s ASP 85 Cb 0.18 0.84 0.47 0.00 -0.34 0.00 0.00 42.92 44.07 1am7 s ASP 85 CO 0.62 -1.68 1.58 0.33 0.68 0.00 0.00 175.17 176.71 1am7 n PHE 86 N -0.55 2.75 -1.38 2.11 7.35 0.14 -4.74 117.46 123.14 1am7 n PHE 86 Ca -0.08 -2.46 -0.30 0.00 -0.76 0.00 0.00 57.45 53.85 1am7 n PHE 86 Cb 0.60 -0.82 0.12 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 -2.70 3.96 0.29 -2.13 1.04 -1.16 -4.70 113.70 108.29 1am7 s SER 87 Ca 0.56 1.39 0.03 0.00 0.48 0.00 0.00 55.95 58.41 1am7 s SER 87 Cb 0.45 -2.09 0.66 0.00 0.10 0.00 0.00 66.02 65.14 1am7 s SER 87 CO 0.02 -2.32 1.77 -0.65 0.98 0.00 0.00 173.24 173.04 1am7 h PRO 88 N -1.33 0.69 -0.62 4.02 0.11 -1.93 0.51 132.00 133.45 1am7 h PRO 88 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1am7 h PRO 88 Cb 1.28 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1am7 h PRO 88 CO 0.57 0.46 0.34 -0.22 -0.21 0.00 0.00 178.00 178.94 1am7 h LYS 89 N 0.72 0.86 -0.70 1.05 3.64 -1.98 -1.34 116.57 118.81 1am7 h LYS 89 Ca 0.53 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.79 1am7 h LYS 89 Cb 0.80 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1am7 h LYS 89 CO -0.38 0.65 0.32 0.77 -2.27 0.00 0.00 179.45 178.54 1am7 h SER 90 N 0.84 0.93 -0.72 4.20 0.02 -1.26 -1.25 113.55 116.30 1am7 h SER 90 Ca 0.22 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1am7 h SER 90 Cb 0.04 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 1am7 h SER 90 CO -0.04 0.82 0.41 1.56 -1.14 0.00 0.00 176.83 178.44 1am7 h GLN 91 N 0.98 1.00 -0.47 3.45 4.20 -0.84 -1.57 115.11 121.86 1am7 h GLN 91 Ca 0.24 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 1am7 h GLN 91 Cb 0.14 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1am7 h GLN 91 CO -0.03 0.73 0.16 -0.44 -0.67 0.00 0.00 178.83 178.58 1am7 h ASP 92 N 0.99 0.68 -0.25 1.46 3.32 -1.02 -2.48 116.42 119.12 1am7 h ASP 92 Ca 0.26 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 57.15 1am7 h ASP 92 Cb 0.01 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 1am7 h ASP 92 CO -0.04 0.70 0.01 0.00 -1.72 0.00 0.00 179.24 178.18 1am7 h ALA 93 N 1.01 0.22 -0.45 3.45 0.00 -0.72 -0.65 119.26 122.12 1am7 h ALA 93 Ca 0.15 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1am7 h ALA 93 Cb 0.25 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1am7 h ALA 93 CO -0.01 -0.41 0.24 0.28 0.00 0.00 0.00 179.25 179.35 1am7 h VAL 94 N 0.09 1.17 -0.26 0.00 2.07 -1.22 -0.64 116.25 117.45 1am7 h VAL 94 Ca 0.12 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1am7 h VAL 94 Cb 0.15 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1am7 h VAL 94 CO -0.19 0.18 0.17 0.00 0.02 0.00 0.00 177.57 177.75 1am7 h ALA 95 N 1.09 0.33 -0.62 1.67 0.00 -1.17 -1.14 119.26 119.42 1am7 h ALA 95 Ca 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1am7 h ALA 95 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1am7 h ALA 95 CO -0.02 -0.20 0.23 -0.07 0.00 0.00 0.00 179.25 179.18 1am7 h LEU 96 N 0.36 0.83 -0.61 0.00 3.38 -0.94 -1.41 115.31 116.91 1am7 h LEU 96 Ca 0.10 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1am7 h LEU 96 Cb -0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1am7 h LEU 96 CO -0.02 0.76 0.28 -0.61 0.09 0.00 0.00 178.44 178.94 1am7 h GLN 97 N 0.89 0.89 -0.42 1.13 5.75 -0.62 0.62 115.11 123.35 1am7 h GLN 97 Ca 0.21 -0.14 -0.10 0.00 -0.15 0.00 0.00 58.65 58.46 1am7 h GLN 97 Cb 0.20 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 1am7 h GLN 97 CO -0.02 0.72 -0.16 1.96 -2.65 0.00 0.00 178.83 178.69 1am7 h GLN 98 N 0.84 0.79 -0.47 1.69 4.20 -0.77 -1.08 115.11 120.31 1am7 h GLN 98 Ca 0.21 -0.29 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 1am7 h GLN 98 Cb 0.14 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1am7 h GLN 98 CO -0.02 0.90 -0.13 0.82 -0.67 0.00 0.00 178.83 179.73 1am7 h ILE 99 N 0.71 1.26 -0.28 2.54 2.04 -0.99 -2.75 117.51 120.04 1am7 h ILE 99 Ca 0.11 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 1am7 h ILE 99 Cb 0.66 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1am7 h ILE 99 CO 0.05 0.43 0.15 0.50 0.00 0.00 0.00 178.15 179.27 1am7 h LYS 100 N 0.78 0.40 -0.15 2.37 3.64 -0.43 -2.54 116.57 120.64 1am7 h LYS 100 Ca 0.12 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1am7 h LYS 100 Cb 0.65 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1am7 h LYS 100 CO 0.05 0.36 0.06 0.93 -2.27 0.00 0.00 179.45 178.57 1am7 h GLU 101 N 0.33 0.20 -0.21 1.90 5.08 -1.07 -1.58 114.58 119.22 1am7 h GLU 101 Ca 0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1am7 h GLU 101 Cb 0.08 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1am7 h GLU 101 CO -0.01 0.17 0.00 0.54 -1.00 0.00 0.00 179.01 178.70 1am7 n ARG 102 N -4.48 1.56 -1.95 2.33 3.00 -1.05 -4.93 116.66 111.14 1am7 n ARG 102 Ca -0.01 -0.86 -0.13 0.00 -0.01 0.00 0.00 57.85 56.85 1am7 n ARG 102 Cb 0.11 -1.24 -0.02 0.00 0.00 0.00 0.00 32.46 31.31 1am7 n ARG 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1am7 n GLY 103 N 0.93 0.35 0.04 -0.13 0.00 -0.59 -4.93 105.19 100.86 1am7 n GLY 103 Ca 0.10 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.65 3.32 -0.09 4.61 0.00 -0.98 -4.48 120.51 122.24 1am7 n ALA 104 Ca -0.14 -0.39 -0.06 0.00 0.00 0.00 0.00 53.44 52.85 1am7 n ALA 104 Cb 0.55 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.36 -1.34 0.00 3.38 -1.86 0.02 115.31 115.15 1am7 h LEU 105 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1am7 h LEU 105 Cb 0.75 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1am7 h LEU 105 CO 0.00 -0.13 0.40 -0.65 0.09 0.00 0.00 178.44 178.15 1am7 h PRO 106 N -0.03 0.84 -0.53 1.13 0.11 -1.96 0.72 132.00 132.28 1am7 h PRO 106 Ca 0.16 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.16 1am7 h PRO 106 Cb 0.27 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 1am7 h PRO 106 CO -0.35 0.57 0.13 0.52 -0.21 0.00 0.00 178.00 178.66 1am7 h MET 107 N 0.86 0.85 0.08 1.05 2.86 -1.50 -1.36 114.93 117.77 1am7 h MET 107 Ca 0.23 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1am7 h MET 107 Cb -0.06 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.48 1am7 h MET 107 CO -0.05 0.80 -0.04 0.82 1.06 0.00 0.00 176.91 179.51 1am7 h ILE 108 N 0.74 1.11 -0.98 -1.22 2.04 -0.26 0.21 117.51 119.15 1am7 h ILE 108 Ca 0.17 -0.67 0.12 0.00 1.00 0.00 0.00 64.86 65.48 1am7 h ILE 108 Cb 0.33 1.54 -0.08 0.00 -0.74 0.00 0.00 36.82 37.87 1am7 h ILE 108 CO 0.00 0.16 0.62 0.44 0.00 0.00 0.00 178.15 179.38 1am7 h ASP 109 N -0.40 0.89 0.43 1.72 3.32 -0.80 -1.42 116.42 120.16 1am7 h ASP 109 Ca -0.01 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1am7 h ASP 109 Cb 0.35 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1am7 h ASP 109 CO 0.02 0.47 -0.22 -2.11 -1.72 0.00 0.00 179.24 175.68 1am7 n ARG 110 N -4.60 0.49 -0.28 3.56 1.85 -0.52 -4.94 116.66 112.21 1am7 n ARG 110 Ca 0.18 -0.22 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 1am7 n ARG 110 Cb 0.36 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.28 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 1.37 0.86 2.89 2.89 0.00 -0.53 -4.54 105.19 108.13 1am7 n GLY 111 Ca 0.11 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 0.03 5.15 -0.18 1.61 8.00 0.69 -1.33 116.55 130.51 1am7 n ASP 112 Ca 0.00 -3.12 -0.07 0.00 0.71 0.00 0.00 54.79 52.31 1am7 n ASP 112 Cb 0.00 -1.47 0.07 0.00 -0.02 0.00 0.00 41.12 39.70 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 3.76 1.26 -0.85 0.53 1.08 -1.90 -2.33 117.51 119.05 1am7 h ILE 113 Ca 0.38 -1.10 0.03 0.00 -0.39 0.00 0.00 64.86 63.78 1am7 h ILE 113 Cb 0.64 0.80 -0.05 0.00 -3.07 0.00 0.00 36.82 35.14 1am7 h ILE 113 CO 1.60 0.40 0.56 -0.09 -0.69 0.00 0.00 178.15 179.93 1am7 h ARG 114 N 0.91 1.03 -0.12 2.37 2.43 -1.96 0.16 114.38 119.20 1am7 h ARG 114 Ca 0.17 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.13 1am7 h ARG 114 Cb 0.52 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1am7 h ARG 114 CO 0.03 0.68 -0.50 1.96 -1.51 0.00 0.00 179.97 180.63 1am7 h GLN 115 N 1.06 0.56 -0.74 0.20 4.20 -1.92 -2.40 115.11 116.06 1am7 h GLN 115 Ca 0.34 -0.44 0.01 0.00 0.06 0.00 0.00 58.65 58.62 1am7 h GLN 115 Cb 0.02 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 1am7 h GLN 115 CO -0.10 1.06 0.49 0.00 -0.67 0.00 0.00 178.83 179.61 1am7 h ALA 116 N 0.50 0.94 -0.42 3.87 0.00 -0.83 -0.59 119.26 122.73 1am7 h ALA 116 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1am7 h ALA 116 Cb 1.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1am7 h ALA 116 CO 0.11 0.36 0.28 0.82 0.00 0.00 0.00 179.25 180.81 1am7 h ILE 117 N 1.00 1.11 -0.39 0.00 2.04 -0.63 -0.85 117.51 119.80 1am7 h ILE 117 Ca 0.27 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1am7 h ILE 117 Cb -0.11 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1am7 h ILE 117 CO -0.06 0.10 0.21 -0.78 0.00 0.00 0.00 178.15 177.63 1am7 h ASP 118 N 0.57 0.48 -0.28 1.72 3.58 -1.07 -1.11 116.42 120.30 1am7 h ASP 118 Ca 0.16 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 1am7 h ASP 118 Cb -0.06 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 1am7 h ASP 118 CO -0.04 0.43 0.09 0.03 -2.88 0.00 0.00 179.24 176.87 1am7 h ARG 119 N 0.49 0.52 -0.01 0.28 2.47 -0.74 -2.82 114.38 114.57 1am7 h ARG 119 Ca 0.14 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1am7 h ARG 119 Cb 0.05 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 1am7 h ARG 119 CO -0.02 0.48 -0.17 0.00 0.56 0.00 0.00 179.97 180.82 1am7 h SER 121 N 1.06 0.00 1.68 0.00 4.64 -0.95 -1.00 113.55 118.98 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 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1am7 h SER 121 CO 0.00 0.00 0.00 -1.13 -0.87 0.00 0.00 176.83 174.83 1am7 h ASN 122 N 0.00 0.00 -0.67 4.97 -0.73 -1.78 -3.39 115.58 113.98 1am7 h ASN 122 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1am7 h ASN 122 Cb 0.16 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.75 1am7 h ASN 122 CO 0.00 0.00 0.00 -0.38 -0.37 0.00 0.00 177.43 176.68 1am7 n ILE 123 N -3.08 1.66 0.00 2.57 5.41 -0.38 -5.15 119.36 120.39 1am7 n ILE 123 Ca 0.03 -1.16 0.00 0.00 1.00 0.00 0.00 62.75 62.62 1am7 n ILE 123 Cb 0.46 0.21 0.00 0.00 -0.71 0.00 0.00 39.64 39.59 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 1.23 0.94 0.61 -1.39 0.00 -1.26 -5.11 120.51 115.53 1am7 n ALA 125 Ca 0.26 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.82 1am7 n ALA 125 Cb 0.83 0.02 0.30 0.00 0.00 0.00 0.00 19.45 20.60 1am7 n ALA 125 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1am7 n SER 126 N -0.72 0.76 -4.67 0.00 3.41 -1.26 -4.70 113.62 106.44 1am7 n SER 126 Ca 0.00 0.36 -0.43 0.00 -0.26 0.00 0.00 58.87 58.54 1am7 n SER 126 Cb 0.04 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.61 1am7 n SER 126 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1am7 s LEU 127 N -4.37 4.19 -0.28 1.04 1.43 -1.26 -2.51 118.68 116.92 1am7 s LEU 127 Ca 0.09 1.66 -0.40 0.00 -1.03 0.00 0.00 54.13 54.44 1am7 s LEU 127 Cb 0.13 -3.54 -0.18 0.00 0.03 0.00 0.00 46.19 42.63 1am7 s LEU 127 CO 0.65 -0.69 1.26 -0.81 0.23 0.00 0.00 176.35 176.99 1am7 n PRO 128 N 6.14 0.00 0.00 1.29 -0.04 -1.26 -0.47 135.00 140.66 1am7 n PRO 128 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1am7 n PRO 128 Cb 0.46 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1am7 n PRO 128 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1am7 n GLY 129 N 2.74 0.73 0.33 0.55 0.00 -1.26 -4.83 105.19 103.46 1am7 n GLY 129 Ca 0.24 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.43 1am7 n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1am7 h ALA 130 N 0.00 1.65 0.00 4.61 0.00 -0.97 -3.46 119.26 121.09 1am7 h ALA 130 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1am7 h ALA 130 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1am7 h ALA 130 CO 0.00 -0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.28 1am7 n GLY 131 N -1.32 0.65 4.01 0.00 0.00 -1.26 -4.89 105.19 102.39 1am7 n GLY 131 Ca 0.26 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 1am7 n GLY 131 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1am7 s TYR 132 N -2.00 1.70 -2.00 1.61 1.51 -1.26 -4.98 117.35 111.93 1am7 s TYR 132 Ca 0.00 -0.48 0.28 0.00 -1.01 0.00 0.00 57.07 55.86 1am7 s TYR 132 Cb 0.00 -2.56 1.68 0.00 -0.11 0.00 0.00 41.96 40.97 1am7 s TYR 132 CO 0.00 -1.28 2.02 0.41 -1.11 0.00 0.00 175.55 175.59 1am7 n GLY 133 N -2.44 -0.88 3.84 0.71 0.00 -1.26 -4.88 105.19 100.28 1am7 n GLY 133 Ca 0.14 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1am7 n GLY 133 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1am7 s GLN 134 N -2.00 2.29 0.24 1.61 -0.21 -1.26 -5.01 119.66 115.32 1am7 s GLN 134 Ca 0.42 0.52 -0.30 0.00 0.02 0.00 0.00 55.36 56.02 1am7 s GLN 134 Cb 0.19 -1.95 -0.09 0.00 1.00 0.00 0.00 33.01 32.16 1am7 s GLN 134 CO 0.33 -1.45 1.33 0.12 -2.12 0.00 0.00 175.29 173.49 1am7 s PHE 135 N -3.26 3.18 -0.08 0.91 5.36 -1.26 -5.01 117.98 117.81 1am7 s PHE 135 Ca 0.60 1.24 0.04 0.00 -0.96 0.00 0.00 56.93 57.86 1am7 s PHE 135 Cb -0.13 -3.65 0.00 0.00 -0.34 0.00 0.00 43.02 38.90 1am7 s PHE 135 CO 0.53 -1.98 -0.22 -1.21 -1.46 0.00 0.00 175.22 170.88 1am7 s GLU 136 N -0.60 2.69 0.65 10.12 2.02 -1.26 -4.53 118.70 127.78 1am7 s GLU 136 Ca 0.55 -0.79 -0.14 0.00 0.02 0.00 0.00 54.97 54.61 1am7 s GLU 136 Cb -0.38 -2.09 -0.01 0.00 0.10 0.00 0.00 34.13 31.75 1am7 s GLU 136 CO 0.43 0.19 1.07 -1.01 0.02 0.00 0.00 175.26 175.96 1am7 s HIS 137 N 0.30 2.88 0.48 1.61 3.76 -1.05 -4.88 115.29 118.38 1am7 s HIS 137 Ca -0.15 1.51 -0.19 0.00 -0.15 0.00 0.00 55.06 56.08 1am7 s HIS 137 Cb -0.17 -3.02 -0.09 0.00 1.11 0.00 0.00 32.58 30.41 1am7 s HIS 137 CO 0.07 -1.36 0.98 0.15 -0.85 0.00 0.00 174.74 173.73 1am7 s LYS 138 N -4.38 4.00 0.32 1.40 1.02 -1.26 -4.09 119.74 116.75 1am7 s LYS 138 Ca 0.63 1.08 0.03 0.00 0.02 0.00 0.00 55.97 57.73 1am7 s LYS 138 Cb -0.17 -2.14 0.61 0.00 -0.52 0.00 0.00 37.83 35.61 1am7 s LYS 138 CO 0.44 -0.23 1.90 0.00 -0.92 0.00 0.00 175.35 176.55 1am7 h ALA 139 N 1.36 1.59 -0.30 5.17 0.00 -1.98 -2.02 119.26 123.08 1am7 h ALA 139 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1am7 h ALA 139 Cb 1.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1am7 h ALA 139 CO 0.61 0.25 0.20 -0.44 0.00 0.00 0.00 179.25 179.86 1am7 h ASP 140 N 0.93 0.34 -0.66 0.00 5.19 -1.99 0.23 116.42 120.47 1am7 h ASP 140 Ca 0.40 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.75 1am7 h ASP 140 Cb 0.32 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.71 1am7 h ASP 140 CO -0.16 0.25 0.22 0.28 -3.12 0.00 0.00 179.24 176.71 1am7 h SER 141 N 0.41 0.97 -0.25 6.45 0.02 -1.85 -0.57 113.55 118.73 1am7 h SER 141 Ca 0.11 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 1am7 h SER 141 Cb -0.05 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 1am7 h SER 141 CO -0.02 0.90 0.02 -0.07 -1.14 0.00 0.00 176.83 176.52 1am7 h LEU 142 N 1.01 0.41 -1.05 5.07 3.38 -0.69 -1.52 115.31 121.92 1am7 h LEU 142 Ca 0.22 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1am7 h LEU 142 Cb 0.28 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1am7 h LEU 142 CO -0.01 0.59 0.22 0.40 0.09 0.00 0.00 178.44 179.73 1am7 h ILE 143 N 0.22 1.22 -0.36 1.22 2.04 -0.35 0.34 117.51 121.84 1am7 h ILE 143 Ca 0.07 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1am7 h ILE 143 Cb 0.37 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1am7 h ILE 143 CO 0.01 0.28 0.17 0.00 0.00 0.00 0.00 178.15 178.61 1am7 h ALA 144 N 1.36 0.47 -0.63 1.87 0.00 -0.91 -0.58 119.26 120.85 1am7 h ALA 144 Ca 0.20 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1am7 h ALA 144 Cb 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1am7 h ALA 144 CO -0.01 0.04 0.15 -0.22 0.00 0.00 0.00 179.25 179.20 1am7 h LYS 145 N 0.45 0.99 -0.62 0.00 1.63 -0.84 -0.91 116.57 117.27 1am7 h LYS 145 Ca 0.12 -0.22 -0.03 0.00 -0.85 0.00 0.00 60.65 59.68 1am7 h LYS 145 Cb 0.13 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 1am7 h LYS 145 CO -0.01 0.88 0.28 0.35 -3.45 0.00 0.00 179.45 177.50 1am7 h PHE 146 N 0.94 0.91 -0.38 1.91 3.57 -0.55 -2.23 116.94 121.10 1am7 h PHE 146 Ca 0.20 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.52 1am7 h PHE 146 Cb 0.34 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1am7 h PHE 146 CO 0.02 0.70 -0.26 0.87 -2.23 0.00 0.00 178.31 177.41 1am7 h LYS 147 N 0.86 0.80 0.00 1.11 1.57 -0.61 -1.68 116.57 118.61 1am7 h LYS 147 Ca 0.21 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1am7 h LYS 147 Cb 0.14 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1am7 h LYS 147 CO -0.02 0.97 0.00 1.05 -0.57 0.00 0.00 179.45 180.87 1am7 h GLU 148 N 0.68 0.00 -0.02 3.15 4.11 -0.98 -0.87 114.58 120.65 1am7 h GLU 148 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1am7 h GLU 148 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1am7 h GLU 148 CO 0.07 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.15 1am7 n ALA 149 N -1.92 2.63 -0.09 1.06 0.00 -0.86 -4.86 120.51 116.47 1am7 n ALA 149 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.20 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 0.99 0.73 3.84 0.00 0.00 -0.33 -4.63 105.19 105.78 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 -1.51 2.20 -0.16 -0.02 0.00 -0.67 -4.90 107.32 102.27 1am7 s GLY 151 Ca 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 44.72 44.88 1am7 s GLY 151 CO 0.00 0.45 -0.05 -0.51 0.00 0.00 0.00 173.10 173.00 1am7 s THR 152 N -2.36 3.79 0.06 0.90 -4.23 -1.26 -4.24 115.64 108.30 1am7 s THR 152 Ca 0.58 -0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 1am7 s THR 152 Cb -0.10 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 1am7 s THR 152 CO 0.23 0.49 0.20 -0.69 -0.54 0.00 0.00 174.62 174.31 1am7 s VAL 153 N 0.41 5.33 -2.65 2.29 1.01 -1.26 -4.35 120.40 121.18 1am7 s VAL 153 Ca -0.04 -0.41 0.27 0.00 0.00 0.00 0.00 61.98 61.80 1am7 s VAL 153 Cb -0.14 -3.59 0.44 0.00 0.00 0.00 0.00 36.38 33.08 1am7 s VAL 153 CO 0.03 0.15 1.60 -1.14 0.00 0.00 0.00 175.10 175.74