#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7at1 s VAL 9 N 0.00 4.95 0.00 1.61 0.11 -1.26 -4.67 120.40 121.14 7at1 s VAL 9 Ca 0.00 -2.05 0.00 0.00 -2.93 0.00 0.00 61.98 57.00 7at1 s VAL 9 Cb 0.00 -4.78 0.00 0.00 -1.53 0.00 0.00 36.38 30.07 7at1 s VAL 9 CO 0.00 -1.49 0.00 1.21 -3.33 0.00 0.00 175.10 171.49 7at1 n GLU 10 N 5.89 0.00 -3.64 1.54 4.07 -1.26 -5.09 120.64 122.15 7at1 n GLU 10 Ca 0.27 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.30 7at1 n GLU 10 Cb 0.47 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.78 7at1 n GLU 10 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 7at1 s ALA 11 N -1.00 -2.10 0.02 4.31 0.00 -1.26 -5.16 121.76 116.57 7at1 s ALA 11 Ca 0.00 1.97 0.02 0.00 0.00 0.00 0.00 51.96 53.95 7at1 s ALA 11 Cb 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 7at1 s ALA 11 CO 0.00 -0.26 -0.07 0.96 0.00 0.00 0.00 175.76 176.39 7at1 s ILE 12 N 0.58 0.50 -0.01 0.00 -4.36 -1.26 -5.05 121.20 111.59 7at1 s ILE 12 Ca -0.00 -0.62 -0.05 0.00 -0.26 0.00 0.00 60.65 59.72 7at1 s ILE 12 Cb -0.05 -0.49 -0.03 0.00 1.25 0.00 0.00 42.46 43.15 7at1 s ILE 12 CO -0.10 -0.10 0.47 0.50 0.24 0.00 0.00 174.94 175.95 7at1 h LYS 13 N 5.34 -0.16 -6.57 0.37 3.64 -1.94 -3.25 116.57 114.00 7at1 h LYS 13 Ca -0.32 0.01 -0.65 0.00 -1.27 0.00 0.00 60.65 58.43 7at1 h LYS 13 Cb 1.20 0.04 -0.17 0.00 -0.41 0.00 0.00 32.23 32.88 7at1 h LYS 13 CO 0.46 -0.11 -0.79 0.50 -2.27 0.00 0.00 179.45 177.24 7at1 s ARG 14 N -2.26 1.70 0.00 1.90 3.52 -1.26 0.24 118.95 122.79 7at1 s ARG 14 Ca -0.02 -1.43 0.00 0.00 -0.13 0.00 0.00 55.73 54.15 7at1 s ARG 14 Cb 0.00 -1.96 0.00 0.00 -1.56 0.00 0.00 34.95 31.44 7at1 s ARG 14 CO 0.07 0.41 0.00 0.41 -0.81 0.00 0.00 175.30 175.39 7at1 n GLY 15 N 0.22 -0.50 3.38 8.12 0.00 -0.26 0.19 105.19 116.34 7at1 n GLY 15 Ca -0.12 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 7at1 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 7at1 s THR 16 N -1.92 2.43 -0.13 2.61 2.01 -0.70 -0.60 115.64 119.33 7at1 s THR 16 Ca 0.00 -1.08 0.03 0.00 0.31 0.00 0.00 61.69 60.95 7at1 s THR 16 Cb 0.00 -1.92 0.01 0.00 0.01 0.00 0.00 72.50 70.60 7at1 s THR 16 CO 0.00 0.50 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.52 7at1 s VAL 17 N -0.73 2.08 -0.42 3.82 1.01 -0.40 -1.99 120.40 123.78 7at1 s VAL 17 Ca 0.11 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 7at1 s VAL 17 Cb -0.10 -1.82 0.06 0.00 0.00 0.00 0.00 36.38 34.52 7at1 s VAL 17 CO 0.01 0.55 0.27 -0.63 0.00 0.00 0.00 175.10 175.30 7at1 s ILE 18 N 0.74 4.51 0.48 2.22 1.01 -0.61 -0.63 121.20 128.92 7at1 s ILE 18 Ca -0.09 -1.19 0.08 0.00 0.00 0.00 0.00 60.65 59.45 7at1 s ILE 18 Cb -0.16 -3.68 0.03 0.00 0.01 0.00 0.00 42.46 38.66 7at1 s ILE 18 CO -0.00 -0.44 0.56 -0.62 0.00 0.00 0.00 174.94 174.43 7at1 s ASP 19 N 2.05 5.17 -1.48 3.58 3.68 -0.33 -2.07 116.67 127.26 7at1 s ASP 19 Ca 0.03 -0.76 -0.07 0.00 2.13 0.00 0.00 52.55 53.87 7at1 s ASP 19 Cb -0.22 -0.19 0.02 0.00 -1.45 0.00 0.00 42.92 41.08 7at1 s ASP 19 CO 0.04 -0.95 0.72 1.41 0.13 0.00 0.00 175.17 176.52 7at1 n HIS 20 N -1.87 -2.14 -2.92 -5.34 8.25 -1.26 -1.45 115.22 108.50 7at1 n HIS 20 Ca 0.08 0.63 -0.40 0.00 -0.26 0.00 0.00 57.72 57.76 7at1 n HIS 20 Cb 0.61 -4.32 -0.04 0.00 1.12 0.00 0.00 29.99 27.36 7at1 n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 7at1 s ILE 21 N -3.18 4.87 0.60 1.59 1.01 -1.06 -3.08 121.20 121.94 7at1 s ILE 21 Ca 0.40 1.69 -0.20 0.00 0.00 0.00 0.00 60.65 62.54 7at1 s ILE 21 Cb -0.18 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 7at1 s ILE 21 CO 0.49 0.27 1.32 -2.84 0.00 0.00 0.00 174.94 174.18 7at1 s PRO 22 N 0.52 2.86 0.25 2.79 0.02 -1.26 -0.05 135.00 140.12 7at1 s PRO 22 Ca 0.42 2.14 -0.31 0.00 0.02 0.00 0.00 61.00 63.27 7at1 s PRO 22 Cb -0.20 -2.05 -0.13 0.00 0.02 0.00 0.00 34.50 32.14 7at1 s PRO 22 CO 0.23 -1.38 1.39 0.00 -0.33 0.00 0.00 177.00 176.91 7at1 n ALA 23 N -1.47 1.09 0.00 -1.55 0.00 -1.22 -1.54 120.51 115.82 7at1 n ALA 23 Ca 0.13 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.98 7at1 n ALA 23 Cb 0.47 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.65 7at1 n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 7at1 n GLN 24 N 1.93 0.00 -0.10 0.00 3.00 -1.26 -4.84 117.38 116.11 7at1 n GLN 24 Ca 0.11 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.12 7at1 n GLN 24 Cb 0.32 -1.03 0.34 0.00 0.00 0.00 0.00 30.24 29.86 7at1 n GLN 24 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 7at1 h ILE 25 N 0.00 1.15 -0.87 5.09 1.08 -1.64 -3.25 117.51 119.07 7at1 h ILE 25 Ca 0.00 -0.29 0.15 0.00 -0.39 0.00 0.00 64.86 64.33 7at1 h ILE 25 Cb 0.00 0.33 -0.15 0.00 -3.07 0.00 0.00 36.82 33.93 7at1 h ILE 25 CO 0.00 0.15 -0.33 1.23 -0.69 0.00 0.00 178.15 178.51 7at1 h GLY 26 N 0.78 0.19 1.42 5.37 0.00 -1.88 0.29 103.07 109.24 7at1 h GLY 26 Ca 0.21 0.44 -0.12 0.00 0.00 0.00 0.00 47.33 47.85 7at1 h GLY 26 CO -0.04 -0.24 -0.31 -2.75 0.00 0.00 0.00 176.54 173.19 7at1 h PHE 27 N -0.04 0.75 -0.52 5.60 3.04 -1.94 -1.49 116.94 122.35 7at1 h PHE 27 Ca 0.34 -0.19 -0.05 0.00 3.98 0.00 0.00 57.97 62.05 7at1 h PHE 27 Cb 0.60 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 7at1 h PHE 27 CO -0.77 0.88 0.12 0.87 -2.02 0.00 0.00 178.31 177.39 7at1 h LYS 28 N 0.56 0.83 -0.58 1.11 1.57 -1.15 -2.17 116.57 116.74 7at1 h LYS 28 Ca 0.07 -0.21 0.05 0.00 -1.87 0.00 0.00 60.65 58.69 7at1 h LYS 28 Cb 0.81 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.96 7at1 h LYS 28 CO 0.07 0.80 0.31 -0.07 -0.57 0.00 0.00 179.45 179.99 7at1 h LEU 29 N 0.72 0.45 -0.62 2.94 3.38 -0.56 0.38 115.31 122.00 7at1 h LEU 29 Ca 0.16 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.25 7at1 h LEU 29 Cb 0.35 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 7at1 h LEU 29 CO 0.00 0.30 0.27 0.25 0.09 0.00 0.00 178.44 179.35 7at1 h LEU 30 N 0.58 0.32 0.07 1.67 7.12 -1.05 -0.51 115.31 123.52 7at1 h LEU 30 Ca 0.26 0.06 -0.00 0.00 0.13 0.00 0.00 57.88 58.33 7at1 h LEU 30 Cb 0.16 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.31 7at1 h LEU 30 CO -0.17 0.20 -0.03 0.28 -0.13 0.00 0.00 178.44 178.58 7at1 h SER 31 N 0.48 -0.08 -0.48 1.25 0.02 -0.54 -2.38 113.55 111.83 7at1 h SER 31 Ca 0.30 -0.42 0.09 0.00 -0.84 0.00 0.00 61.79 60.92 7at1 h SER 31 Cb 0.33 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.81 7at1 h SER 31 CO -0.27 0.40 0.02 -0.07 -1.14 0.00 0.00 176.83 175.78 7at1 h LEU 32 N -0.59 -0.15 -2.38 5.07 3.38 -0.07 -1.73 115.31 118.84 7at1 h LEU 32 Ca -0.01 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.07 7at1 h LEU 32 Cb 0.50 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.43 7at1 h LEU 32 CO 0.02 -0.04 0.00 0.49 0.09 0.00 0.00 178.44 178.99 7at1 n PHE 33 N -5.20 1.14 -2.49 1.13 0.99 -0.22 -4.90 117.46 107.92 7at1 n PHE 33 Ca 0.05 -0.41 -0.07 0.00 -0.00 0.00 0.00 57.45 57.02 7at1 n PHE 33 Cb 0.25 -0.29 -0.00 0.00 -1.00 0.00 0.00 39.48 38.44 7at1 n PHE 33 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 7at1 n LYS 34 N 0.45 -2.61 0.12 -1.08 4.76 -0.65 -4.77 118.16 114.37 7at1 n LYS 34 Ca 0.16 0.31 0.10 0.00 -2.87 0.00 0.00 58.31 56.00 7at1 n LYS 34 Cb 0.74 -4.86 0.45 0.00 -1.84 0.00 0.00 35.03 29.53 7at1 n LYS 34 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 7at1 n LEU 35 N -2.68 0.48 0.17 -0.35 4.77 -0.92 -1.23 117.00 117.24 7at1 n LEU 35 Ca -0.07 0.67 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 7at1 n LEU 35 Cb 0.56 -0.67 0.40 0.00 -2.33 0.00 0.00 43.42 41.38 7at1 n LEU 35 CO 0.10 -0.69 0.88 0.71 -1.33 0.00 0.00 177.39 177.05 7at1 h THR 36 N 0.00 0.00 0.00 -5.08 1.35 -1.86 -3.36 112.91 103.96 7at1 h THR 36 Ca 0.00 -0.57 -0.21 0.00 -0.55 0.00 0.00 66.41 65.08 7at1 h THR 36 Cb 0.15 1.52 -0.05 0.00 -1.73 0.00 0.00 68.15 68.04 7at1 h THR 36 CO 0.00 0.00 0.17 -0.62 -0.25 0.00 0.00 175.52 174.82 7at1 n GLU 37 N -2.60 1.87 -4.38 4.72 4.71 -0.36 -4.86 120.64 119.74 7at1 n GLU 37 Ca 0.04 -0.98 -0.22 0.00 -0.01 0.00 0.00 57.16 55.99 7at1 n GLU 37 Cb 0.40 -2.01 -0.08 0.00 -1.01 0.00 0.00 31.44 28.73 7at1 n GLU 37 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 7at1 s THR 38 N 1.44 0.27 0.00 2.62 -1.32 -1.26 -5.05 115.64 112.35 7at1 s THR 38 Ca 0.57 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.05 7at1 s THR 38 Cb 0.26 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.81 7at1 s THR 38 CO -0.01 0.00 0.30 -0.67 -2.21 0.00 0.00 174.62 172.03 7at1 n ASP 39 N -1.33 0.60 -4.98 8.08 2.03 -1.26 -5.10 116.55 114.59 7at1 n ASP 39 Ca 0.01 -0.90 -0.20 0.00 0.52 0.00 0.00 54.79 54.22 7at1 n ASP 39 Cb 0.64 0.11 0.02 0.00 -0.72 0.00 0.00 41.12 41.17 7at1 n ASP 39 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 7at1 s GLN 40 N -0.11 2.72 0.12 -0.67 1.11 -1.26 -5.01 119.66 116.56 7at1 s GLN 40 Ca 0.00 -0.91 -0.31 0.00 0.01 0.00 0.00 55.36 54.14 7at1 s GLN 40 Cb 0.00 -2.60 -0.09 0.00 -1.01 0.00 0.00 33.01 29.31 7at1 s GLN 40 CO 0.00 -0.48 1.50 0.50 0.01 0.00 0.00 175.29 176.82 7at1 s ARG 41 N -4.57 4.26 -0.05 2.91 3.00 -1.26 -4.81 118.95 118.42 7at1 s ARG 41 Ca 0.55 2.22 0.05 0.00 -1.00 0.00 0.00 55.73 57.55 7at1 s ARG 41 Cb -0.10 -3.30 -0.01 0.00 0.00 0.00 0.00 34.95 31.54 7at1 s ARG 41 CO 0.36 -0.56 -0.22 0.42 0.00 0.00 0.00 175.30 175.30 7at1 s ILE 42 N 1.50 1.79 -0.13 4.11 1.01 -1.26 -0.98 121.20 127.23 7at1 s ILE 42 Ca 0.68 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 60.43 7at1 s ILE 42 Cb -0.39 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.57 7at1 s ILE 42 CO 0.31 0.50 -0.20 -0.89 0.00 0.00 0.00 174.94 174.66 7at1 s THR 43 N -0.10 1.88 -0.18 2.92 2.01 -0.41 -4.97 115.64 116.80 7at1 s THR 43 Ca -0.03 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.11 7at1 s THR 43 Cb -0.13 -1.68 0.01 0.00 0.01 0.00 0.00 72.50 70.72 7at1 s THR 43 CO 0.03 0.52 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.66 7at1 s ILE 44 N 0.90 2.26 -0.46 1.82 1.09 -1.26 0.20 121.20 125.76 7at1 s ILE 44 Ca -0.06 -0.88 -0.12 0.00 -1.10 0.00 0.00 60.65 58.49 7at1 s ILE 44 Cb -0.15 -1.96 0.10 0.00 -1.06 0.00 0.00 42.46 39.39 7at1 s ILE 44 CO -0.03 0.53 0.35 -0.83 -0.10 0.00 0.00 174.94 174.86 7at1 s GLY 45 N 1.20 2.02 -0.18 6.18 0.00 0.36 -4.98 107.32 111.94 7at1 s GLY 45 Ca 0.02 -2.30 -0.16 0.00 0.00 0.00 0.00 44.72 42.29 7at1 s GLY 45 CO -0.09 1.06 0.39 1.08 0.00 0.00 0.00 173.10 175.54 7at1 s LEU 46 N 1.49 4.20 -0.94 0.66 1.43 -1.26 -0.47 118.68 123.79 7at1 s LEU 46 Ca 0.04 0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 53.69 7at1 s LEU 46 Cb -0.25 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 7at1 s LEU 46 CO 0.03 -0.02 0.80 -3.20 0.23 0.00 0.00 176.35 174.19 7at1 n ASN 47 N 4.11 -4.19 -4.87 2.29 5.15 -1.06 -5.01 115.26 111.66 7at1 n ASN 47 Ca -0.09 -0.56 -0.30 0.00 -0.60 0.00 0.00 54.58 53.02 7at1 n ASN 47 Cb 0.51 -4.43 -0.04 0.00 -0.53 0.00 0.00 39.78 35.30 7at1 n ASN 47 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 7at1 s LEU 48 N -5.29 3.90 0.65 1.20 1.43 0.38 -4.83 118.68 116.12 7at1 s LEU 48 Ca 0.22 1.11 -0.18 0.00 -1.03 0.00 0.00 54.13 54.24 7at1 s LEU 48 Cb -0.03 -3.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 7at1 s LEU 48 CO 0.62 -0.33 1.29 -2.84 0.23 0.00 0.00 176.35 175.31 7at1 s PRO 49 N -3.64 2.52 -0.48 1.29 0.02 -1.24 -0.73 135.00 132.74 7at1 s PRO 49 Ca 0.51 2.05 0.07 0.00 0.02 0.00 0.00 61.00 63.65 7at1 s PRO 49 Cb -0.10 -1.84 0.18 0.00 0.02 0.00 0.00 34.50 32.76 7at1 s PRO 49 CO 0.29 -1.62 0.66 -1.54 -0.33 0.00 0.00 177.00 174.46 7at1 s SER 50 N -1.42 -1.18 0.00 2.53 1.04 0.28 -4.65 113.70 110.30 7at1 s SER 50 Ca 0.82 -1.57 0.00 0.00 0.48 0.00 0.00 55.95 55.68 7at1 s SER 50 Cb -0.37 1.71 0.00 0.00 0.10 0.00 0.00 66.02 67.46 7at1 s SER 50 CO 0.40 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.13 7at1 n GLY 51 N 3.37 0.00 0.22 7.32 0.00 -1.26 0.12 105.19 114.95 7at1 n GLY 51 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 7at1 n GLY 51 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 7at1 h GLU 52 N 0.00 0.00 0.00 1.61 9.09 -2.03 -3.30 114.58 119.95 7at1 h GLU 52 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 7at1 h GLU 52 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 7at1 h GLU 52 CO 0.00 0.23 -0.11 -1.33 0.05 0.00 0.00 179.01 177.85 7at1 n MET 53 N -4.12 0.35 0.00 1.06 2.81 0.29 -5.08 117.12 112.43 7at1 n MET 53 Ca -0.02 -0.79 0.00 0.00 -1.81 0.00 0.00 57.70 55.08 7at1 n MET 53 Cb 0.30 -0.59 0.00 0.00 -0.71 0.00 0.00 33.22 32.22 7at1 n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 7at1 n GLY 54 N -0.10 0.89 3.58 3.03 0.00 0.32 -4.77 105.19 108.14 7at1 n GLY 54 Ca 0.01 0.38 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 7at1 n GLY 54 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 7at1 s ARG 55 N 0.00 3.85 0.21 1.61 1.70 -1.26 0.99 118.95 126.05 7at1 s ARG 55 Ca 0.00 -0.42 0.03 0.00 -0.47 0.00 0.00 55.73 54.88 7at1 s ARG 55 Cb 0.00 -3.10 -0.05 0.00 -0.57 0.00 0.00 34.95 31.23 7at1 s ARG 55 CO 0.00 0.25 -0.02 -1.59 -1.08 0.00 0.00 175.30 172.86 7at1 s LYS 56 N 0.40 1.26 0.21 3.89 -2.85 0.09 -3.46 119.74 119.28 7at1 s LYS 56 Ca 0.00 -1.62 0.10 0.00 -1.00 0.00 0.00 55.97 53.46 7at1 s LYS 56 Cb -0.13 -0.57 -0.04 0.00 -2.06 0.00 0.00 37.83 35.02 7at1 s LYS 56 CO 0.01 -0.07 -0.16 -0.51 0.10 0.00 0.00 175.35 174.72 7at1 s ASP 57 N -3.26 3.87 -0.06 0.03 -0.00 0.93 -0.47 116.67 117.71 7at1 s ASP 57 Ca 0.26 -0.77 -0.02 0.00 -0.00 0.00 0.00 52.55 52.02 7at1 s ASP 57 Cb 0.05 -0.49 0.04 0.00 -0.00 0.00 0.00 42.92 42.52 7at1 s ASP 57 CO 0.07 0.09 0.11 -0.22 -0.00 0.00 0.00 175.17 175.21 7at1 s LEU 58 N -2.97 0.40 -0.07 1.23 2.96 0.38 -2.57 118.68 118.04 7at1 s LEU 58 Ca 0.25 0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.38 7at1 s LEU 58 Cb -0.08 0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.72 7at1 s LEU 58 CO 0.14 -0.20 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.22 7at1 s ILE 59 N 1.75 3.32 -0.25 6.68 1.01 -0.88 -0.48 121.20 132.35 7at1 s ILE 59 Ca -0.02 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 7at1 s ILE 59 Cb -0.12 -2.34 0.08 0.00 0.01 0.00 0.00 42.46 40.09 7at1 s ILE 59 CO -0.05 0.58 0.04 -0.54 0.00 0.00 0.00 174.94 174.98 7at1 s LYS 60 N -0.61 0.88 -0.25 2.79 1.02 0.13 -1.57 119.74 122.13 7at1 s LYS 60 Ca 0.09 -0.81 -0.08 0.00 0.02 0.00 0.00 55.97 55.19 7at1 s LYS 60 Cb -0.11 -2.18 -0.03 0.00 -0.52 0.00 0.00 37.83 34.99 7at1 s LYS 60 CO 0.01 -0.77 0.08 0.42 -0.92 0.00 0.00 175.35 174.17 7at1 s ILE 61 N 1.66 4.39 0.15 2.17 1.09 -0.84 -1.28 121.20 128.53 7at1 s ILE 61 Ca 0.02 -0.14 -0.30 0.00 -1.10 0.00 0.00 60.65 59.13 7at1 s ILE 61 Cb -0.18 -3.06 -0.07 0.00 -1.06 0.00 0.00 42.46 38.10 7at1 s ILE 61 CO -0.14 0.34 0.96 -0.70 -0.10 0.00 0.00 174.94 175.29 7at1 s GLU 62 N 1.59 4.74 -1.33 2.79 2.12 -0.15 -2.16 118.70 126.31 7at1 s GLU 62 Ca 0.06 1.47 -0.10 0.00 0.36 0.00 0.00 54.97 56.76 7at1 s GLU 62 Cb -0.15 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.90 7at1 s GLU 62 CO 0.04 0.30 0.50 0.09 -0.54 0.00 0.00 175.26 175.65 7at1 n ASN 63 N 2.39 -2.00 -3.64 -1.70 3.02 0.13 -4.54 115.26 108.92 7at1 n ASN 63 Ca 0.01 -1.09 -0.11 0.00 -0.03 0.00 0.00 54.58 53.36 7at1 n ASN 63 Cb 0.48 -2.76 -0.07 0.00 -0.61 0.00 0.00 39.78 36.82 7at1 n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 7at1 s THR 64 N -3.82 -0.00 0.12 3.41 2.01 -1.26 -4.91 115.64 111.19 7at1 s THR 64 Ca 0.20 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.28 7at1 s THR 64 Cb -0.08 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 7at1 s THR 64 CO 0.91 0.00 -0.21 -0.36 -0.69 0.00 0.00 174.62 174.27 7at1 s PHE 65 N 0.90 1.88 0.15 4.92 0.40 -1.26 -1.73 117.98 123.24 7at1 s PHE 65 Ca -0.04 -0.42 -0.30 0.00 -0.60 0.00 0.00 56.93 55.57 7at1 s PHE 65 Cb -0.05 -1.01 -0.07 0.00 0.51 0.00 0.00 43.02 42.40 7at1 s PHE 65 CO -0.08 0.26 1.06 -0.51 0.70 0.00 0.00 175.22 176.65 7at1 s LEU 66 N -2.10 4.49 0.43 -0.37 1.43 -1.26 -5.05 118.68 116.26 7at1 s LEU 66 Ca 0.10 1.99 -0.22 0.00 -1.03 0.00 0.00 54.13 54.97 7at1 s LEU 66 Cb -0.09 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.43 7at1 s LEU 66 CO 0.05 -0.18 0.98 -0.94 0.23 0.00 0.00 176.35 176.50 7at1 s SER 67 N -0.04 6.78 0.06 2.29 1.04 -1.26 -4.87 113.70 117.71 7at1 s SER 67 Ca 0.49 1.81 -0.11 0.00 0.48 0.00 0.00 55.95 58.62 7at1 s SER 67 Cb -0.27 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.27 7at1 s SER 67 CO 0.33 -0.47 0.56 -0.62 0.98 0.00 0.00 173.24 174.02 7at1 n GLU 68 N -0.57 -0.16 -0.21 4.02 4.71 -1.26 -0.49 120.64 126.68 7at1 n GLU 68 Ca 0.07 0.55 0.02 0.00 -0.01 0.00 0.00 57.16 57.79 7at1 n GLU 68 Cb 0.53 -0.81 0.12 0.00 -1.01 0.00 0.00 31.44 30.26 7at1 n GLU 68 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 7at1 h ASP 69 N 0.00 -0.12 -0.78 1.62 3.04 -1.99 -0.36 116.42 117.83 7at1 h ASP 69 Ca 0.06 0.14 -0.02 0.00 -3.24 0.00 0.00 57.03 53.97 7at1 h ASP 69 Cb 0.15 0.22 -0.04 0.00 -1.04 0.00 0.00 39.33 38.62 7at1 h ASP 69 CO -0.34 -0.06 0.40 1.56 -2.04 0.00 0.00 179.24 178.76 7at1 h GLN 70 N 0.19 1.12 -0.08 4.15 4.20 -1.16 0.11 115.11 123.64 7at1 h GLN 70 Ca 0.34 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.80 7at1 h GLN 70 Cb 0.54 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 7at1 h GLN 70 CO -0.48 0.85 -0.42 0.28 -0.67 0.00 0.00 178.83 178.38 7at1 h VAL 71 N 1.12 1.31 -0.14 -0.54 2.07 -0.97 0.29 116.25 119.39 7at1 h VAL 71 Ca 0.27 -1.53 -0.17 0.00 0.82 0.00 0.00 66.70 66.09 7at1 h VAL 71 Cb 0.08 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 7at1 h VAL 71 CO -0.04 0.45 -0.64 0.44 0.02 0.00 0.00 177.57 177.81 7at1 h ASP 72 N 0.14 0.59 -0.11 0.57 3.45 -0.09 -2.17 116.42 118.81 7at1 h ASP 72 Ca 0.01 -0.35 -0.01 0.00 0.43 0.00 0.00 57.03 57.11 7at1 h ASP 72 Cb 0.81 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 39.41 7at1 h ASP 72 CO 0.06 1.08 0.03 1.56 -1.57 0.00 0.00 179.24 180.40 7at1 h GLN 73 N 0.38 0.17 -0.99 3.56 4.20 -0.40 -2.84 115.11 119.18 7at1 h GLN 73 Ca -0.01 -0.04 0.17 0.00 0.06 0.00 0.00 58.65 58.83 7at1 h GLN 73 Cb 1.20 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.86 7at1 h GLN 73 CO 0.12 0.34 0.62 1.25 -0.67 0.00 0.00 178.83 180.48 7at1 h LEU 74 N -0.03 0.78 -1.04 1.46 5.85 -0.36 0.42 115.31 122.39 7at1 h LEU 74 Ca 0.03 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.88 7at1 h LEU 74 Cb 0.24 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 7at1 h LEU 74 CO 0.00 0.32 0.64 0.00 -0.34 0.00 0.00 178.44 179.06 7at1 h ALA 75 N 1.61 1.39 0.00 1.25 0.00 -1.15 0.34 119.26 122.70 7at1 h ALA 75 Ca 0.54 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.37 7at1 h ALA 75 Cb 0.82 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 7at1 h ALA 75 CO -0.33 0.50 -0.54 1.25 0.00 0.00 0.00 179.25 180.13 7at1 h LEU 76 N 1.21 0.00 0.00 0.00 6.46 -0.18 -3.25 115.31 119.56 7at1 h LEU 76 Ca 0.40 0.00 -0.37 0.00 -0.12 0.00 0.00 57.88 57.79 7at1 h LEU 76 Cb 0.06 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 39.93 7at1 h LEU 76 CO -0.14 0.17 -2.34 -1.22 -0.62 0.00 0.00 178.44 174.29 7at1 n TYR 77 N -2.99 0.12 -3.01 1.25 4.01 0.07 -4.86 117.16 111.75 7at1 n TYR 77 Ca 0.01 0.04 -0.17 0.00 -0.16 0.00 0.00 57.90 57.62 7at1 n TYR 77 Cb 0.61 -1.02 -0.02 0.00 -0.31 0.00 0.00 39.34 38.60 7at1 n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 7at1 n ALA 78 N -2.85 0.74 0.13 -0.72 0.00 0.12 -4.99 120.51 112.94 7at1 n ALA 78 Ca -0.34 -2.47 0.18 0.00 0.00 0.00 0.00 53.44 50.80 7at1 n ALA 78 Cb 1.11 -1.05 0.76 0.00 0.00 0.00 0.00 19.45 20.27 7at1 n ALA 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 7at1 h PRO 79 N 4.19 0.00 -0.23 0.00 0.13 -1.62 -1.26 132.00 133.21 7at1 h PRO 79 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.06 7at1 h PRO 79 Cb 0.95 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 7at1 h PRO 79 CO 0.38 0.00 -0.19 1.96 -0.23 0.00 0.00 178.00 179.92 7at1 h GLN 80 N 0.00 0.40 -6.86 0.86 1.08 -1.91 -3.42 115.11 105.26 7at1 h GLN 80 Ca 0.14 -0.13 -0.57 0.00 -1.45 0.00 0.00 58.65 56.65 7at1 h GLN 80 Cb 0.68 -0.04 0.16 0.00 -0.05 0.00 0.00 27.48 28.23 7at1 h GLN 80 CO -0.00 0.58 0.21 0.00 -0.95 0.00 0.00 178.83 178.67 7at1 n ALA 81 N -2.48 0.40 -3.71 3.87 0.00 -0.48 -4.83 120.51 113.28 7at1 n ALA 81 Ca -0.00 0.04 -0.27 0.00 0.00 0.00 0.00 53.44 53.21 7at1 n ALA 81 Cb 0.35 -2.15 -0.17 0.00 0.00 0.00 0.00 19.45 17.48 7at1 n ALA 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 7at1 s THR 82 N -1.46 1.22 -0.16 0.00 2.01 -0.53 -4.27 115.64 112.45 7at1 s THR 82 Ca 0.75 -0.46 -0.20 0.00 0.31 0.00 0.00 61.69 62.08 7at1 s THR 82 Cb -0.43 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 7at1 s THR 82 CO 0.48 0.39 0.59 -0.69 -0.69 0.00 0.00 174.62 174.70 7at1 s VAL 83 N 1.17 5.07 -0.24 3.82 1.01 0.34 -1.19 120.40 130.39 7at1 s VAL 83 Ca -0.04 1.14 -0.02 0.00 0.00 0.00 0.00 61.98 63.05 7at1 s VAL 83 Cb -0.14 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.34 7at1 s VAL 83 CO -0.03 0.19 -0.06 0.20 0.00 0.00 0.00 175.10 175.40 7at1 s ASN 84 N 1.02 4.30 -0.44 3.32 0.01 0.19 -1.09 114.94 122.24 7at1 s ASN 84 Ca 0.29 -0.75 -0.27 0.00 -0.71 0.00 0.00 52.86 51.41 7at1 s ASN 84 Cb -0.16 -1.68 0.03 0.00 0.41 0.00 0.00 41.25 39.84 7at1 s ASN 84 CO 0.11 -0.10 1.03 -0.13 -1.51 0.00 0.00 177.10 176.50 7at1 s ARG 85 N 1.37 3.71 -0.15 -0.60 0.52 0.13 -1.28 118.95 122.65 7at1 s ARG 85 Ca 0.02 0.48 -0.03 0.00 -0.52 0.00 0.00 55.73 55.68 7at1 s ARG 85 Cb -0.16 -3.88 -0.03 0.00 0.52 0.00 0.00 34.95 31.40 7at1 s ARG 85 CO -0.04 -1.23 -0.04 0.42 0.02 0.00 0.00 175.30 174.43 7at1 s ILE 86 N 4.02 3.86 -0.04 1.52 -1.09 0.23 -0.04 121.20 129.66 7at1 s ILE 86 Ca 0.43 -0.37 -0.01 0.00 -2.23 0.00 0.00 60.65 58.46 7at1 s ILE 86 Cb -0.09 -2.68 0.03 0.00 -1.58 0.00 0.00 42.46 38.13 7at1 s ILE 86 CO 0.27 0.50 0.05 -0.62 -1.23 0.00 0.00 174.94 173.91 7at1 s ASP 87 N 0.29 0.94 -1.20 3.58 3.68 0.08 -1.10 116.67 122.93 7at1 s ASP 87 Ca -0.04 0.05 -0.20 0.00 2.13 0.00 0.00 52.55 54.50 7at1 s ASP 87 Cb -0.14 -0.15 0.00 0.00 -1.45 0.00 0.00 42.92 41.18 7at1 s ASP 87 CO 0.03 -0.22 0.70 -3.20 0.13 0.00 0.00 175.17 172.62 7at1 n ASN 88 N 5.02 -4.23 0.00 -0.34 5.15 0.14 -1.45 115.26 119.55 7at1 n ASN 88 Ca -0.09 -1.08 0.00 0.00 -0.60 0.00 0.00 54.58 52.81 7at1 n ASN 88 Cb 0.50 -2.96 0.00 0.00 -0.53 0.00 0.00 39.78 36.79 7at1 n ASN 88 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 7at1 n TYR 89 N -4.40 0.00 -2.87 1.20 4.02 -0.31 -4.91 117.16 109.88 7at1 n TYR 89 Ca -0.13 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.36 7at1 n TYR 89 Cb 0.60 -0.94 -0.05 0.00 -0.02 0.00 0.00 39.34 38.92 7at1 n TYR 89 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 7at1 s GLU 90 N 0.00 4.64 -0.94 -0.72 2.56 -0.53 -4.94 118.70 118.77 7at1 s GLU 90 Ca 0.00 1.27 -0.24 0.00 0.00 0.00 0.00 54.97 56.00 7at1 s GLU 90 Cb 0.00 -3.32 0.03 0.00 2.00 0.00 0.00 34.13 32.84 7at1 s GLU 90 CO 0.00 0.39 1.49 0.08 -0.56 0.00 0.00 175.26 176.66 7at1 s VAL 91 N -0.56 3.81 0.28 3.70 1.01 -1.26 -0.74 120.40 126.64 7at1 s VAL 91 Ca 0.40 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.95 7at1 s VAL 91 Cb -0.23 -4.87 0.05 0.00 0.00 0.00 0.00 36.38 31.33 7at1 s VAL 91 CO 0.27 -1.78 1.71 0.58 0.00 0.00 0.00 175.10 175.88 7at1 h VAL 92 N 6.72 1.28 -2.77 2.92 2.07 -0.76 -3.45 116.25 122.25 7at1 h VAL 92 Ca 0.09 -1.36 -0.09 0.00 0.82 0.00 0.00 66.70 66.16 7at1 h VAL 92 Cb 1.02 1.46 -0.18 0.00 -1.52 0.00 0.00 31.29 32.07 7at1 h VAL 92 CO 1.37 0.42 -0.09 -0.83 0.02 0.00 0.00 177.57 178.46 7at1 s GLY 93 N -4.07 -0.31 -0.12 2.17 0.00 -0.75 -4.99 107.32 99.24 7at1 s GLY 93 Ca -0.06 0.57 -0.04 0.00 0.00 0.00 0.00 44.72 45.19 7at1 s GLY 93 CO 0.79 0.30 0.13 1.25 0.00 0.00 0.00 173.10 175.57 7at1 s LYS 94 N -1.72 0.04 -0.04 2.90 2.20 -1.26 0.17 119.74 122.04 7at1 s LYS 94 Ca -0.10 0.28 0.01 0.00 -0.36 0.00 0.00 55.97 55.80 7at1 s LYS 94 Cb -0.02 -0.94 0.02 0.00 -1.51 0.00 0.00 37.83 35.38 7at1 s LYS 94 CO 0.03 -0.48 -0.04 -1.54 -0.36 0.00 0.00 175.35 172.96 7at1 s SER 95 N 2.23 0.88 -0.20 1.43 1.04 -0.25 -5.00 113.70 113.83 7at1 s SER 95 Ca 0.04 -0.12 -0.10 0.00 0.48 0.00 0.00 55.95 56.26 7at1 s SER 95 Cb -0.14 -0.42 -0.05 0.00 0.10 0.00 0.00 66.02 65.51 7at1 s SER 95 CO -0.07 -0.06 0.12 -0.60 0.98 0.00 0.00 173.24 173.61 7at1 s ARG 96 N 0.92 4.14 0.82 4.02 3.52 -1.26 -0.50 118.95 130.60 7at1 s ARG 96 Ca -0.11 -0.24 -0.10 0.00 -0.13 0.00 0.00 55.73 55.15 7at1 s ARG 96 Cb -0.14 -3.38 0.09 0.00 -1.56 0.00 0.00 34.95 29.95 7at1 s ARG 96 CO -0.00 0.30 1.11 -1.25 -0.81 0.00 0.00 175.30 174.65 7at1 s PRO 97 N 0.34 1.85 0.10 5.12 0.04 -1.26 -5.02 135.00 136.17 7at1 s PRO 97 Ca 0.07 1.29 0.05 0.00 0.04 0.00 0.00 61.00 62.45 7at1 s PRO 97 Cb -0.11 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 7at1 s PRO 97 CO -0.02 -1.97 -0.12 0.45 0.04 0.00 0.00 177.00 175.39 7at1 s SER 98 N -3.16 1.65 0.30 6.66 0.15 -1.26 -4.93 113.70 113.10 7at1 s SER 98 Ca 0.63 -0.77 -0.29 0.00 0.70 0.00 0.00 55.95 56.21 7at1 s SER 98 Cb -0.19 -0.02 -0.10 0.00 -1.71 0.00 0.00 66.02 63.99 7at1 s SER 98 CO 0.57 -0.19 1.41 -0.76 1.20 0.00 0.00 173.24 175.46 7at1 s LEU 99 N -2.31 4.39 0.00 3.45 1.43 -1.26 -4.83 118.68 119.54 7at1 s LEU 99 Ca 0.05 2.75 -0.15 0.00 -1.03 0.00 0.00 54.13 55.75 7at1 s LEU 99 Cb -0.05 -3.64 0.21 0.00 0.03 0.00 0.00 46.19 42.75 7at1 s LEU 99 CO 0.01 -0.68 1.27 -0.81 0.23 0.00 0.00 176.35 176.37 7at1 n PRO 100 N 1.50 -1.20 -0.02 1.29 -0.04 -1.26 -5.02 135.00 130.25 7at1 n PRO 100 Ca 0.04 -2.02 -0.16 0.00 -0.04 0.00 0.00 63.50 61.31 7at1 n PRO 100 Cb 0.40 -1.29 -0.09 0.00 -0.04 0.00 0.00 33.50 32.48 7at1 n PRO 100 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 7at1 h GLU 101 N 0.00 0.44 -4.20 0.54 4.39 -1.95 -3.41 114.58 110.39 7at1 h GLU 101 Ca -0.41 -0.39 -0.22 0.00 0.34 0.00 0.00 59.36 58.68 7at1 h GLU 101 Cb 1.15 0.09 -0.22 0.00 -0.10 0.00 0.00 28.75 29.67 7at1 h GLU 101 CO 0.30 1.03 -0.72 0.50 -1.16 0.00 0.00 179.01 178.96 7at1 s ARG 102 N -3.53 0.38 -0.13 2.33 3.52 -1.26 -0.60 118.95 119.67 7at1 s ARG 102 Ca -0.13 -0.61 0.01 0.00 -0.13 0.00 0.00 55.73 54.86 7at1 s ARG 102 Cb 0.04 -0.07 -0.01 0.00 -1.56 0.00 0.00 34.95 33.36 7at1 s ARG 102 CO 0.81 -0.00 -0.16 0.42 -0.81 0.00 0.00 175.30 175.56 7at1 s ILE 103 N -1.29 2.75 0.28 4.11 -1.09 0.34 -4.94 121.20 121.36 7at1 s ILE 103 Ca -0.12 -0.76 0.10 0.00 -2.23 0.00 0.00 60.65 57.63 7at1 s ILE 103 Cb -0.09 -2.14 -0.04 0.00 -1.58 0.00 0.00 42.46 38.61 7at1 s ILE 103 CO -0.00 0.53 -0.02 -1.81 -1.23 0.00 0.00 174.94 172.40 7at1 s ASP 104 N 0.45 4.38 0.00 3.58 1.11 -1.26 -0.78 116.67 124.14 7at1 s ASP 104 Ca -0.12 -0.74 0.00 0.00 0.18 0.00 0.00 52.55 51.87 7at1 s ASP 104 Cb -0.16 -0.73 0.00 0.00 1.07 0.00 0.00 42.92 43.10 7at1 s ASP 104 CO 0.05 -0.03 0.00 -0.46 1.18 0.00 0.00 175.17 175.91 7at1 n ASN 105 N -0.88 0.00 0.00 0.27 0.23 -0.53 -4.47 115.26 109.89 7at1 n ASN 105 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 7at1 n ASN 105 Cb 0.60 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 7at1 n ASN 105 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 7at1 n VAL 106 N -0.51 0.00 -2.95 3.53 0.24 -1.26 -4.90 118.33 112.48 7at1 n VAL 106 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.95 7at1 n VAL 106 Cb 0.00 -0.03 -0.06 0.00 -1.47 0.00 0.00 33.84 32.27 7at1 n VAL 106 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 7at1 s LEU 107 N -2.80 4.17 -0.08 1.34 1.02 -1.26 -5.07 118.68 116.00 7at1 s LEU 107 Ca 0.00 1.57 0.03 0.00 0.02 0.00 0.00 54.13 55.75 7at1 s LEU 107 Cb 0.00 -4.07 -0.02 0.00 0.02 0.00 0.00 46.19 42.12 7at1 s LEU 107 CO 0.00 -0.15 -0.16 -0.69 0.02 0.00 0.00 176.35 175.37 7at1 s VAL 108 N -1.83 2.89 0.09 -1.59 1.01 -1.26 -4.78 120.40 114.93 7at1 s VAL 108 Ca 0.53 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 7at1 s VAL 108 Cb -0.14 -2.15 -0.07 0.00 0.00 0.00 0.00 36.38 34.02 7at1 s VAL 108 CO 0.19 0.56 1.34 0.00 0.00 0.00 0.00 175.10 177.19 7at1 h PRO 110 N 6.86 0.00 -6.50 0.00 0.11 -1.93 -3.41 132.00 127.13 7at1 h PRO 110 Ca -0.42 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.12 7at1 h PRO 110 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 7at1 h PRO 110 CO 0.85 0.00 1.07 1.21 -0.21 0.00 0.00 178.00 180.93 7at1 s ASN 111 N -6.04 6.34 0.57 -2.05 2.47 -1.26 -4.86 114.94 110.12 7at1 s ASN 111 Ca -0.05 0.89 0.26 0.00 0.42 0.00 0.00 52.86 54.39 7at1 s ASN 111 Cb 0.15 -2.54 1.59 0.00 -1.45 0.00 0.00 41.25 39.00 7at1 s ASN 111 CO 0.55 -1.42 2.12 0.77 -3.72 0.00 0.00 177.10 175.41 7at1 h SER 112 N 10.69 0.00 -0.70 -4.21 4.64 -2.03 -2.32 113.55 119.62 7at1 h SER 112 Ca -0.28 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.73 7at1 h SER 112 Cb 1.11 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.01 7at1 h SER 112 CO 1.08 0.00 0.31 -3.20 -0.87 0.00 0.00 176.83 174.15 7at1 n ASN 113 N -4.01 3.72 -4.84 4.97 5.15 -1.26 -4.96 115.26 114.02 7at1 n ASN 113 Ca 0.01 -3.51 -0.31 0.00 -0.60 0.00 0.00 54.58 50.17 7at1 n ASN 113 Cb 0.28 -0.74 0.01 0.00 -0.53 0.00 0.00 39.78 38.80 7at1 n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 7at1 h ILE 115 N -0.07 0.00 -0.26 0.00 6.09 -1.93 -3.32 117.51 118.02 7at1 h ILE 115 Ca -0.45 -0.85 0.01 0.00 -1.37 0.00 0.00 64.86 62.20 7at1 h ILE 115 Cb 1.20 1.65 -0.01 0.00 0.47 0.00 0.00 36.82 40.13 7at1 h ILE 115 CO 0.60 0.00 0.18 0.77 -3.07 0.00 0.00 178.15 176.63 7at1 h SER 116 N 0.00 0.27 -0.72 2.19 4.64 -1.93 -2.84 113.55 115.16 7at1 h SER 116 Ca 0.00 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 7at1 h SER 116 Cb 0.93 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.92 7at1 h SER 116 CO 0.00 0.19 0.19 0.45 -0.87 0.00 0.00 176.83 176.79 7at1 h HIS 117 N 0.32 1.20 0.00 4.77 3.86 -1.94 -3.26 115.15 120.09 7at1 h HIS 117 Ca 0.10 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 7at1 h HIS 117 Cb 0.02 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.15 7at1 h HIS 117 CO -0.00 0.96 -0.83 0.00 0.86 0.00 0.00 177.93 178.92 7at1 n ALA 118 N -2.46 4.24 -2.51 2.45 0.00 -1.08 -4.96 120.51 116.20 7at1 n ALA 118 Ca 0.06 -0.50 -0.25 0.00 0.00 0.00 0.00 53.44 52.75 7at1 n ALA 118 Cb 0.25 -0.91 -0.13 0.00 0.00 0.00 0.00 19.45 18.67 7at1 n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 7at1 s GLU 119 N -3.01 1.19 0.00 0.00 0.41 -1.18 -5.03 118.70 111.07 7at1 s GLU 119 Ca 0.09 -1.21 -0.23 0.00 -0.41 0.00 0.00 54.97 53.21 7at1 s GLU 119 Cb 0.16 -1.50 -0.28 0.00 -1.78 0.00 0.00 34.13 30.73 7at1 s GLU 119 CO 0.80 0.35 1.44 -2.30 -0.49 0.00 0.00 175.26 175.06 7at1 n PRO 120 N 1.03 0.00 -4.26 0.39 -0.02 -1.26 -4.85 135.00 126.03 7at1 n PRO 120 Ca -0.19 -0.87 -0.17 0.00 -2.02 0.00 0.00 63.50 60.25 7at1 n PRO 120 Cb 0.53 -2.37 -0.14 0.00 -0.02 0.00 0.00 33.50 31.51 7at1 n PRO 120 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 7at1 s VAL 121 N 6.48 0.70 0.08 -1.45 -7.23 -1.26 -5.11 120.40 112.61 7at1 s VAL 121 Ca 0.51 -0.61 -0.31 0.00 -1.81 0.00 0.00 61.98 59.77 7at1 s VAL 121 Cb 0.11 -0.63 -0.06 0.00 0.56 0.00 0.00 36.38 36.36 7at1 s VAL 121 CO 0.26 0.03 1.22 -0.44 -0.31 0.00 0.00 175.10 175.86 7at1 s SER 122 N -0.64 7.06 0.87 4.85 0.01 -1.26 -4.98 113.70 119.61 7at1 s SER 122 Ca 0.00 2.07 -0.11 0.00 1.31 0.00 0.00 55.95 59.22 7at1 s SER 122 Cb -0.05 -2.58 0.11 0.00 0.21 0.00 0.00 66.02 63.71 7at1 s SER 122 CO 0.00 -0.47 1.10 -0.94 0.41 0.00 0.00 173.24 173.33 7at1 s SER 123 N 0.96 3.62 -0.22 2.44 1.04 -1.26 -4.78 113.70 115.49 7at1 s SER 123 Ca 0.59 1.72 -0.19 0.00 0.48 0.00 0.00 55.95 58.54 7at1 s SER 123 Cb -0.30 -2.37 0.06 0.00 0.10 0.00 0.00 66.02 63.50 7at1 s SER 123 CO 0.30 -2.58 0.58 -0.55 0.98 0.00 0.00 173.24 171.96 7at1 s SER 124 N -3.24 -0.62 -0.05 7.02 0.15 -1.26 -1.45 113.70 114.25 7at1 s SER 124 Ca 0.63 1.17 0.03 0.00 0.70 0.00 0.00 55.95 58.48 7at1 s SER 124 Cb -0.19 1.17 0.01 0.00 -1.71 0.00 0.00 66.02 65.30 7at1 s SER 124 CO 0.57 -0.20 -0.13 -0.36 1.20 0.00 0.00 173.24 174.32 7at1 s PHE 125 N 0.41 1.42 0.06 3.44 0.40 0.04 -1.27 117.98 122.47 7at1 s PHE 125 Ca -0.01 -0.46 -0.25 0.00 -0.60 0.00 0.00 56.93 55.61 7at1 s PHE 125 Cb -0.04 -1.01 -0.06 0.00 0.51 0.00 0.00 43.02 42.42 7at1 s PHE 125 CO -0.01 -0.21 0.75 0.00 0.70 0.00 0.00 175.22 176.45 7at1 s ALA 126 N 0.41 3.39 -0.48 5.36 0.00 0.25 -0.50 121.76 130.19 7at1 s ALA 126 Ca -0.10 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.03 7at1 s ALA 126 Cb -0.13 -2.97 0.11 0.00 0.00 0.00 0.00 23.12 20.13 7at1 s ALA 126 CO 0.03 0.10 0.37 0.08 0.00 0.00 0.00 175.76 176.34 7at1 s VAL 127 N -0.22 4.48 -0.26 0.00 1.01 0.24 -0.47 120.40 125.18 7at1 s VAL 127 Ca 0.38 -1.62 -0.15 0.00 0.00 0.00 0.00 61.98 60.58 7at1 s VAL 127 Cb -0.21 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 7at1 s VAL 127 CO 0.23 -0.74 0.39 -0.60 0.00 0.00 0.00 175.10 174.38 7at1 s ARG 128 N 1.44 4.04 -0.71 2.72 3.52 0.10 -4.88 118.95 125.17 7at1 s ARG 128 Ca 0.05 0.09 -0.26 0.00 -0.13 0.00 0.00 55.73 55.48 7at1 s ARG 128 Cb -0.26 -3.65 0.04 0.00 -1.56 0.00 0.00 34.95 29.52 7at1 s ARG 128 CO 0.01 -0.27 1.18 0.15 -0.81 0.00 0.00 175.30 175.56 7at1 s LYS 129 N 2.04 3.17 0.37 5.12 3.01 -1.26 -0.36 119.74 131.83 7at1 s LYS 129 Ca 0.16 -0.43 -0.13 0.00 -1.01 0.00 0.00 55.97 54.56 7at1 s LYS 129 Cb -0.16 -4.19 -0.08 0.00 -1.01 0.00 0.00 37.83 32.39 7at1 s LYS 129 CO 0.10 -2.04 0.77 1.03 0.51 0.00 0.00 175.35 175.72 7at1 s ARG 130 N 5.20 3.90 0.61 1.68 0.52 0.54 -4.94 118.95 126.45 7at1 s ARG 130 Ca 0.31 0.61 0.29 0.00 -0.52 0.00 0.00 55.73 56.42 7at1 s ARG 130 Cb -0.11 -2.39 1.57 0.00 0.52 0.00 0.00 34.95 34.54 7at1 s ARG 130 CO 0.14 0.04 1.96 0.00 0.02 0.00 0.00 175.30 177.46 7at1 h ALA 131 N 1.72 1.89 0.04 2.13 0.00 -2.03 -2.19 119.26 120.81 7at1 h ALA 131 Ca -0.47 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.07 7at1 h ALA 131 Cb 1.18 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 7at1 h ALA 131 CO 0.64 -0.51 -2.16 -1.71 0.00 0.00 0.00 179.25 175.51 7at1 n ASN 132 N -3.56 1.34 -0.77 0.00 5.15 -1.26 -5.08 115.26 111.09 7at1 n ASN 132 Ca 0.04 0.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 7at1 n ASN 132 Cb 0.51 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.61 7at1 n ASN 132 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 7at1 n ASP 133 N -3.16 0.00 -4.62 1.20 5.75 -0.83 -5.14 116.55 109.75 7at1 n ASP 133 Ca -0.33 -0.77 -0.39 0.00 -0.01 0.00 0.00 54.79 53.29 7at1 n ASP 133 Cb 1.06 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 41.06 7at1 n ASP 133 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 7at1 s ILE 134 N -2.32 5.15 -0.21 2.12 1.01 -1.26 -0.34 121.20 125.35 7at1 s ILE 134 Ca 0.00 0.67 -0.11 0.00 0.00 0.00 0.00 60.65 61.21 7at1 s ILE 134 Cb 0.00 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 7at1 s ILE 134 CO 0.00 0.15 0.18 0.00 0.00 0.00 0.00 174.94 175.27 7at1 s ALA 135 N 2.03 3.63 -0.14 9.38 0.00 0.52 -0.30 121.76 136.88 7at1 s ALA 135 Ca 0.17 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.40 7at1 s ALA 135 Cb -0.16 -2.30 -0.00 0.00 0.00 0.00 0.00 23.12 20.66 7at1 s ALA 135 CO 0.09 -0.04 -0.16 -0.51 0.00 0.00 0.00 175.76 175.15 7at1 s LEU 136 N 0.75 2.49 -0.17 0.00 1.43 0.07 -0.72 118.68 122.52 7at1 s LEU 136 Ca 0.10 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 7at1 s LEU 136 Cb -0.13 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 7at1 s LEU 136 CO 0.02 0.11 -0.01 -0.75 0.23 0.00 0.00 176.35 175.95 7at1 s LYS 137 N 0.66 3.70 0.36 1.70 2.20 0.37 -0.33 119.74 128.41 7at1 s LYS 137 Ca -0.08 -0.49 -0.27 0.00 -0.36 0.00 0.00 55.97 54.76 7at1 s LYS 137 Cb -0.16 -3.01 -0.09 0.00 -1.51 0.00 0.00 37.83 33.06 7at1 s LYS 137 CO 0.02 0.18 1.25 0.00 -0.36 0.00 0.00 175.35 176.44 7at1 h LYS 139 N 3.08 0.80 0.00 0.00 3.64 -1.53 -3.01 116.57 119.56 7at1 h LYS 139 Ca -0.49 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 7at1 h LYS 139 Cb 1.23 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 7at1 h LYS 139 CO 0.64 0.77 -0.13 0.66 -2.27 0.00 0.00 179.45 179.13 7at1 n TYR 140 N -4.24 0.14 1.50 1.91 4.01 -1.26 -4.58 117.16 114.63 7at1 n TYR 140 Ca 0.03 0.06 0.15 0.00 -0.16 0.00 0.00 57.90 57.98 7at1 n TYR 140 Cb 0.27 -0.29 0.77 0.00 -0.31 0.00 0.00 39.34 39.79 7at1 n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 7at1 n GLU 142 N -1.23 -1.64 -2.54 0.00 1.02 -1.14 -4.99 120.64 110.12 7at1 n GLU 142 Ca 0.15 0.41 -0.38 0.00 -0.02 0.00 0.00 57.16 57.33 7at1 n GLU 142 Cb 0.23 -4.72 -0.04 0.00 -0.02 0.00 0.00 31.44 26.88 7at1 n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 7at1 s LYS 143 N -1.70 4.34 -0.14 3.49 1.02 -1.26 -4.69 119.74 120.80 7at1 s LYS 143 Ca 0.00 1.59 -0.05 0.00 0.02 0.00 0.00 55.97 57.54 7at1 s LYS 143 Cb 0.00 -2.77 -0.03 0.00 -0.52 0.00 0.00 37.83 34.51 7at1 s LYS 143 CO 0.00 -0.00 0.02 -2.00 -0.92 0.00 0.00 175.35 172.45 7at1 s GLU 144 N -2.13 3.56 0.22 1.68 2.12 -1.26 -0.98 118.70 121.91 7at1 s GLU 144 Ca 0.53 -0.40 0.04 0.00 0.36 0.00 0.00 54.97 55.51 7at1 s GLU 144 Cb -0.25 -3.00 -0.05 0.00 0.26 0.00 0.00 34.13 31.09 7at1 s GLU 144 CO 0.32 0.43 -0.04 -0.06 -0.54 0.00 0.00 175.26 175.36 7at1 s PHE 145 N -0.10 1.59 0.28 5.30 0.40 0.55 -4.90 117.98 121.09 7at1 s PHE 145 Ca 0.05 -0.83 -0.29 0.00 -0.60 0.00 0.00 56.93 55.25 7at1 s PHE 145 Cb -0.12 -0.89 -0.09 0.00 0.51 0.00 0.00 43.02 42.42 7at1 s PHE 145 CO 0.02 0.06 1.06 0.45 0.70 0.00 0.00 175.22 177.51 7at1 s SER 146 N -3.31 7.32 0.39 1.36 0.15 -1.26 -0.75 113.70 117.61 7at1 s SER 146 Ca 0.26 2.18 0.28 0.00 0.70 0.00 0.00 55.95 59.37 7at1 s SER 146 Cb 0.04 -2.62 1.32 0.00 -1.71 0.00 0.00 66.02 63.06 7at1 s SER 146 CO 0.08 -0.09 1.84 1.12 1.20 0.00 0.00 173.24 177.38 7at1 h HIS 147 N 3.80 0.00 -0.44 3.44 2.07 -1.03 0.12 115.15 123.10 7at1 h HIS 147 Ca -0.46 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 56.99 7at1 h HIS 147 Cb 1.21 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.17 7at1 h HIS 147 CO 0.59 0.00 0.02 -0.91 -3.07 0.00 0.00 177.93 174.57 7at1 h ASN 148 N 0.00 0.75 -0.05 3.10 2.35 -1.91 -0.54 115.58 119.27 7at1 h ASN 148 Ca 0.00 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.44 7at1 h ASN 148 Cb 0.22 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 7at1 h ASN 148 CO 0.00 0.86 -0.04 0.58 -1.65 0.00 0.00 177.43 177.18 7at1 h VAL 149 N 0.62 1.35 -0.26 2.81 2.07 -1.17 -2.80 116.25 118.85 7at1 h VAL 149 Ca 0.13 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 7at1 h VAL 149 Cb 0.46 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 7at1 h VAL 149 CO 0.02 0.30 -0.05 0.58 0.02 0.00 0.00 177.57 178.44 7at1 h VAL 150 N -0.29 1.18 -0.48 2.57 2.07 -1.40 -2.44 116.25 117.46 7at1 h VAL 150 Ca 0.01 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.77 7at1 h VAL 150 Cb 0.50 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 7at1 h VAL 150 CO 0.01 0.25 0.00 0.18 0.02 0.00 0.00 177.57 178.03 7at1 n LEU 151 N -4.29 4.28 -4.55 2.57 4.77 -0.21 -4.69 117.00 114.88 7at1 n LEU 151 Ca 0.01 -2.16 -0.29 0.00 -0.03 0.00 0.00 56.01 53.53 7at1 n LEU 151 Cb 0.25 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 7at1 n LEU 151 CO 0.38 0.60 1.69 0.00 -1.33 0.00 0.00 177.39 178.74 7at1 s ALA 152 N -2.08 1.40 -2.33 -1.18 0.00 -0.92 -5.03 121.76 111.61 7at1 s ALA 152 Ca 0.41 -0.39 0.29 0.00 0.00 0.00 0.00 51.96 52.27 7at1 s ALA 152 Cb 0.29 -4.43 1.33 0.00 0.00 0.00 0.00 23.12 20.32 7at1 s ALA 152 CO 0.16 -4.88 1.91 0.27 0.00 0.00 0.00 175.76 173.22