#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3at1 s VAL 9 N 0.00 0.11 0.00 1.61 1.01 -1.26 -5.03 120.40 116.83 3at1 s VAL 9 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3at1 s VAL 9 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.55 3at1 s VAL 9 CO 0.00 -0.48 0.00 -1.84 0.00 0.00 0.00 175.10 172.78 3at1 n GLU 10 N 0.83 2.40 -0.36 2.72 -0.00 -1.26 -5.08 120.64 119.89 3at1 n GLU 10 Ca -0.20 0.00 -0.14 0.00 -0.00 0.00 0.00 57.16 56.82 3at1 n GLU 10 Cb 0.58 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 32.00 3at1 n GLU 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3at1 n ALA 11 N -3.00 -0.74 -4.53 -1.84 0.00 -1.26 -5.10 120.51 104.05 3at1 n ALA 11 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.27 3at1 n ALA 11 Cb 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 3at1 n ALA 11 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3at1 n ILE 12 N 0.62 0.00 -3.88 0.00 -5.35 -1.26 -5.09 119.36 104.41 3at1 n ILE 12 Ca 0.06 -2.17 -0.11 0.00 -0.27 0.00 0.00 62.75 60.25 3at1 n ILE 12 Cb 0.00 0.34 -0.13 0.00 -1.74 0.00 0.00 39.64 38.12 3at1 n ILE 12 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 3at1 s LYS 13 N -3.77 0.16 -0.24 6.28 -2.85 -1.26 -3.52 119.74 114.54 3at1 s LYS 13 Ca 0.06 -0.11 -0.18 0.00 -1.00 0.00 0.00 55.97 54.74 3at1 s LYS 13 Cb -0.00 0.07 0.03 0.00 -2.06 0.00 0.00 37.83 35.86 3at1 s LYS 13 CO 0.04 -0.03 0.32 -2.13 0.10 0.00 0.00 175.35 173.65 3at1 n ARG 14 N 2.58 -1.35 -3.81 1.78 0.63 -1.09 -4.51 116.66 110.89 3at1 n ARG 14 Ca -0.16 1.29 -0.01 0.00 -0.92 0.00 0.00 57.85 58.05 3at1 n ARG 14 Cb 0.58 -2.07 0.00 0.00 0.45 0.00 0.00 32.46 31.43 3at1 n ARG 14 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3at1 s GLY 15 N -1.35 -0.14 0.06 5.14 0.00 -0.65 0.86 107.32 111.24 3at1 s GLY 15 Ca 0.18 0.08 0.01 0.00 0.00 0.00 0.00 44.72 45.00 3at1 s GLY 15 CO 0.48 1.94 0.15 -1.59 0.00 0.00 0.00 173.10 174.09 3at1 s THR 16 N -2.45 5.05 -0.15 0.90 2.01 -0.41 -1.20 115.64 119.40 3at1 s THR 16 Ca 0.19 -0.52 -0.01 0.00 0.31 0.00 0.00 61.69 61.67 3at1 s THR 16 Cb -0.00 -3.44 0.04 0.00 0.01 0.00 0.00 72.50 69.11 3at1 s THR 16 CO 0.01 0.15 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.37 3at1 s VAL 17 N -1.44 0.92 -0.29 3.82 1.01 -0.05 -1.09 120.40 123.29 3at1 s VAL 17 Ca 0.32 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 3at1 s VAL 17 Cb -0.13 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 3at1 s VAL 17 CO 0.25 0.14 0.17 -0.63 0.00 0.00 0.00 175.10 175.02 3at1 s ILE 18 N 1.72 4.95 0.28 2.22 1.09 -0.21 -0.33 121.20 130.92 3at1 s ILE 18 Ca 0.02 -0.10 0.09 0.00 -1.10 0.00 0.00 60.65 59.55 3at1 s ILE 18 Cb -0.15 -3.42 -0.04 0.00 -1.06 0.00 0.00 42.46 37.79 3at1 s ILE 18 CO -0.07 0.18 0.07 -0.62 -0.10 0.00 0.00 174.94 174.39 3at1 s ASP 19 N 1.69 4.76 -0.43 3.58 3.68 -0.10 -1.75 116.67 128.10 3at1 s ASP 19 Ca 0.06 -0.61 -0.19 0.00 2.13 0.00 0.00 52.55 53.95 3at1 s ASP 19 Cb -0.16 -0.92 0.03 0.00 -1.45 0.00 0.00 42.92 40.42 3at1 s ASP 19 CO 0.08 -0.08 0.48 1.57 0.13 0.00 0.00 175.17 177.35 3at1 n HIS 20 N -1.01 -1.81 -2.95 -5.34 -0.00 -1.25 -0.81 115.22 102.05 3at1 n HIS 20 Ca -0.06 0.75 -0.33 0.00 0.46 0.00 0.00 57.72 58.54 3at1 n HIS 20 Cb 0.59 -1.55 -0.07 0.00 -0.12 0.00 0.00 29.99 28.85 3at1 n HIS 20 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3at1 s ILE 21 N -1.67 4.48 0.00 3.57 -1.09 -1.14 -3.92 121.20 121.44 3at1 s ILE 21 Ca 0.18 1.32 0.00 0.00 -2.23 0.00 0.00 60.65 59.93 3at1 s ILE 21 Cb -0.02 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 3at1 s ILE 21 CO 0.65 -0.19 0.97 -2.65 -1.23 0.00 0.00 174.94 172.50 3at1 n PRO 22 N -0.32 0.00 0.00 2.79 -0.02 -1.26 -3.09 135.00 133.10 3at1 n PRO 22 Ca 0.05 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3at1 n PRO 22 Cb 0.53 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 3at1 n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3at1 n ALA 23 N -2.70 0.00 -1.35 3.55 0.00 -1.26 -2.97 120.51 115.77 3at1 n ALA 23 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3at1 n ALA 23 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3at1 n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3at1 n GLN 24 N -0.49 -1.68 -0.01 0.00 1.13 -1.26 -4.76 117.38 110.31 3at1 n GLN 24 Ca 0.00 0.93 -0.01 0.00 -1.94 0.00 0.00 57.00 55.98 3at1 n GLN 24 Cb 0.00 -5.36 -0.01 0.00 0.11 0.00 0.00 30.24 24.98 3at1 n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 3at1 n ILE 25 N -2.23 0.11 -0.31 5.09 2.08 -1.26 -4.68 119.36 118.15 3at1 n ILE 25 Ca -0.12 -0.06 -0.03 0.00 0.56 0.00 0.00 62.75 63.09 3at1 n ILE 25 Cb 0.61 -0.92 0.09 0.00 -0.75 0.00 0.00 39.64 38.66 3at1 n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 3at1 h GLY 26 N 0.30 1.20 0.89 7.39 0.00 -1.93 -1.61 103.07 109.31 3at1 h GLY 26 Ca -0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3at1 h GLY 26 CO 0.00 0.42 0.07 -2.75 0.00 0.00 0.00 176.54 174.28 3at1 h PHE 27 N 1.13 0.24 -0.72 5.60 3.57 -1.98 -1.96 116.94 122.82 3at1 h PHE 27 Ca 0.32 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.94 3at1 h PHE 27 Cb -0.10 -0.07 -0.10 0.00 2.79 0.00 0.00 35.95 38.47 3at1 h PHE 27 CO -0.01 0.30 0.23 0.87 -2.23 0.00 0.00 178.31 177.47 3at1 h LYS 28 N 0.11 0.35 -0.79 1.11 1.57 -1.65 0.42 116.57 117.67 3at1 h LYS 28 Ca 0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3at1 h LYS 28 Cb 0.16 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 3at1 h LYS 28 CO -0.00 0.23 0.45 -0.07 -0.57 0.00 0.00 179.45 179.48 3at1 h LEU 29 N 0.36 0.98 -0.90 2.94 3.38 -1.18 0.31 115.31 121.20 3at1 h LEU 29 Ca 0.40 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.29 3at1 h LEU 29 Cb 0.62 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 3at1 h LEU 29 CO -0.43 0.79 0.59 -0.07 0.09 0.00 0.00 178.44 179.41 3at1 h LEU 30 N 1.10 1.02 0.19 1.67 -0.00 -0.01 -2.54 115.31 116.74 3at1 h LEU 30 Ca 0.28 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 58.13 3at1 h LEU 30 Cb 0.01 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.42 3at1 h LEU 30 CO -0.05 0.74 -0.09 0.28 -0.00 0.00 0.00 178.44 179.32 3at1 h SER 31 N 1.21 -0.21 -0.23 -0.43 0.02 0.21 -2.88 113.55 111.23 3at1 h SER 31 Ca 0.33 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.32 3at1 h SER 31 Cb -0.13 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.41 3at1 h SER 31 CO -0.08 0.04 -0.45 -0.07 -1.14 0.00 0.00 176.83 175.13 3at1 h LEU 32 N -0.63 -1.48 -0.94 5.07 4.07 -0.52 -1.70 115.31 119.18 3at1 h LEU 32 Ca -0.03 0.19 0.00 0.00 0.08 0.00 0.00 57.88 58.12 3at1 h LEU 32 Cb 0.19 0.59 0.00 0.00 1.08 0.00 0.00 40.66 42.53 3at1 h LEU 32 CO 0.04 -0.36 0.00 0.49 -1.08 0.00 0.00 178.44 177.53 3at1 n PHE 33 N -4.90 0.29 -2.93 1.13 3.01 -0.95 -4.90 117.46 108.21 3at1 n PHE 33 Ca -0.04 -0.12 -0.13 0.00 1.01 0.00 0.00 57.45 58.17 3at1 n PHE 33 Cb 0.29 -0.07 -0.01 0.00 -0.01 0.00 0.00 39.48 39.68 3at1 n PHE 33 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3at1 n LYS 34 N 0.02 -2.63 0.25 -1.08 5.02 -0.64 -4.77 118.16 114.32 3at1 n LYS 34 Ca 0.05 0.26 0.10 0.00 -2.02 0.00 0.00 58.31 56.70 3at1 n LYS 34 Cb 0.25 -4.84 0.63 0.00 -0.02 0.00 0.00 35.03 31.06 3at1 n LYS 34 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3at1 h LEU 35 N -0.32 0.00 -1.46 -0.35 3.38 -1.77 -2.87 115.31 111.93 3at1 h LEU 35 Ca -0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 3at1 h LEU 35 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3at1 h LEU 35 CO 0.31 0.16 -0.27 0.71 0.09 0.00 0.00 178.44 179.43 3at1 h THR 36 N 0.00 1.03 -1.53 0.22 1.35 -1.86 -3.39 112.91 108.73 3at1 h THR 36 Ca -0.00 -0.99 -0.69 0.00 -0.55 0.00 0.00 66.41 64.18 3at1 h THR 36 Cb 0.37 1.56 -0.13 0.00 -1.73 0.00 0.00 68.15 68.23 3at1 h THR 36 CO 0.02 0.27 1.64 -1.61 -0.25 0.00 0.00 175.52 175.59 3at1 s GLU 37 N -4.22 3.91 0.13 4.72 2.02 -1.09 -4.81 118.70 119.36 3at1 s GLU 37 Ca -0.03 -2.02 -0.10 0.00 0.02 0.00 0.00 54.97 52.85 3at1 s GLU 37 Cb 0.14 -5.28 -0.00 0.00 0.10 0.00 0.00 34.13 29.09 3at1 s GLU 37 CO 0.68 -2.03 0.26 0.99 0.02 0.00 0.00 175.26 175.19 3at1 s THR 38 N 3.29 0.10 -0.12 3.63 2.01 -1.26 -5.07 115.64 118.22 3at1 s THR 38 Ca 0.46 -1.23 0.12 0.00 0.31 0.00 0.00 61.69 61.35 3at1 s THR 38 Cb 0.00 -1.59 -0.24 0.00 0.01 0.00 0.00 72.50 70.69 3at1 s THR 38 CO 0.00 -0.43 0.37 0.47 -0.69 0.00 0.00 174.62 174.34 3at1 n ASP 39 N -0.16 0.79 -4.84 3.53 10.43 -1.26 -5.02 116.55 120.02 3at1 n ASP 39 Ca -0.11 0.22 -0.32 0.00 2.57 0.00 0.00 54.79 57.15 3at1 n ASP 39 Cb 0.63 0.18 -0.01 0.00 1.84 0.00 0.00 41.12 43.76 3at1 n ASP 39 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3at1 s GLN 40 N -2.55 3.66 0.16 -1.24 -1.52 -1.26 -4.97 119.66 111.93 3at1 s GLN 40 Ca -0.10 0.94 -0.31 0.00 -1.95 0.00 0.00 55.36 53.93 3at1 s GLN 40 Cb 0.07 -2.09 -0.11 0.00 -0.22 0.00 0.00 33.01 30.66 3at1 s GLN 40 CO 0.80 -0.52 1.77 1.03 -0.25 0.00 0.00 175.29 178.13 3at1 s ARG 41 N -4.48 4.14 -0.01 2.91 0.52 -1.26 -4.78 118.95 115.99 3at1 s ARG 41 Ca 0.58 2.58 0.06 0.00 -0.52 0.00 0.00 55.73 58.44 3at1 s ARG 41 Cb -0.12 -3.35 -0.03 0.00 0.52 0.00 0.00 34.95 31.97 3at1 s ARG 41 CO 0.41 -0.79 -0.19 0.42 0.02 0.00 0.00 175.30 175.17 3at1 s ILE 42 N 2.00 2.71 -0.02 1.52 1.01 -1.26 -1.06 121.20 126.11 3at1 s ILE 42 Ca 0.78 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 60.48 3at1 s ILE 42 Cb -0.47 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 39.94 3at1 s ILE 42 CO 0.34 0.51 -0.08 0.42 0.00 0.00 0.00 174.94 176.13 3at1 s THR 43 N -0.76 0.71 -0.06 2.92 -4.23 -0.32 -4.99 115.64 108.92 3at1 s THR 43 Ca 0.12 -0.33 0.02 0.00 -1.18 0.00 0.00 61.69 60.32 3at1 s THR 43 Cb -0.10 -0.64 0.02 0.00 1.34 0.00 0.00 72.50 73.12 3at1 s THR 43 CO 0.02 0.22 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.58 3at1 s ILE 44 N 0.17 1.02 -0.18 2.99 1.09 -1.26 -0.16 121.20 124.86 3at1 s ILE 44 Ca -0.02 -0.40 -0.05 0.00 -1.10 0.00 0.00 60.65 59.07 3at1 s ILE 44 Cb -0.08 -0.95 -0.03 0.00 -1.06 0.00 0.00 42.46 40.35 3at1 s ILE 44 CO 0.00 0.33 0.00 -0.83 -0.10 0.00 0.00 174.94 174.35 3at1 s GLY 45 N 0.74 1.76 -0.04 6.18 0.00 -0.04 -4.98 107.32 110.94 3at1 s GLY 45 Ca -0.13 -0.88 0.06 0.00 0.00 0.00 0.00 44.72 43.77 3at1 s GLY 45 CO 0.03 0.10 -0.22 1.08 0.00 0.00 0.00 173.10 174.09 3at1 s LEU 46 N 0.65 2.01 -0.86 0.66 1.02 -1.26 -0.02 118.68 120.88 3at1 s LEU 46 Ca -0.00 -0.43 -0.04 0.00 0.02 0.00 0.00 54.13 53.67 3at1 s LEU 46 Cb -0.14 -1.19 -0.05 0.00 0.02 0.00 0.00 46.19 44.83 3at1 s LEU 46 CO 0.02 0.23 0.76 0.59 0.02 0.00 0.00 176.35 177.97 3at1 n ASN 47 N 2.88 -6.20 -4.95 2.29 3.02 -1.11 -4.97 115.26 106.21 3at1 n ASN 47 Ca -0.17 -0.52 -0.22 0.00 -0.03 0.00 0.00 54.58 53.64 3at1 n ASN 47 Cb 0.52 -4.61 0.01 0.00 -0.61 0.00 0.00 39.78 35.09 3at1 n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3at1 s LEU 48 N -4.84 3.10 0.24 3.41 1.43 -0.22 -4.96 118.68 116.85 3at1 s LEU 48 Ca 0.33 -0.91 0.10 0.00 -1.03 0.00 0.00 54.13 52.62 3at1 s LEU 48 Cb -0.04 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 3at1 s LEU 48 CO 0.64 -1.04 -0.18 -2.16 0.23 0.00 0.00 176.35 173.84 3at1 s PRO 49 N -4.38 1.52 0.00 1.29 0.05 -1.26 -3.61 135.00 128.61 3at1 s PRO 49 Ca 0.49 -1.67 0.00 0.00 0.05 0.00 0.00 61.00 59.87 3at1 s PRO 49 Cb -0.04 -1.52 0.00 0.00 0.05 0.00 0.00 34.50 32.98 3at1 s PRO 49 CO 0.30 0.28 0.00 -1.13 0.05 0.00 0.00 177.00 176.50 3at1 n SER 50 N -0.42 0.00 0.00 6.66 3.41 -1.26 -0.08 113.62 121.93 3at1 n SER 50 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3at1 n SER 50 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 3at1 n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3at1 n GLY 51 N 0.00 4.28 3.44 5.00 0.00 -1.26 -4.97 105.19 111.68 3at1 n GLY 51 Ca 0.00 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 3at1 n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3at1 s GLU 52 N -4.97 -2.24 0.00 1.61 0.41 -1.26 -4.64 118.70 107.60 3at1 s GLU 52 Ca 0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.55 3at1 s GLU 52 Cb 0.00 -1.47 0.00 0.00 -1.78 0.00 0.00 34.13 30.88 3at1 s GLU 52 CO 0.00 -4.40 0.00 -1.33 -0.49 0.00 0.00 175.26 169.04 3at1 n MET 53 N -5.26 0.00 0.00 1.61 2.81 -1.26 -4.81 117.12 110.21 3at1 n MET 53 Ca 0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 3at1 n MET 53 Cb 0.60 -2.79 0.00 0.00 -0.71 0.00 0.00 33.22 30.32 3at1 n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3at1 n GLY 54 N -0.93 0.46 3.74 3.03 0.00 -1.26 -4.81 105.19 105.41 3at1 n GLY 54 Ca 0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3at1 n GLY 54 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3at1 s ARG 55 N 0.00 3.74 -0.24 1.61 1.70 -1.26 -4.58 118.95 119.92 3at1 s ARG 55 Ca 0.00 -0.25 -0.26 0.00 -0.47 0.00 0.00 55.73 54.75 3at1 s ARG 55 Cb 0.00 -3.21 0.07 0.00 -0.57 0.00 0.00 34.95 31.25 3at1 s ARG 55 CO 0.00 0.49 0.73 -1.59 -1.08 0.00 0.00 175.30 173.85 3at1 s LYS 56 N -0.23 0.85 0.49 3.89 -2.85 -1.16 -4.58 119.74 116.16 3at1 s LYS 56 Ca 0.09 0.88 0.02 0.00 -1.00 0.00 0.00 55.97 55.97 3at1 s LYS 56 Cb -0.12 0.41 0.02 0.00 -2.06 0.00 0.00 37.83 36.08 3at1 s LYS 56 CO 0.01 -0.13 0.70 -0.51 0.10 0.00 0.00 175.35 175.53 3at1 s ASP 57 N 0.17 5.53 -0.07 0.03 1.11 -1.18 -1.05 116.67 121.20 3at1 s ASP 57 Ca -0.01 0.02 -0.08 0.00 0.18 0.00 0.00 52.55 52.66 3at1 s ASP 57 Cb -0.04 -1.07 0.02 0.00 1.07 0.00 0.00 42.92 42.90 3at1 s ASP 57 CO 0.02 -0.93 0.23 -0.22 1.18 0.00 0.00 175.17 175.45 3at1 s LEU 58 N -4.62 1.15 -0.04 1.23 0.20 0.96 -2.88 118.68 114.68 3at1 s LEU 58 Ca 0.54 0.37 0.02 0.00 0.69 0.00 0.00 54.13 55.74 3at1 s LEU 58 Cb -0.10 0.81 0.01 0.00 -0.43 0.00 0.00 46.19 46.48 3at1 s LEU 58 CO 0.37 -0.14 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.59 3at1 s ILE 59 N -0.14 0.73 -0.11 6.68 1.01 -0.72 -0.86 121.20 127.78 3at1 s ILE 59 Ca -0.03 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.37 3at1 s ILE 59 Cb -0.03 -0.69 0.01 0.00 0.01 0.00 0.00 42.46 41.77 3at1 s ILE 59 CO 0.01 0.25 -0.16 -0.54 0.00 0.00 0.00 174.94 174.50 3at1 s LYS 60 N 0.56 2.33 -0.22 2.79 1.02 0.77 -1.05 119.74 125.94 3at1 s LYS 60 Ca -0.09 -0.60 0.02 0.00 0.02 0.00 0.00 55.97 55.32 3at1 s LYS 60 Cb -0.12 -1.96 0.04 0.00 -0.52 0.00 0.00 37.83 35.27 3at1 s LYS 60 CO 0.01 -0.05 -0.13 0.42 -0.92 0.00 0.00 175.35 174.68 3at1 s ILE 61 N 0.96 1.95 0.44 2.17 1.09 -0.25 -1.17 121.20 126.39 3at1 s ILE 61 Ca -0.07 -1.25 -0.17 0.00 -1.10 0.00 0.00 60.65 58.06 3at1 s ILE 61 Cb -0.15 -1.98 -0.09 0.00 -1.06 0.00 0.00 42.46 39.18 3at1 s ILE 61 CO -0.02 0.17 0.90 -1.83 -0.10 0.00 0.00 174.94 174.06 3at1 s GLU 62 N 1.25 4.01 -1.75 2.79 -1.05 -0.22 -1.29 118.70 122.45 3at1 s GLU 62 Ca -0.03 0.88 0.00 0.00 -0.15 0.00 0.00 54.97 55.67 3at1 s GLU 62 Cb -0.17 -2.23 0.00 0.00 -0.44 0.00 0.00 34.13 31.29 3at1 s GLU 62 CO -0.08 -0.10 0.00 0.09 0.95 0.00 0.00 175.26 176.12 3at1 n ASN 63 N -1.07 -5.06 -4.14 0.83 3.02 0.25 -4.62 115.26 104.47 3at1 n ASN 63 Ca 0.06 0.25 -0.22 0.00 -0.03 0.00 0.00 54.58 54.64 3at1 n ASN 63 Cb 0.54 -4.38 -0.14 0.00 -0.61 0.00 0.00 39.78 35.19 3at1 n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3at1 s THR 64 N -2.73 1.19 -0.07 3.41 2.01 -1.23 -4.94 115.64 113.27 3at1 s THR 64 Ca 0.00 -0.85 -0.00 0.00 0.31 0.00 0.00 61.69 61.15 3at1 s THR 64 Cb 0.00 -1.04 0.02 0.00 0.01 0.00 0.00 72.50 71.50 3at1 s THR 64 CO 0.00 0.18 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.71 3at1 s PHE 65 N -0.60 0.96 -1.55 4.92 0.40 -1.26 -1.64 117.98 119.20 3at1 s PHE 65 Ca 0.04 -0.36 -0.09 0.00 -0.60 0.00 0.00 56.93 55.92 3at1 s PHE 65 Cb -0.07 -0.90 -0.03 0.00 0.51 0.00 0.00 43.02 42.53 3at1 s PHE 65 CO 0.00 -0.34 2.77 1.28 0.70 0.00 0.00 175.22 179.64 3at1 n LEU 66 N 4.71 8.44 -4.47 -0.37 4.77 -1.26 -4.90 117.00 123.92 3at1 n LEU 66 Ca -0.14 -4.47 -0.49 0.00 -0.03 0.00 0.00 56.01 50.88 3at1 n LEU 66 Cb 0.50 -1.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.01 3at1 n LEU 66 CO 0.17 1.99 1.82 -1.20 -1.33 0.00 0.00 177.39 178.83 3at1 n SER 67 N 3.40 2.32 0.00 -1.43 7.64 -1.26 -3.22 113.62 121.06 3at1 n SER 67 Ca 0.73 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.96 3at1 n SER 67 Cb 0.25 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 3at1 n SER 67 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3at1 n GLU 68 N 8.32 0.00 0.09 1.43 4.71 -1.26 -2.88 120.64 131.05 3at1 n GLU 68 Ca 0.39 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.68 3at1 n GLU 68 Cb 0.27 0.00 0.44 0.00 -1.01 0.00 0.00 31.44 31.14 3at1 n GLU 68 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 3at1 n ASP 69 N 0.23 0.67 -0.05 1.62 3.85 -1.26 -2.36 116.55 119.24 3at1 n ASP 69 Ca 0.00 0.55 -0.05 0.00 -0.71 0.00 0.00 54.79 54.58 3at1 n ASP 69 Cb 0.00 -0.72 0.15 0.00 -1.35 0.00 0.00 41.12 39.19 3at1 n ASP 69 CO 0.00 0.00 0.00 1.56 -1.01 0.00 0.00 177.20 177.75 3at1 h GLN 70 N 0.00 0.66 -0.22 0.11 4.20 -1.71 -2.32 115.11 115.83 3at1 h GLN 70 Ca 0.00 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.41 3at1 h GLN 70 Cb 0.70 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 3at1 h GLN 70 CO 0.00 0.81 -0.09 0.28 -0.67 0.00 0.00 178.83 179.16 3at1 h VAL 71 N 0.58 1.30 -0.40 -0.54 2.07 -1.44 -3.23 116.25 114.60 3at1 h VAL 71 Ca 0.09 -1.14 0.03 0.00 0.82 0.00 0.00 66.70 66.50 3at1 h VAL 71 Cb 0.66 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 3at1 h VAL 71 CO 0.05 0.35 0.27 0.44 0.02 0.00 0.00 177.57 178.70 3at1 h ASP 72 N 0.18 0.36 0.00 0.57 5.19 -1.45 -0.35 116.42 120.92 3at1 h ASP 72 Ca 0.05 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3at1 h ASP 72 Cb 0.58 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.00 3at1 h ASP 72 CO 0.03 0.25 0.02 1.56 -3.12 0.00 0.00 179.24 177.98 3at1 h GLN 73 N 0.42 0.00 0.00 3.56 1.08 -1.43 -0.70 115.11 118.04 3at1 h GLN 73 Ca 0.17 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.28 3at1 h GLN 73 Cb 0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 3at1 h GLN 73 CO -0.04 0.00 -0.43 -0.07 -0.95 0.00 0.00 178.83 177.35 3at1 h LEU 74 N 0.00 0.00 -0.91 1.46 3.38 -1.17 -3.40 115.31 114.67 3at1 h LEU 74 Ca 0.00 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.22 3at1 h LEU 74 Cb 0.04 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.64 3at1 h LEU 74 CO 0.00 0.43 0.27 0.00 0.09 0.00 0.00 178.44 179.23 3at1 h ALA 75 N 1.57 1.39 0.00 1.53 0.00 -1.25 0.35 119.26 122.85 3at1 h ALA 75 Ca -0.00 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3at1 h ALA 75 Cb 1.22 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 3at1 h ALA 75 CO 0.06 -0.50 -0.13 -0.07 0.00 0.00 0.00 179.25 178.60 3at1 h LEU 76 N 0.20 0.00 0.00 0.00 3.38 -1.80 -2.08 115.31 115.01 3at1 h LEU 76 Ca 0.59 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.27 3at1 h LEU 76 Cb 1.23 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 3at1 h LEU 76 CO -0.67 0.13 -2.10 -1.22 0.09 0.00 0.00 178.44 174.67 3at1 n TYR 77 N -3.64 0.00 -3.27 1.13 4.01 0.89 -4.75 117.16 111.53 3at1 n TYR 77 Ca -0.02 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.47 3at1 n TYR 77 Cb 0.25 -0.75 -0.07 0.00 -0.31 0.00 0.00 39.34 38.46 3at1 n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3at1 n ALA 78 N -2.97 3.24 0.30 -0.72 0.00 0.70 -4.76 120.51 116.30 3at1 n ALA 78 Ca -0.33 -4.06 0.17 0.00 0.00 0.00 0.00 53.44 49.22 3at1 n ALA 78 Cb 0.89 -0.85 0.95 0.00 0.00 0.00 0.00 19.45 20.45 3at1 n ALA 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3at1 h PRO 79 N 3.94 0.00 -0.35 0.00 0.13 -1.53 -1.78 132.00 132.42 3at1 h PRO 79 Ca 0.13 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.22 3at1 h PRO 79 Cb 0.77 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.87 3at1 h PRO 79 CO 0.65 0.03 0.02 1.04 -0.23 0.00 0.00 178.00 179.51 3at1 n GLN 80 N -3.47 3.06 -1.99 0.86 6.02 -1.26 -4.48 117.38 116.12 3at1 n GLN 80 Ca -0.02 -2.94 -0.33 0.00 -0.01 0.00 0.00 57.00 53.69 3at1 n GLN 80 Cb 0.14 -1.92 0.02 0.00 1.02 0.00 0.00 30.24 29.50 3at1 n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3at1 s ALA 81 N -2.90 2.61 -0.11 -1.58 0.00 -0.67 -4.89 121.76 114.22 3at1 s ALA 81 Ca 0.45 0.59 0.02 0.00 0.00 0.00 0.00 51.96 53.01 3at1 s ALA 81 Cb 0.37 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 3at1 s ALA 81 CO 0.09 -1.00 -0.18 0.99 0.00 0.00 0.00 175.76 175.67 3at1 s THR 82 N -2.20 2.65 -0.25 0.00 2.01 0.01 -3.95 115.64 113.91 3at1 s THR 82 Ca 0.68 -0.81 -0.06 0.00 0.31 0.00 0.00 61.69 61.81 3at1 s THR 82 Cb -0.20 -2.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 3at1 s THR 82 CO 0.36 0.54 0.02 -0.69 -0.69 0.00 0.00 174.62 174.16 3at1 s VAL 83 N 0.30 3.81 -0.13 3.82 1.01 0.51 -0.92 120.40 128.80 3at1 s VAL 83 Ca -0.13 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 3at1 s VAL 83 Cb -0.16 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 3at1 s VAL 83 CO 0.07 0.30 -0.07 0.20 0.00 0.00 0.00 175.10 175.59 3at1 s ASN 84 N 1.52 4.54 -0.22 3.32 0.01 0.56 -1.57 114.94 123.09 3at1 s ASN 84 Ca 0.05 -0.16 -0.15 0.00 -0.71 0.00 0.00 52.86 51.89 3at1 s ASN 84 Cb -0.15 -1.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.86 3at1 s ASN 84 CO 0.00 0.21 0.35 -0.60 -1.51 0.00 0.00 177.10 175.56 3at1 s ARG 85 N 0.11 4.12 -0.03 -0.60 3.52 -0.40 -0.87 118.95 124.81 3at1 s ARG 85 Ca -0.03 0.09 0.07 0.00 -0.13 0.00 0.00 55.73 55.73 3at1 s ARG 85 Cb -0.14 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.67 3at1 s ARG 85 CO 0.03 -0.08 -0.23 0.42 -0.81 0.00 0.00 175.30 174.64 3at1 s ILE 86 N 1.44 1.84 -0.15 4.11 1.09 -0.34 -1.01 121.20 128.18 3at1 s ILE 86 Ca 0.16 -0.98 -0.07 0.00 -1.10 0.00 0.00 60.65 58.66 3at1 s ILE 86 Cb -0.15 -1.54 0.06 0.00 -1.06 0.00 0.00 42.46 39.78 3at1 s ILE 86 CO 0.08 0.52 0.35 -0.62 -0.10 0.00 0.00 174.94 175.17 3at1 s ASP 87 N -0.42 -0.31 -1.09 3.58 -1.08 -0.11 -1.64 116.67 115.60 3at1 s ASP 87 Ca 0.05 0.78 -0.21 0.00 -0.52 0.00 0.00 52.55 52.66 3at1 s ASP 87 Cb -0.10 0.76 0.01 0.00 -1.46 0.00 0.00 42.92 42.13 3at1 s ASP 87 CO 0.00 -0.20 0.73 -3.20 0.52 0.00 0.00 175.17 173.02 3at1 n ASN 88 N 4.56 -5.05 0.00 -0.34 5.15 -1.26 -1.15 115.26 117.17 3at1 n ASN 88 Ca -0.20 -1.04 0.00 0.00 -0.60 0.00 0.00 54.58 52.74 3at1 n ASN 88 Cb 0.53 -2.68 0.00 0.00 -0.53 0.00 0.00 39.78 37.10 3at1 n ASN 88 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3at1 n TYR 89 N -4.07 0.00 -4.39 1.20 4.01 -1.23 -4.96 117.16 107.72 3at1 n TYR 89 Ca -0.13 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.41 3at1 n TYR 89 Cb 0.59 -1.21 -0.13 0.00 -0.31 0.00 0.00 39.34 38.28 3at1 n TYR 89 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3at1 s GLU 90 N -0.93 0.96 -0.65 -0.72 0.41 -0.30 -4.97 118.70 112.50 3at1 s GLU 90 Ca 0.00 -0.74 -0.26 0.00 -0.41 0.00 0.00 54.97 53.56 3at1 s GLU 90 Cb 0.00 -0.97 -0.04 0.00 -1.78 0.00 0.00 34.13 31.34 3at1 s GLU 90 CO 0.00 0.24 2.00 0.08 -0.49 0.00 0.00 175.26 177.09 3at1 s VAL 91 N -0.80 3.29 -1.06 2.63 1.01 -1.26 -0.94 120.40 123.27 3at1 s VAL 91 Ca 0.02 0.06 0.29 0.00 0.00 0.00 0.00 61.98 62.35 3at1 s VAL 91 Cb -0.08 -3.75 0.28 0.00 0.00 0.00 0.00 36.38 32.83 3at1 s VAL 91 CO 0.01 -0.72 1.94 0.55 0.00 0.00 0.00 175.10 176.88 3at1 n VAL 92 N 7.54 0.01 -3.59 2.92 3.14 -0.18 -4.91 118.33 123.26 3at1 n VAL 92 Ca 0.28 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.61 3at1 n VAL 92 Cb 0.51 -0.51 -0.03 0.00 -1.06 0.00 0.00 33.84 32.76 3at1 n VAL 92 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3at1 s GLY 93 N -2.94 -0.24 -0.06 7.55 0.00 -1.18 -4.99 107.32 105.46 3at1 s GLY 93 Ca 0.16 1.83 -0.03 0.00 0.00 0.00 0.00 44.72 46.68 3at1 s GLY 93 CO 0.52 0.69 0.14 0.54 0.00 0.00 0.00 173.10 174.99 3at1 s LYS 94 N -2.04 0.10 0.02 2.90 1.02 -1.26 -1.27 119.74 119.21 3at1 s LYS 94 Ca 0.07 0.34 0.01 0.00 0.02 0.00 0.00 55.97 56.41 3at1 s LYS 94 Cb -0.01 -0.14 -0.02 0.00 -0.52 0.00 0.00 37.83 37.14 3at1 s LYS 94 CO -0.05 -0.14 -0.05 -1.54 -0.92 0.00 0.00 175.35 172.65 3at1 s SER 95 N 0.99 0.57 0.39 2.83 1.04 -0.61 -4.95 113.70 113.96 3at1 s SER 95 Ca -0.08 -0.40 -0.00 0.00 0.48 0.00 0.00 55.95 55.95 3at1 s SER 95 Cb -0.10 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 3at1 s SER 95 CO -0.05 -0.16 0.62 -0.13 0.98 0.00 0.00 173.24 174.50 3at1 s ARG 96 N -1.13 3.37 0.44 4.02 1.81 -1.26 -0.36 118.95 125.84 3at1 s ARG 96 Ca -0.08 -0.31 -0.22 0.00 -1.72 0.00 0.00 55.73 53.40 3at1 s ARG 96 Cb -0.08 -2.59 -0.08 0.00 -0.45 0.00 0.00 34.95 31.75 3at1 s ARG 96 CO -0.00 -0.02 1.07 -1.25 -0.68 0.00 0.00 175.30 174.42 3at1 s PRO 97 N -4.44 3.94 0.22 3.54 0.04 -1.25 -4.89 135.00 132.16 3at1 s PRO 97 Ca 0.43 1.52 0.09 0.00 0.04 0.00 0.00 61.00 63.09 3at1 s PRO 97 Cb -0.10 -2.36 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 3at1 s PRO 97 CO 0.38 -0.34 -0.17 -1.12 0.04 0.00 0.00 177.00 175.79 3at1 s SER 98 N -1.65 2.91 -0.02 6.66 0.01 -1.26 -4.85 113.70 115.49 3at1 s SER 98 Ca 0.62 -1.01 -0.30 0.00 1.31 0.00 0.00 55.95 56.58 3at1 s SER 98 Cb -0.22 -0.19 -0.06 0.00 0.21 0.00 0.00 66.02 65.76 3at1 s SER 98 CO 0.27 -0.09 1.62 -0.22 0.41 0.00 0.00 173.24 175.23 3at1 s LEU 99 N -3.30 4.33 0.62 2.44 2.96 -1.26 -4.43 118.68 120.03 3at1 s LEU 99 Ca 0.24 2.26 -0.13 0.00 -0.22 0.00 0.00 54.13 56.29 3at1 s LEU 99 Cb -0.03 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 3at1 s LEU 99 CO 0.09 -0.89 1.03 -2.16 -1.32 0.00 0.00 176.35 173.11 3at1 s PRO 100 N 3.56 3.47 0.42 0.98 0.04 -1.26 -4.95 135.00 137.25 3at1 s PRO 100 Ca 0.72 0.89 0.28 0.00 0.04 0.00 0.00 61.00 62.93 3at1 s PRO 100 Cb -0.34 -2.06 0.94 0.00 0.04 0.00 0.00 34.50 33.08 3at1 s PRO 100 CO 0.29 -0.67 1.80 1.05 0.04 0.00 0.00 177.00 179.52 3at1 h GLU 101 N -0.10 0.00 -2.38 4.56 4.11 -1.94 -3.41 114.58 115.42 3at1 h GLU 101 Ca -0.45 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.91 3at1 h GLU 101 Cb 1.20 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.22 3at1 h GLU 101 CO 0.60 0.00 -0.10 0.50 0.07 0.00 0.00 179.01 180.08 3at1 s ARG 102 N -3.40 0.61 -0.18 1.06 3.52 -1.26 -0.90 118.95 118.39 3at1 s ARG 102 Ca 0.05 0.86 -0.03 0.00 -0.13 0.00 0.00 55.73 56.47 3at1 s ARG 102 Cb 0.08 0.21 -0.02 0.00 -1.56 0.00 0.00 34.95 33.67 3at1 s ARG 102 CO 0.56 -0.11 -0.05 0.42 -0.81 0.00 0.00 175.30 175.31 3at1 s ILE 103 N 0.76 3.59 0.22 4.11 1.01 0.19 -4.95 121.20 126.13 3at1 s ILE 103 Ca -0.04 -0.44 0.09 0.00 0.00 0.00 0.00 60.65 60.26 3at1 s ILE 103 Cb -0.05 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 3at1 s ILE 103 CO -0.06 0.46 -0.04 -1.81 0.00 0.00 0.00 174.94 173.49 3at1 s ASP 104 N 0.90 4.43 0.00 3.58 1.11 -1.26 -0.61 116.67 124.81 3at1 s ASP 104 Ca -0.01 -0.61 0.00 0.00 0.18 0.00 0.00 52.55 52.12 3at1 s ASP 104 Cb -0.15 -0.80 0.00 0.00 1.07 0.00 0.00 42.92 43.04 3at1 s ASP 104 CO 0.01 0.05 0.00 0.59 1.18 0.00 0.00 175.17 177.00 3at1 n ASN 105 N -0.45 0.00 -0.01 0.27 3.02 -0.95 -4.62 115.26 112.52 3at1 n ASN 105 Ca -0.08 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.56 3at1 n ASN 105 Cb 0.57 -0.30 -0.13 0.00 -0.61 0.00 0.00 39.78 39.31 3at1 n ASN 105 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3at1 n VAL 106 N -0.70 0.00 -3.35 2.41 0.31 -1.26 -4.67 118.33 111.06 3at1 n VAL 106 Ca 0.00 -0.29 -0.19 0.00 -0.01 0.00 0.00 64.34 63.85 3at1 n VAL 106 Cb 0.00 0.42 -0.00 0.00 -0.91 0.00 0.00 33.84 33.35 3at1 n VAL 106 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3at1 s LEU 107 N -3.74 3.90 -0.05 7.52 1.43 -1.26 -5.10 118.68 121.37 3at1 s LEU 107 Ca -0.02 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 3at1 s LEU 107 Cb 0.12 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.61 3at1 s LEU 107 CO 0.75 -0.51 -0.14 -0.69 0.23 0.00 0.00 176.35 175.99 3at1 s VAL 108 N -2.22 1.23 0.02 -1.59 1.01 -1.26 -4.65 120.40 112.94 3at1 s VAL 108 Ca 0.47 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 3at1 s VAL 108 Cb -0.10 -1.08 -0.07 0.00 0.00 0.00 0.00 36.38 35.13 3at1 s VAL 108 CO 0.32 0.37 1.68 0.00 0.00 0.00 0.00 175.10 177.46 3at1 h PRO 110 N 9.03 0.06 -6.21 0.00 0.11 -1.94 -3.41 132.00 129.64 3at1 h PRO 110 Ca -0.42 -0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.13 3at1 h PRO 110 Cb 1.20 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 3at1 h PRO 110 CO 0.94 0.04 0.32 1.21 -0.21 0.00 0.00 178.00 180.29 3at1 s ASN 111 N -6.82 7.18 0.03 -2.05 2.47 -1.26 -4.95 114.94 109.54 3at1 s ASN 111 Ca -0.05 1.43 0.26 0.00 0.42 0.00 0.00 52.86 54.91 3at1 s ASN 111 Cb 0.18 -2.50 0.62 0.00 -1.45 0.00 0.00 41.25 38.10 3at1 s ASN 111 CO 0.69 -0.26 1.50 -1.54 -3.72 0.00 0.00 177.10 173.77 3at1 n SER 112 N 4.21 0.45 -0.42 -4.21 3.41 -1.26 -3.17 113.62 112.63 3at1 n SER 112 Ca 0.04 -0.02 0.09 0.00 -0.26 0.00 0.00 58.87 58.72 3at1 n SER 112 Cb 0.50 0.07 0.35 0.00 -0.26 0.00 0.00 64.21 64.88 3at1 n SER 112 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3at1 n ASN 113 N -1.63 1.27 -4.73 4.04 5.15 -1.26 -4.85 115.26 113.24 3at1 n ASN 113 Ca 0.05 -1.71 -0.41 0.00 -0.60 0.00 0.00 54.58 51.91 3at1 n ASN 113 Cb 0.36 -0.10 -0.03 0.00 -0.53 0.00 0.00 39.78 39.48 3at1 n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3at1 h ILE 115 N 3.93 0.24 -0.60 0.00 6.09 -1.90 -2.73 117.51 122.53 3at1 h ILE 115 Ca -0.44 0.00 0.10 0.00 -1.37 0.00 0.00 64.86 63.16 3at1 h ILE 115 Cb 1.21 0.85 -0.08 0.00 0.47 0.00 0.00 36.82 39.27 3at1 h ILE 115 CO 0.78 0.00 0.17 0.77 -3.07 0.00 0.00 178.15 176.80 3at1 h SER 116 N 0.00 0.10 0.02 2.19 4.64 -1.93 -2.56 113.55 116.01 3at1 h SER 116 Ca 0.04 0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3at1 h SER 116 Cb 0.39 0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3at1 h SER 116 CO -0.00 0.06 -0.00 0.45 -0.87 0.00 0.00 176.83 176.47 3at1 h HIS 117 N 0.32 0.00 0.00 4.77 3.86 -1.85 -1.57 115.15 120.68 3at1 h HIS 117 Ca 0.31 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 3at1 h HIS 117 Cb 0.43 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.90 3at1 h HIS 117 CO -0.21 0.00 -0.78 0.00 0.86 0.00 0.00 177.93 177.80 3at1 n ALA 118 N -2.24 3.46 -2.74 2.45 0.00 -0.98 -5.04 120.51 115.42 3at1 n ALA 118 Ca -0.03 -0.35 -0.25 0.00 0.00 0.00 0.00 53.44 52.80 3at1 n ALA 118 Cb 0.08 -0.46 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 3at1 n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3at1 s GLU 119 N -2.34 2.68 -0.15 0.00 0.41 -0.59 -4.98 118.70 113.74 3at1 s GLU 119 Ca 0.03 -1.03 -0.02 0.00 -0.41 0.00 0.00 54.97 53.54 3at1 s GLU 119 Cb 0.09 -2.49 -0.07 0.00 -1.78 0.00 0.00 34.13 29.88 3at1 s GLU 119 CO 0.53 0.45 1.58 -0.35 -0.49 0.00 0.00 175.26 176.98 3at1 n PRO 120 N -0.47 0.83 -4.37 0.39 -0.04 -1.26 -4.79 135.00 125.29 3at1 n PRO 120 Ca -0.08 -0.53 -0.27 0.00 -0.04 0.00 0.00 63.50 62.57 3at1 n PRO 120 Cb 0.56 -1.83 -0.12 0.00 -0.04 0.00 0.00 33.50 32.06 3at1 n PRO 120 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3at1 s VAL 121 N 2.79 2.15 0.25 0.52 -7.23 -1.26 -5.14 120.40 112.47 3at1 s VAL 121 Ca 0.23 -1.79 -0.07 0.00 -1.81 0.00 0.00 61.98 58.53 3at1 s VAL 121 Cb 0.09 -1.93 -0.06 0.00 0.56 0.00 0.00 36.38 35.04 3at1 s VAL 121 CO -0.01 -0.01 0.54 -0.44 -0.31 0.00 0.00 175.10 174.87 3at1 s SER 122 N -2.21 6.54 0.70 4.85 0.01 -1.26 -5.03 113.70 117.30 3at1 s SER 122 Ca 0.14 0.82 -0.15 0.00 1.31 0.00 0.00 55.95 58.07 3at1 s SER 122 Cb -0.09 -2.18 0.02 0.00 0.21 0.00 0.00 66.02 63.98 3at1 s SER 122 CO 0.07 -0.12 1.18 -0.94 0.41 0.00 0.00 173.24 173.84 3at1 s SER 123 N -2.69 4.50 -0.14 2.44 1.04 -1.26 -4.85 113.70 112.74 3at1 s SER 123 Ca 0.46 2.26 -0.07 0.00 0.48 0.00 0.00 55.95 59.08 3at1 s SER 123 Cb -0.11 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.49 3at1 s SER 123 CO 0.25 -2.06 0.31 -0.55 0.98 0.00 0.00 173.24 172.18 3at1 s SER 124 N -2.16 -0.24 -0.11 7.02 0.15 -1.26 -2.24 113.70 114.86 3at1 s SER 124 Ca 0.72 0.69 0.02 0.00 0.70 0.00 0.00 55.95 58.08 3at1 s SER 124 Cb -0.27 0.64 0.01 0.00 -1.71 0.00 0.00 66.02 64.70 3at1 s SER 124 CO 0.43 -0.19 -0.17 -0.36 1.20 0.00 0.00 173.24 174.16 3at1 s PHE 125 N 1.60 2.12 0.35 3.44 0.40 0.22 -1.58 117.98 124.53 3at1 s PHE 125 Ca -0.07 -1.01 -0.20 0.00 -0.60 0.00 0.00 56.93 55.05 3at1 s PHE 125 Cb -0.10 -1.50 -0.10 0.00 0.51 0.00 0.00 43.02 41.83 3at1 s PHE 125 CO -0.10 -0.50 0.85 0.00 0.70 0.00 0.00 175.22 176.17 3at1 s ALA 126 N 0.94 3.21 -0.10 5.36 0.00 -0.48 -0.64 121.76 130.04 3at1 s ALA 126 Ca -0.07 0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 3at1 s ALA 126 Cb -0.15 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 3at1 s ALA 126 CO -0.01 0.23 -0.03 0.08 0.00 0.00 0.00 175.76 176.02 3at1 s VAL 127 N -1.93 4.02 -0.05 0.00 1.01 -0.08 -1.34 120.40 122.03 3at1 s VAL 127 Ca 0.55 -0.34 -0.23 0.00 0.00 0.00 0.00 61.98 61.96 3at1 s VAL 127 Cb -0.12 -2.70 0.05 0.00 0.00 0.00 0.00 36.38 33.61 3at1 s VAL 127 CO 0.17 0.57 0.51 0.00 0.00 0.00 0.00 175.10 176.36 3at1 s ARG 128 N -0.51 0.85 0.00 2.72 1.70 -0.05 -4.86 118.95 118.80 3at1 s ARG 128 Ca 0.08 0.13 0.00 0.00 -0.47 0.00 0.00 55.73 55.47 3at1 s ARG 128 Cb -0.12 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.65 3at1 s ARG 128 CO 0.02 -0.24 0.00 1.17 -1.08 0.00 0.00 175.30 175.17 3at1 n LYS 129 N 1.27 0.00 -3.80 3.89 3.00 -1.26 -0.52 118.16 120.73 3at1 n LYS 129 Ca -0.19 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 57.99 3at1 n LYS 129 Cb 0.56 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.46 3at1 n LYS 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3at1 s ARG 130 N -3.95 0.12 -1.48 1.64 3.52 -1.21 -4.52 118.95 113.07 3at1 s ARG 130 Ca 0.00 0.24 -0.06 0.00 -0.13 0.00 0.00 55.73 55.78 3at1 s ARG 130 Cb 0.00 -0.02 0.05 0.00 -1.56 0.00 0.00 34.95 33.41 3at1 s ARG 130 CO 0.00 -0.07 0.62 0.00 -0.81 0.00 0.00 175.30 175.03 3at1 n ALA 131 N 3.45 -1.74 -2.50 6.12 0.00 -1.26 -4.83 120.51 119.75 3at1 n ALA 131 Ca -0.18 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3at1 n ALA 131 Cb 0.56 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3at1 n ALA 131 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3at1 n ASN 132 N -2.90 2.43 -4.78 0.00 0.23 -1.26 -5.11 115.26 103.87 3at1 n ASN 132 Ca -0.18 0.00 -0.34 0.00 -0.53 0.00 0.00 54.58 53.54 3at1 n ASN 132 Cb 0.62 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.35 3at1 n ASN 132 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 3at1 s ASP 133 N 2.00 5.41 -0.05 0.53 -4.77 -1.26 -5.04 116.67 113.50 3at1 s ASP 133 Ca 0.00 2.04 -0.00 0.00 -3.30 0.00 0.00 52.55 51.28 3at1 s ASP 133 Cb 0.00 -2.56 0.03 0.00 -1.09 0.00 0.00 42.92 39.30 3at1 s ASP 133 CO 0.00 -1.42 0.01 -0.63 0.70 0.00 0.00 175.17 173.82 3at1 s ILE 134 N -2.15 0.23 -0.24 2.11 1.01 -1.26 -3.35 121.20 117.55 3at1 s ILE 134 Ca 0.69 0.13 -0.10 0.00 0.00 0.00 0.00 60.65 61.37 3at1 s ILE 134 Cb -0.21 -0.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.85 3at1 s ILE 134 CO 0.36 0.20 0.14 0.00 0.00 0.00 0.00 174.94 175.63 3at1 s ALA 135 N 1.49 3.51 -0.26 9.38 0.00 0.32 -0.75 121.76 135.45 3at1 s ALA 135 Ca -0.03 -0.92 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 3at1 s ALA 135 Cb -0.13 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 3at1 s ALA 135 CO -0.03 -0.21 0.13 -0.51 0.00 0.00 0.00 175.76 175.15 3at1 s LEU 136 N 1.09 3.79 -0.11 0.00 1.43 -0.41 -0.87 118.68 123.60 3at1 s LEU 136 Ca 0.07 -0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.07 3at1 s LEU 136 Cb -0.14 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 3at1 s LEU 136 CO 0.04 -0.02 -0.00 -0.75 0.23 0.00 0.00 176.35 175.85 3at1 s LYS 137 N 1.57 3.20 0.19 1.70 2.20 -0.45 -1.18 119.74 126.97 3at1 s LYS 137 Ca 0.07 -0.43 -0.30 0.00 -0.36 0.00 0.00 55.97 54.94 3at1 s LYS 137 Cb -0.15 -2.84 -0.08 0.00 -1.51 0.00 0.00 37.83 33.25 3at1 s LYS 137 CO 0.07 0.57 0.96 0.00 -0.36 0.00 0.00 175.35 176.59 3at1 h LYS 139 N 4.71 0.34 0.00 0.00 3.11 -1.65 0.04 116.57 123.13 3at1 h LYS 139 Ca -0.44 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 3at1 h LYS 139 Cb 1.20 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.36 3at1 h LYS 139 CO 0.70 0.22 -0.42 0.66 -2.81 0.00 0.00 179.45 177.80 3at1 n TYR 140 N -5.04 0.64 0.95 1.91 4.01 -1.26 -4.33 117.16 114.03 3at1 n TYR 140 Ca 0.08 0.28 0.14 0.00 -0.16 0.00 0.00 57.90 58.24 3at1 n TYR 140 Cb 0.28 -0.62 0.59 0.00 -0.31 0.00 0.00 39.34 39.28 3at1 n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3at1 n GLU 142 N -1.57 -1.27 -2.61 0.00 1.02 0.00 -4.96 120.64 111.25 3at1 n GLU 142 Ca 0.07 0.32 -0.36 0.00 -0.02 0.00 0.00 57.16 57.17 3at1 n GLU 142 Cb 0.34 -4.47 -0.05 0.00 -0.02 0.00 0.00 31.44 27.25 3at1 n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3at1 s LYS 143 N -1.42 4.19 0.12 3.49 -0.14 -1.26 -4.56 119.74 120.16 3at1 s LYS 143 Ca 0.00 1.42 0.02 0.00 -1.36 0.00 0.00 55.97 56.05 3at1 s LYS 143 Cb 0.00 -2.48 -0.04 0.00 -1.68 0.00 0.00 37.83 33.64 3at1 s LYS 143 CO 0.00 -0.10 0.26 -2.00 -0.76 0.00 0.00 175.35 172.74 3at1 s GLU 144 N -2.61 3.43 0.06 1.68 2.12 -1.26 -0.82 118.70 121.29 3at1 s GLU 144 Ca 0.58 -0.56 -0.12 0.00 0.36 0.00 0.00 54.97 55.24 3at1 s GLU 144 Cb -0.19 -2.98 0.01 0.00 0.26 0.00 0.00 34.13 31.23 3at1 s GLU 144 CO 0.24 0.55 0.27 -0.06 -0.54 0.00 0.00 175.26 175.72 3at1 s PHE 145 N -1.67 -0.04 0.24 5.30 0.40 -0.33 -4.98 117.98 116.91 3at1 s PHE 145 Ca 0.35 -0.18 -0.26 0.00 -0.60 0.00 0.00 56.93 56.23 3at1 s PHE 145 Cb -0.12 0.06 -0.09 0.00 0.51 0.00 0.00 43.02 43.38 3at1 s PHE 145 CO 0.28 -0.51 0.87 0.45 0.70 0.00 0.00 175.22 177.01 3at1 s SER 146 N -2.27 7.42 0.57 1.36 0.15 -1.26 -1.29 113.70 118.37 3at1 s SER 146 Ca -0.03 1.77 0.28 0.00 0.70 0.00 0.00 55.95 58.68 3at1 s SER 146 Cb 0.00 -2.55 1.48 0.00 -1.71 0.00 0.00 66.02 63.25 3at1 s SER 146 CO -0.06 0.09 1.95 1.12 1.20 0.00 0.00 173.24 177.54 3at1 h HIS 147 N 3.82 0.00 0.09 3.44 2.07 -1.30 0.57 115.15 123.83 3at1 h HIS 147 Ca -0.46 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.07 3at1 h HIS 147 Cb 1.20 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.16 3at1 h HIS 147 CO 0.62 0.00 -0.17 -0.91 -3.07 0.00 0.00 177.93 174.41 3at1 h ASN 148 N 0.00 -0.46 0.18 3.10 4.21 -1.90 0.44 115.58 121.14 3at1 h ASN 148 Ca 0.24 0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.79 3at1 h ASN 148 Cb 1.12 0.18 0.00 0.00 -1.12 0.00 0.00 38.32 38.50 3at1 h ASN 148 CO -0.00 -0.24 -0.09 0.58 -1.29 0.00 0.00 177.43 176.39 3at1 h VAL 149 N -0.32 0.90 -0.99 2.81 2.07 -0.30 -1.91 116.25 118.49 3at1 h VAL 149 Ca 0.02 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.18 3at1 h VAL 149 Cb 0.34 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 3at1 h VAL 149 CO -0.09 0.09 0.65 0.58 0.02 0.00 0.00 177.57 178.81 3at1 h VAL 150 N -0.42 1.26 -1.43 2.57 2.07 -1.14 -3.03 116.25 116.13 3at1 h VAL 150 Ca -0.02 -0.49 -0.69 0.00 0.82 0.00 0.00 66.70 66.32 3at1 h VAL 150 Cb 0.33 -0.19 -0.18 0.00 -1.52 0.00 0.00 31.29 29.72 3at1 h VAL 150 CO 0.04 0.25 1.45 0.18 0.02 0.00 0.00 177.57 179.52 3at1 n LEU 151 N -4.37 7.44 0.00 2.57 4.77 0.15 -4.63 117.00 122.92 3at1 n LEU 151 Ca 0.12 -4.75 0.00 0.00 -0.03 0.00 0.00 56.01 51.34 3at1 n LEU 151 Cb 0.02 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 39.85 3at1 n LEU 151 CO 0.37 1.94 0.00 0.00 -1.33 0.00 0.00 177.39 178.37 3at1 n ALA 152 N 0.91 0.00 1.72 -1.18 0.00 -1.15 -4.89 120.51 115.92 3at1 n ALA 152 Ca 0.55 0.00 0.15 0.00 0.00 0.00 0.00 53.44 54.14 3at1 n ALA 152 Cb 0.33 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.49 3at1 n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79