#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q95 s THR 2 N 0.00 -0.28 0.46 2.03 2.01 -1.26 -4.89 115.64 113.72 1q95 s THR 2 Ca 0.00 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.60 1q95 s THR 2 Cb 0.00 -0.83 0.10 0.00 0.01 0.00 0.00 72.50 71.78 1q95 s THR 2 CO 0.00 -0.40 0.63 1.41 -0.69 0.00 0.00 174.62 175.57 1q95 n HIS 3 N 5.30 -3.39 -3.04 4.92 -0.00 -1.26 -4.38 115.22 113.37 1q95 n HIS 3 Ca -0.05 -0.91 -0.42 0.00 -0.00 0.00 0.00 57.72 56.35 1q95 n HIS 3 Cb 0.47 -0.47 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 1q95 n HIS 3 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1q95 s ASP 4 N -3.46 6.52 -0.55 0.41 1.01 -1.26 -4.86 116.67 114.48 1q95 s ASP 4 Ca 0.39 0.38 0.07 0.00 0.71 0.00 0.00 52.55 54.10 1q95 s ASP 4 Cb -0.02 -2.36 0.27 0.00 1.01 0.00 0.00 42.92 41.82 1q95 s ASP 4 CO 0.27 -0.60 0.73 0.59 0.21 0.00 0.00 175.17 176.36 1q95 n ASN 5 N 6.13 2.81 -0.05 0.27 3.02 -1.26 -4.80 115.26 121.38 1q95 n ASN 5 Ca 0.01 -3.28 -0.01 0.00 -0.03 0.00 0.00 54.58 51.28 1q95 n ASN 5 Cb 0.48 -0.64 -0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1q95 n ASN 5 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1q95 n LYS 6 N 0.75 -0.94 -3.91 3.52 5.02 -1.26 -4.95 118.16 116.40 1q95 n LYS 6 Ca 0.28 0.28 -0.30 0.00 -2.02 0.00 0.00 58.31 56.54 1q95 n LYS 6 Cb 0.45 -4.01 -0.14 0.00 -0.02 0.00 0.00 35.03 31.31 1q95 n LYS 6 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1q95 s LEU 7 N -0.15 3.92 0.00 -0.35 1.43 -1.26 -5.00 118.68 117.26 1q95 s LEU 7 Ca 0.00 -2.33 0.00 0.00 -1.03 0.00 0.00 54.13 50.77 1q95 s LEU 7 Cb 0.00 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.81 1q95 s LEU 7 CO 0.00 -0.34 0.19 0.00 0.23 0.00 0.00 176.35 176.43 1q95 n GLN 8 N 3.99 0.29 -3.21 1.70 6.02 -1.26 -4.13 117.38 120.78 1q95 n GLN 8 Ca 0.04 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.86 1q95 n GLN 8 Cb 0.39 -1.10 -0.06 0.00 1.02 0.00 0.00 30.24 30.48 1q95 n GLN 8 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1q95 s VAL 9 N -1.31 -0.26 -0.50 5.09 1.01 -1.26 -5.05 120.40 118.13 1q95 s VAL 9 Ca 0.00 -1.62 0.06 0.00 0.00 0.00 0.00 61.98 60.42 1q95 s VAL 9 Cb 0.00 -0.70 0.19 0.00 0.00 0.00 0.00 36.38 35.86 1q95 s VAL 9 CO 0.00 -0.67 0.65 -1.61 0.00 0.00 0.00 175.10 173.46 1q95 s GLU 10 N 0.75 1.04 -0.30 2.72 2.02 -1.26 -5.13 118.70 118.55 1q95 s GLU 10 Ca 0.27 -1.29 -0.16 0.00 0.02 0.00 0.00 54.97 53.80 1q95 s GLU 10 Cb -0.04 -0.34 0.17 0.00 0.10 0.00 0.00 34.13 34.02 1q95 s GLU 10 CO -0.10 -1.34 1.09 0.00 0.02 0.00 0.00 175.26 174.93 1q95 s ALA 11 N 0.70 -2.76 -0.27 5.21 0.00 -1.26 -4.41 121.76 118.97 1q95 s ALA 11 Ca 0.31 2.01 -0.35 0.00 0.00 0.00 0.00 51.96 53.92 1q95 s ALA 11 Cb 0.01 -2.04 0.16 0.00 0.00 0.00 0.00 23.12 21.25 1q95 s ALA 11 CO -0.08 -0.77 1.35 -1.50 0.00 0.00 0.00 175.76 174.76 1q95 s ILE 12 N 1.98 0.00 -0.27 0.00 2.07 -1.26 -5.11 121.20 118.61 1q95 s ILE 12 Ca -0.04 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.22 1q95 s ILE 12 Cb -0.04 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.62 1q95 s ILE 12 CO -0.16 0.00 -0.02 -0.75 -1.91 0.00 0.00 174.94 172.10 1q95 s LYS 13 N -1.80 1.56 0.10 3.50 2.20 -1.26 -3.81 119.74 120.23 1q95 s LYS 13 Ca 0.11 -1.21 0.00 0.00 -0.36 0.00 0.00 55.97 54.50 1q95 s LYS 13 Cb -0.01 -2.67 0.00 0.00 -1.51 0.00 0.00 37.83 33.64 1q95 s LYS 13 CO -0.04 -0.71 0.00 -2.13 -0.36 0.00 0.00 175.35 172.11 1q95 n ARG 14 N 4.58 -4.79 -3.83 4.03 0.63 -1.25 -4.48 116.66 111.55 1q95 n ARG 14 Ca -0.08 3.42 0.00 0.00 -0.92 0.00 0.00 57.85 60.27 1q95 n ARG 14 Cb 0.43 -4.04 0.00 0.00 0.45 0.00 0.00 32.46 29.30 1q95 n ARG 14 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1q95 n GLY 15 N 1.90 -0.69 3.55 5.14 0.00 -0.84 -0.02 105.19 114.23 1q95 n GLY 15 Ca 0.00 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 1q95 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q95 s THR 16 N -3.00 3.36 -0.22 2.61 2.01 -0.05 -0.14 115.64 120.21 1q95 s THR 16 Ca 0.00 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.08 1q95 s THR 16 Cb 0.00 -2.45 0.06 0.00 0.01 0.00 0.00 72.50 70.13 1q95 s THR 16 CO 0.00 0.37 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.61 1q95 s VAL 17 N -0.97 1.07 -0.41 3.82 1.01 -0.34 -1.02 120.40 123.55 1q95 s VAL 17 Ca 0.16 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 61.00 1q95 s VAL 17 Cb -0.11 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.82 1q95 s VAL 17 CO 0.07 -0.18 0.55 -0.63 0.00 0.00 0.00 175.10 174.91 1q95 s ILE 18 N 1.60 4.95 0.43 2.22 1.01 0.58 -1.62 121.20 130.37 1q95 s ILE 18 Ca -0.03 0.01 0.08 0.00 0.00 0.00 0.00 60.65 60.70 1q95 s ILE 18 Cb -0.18 -4.10 -0.01 0.00 0.01 0.00 0.00 42.46 38.18 1q95 s ILE 18 CO -0.08 -0.46 0.39 -0.62 0.00 0.00 0.00 174.94 174.17 1q95 s ASP 19 N 1.89 5.01 -1.53 3.58 3.68 0.13 -1.63 116.67 127.79 1q95 s ASP 19 Ca 0.18 -0.79 0.00 0.00 2.13 0.00 0.00 52.55 54.07 1q95 s ASP 19 Cb -0.15 -0.47 0.00 0.00 -1.45 0.00 0.00 42.92 40.85 1q95 s ASP 19 CO 0.16 -0.71 0.00 1.41 0.13 0.00 0.00 175.17 176.16 1q95 n HIS 20 N -1.58 -1.00 -2.35 -5.34 8.25 -1.25 -0.34 115.22 111.60 1q95 n HIS 20 Ca 0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 1q95 n HIS 20 Cb 0.62 -3.36 -0.03 0.00 1.12 0.00 0.00 29.99 28.34 1q95 n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1q95 s ILE 21 N -2.78 3.91 0.62 1.59 1.01 -1.03 -3.47 121.20 121.06 1q95 s ILE 21 Ca 0.00 1.34 -0.19 0.00 0.00 0.00 0.00 60.65 61.80 1q95 s ILE 21 Cb 0.00 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 1q95 s ILE 21 CO 0.00 0.06 1.32 -2.65 0.00 0.00 0.00 174.94 173.67 1q95 n PRO 22 N 4.48 1.28 -0.95 2.79 -0.02 -1.26 -0.19 135.00 141.13 1q95 n PRO 22 Ca 0.11 0.49 -0.34 0.00 -2.02 0.00 0.00 63.50 61.74 1q95 n PRO 22 Cb 0.45 -2.55 0.10 0.00 -0.02 0.00 0.00 33.50 31.48 1q95 n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q95 n ALA 23 N -1.68 -2.57 -0.75 3.55 0.00 -1.25 -1.32 120.51 116.49 1q95 n ALA 23 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1q95 n ALA 23 Cb 0.47 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1q95 n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1q95 n GLN 24 N -1.00 -1.58 -0.02 0.00 1.13 -1.26 -4.67 117.38 109.98 1q95 n GLN 24 Ca 0.07 0.33 0.01 0.00 -1.94 0.00 0.00 57.00 55.47 1q95 n GLN 24 Cb 0.53 -4.44 -0.07 0.00 0.11 0.00 0.00 30.24 26.36 1q95 n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1q95 n ILE 25 N -1.63 0.24 -0.22 5.09 2.08 -0.44 -4.58 119.36 119.89 1q95 n ILE 25 Ca 0.00 -0.29 0.05 0.00 0.56 0.00 0.00 62.75 63.07 1q95 n ILE 25 Cb 0.33 -0.12 0.30 0.00 -0.75 0.00 0.00 39.64 39.40 1q95 n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1q95 h GLY 26 N 1.80 1.08 2.00 7.39 0.00 -1.83 -1.67 103.07 111.84 1q95 h GLY 26 Ca -0.09 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.78 1q95 h GLY 26 CO 0.01 0.28 -0.49 -2.75 0.00 0.00 0.00 176.54 173.59 1q95 h PHE 27 N 0.88 0.00 0.37 5.60 3.57 -1.94 -2.93 116.94 122.50 1q95 h PHE 27 Ca 0.33 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 1q95 h PHE 27 Cb 0.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1q95 h PHE 27 CO -0.00 0.49 -0.18 0.87 -2.23 0.00 0.00 178.31 177.26 1q95 h LYS 28 N 0.00 -0.48 -0.99 1.11 1.57 -1.56 -2.75 116.57 113.47 1q95 h LYS 28 Ca -0.00 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 1q95 h LYS 28 Cb 1.07 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 33.40 1q95 h LYS 28 CO 0.06 -0.17 0.62 -0.07 -0.57 0.00 0.00 179.45 179.32 1q95 h LEU 29 N -0.83 0.91 -1.18 2.94 3.38 -1.53 0.20 115.31 119.20 1q95 h LEU 29 Ca -0.05 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1q95 h LEU 29 Cb 0.53 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1q95 h LEU 29 CO 0.08 0.49 0.57 0.25 0.09 0.00 0.00 178.44 179.93 1q95 h LEU 30 N 0.99 0.89 0.11 1.67 5.85 -1.51 -0.89 115.31 122.42 1q95 h LEU 30 Ca 0.48 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.20 1q95 h LEU 30 Cb 0.46 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1q95 h LEU 30 CO -0.26 0.58 -0.06 -1.28 -0.34 0.00 0.00 178.44 177.09 1q95 h SER 31 N 1.01 -0.13 -0.52 1.25 0.87 -0.42 -2.25 113.55 113.37 1q95 h SER 31 Ca 0.37 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 61.04 1q95 h SER 31 Cb 0.15 0.03 -0.09 0.00 -0.44 0.00 0.00 62.40 62.06 1q95 h SER 31 CO -0.13 0.14 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.19 1q95 h LEU 32 N -0.62 -0.33 0.00 2.23 3.38 -0.84 0.70 115.31 119.83 1q95 h LEU 32 Ca -0.02 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1q95 h LEU 32 Cb 0.12 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1q95 h LEU 32 CO 0.03 -0.12 0.00 0.49 0.09 0.00 0.00 178.44 178.92 1q95 n PHE 33 N -5.30 0.00 -2.95 1.13 0.99 -0.34 -4.86 117.46 106.13 1q95 n PHE 33 Ca 0.06 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.32 1q95 n PHE 33 Cb 0.28 -0.03 -0.00 0.00 -1.00 0.00 0.00 39.48 38.73 1q95 n PHE 33 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1q95 n LYS 34 N -1.03 -3.04 -0.02 -1.08 4.76 0.24 -4.81 118.16 113.17 1q95 n LYS 34 Ca 0.20 0.54 0.16 0.00 -2.87 0.00 0.00 58.31 56.34 1q95 n LYS 34 Cb 0.11 -5.21 0.60 0.00 -1.84 0.00 0.00 35.03 28.69 1q95 n LYS 34 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1q95 h LEU 35 N -0.60 0.16 0.00 -0.35 3.38 -1.64 -2.01 115.31 114.25 1q95 h LEU 35 Ca -0.37 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1q95 h LEU 35 Cb 1.26 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1q95 h LEU 35 CO 0.45 0.09 -0.13 0.35 0.09 0.00 0.00 178.44 179.29 1q95 n THR 36 N -4.44 0.38 -2.37 0.22 -2.24 -1.26 -4.45 114.28 100.12 1q95 n THR 36 Ca 0.09 -0.20 -0.37 0.00 -2.27 0.00 0.00 64.05 61.30 1q95 n THR 36 Cb 0.47 -0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 1q95 n THR 36 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1q95 s GLU 37 N -3.08 3.36 0.01 -0.78 2.02 -0.76 -4.77 118.70 114.71 1q95 s GLU 37 Ca 0.11 -1.59 -0.29 0.00 0.02 0.00 0.00 54.97 53.22 1q95 s GLU 37 Cb 0.14 -5.41 0.10 0.00 0.10 0.00 0.00 34.13 29.07 1q95 s GLU 37 CO 0.61 -2.94 1.05 -0.08 0.02 0.00 0.00 175.26 173.92 1q95 s THR 38 N 7.00 0.00 -2.40 3.63 -1.32 -1.26 -5.02 115.64 116.26 1q95 s THR 38 Ca 0.59 -0.25 0.19 0.00 -1.21 0.00 0.00 61.69 61.02 1q95 s THR 38 Cb 0.02 -1.51 0.17 0.00 -1.51 0.00 0.00 72.50 69.66 1q95 s THR 38 CO 0.09 0.00 1.13 0.47 -2.21 0.00 0.00 174.62 174.10 1q95 n ASP 39 N -0.34 2.66 -4.84 8.08 9.92 -1.26 -4.98 116.55 125.79 1q95 n ASP 39 Ca -0.06 -1.82 -0.32 0.00 -0.53 0.00 0.00 54.79 52.06 1q95 n ASP 39 Cb 0.61 -0.02 -0.02 0.00 -0.64 0.00 0.00 41.12 41.06 1q95 n ASP 39 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1q95 s GLN 40 N -1.60 3.79 0.05 -1.24 -1.52 -1.26 -5.02 119.66 112.86 1q95 s GLN 40 Ca 0.23 0.95 -0.30 0.00 -1.95 0.00 0.00 55.36 54.30 1q95 s GLN 40 Cb 0.16 -2.11 -0.05 0.00 -0.22 0.00 0.00 33.01 30.79 1q95 s GLN 40 CO 0.24 -0.41 1.13 0.50 -0.25 0.00 0.00 175.29 176.51 1q95 s ARG 41 N -4.27 4.48 -0.02 2.91 3.52 -1.26 -4.91 118.95 119.39 1q95 s ARG 41 Ca 0.59 1.67 0.05 0.00 -0.13 0.00 0.00 55.73 57.91 1q95 s ARG 41 Cb -0.11 -3.37 -0.01 0.00 -1.56 0.00 0.00 34.95 29.90 1q95 s ARG 41 CO 0.36 -0.17 -0.18 0.42 -0.81 0.00 0.00 175.30 174.92 1q95 s ILE 42 N 0.94 1.41 -0.07 4.11 1.01 -1.26 -1.89 121.20 125.45 1q95 s ILE 42 Ca 0.56 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 60.51 1q95 s ILE 42 Cb -0.27 -1.18 -0.00 0.00 0.01 0.00 0.00 42.46 41.02 1q95 s ILE 42 CO 0.29 0.40 -0.20 -0.89 0.00 0.00 0.00 174.94 174.54 1q95 s THR 43 N -0.31 1.73 -0.03 2.92 2.01 -0.10 -5.00 115.64 116.87 1q95 s THR 43 Ca 0.04 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.21 1q95 s THR 43 Cb -0.08 -1.50 0.00 0.00 0.01 0.00 0.00 72.50 70.94 1q95 s THR 43 CO -0.00 0.49 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.71 1q95 s ILE 44 N 0.19 0.72 -0.15 1.82 1.01 -1.26 -0.81 121.20 122.73 1q95 s ILE 44 Ca -0.10 -0.33 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 1q95 s ILE 44 Cb -0.15 -0.65 0.03 0.00 0.01 0.00 0.00 42.46 41.70 1q95 s ILE 44 CO 0.05 0.23 -0.09 -0.83 0.00 0.00 0.00 174.94 174.30 1q95 s GLY 45 N 0.22 1.00 0.01 6.18 0.00 0.49 -4.99 107.32 110.23 1q95 s GLY 45 Ca -0.03 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 43.90 1q95 s GLY 45 CO 0.00 0.74 0.02 1.08 0.00 0.00 0.00 173.10 174.94 1q95 s LEU 46 N 1.59 3.58 -1.28 0.66 1.43 -1.26 0.12 118.68 123.51 1q95 s LEU 46 Ca 0.03 0.00 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1q95 s LEU 46 Cb -0.14 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1q95 s LEU 46 CO -0.09 0.27 0.90 0.59 0.23 0.00 0.00 176.35 178.25 1q95 n ASN 47 N 1.28 -2.25 -4.78 2.29 5.03 -1.14 -4.97 115.26 110.71 1q95 n ASN 47 Ca -0.14 -0.70 -0.39 0.00 0.87 0.00 0.00 54.58 54.22 1q95 n ASN 47 Cb 0.53 -4.62 -0.06 0.00 -1.02 0.00 0.00 39.78 34.61 1q95 n ASN 47 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1q95 s LEU 48 N -6.63 4.52 0.08 3.41 1.43 0.18 -4.77 118.68 116.90 1q95 s LEU 48 Ca 0.10 1.42 -0.31 0.00 -1.03 0.00 0.00 54.13 54.31 1q95 s LEU 48 Cb -0.04 -3.10 -0.09 0.00 0.03 0.00 0.00 46.19 42.98 1q95 s LEU 48 CO 0.77 0.18 1.82 -2.84 0.23 0.00 0.00 176.35 176.51 1q95 s PRO 49 N -0.82 4.15 -0.30 1.29 0.02 -1.26 0.15 135.00 138.23 1q95 s PRO 49 Ca 0.33 2.53 0.03 0.00 0.02 0.00 0.00 61.00 63.91 1q95 s PRO 49 Cb -0.21 -3.76 0.08 0.00 0.02 0.00 0.00 34.50 30.63 1q95 s PRO 49 CO 0.22 -0.85 -0.03 0.45 -0.33 0.00 0.00 177.00 176.46 1q95 s SER 50 N 3.11 4.62 0.59 2.53 0.15 -0.00 -4.82 113.70 119.87 1q95 s SER 50 Ca 0.81 -1.70 0.34 0.00 0.70 0.00 0.00 55.95 56.09 1q95 s SER 50 Cb -0.43 -1.60 1.85 0.00 -1.71 0.00 0.00 66.02 64.13 1q95 s SER 50 CO 0.36 -0.28 2.21 1.23 1.20 0.00 0.00 173.24 177.97 1q95 h GLY 51 N 7.73 0.00 0.53 9.45 0.00 -1.93 0.84 103.07 119.69 1q95 h GLY 51 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1q95 h GLY 51 CO 0.49 0.00 -0.18 0.83 0.00 0.00 0.00 176.54 177.68 1q95 h GLU 52 N 0.00 -0.49 0.00 4.80 3.07 -2.00 -3.42 114.58 116.53 1q95 h GLU 52 Ca -0.00 0.03 -0.26 0.00 -0.50 0.00 0.00 59.36 58.64 1q95 h GLU 52 Cb 0.16 0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.14 1q95 h GLU 52 CO 0.00 -0.20 -1.79 -1.33 -1.40 0.00 0.00 179.01 174.30 1q95 n MET 53 N -5.14 0.37 0.00 2.33 2.81 -1.03 -5.07 117.12 111.39 1q95 n MET 53 Ca -0.09 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 1q95 n MET 53 Cb 0.27 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 1q95 n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1q95 n GLY 54 N 1.92 1.72 2.78 3.03 0.00 0.29 -4.98 105.19 109.96 1q95 n GLY 54 Ca -0.31 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 1q95 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q95 s ARG 55 N 0.00 -0.01 0.16 1.61 1.81 -1.26 -0.82 118.95 120.45 1q95 s ARG 55 Ca 0.00 0.50 0.06 0.00 -1.72 0.00 0.00 55.73 54.57 1q95 s ARG 55 Cb 0.00 -0.35 -0.04 0.00 -0.45 0.00 0.00 34.95 34.10 1q95 s ARG 55 CO 0.00 -0.31 -0.12 -1.59 -0.68 0.00 0.00 175.30 172.59 1q95 s LYS 56 N 2.24 1.15 0.07 3.54 -2.85 0.12 -3.88 119.74 120.13 1q95 s LYS 56 Ca 0.04 -1.47 0.01 0.00 -1.00 0.00 0.00 55.97 53.55 1q95 s LYS 56 Cb -0.12 -0.83 -0.04 0.00 -2.06 0.00 0.00 37.83 34.78 1q95 s LYS 56 CO -0.05 0.13 0.16 -0.51 0.10 0.00 0.00 175.35 175.18 1q95 s ASP 57 N -3.13 6.04 -0.02 0.03 -0.00 0.73 0.47 116.67 120.80 1q95 s ASP 57 Ca 0.18 0.16 -0.01 0.00 -0.00 0.00 0.00 52.55 52.87 1q95 s ASP 57 Cb 0.00 -1.78 0.01 0.00 -0.00 0.00 0.00 42.92 41.15 1q95 s ASP 57 CO 0.03 0.17 0.04 -0.22 -0.00 0.00 0.00 175.17 175.19 1q95 s LEU 58 N -2.47 1.78 0.01 1.23 2.96 0.12 -2.47 118.68 119.84 1q95 s LEU 58 Ca 0.33 0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 1q95 s LEU 58 Cb -0.13 0.13 -0.01 0.00 0.50 0.00 0.00 46.19 46.69 1q95 s LEU 58 CO 0.26 -0.02 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.53 1q95 s ILE 59 N 0.10 0.78 -0.06 6.68 1.01 -0.65 -0.38 121.20 128.69 1q95 s ILE 59 Ca -0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 1q95 s ILE 59 Cb -0.01 -0.68 0.03 0.00 0.01 0.00 0.00 42.46 41.81 1q95 s ILE 59 CO -0.00 0.12 0.02 -0.54 0.00 0.00 0.00 174.94 174.53 1q95 s LYS 60 N -0.50 0.39 -0.13 2.79 1.02 0.01 -0.31 119.74 123.02 1q95 s LYS 60 Ca 0.02 0.19 0.02 0.00 0.02 0.00 0.00 55.97 56.21 1q95 s LYS 60 Cb -0.05 -0.81 0.02 0.00 -0.52 0.00 0.00 37.83 36.47 1q95 s LYS 60 CO 0.00 -0.30 -0.16 0.42 -0.92 0.00 0.00 175.35 174.38 1q95 s ILE 61 N 1.98 1.64 0.32 2.17 1.01 -0.19 -0.92 121.20 127.21 1q95 s ILE 61 Ca 0.04 -0.72 -0.27 0.00 0.00 0.00 0.00 60.65 59.71 1q95 s ILE 61 Cb -0.12 -1.50 -0.09 0.00 0.01 0.00 0.00 42.46 40.76 1q95 s ILE 61 CO -0.04 0.47 1.02 -1.61 0.00 0.00 0.00 174.94 174.78 1q95 s GLU 62 N 1.08 4.51 -1.16 2.79 2.02 -0.79 -0.87 118.70 126.28 1q95 s GLU 62 Ca -0.04 1.55 -0.02 0.00 0.02 0.00 0.00 54.97 56.49 1q95 s GLU 62 Cb -0.14 -2.90 0.02 0.00 0.10 0.00 0.00 34.13 31.20 1q95 s GLU 62 CO -0.04 0.16 0.14 0.09 0.02 0.00 0.00 175.26 175.63 1q95 n ASN 63 N 0.68 -4.09 -3.71 -0.19 5.03 0.97 -4.69 115.26 109.26 1q95 n ASN 63 Ca 0.01 0.03 -0.19 0.00 0.87 0.00 0.00 54.58 55.31 1q95 n ASN 63 Cb 0.48 -3.44 -0.17 0.00 -1.02 0.00 0.00 39.78 35.63 1q95 n ASN 63 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1q95 s THR 64 N -2.73 -0.04 -0.09 3.41 2.01 -1.25 -4.98 115.64 111.96 1q95 s THR 64 Ca 0.10 0.33 0.03 0.00 0.31 0.00 0.00 61.69 62.46 1q95 s THR 64 Cb -0.05 -0.18 -0.01 0.00 0.01 0.00 0.00 72.50 72.27 1q95 s THR 64 CO 0.13 0.16 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.69 1q95 s PHE 65 N 1.84 2.68 -1.14 4.92 0.40 -1.26 -1.66 117.98 123.75 1q95 s PHE 65 Ca 0.01 -0.60 -0.09 0.00 -0.60 0.00 0.00 56.93 55.65 1q95 s PHE 65 Cb -0.12 -1.73 0.26 0.00 0.51 0.00 0.00 43.02 41.94 1q95 s PHE 65 CO -0.03 -0.15 1.26 1.28 0.70 0.00 0.00 175.22 178.28 1q95 n LEU 66 N 3.13 5.63 -0.05 -0.37 4.77 -1.26 -4.60 117.00 124.25 1q95 n LEU 66 Ca -0.18 -4.93 -0.07 0.00 -0.03 0.00 0.00 56.01 50.81 1q95 n LEU 66 Cb 0.52 -1.48 -0.07 0.00 -2.33 0.00 0.00 43.42 40.07 1q95 n LEU 66 CO 0.28 1.27 -0.86 -1.54 -1.33 0.00 0.00 177.39 175.21 1q95 n SER 67 N 3.14 2.80 -0.81 -1.43 3.41 -1.26 -4.24 113.62 115.23 1q95 n SER 67 Ca 0.27 -0.03 0.09 0.00 -0.26 0.00 0.00 58.87 58.94 1q95 n SER 67 Cb 0.39 0.31 0.14 0.00 -0.26 0.00 0.00 64.21 64.79 1q95 n SER 67 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1q95 n GLU 68 N -2.59 1.98 -0.98 4.33 1.02 -1.26 -3.89 120.64 119.25 1q95 n GLU 68 Ca -0.19 -1.87 -0.09 0.00 -0.02 0.00 0.00 57.16 55.00 1q95 n GLU 68 Cb 0.78 -1.36 0.26 0.00 -0.02 0.00 0.00 31.44 31.09 1q95 n GLU 68 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1q95 n ASP 69 N 1.01 4.44 -2.95 1.62 -0.08 -1.26 -4.97 116.55 114.36 1q95 n ASP 69 Ca 0.13 -3.18 -0.12 0.00 -1.51 0.00 0.00 54.79 50.11 1q95 n ASP 69 Cb 0.47 -0.75 0.01 0.00 2.34 0.00 0.00 41.12 43.19 1q95 n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1q95 n GLN 70 N -0.28 -2.37 0.21 -0.67 1.13 -1.25 -4.86 117.38 109.29 1q95 n GLN 70 Ca 0.41 2.05 0.06 0.00 -1.94 0.00 0.00 57.00 57.58 1q95 n GLN 70 Cb 1.36 -5.05 0.48 0.00 0.11 0.00 0.00 30.24 27.14 1q95 n GLN 70 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1q95 h VAL 71 N 2.11 1.06 -0.53 5.09 2.07 -1.76 -2.54 116.25 121.75 1q95 h VAL 71 Ca -0.09 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 66.54 1q95 h VAL 71 Cb 0.99 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 32.22 1q95 h VAL 71 CO 0.19 0.26 -0.35 0.44 0.02 0.00 0.00 177.57 178.13 1q95 h ASP 72 N 0.00 -1.28 -0.40 0.57 3.45 -1.89 -0.22 116.42 116.66 1q95 h ASP 72 Ca -0.00 0.19 0.05 0.00 0.43 0.00 0.00 57.03 57.70 1q95 h ASP 72 Cb 0.50 0.56 -0.05 0.00 -0.56 0.00 0.00 39.33 39.78 1q95 h ASP 72 CO 0.03 -0.16 0.11 1.56 -1.57 0.00 0.00 179.24 179.21 1q95 h GLN 73 N -0.05 0.25 -0.88 3.56 4.20 -1.80 -1.60 115.11 118.79 1q95 h GLN 73 Ca 0.09 -0.01 0.25 0.00 0.06 0.00 0.00 58.65 59.03 1q95 h GLN 73 Cb 0.27 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 1q95 h GLN 73 CO -0.52 0.16 0.71 1.25 -0.67 0.00 0.00 178.83 179.76 1q95 h LEU 74 N 0.26 0.00 -2.67 1.46 5.85 -0.81 0.29 115.31 119.70 1q95 h LEU 74 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1q95 h LEU 74 Cb 0.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1q95 h LEU 74 CO -0.22 0.00 0.01 0.00 -0.34 0.00 0.00 178.44 177.89 1q95 h ALA 75 N 1.40 1.33 0.00 1.25 0.00 -0.14 -0.89 119.26 122.20 1q95 h ALA 75 Ca 0.42 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 1q95 h ALA 75 Cb 1.84 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 1q95 h ALA 75 CO -0.00 -0.01 -0.16 -0.07 0.00 0.00 0.00 179.25 179.00 1q95 h LEU 76 N 0.00 0.00 -0.21 0.00 3.38 -0.56 -3.28 115.31 114.64 1q95 h LEU 76 Ca 0.00 -0.43 -0.20 0.00 0.09 0.00 0.00 57.88 57.34 1q95 h LEU 76 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1q95 h LEU 76 CO -0.00 0.81 -0.92 1.88 0.09 0.00 0.00 178.44 180.30 1q95 h TYR 77 N -1.00 0.19 -2.07 1.13 -1.99 -1.62 -3.39 116.97 108.22 1q95 h TYR 77 Ca -0.03 -0.11 -0.57 0.00 2.00 0.00 0.00 58.73 60.01 1q95 h TYR 77 Cb 0.55 -0.02 -0.40 0.00 2.00 0.00 0.00 36.73 38.87 1q95 h TYR 77 CO 0.10 0.97 -0.96 0.00 -0.00 0.00 0.00 178.16 178.26 1q95 n ALA 78 N -2.43 2.89 -0.33 3.88 0.00 -0.35 -4.84 120.51 119.32 1q95 n ALA 78 Ca -0.03 -3.77 0.08 0.00 0.00 0.00 0.00 53.44 49.72 1q95 n ALA 78 Cb 0.85 -0.83 0.27 0.00 0.00 0.00 0.00 19.45 19.74 1q95 n ALA 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1q95 h PRO 79 N 4.10 0.90 0.00 0.00 0.11 -1.70 -1.56 132.00 133.85 1q95 h PRO 79 Ca 0.11 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1q95 h PRO 79 Cb 0.82 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1q95 h PRO 79 CO 0.56 0.60 -0.22 1.04 -0.21 0.00 0.00 178.00 179.77 1q95 n GLN 80 N -4.58 0.11 -1.66 1.05 6.02 -1.26 -4.65 117.38 112.40 1q95 n GLN 80 Ca 0.18 0.06 -0.37 0.00 -0.01 0.00 0.00 57.00 56.85 1q95 n GLN 80 Cb 0.35 -1.60 0.06 0.00 1.02 0.00 0.00 30.24 30.08 1q95 n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1q95 n ALA 81 N -1.62 0.58 -2.92 -1.58 0.00 -0.59 -4.82 120.51 109.57 1q95 n ALA 81 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.19 1q95 n ALA 81 Cb 0.38 -2.20 -0.17 0.00 0.00 0.00 0.00 19.45 17.46 1q95 n ALA 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1q95 s THR 82 N -1.46 1.94 -0.22 0.00 2.01 0.54 -4.21 115.64 114.23 1q95 s THR 82 Ca 0.79 -0.99 -0.04 0.00 0.31 0.00 0.00 61.69 61.76 1q95 s THR 82 Cb -0.40 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 1q95 s THR 82 CO 0.44 0.54 -0.04 -0.69 -0.69 0.00 0.00 174.62 174.18 1q95 s VAL 83 N 0.03 3.42 -0.11 3.82 1.01 -0.19 0.17 120.40 128.55 1q95 s VAL 83 Ca -0.08 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1q95 s VAL 83 Cb -0.15 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 1q95 s VAL 83 CO 0.05 0.42 -0.14 0.20 0.00 0.00 0.00 175.10 175.63 1q95 s ASN 84 N 1.46 3.93 -0.12 3.32 0.02 -0.64 -0.86 114.94 122.05 1q95 s ASN 84 Ca 0.06 -0.33 -0.17 0.00 -1.02 0.00 0.00 52.86 51.40 1q95 s ASN 84 Cb -0.14 -1.46 -0.04 0.00 0.02 0.00 0.00 41.25 39.62 1q95 s ASN 84 CO -0.03 0.20 0.43 -0.13 0.02 0.00 0.00 177.10 177.59 1q95 s ARG 85 N 0.16 4.30 0.15 -0.60 0.52 0.17 -1.20 118.95 122.45 1q95 s ARG 85 Ca -0.08 0.37 0.06 0.00 -0.52 0.00 0.00 55.73 55.56 1q95 s ARG 85 Cb -0.15 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 1q95 s ARG 85 CO 0.05 0.21 0.03 0.42 0.02 0.00 0.00 175.30 176.03 1q95 s ILE 86 N 0.48 3.98 -0.28 1.52 -1.09 0.80 -2.23 121.20 124.39 1q95 s ILE 86 Ca 0.24 -1.21 -0.21 0.00 -2.23 0.00 0.00 60.65 57.24 1q95 s ILE 86 Cb -0.15 -2.98 0.11 0.00 -1.58 0.00 0.00 42.46 37.86 1q95 s ILE 86 CO 0.09 -0.04 0.88 -0.62 -1.23 0.00 0.00 174.94 174.02 1q95 s ASP 87 N -2.78 -0.63 -1.46 3.58 -1.08 -0.61 -1.98 116.67 111.70 1q95 s ASP 87 Ca 0.28 1.12 -0.09 0.00 -0.52 0.00 0.00 52.55 53.33 1q95 s ASP 87 Cb -0.10 1.19 0.04 0.00 -1.46 0.00 0.00 42.92 42.59 1q95 s ASP 87 CO 0.20 -0.18 0.83 -3.20 0.52 0.00 0.00 175.17 173.33 1q95 n ASN 88 N 3.12 -5.39 -0.20 -0.34 4.05 -1.26 -0.48 115.26 114.76 1q95 n ASN 88 Ca -0.16 -0.51 -0.03 0.00 0.45 0.00 0.00 54.58 54.34 1q95 n ASN 88 Cb 0.57 -4.32 -0.01 0.00 1.23 0.00 0.00 39.78 37.24 1q95 n ASN 88 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1q95 n TYR 89 N -4.58 0.00 -4.45 1.20 4.01 -1.25 -4.46 117.16 107.64 1q95 n TYR 89 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 1q95 n TYR 89 Cb 0.56 -1.68 -0.14 0.00 -0.31 0.00 0.00 39.34 37.77 1q95 n TYR 89 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1q95 s GLU 90 N -1.79 1.02 -0.94 -0.72 2.56 0.36 -4.02 118.70 115.19 1q95 s GLU 90 Ca 0.00 -0.72 -0.24 0.00 0.00 0.00 0.00 54.97 54.01 1q95 s GLU 90 Cb 0.00 -1.03 -0.06 0.00 2.00 0.00 0.00 34.13 35.03 1q95 s GLU 90 CO 0.00 0.26 1.98 0.08 -0.56 0.00 0.00 175.26 177.02 1q95 s VAL 91 N -0.73 3.43 -0.06 3.70 1.01 -1.26 -1.58 120.40 124.92 1q95 s VAL 91 Ca 0.03 -0.43 0.14 0.00 0.00 0.00 0.00 61.98 61.73 1q95 s VAL 91 Cb -0.07 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.31 1q95 s VAL 91 CO 0.01 -0.88 1.47 -0.37 0.00 0.00 0.00 175.10 175.32 1q95 h VAL 92 N 7.12 1.00 -3.86 2.92 -1.51 -1.74 -3.46 116.25 116.73 1q95 h VAL 92 Ca 0.11 -2.29 -0.31 0.00 -1.23 0.00 0.00 66.70 62.98 1q95 h VAL 92 Cb 0.99 2.41 -0.28 0.00 -2.13 0.00 0.00 31.29 32.28 1q95 h VAL 92 CO 1.20 0.55 -0.75 -0.83 -1.23 0.00 0.00 177.57 176.51 1q95 s GLY 93 N -4.48 0.21 -0.00 5.19 0.00 -0.95 -4.98 107.32 102.30 1q95 s GLY 93 Ca 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 44.72 44.57 1q95 s GLY 93 CO 0.75 -0.13 0.02 1.25 0.00 0.00 0.00 173.10 174.99 1q95 s LYS 94 N -0.07 0.09 0.08 2.90 2.20 -1.26 0.45 119.74 124.14 1q95 s LYS 94 Ca 0.01 -0.09 -0.26 0.00 -0.36 0.00 0.00 55.97 55.28 1q95 s LYS 94 Cb -0.02 0.04 0.09 0.00 -1.51 0.00 0.00 37.83 36.42 1q95 s LYS 94 CO -0.00 -0.02 0.74 -1.54 -0.36 0.00 0.00 175.35 174.17 1q95 s SER 95 N -0.28 -0.47 -0.15 1.43 1.04 -0.04 -4.99 113.70 110.24 1q95 s SER 95 Ca -0.03 0.00 -0.06 0.00 0.48 0.00 0.00 55.95 56.34 1q95 s SER 95 Cb -0.02 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1q95 s SER 95 CO -0.00 -0.81 0.07 -0.13 0.98 0.00 0.00 173.24 173.35 1q95 s ARG 96 N -3.45 3.64 0.21 4.02 1.81 -1.26 -1.02 118.95 122.89 1q95 s ARG 96 Ca 0.03 -0.30 -0.30 0.00 -1.72 0.00 0.00 55.73 53.44 1q95 s ARG 96 Cb -0.01 -3.12 -0.09 0.00 -0.45 0.00 0.00 34.95 31.27 1q95 s ARG 96 CO -0.11 0.50 1.36 -2.14 -0.68 0.00 0.00 175.30 174.23 1q95 s PRO 97 N -0.26 4.34 -0.11 3.54 0.02 -1.26 -5.00 135.00 136.27 1q95 s PRO 97 Ca 0.08 2.14 -0.01 0.00 0.02 0.00 0.00 61.00 63.23 1q95 s PRO 97 Cb -0.12 -3.17 -0.03 0.00 0.02 0.00 0.00 34.50 31.20 1q95 s PRO 97 CO 0.01 -0.33 -0.06 0.45 -0.33 0.00 0.00 177.00 176.75 1q95 s SER 98 N 0.43 4.68 0.01 2.53 0.15 -1.26 -4.83 113.70 115.41 1q95 s SER 98 Ca 0.58 -0.09 -0.35 0.00 0.70 0.00 0.00 55.95 56.79 1q95 s SER 98 Cb -0.38 -1.51 -0.14 0.00 -1.71 0.00 0.00 66.02 62.28 1q95 s SER 98 CO 0.39 0.26 1.68 0.18 1.20 0.00 0.00 173.24 176.94 1q95 n LEU 99 N 2.94 2.95 -4.80 3.45 4.77 -1.26 -4.72 117.00 120.34 1q95 n LEU 99 Ca -0.18 1.05 -0.30 0.00 -0.03 0.00 0.00 56.01 56.55 1q95 n LEU 99 Cb 0.53 -1.34 0.10 0.00 -2.33 0.00 0.00 43.42 40.37 1q95 n LEU 99 CO 0.30 -0.32 0.71 -2.84 -1.33 0.00 0.00 177.39 173.91 1q95 s PRO 100 N 2.32 1.94 0.24 3.23 0.02 -1.26 -4.97 135.00 136.51 1q95 s PRO 100 Ca 0.87 0.61 0.17 0.00 0.02 0.00 0.00 61.00 62.67 1q95 s PRO 100 Cb -0.76 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 31.89 1q95 s PRO 100 CO 0.47 -1.72 1.28 0.93 -0.33 0.00 0.00 177.00 177.63 1q95 h GLU 101 N -1.16 0.00 -3.64 5.54 3.07 -1.94 -3.38 114.58 113.08 1q95 h GLU 101 Ca -0.48 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.32 1q95 h GLU 101 Cb 1.28 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 29.10 1q95 h GLU 101 CO 0.59 0.36 -0.10 -0.98 -1.40 0.00 0.00 179.01 177.49 1q95 s ARG 102 N -3.01 1.60 -0.11 2.33 1.70 -1.26 -0.13 118.95 120.07 1q95 s ARG 102 Ca 0.02 -1.28 -0.05 0.00 -0.47 0.00 0.00 55.73 53.95 1q95 s ARG 102 Cb 0.08 0.48 0.05 0.00 -0.57 0.00 0.00 34.95 34.99 1q95 s ARG 102 CO 0.76 -0.67 0.24 0.42 -1.08 0.00 0.00 175.30 174.97 1q95 s ILE 103 N -3.90 -0.22 0.08 4.99 -1.09 -0.24 -4.81 121.20 116.01 1q95 s ILE 103 Ca 0.22 0.22 0.09 0.00 -2.23 0.00 0.00 60.65 58.96 1q95 s ILE 103 Cb -0.01 -0.39 -0.03 0.00 -1.58 0.00 0.00 42.46 40.44 1q95 s ILE 103 CO 0.10 0.09 -0.24 -1.81 -1.23 0.00 0.00 174.94 171.85 1q95 s ASP 104 N 1.84 2.93 0.00 3.58 -0.00 -1.26 -0.95 116.67 122.80 1q95 s ASP 104 Ca -0.04 -0.64 0.00 0.00 -0.00 0.00 0.00 52.55 51.87 1q95 s ASP 104 Cb -0.11 -0.22 0.00 0.00 -0.00 0.00 0.00 42.92 42.59 1q95 s ASP 104 CO -0.08 0.17 0.00 0.59 -0.00 0.00 0.00 175.17 175.85 1q95 n ASN 105 N 1.40 0.00 -0.21 0.27 3.02 -0.79 -4.70 115.26 114.25 1q95 n ASN 105 Ca -0.18 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.33 1q95 n ASN 105 Cb 0.53 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.71 1q95 n ASN 105 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1q95 h VAL 106 N 0.00 0.18 -4.53 2.41 2.07 -1.90 -3.41 116.25 111.08 1q95 h VAL 106 Ca 0.00 0.00 -0.47 0.00 0.82 0.00 0.00 66.70 67.05 1q95 h VAL 106 Cb 0.00 0.18 0.11 0.00 -1.52 0.00 0.00 31.29 30.06 1q95 h VAL 106 CO 0.00 0.00 0.39 -0.76 0.02 0.00 0.00 177.57 177.22 1q95 s LEU 107 N -10.74 2.43 -0.06 2.57 1.43 -1.26 -5.09 118.68 107.96 1q95 s LEU 107 Ca -0.14 0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 53.72 1q95 s LEU 107 Cb 0.16 -3.22 0.03 0.00 0.03 0.00 0.00 46.19 43.20 1q95 s LEU 107 CO 0.70 -2.06 0.00 -0.69 0.23 0.00 0.00 176.35 174.53 1q95 s VAL 108 N -3.55 0.31 -0.00 -1.59 1.01 -1.26 -4.66 120.40 110.65 1q95 s VAL 108 Ca 0.63 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.44 1q95 s VAL 108 Cb -0.11 -0.45 -0.07 0.00 0.00 0.00 0.00 36.38 35.74 1q95 s VAL 108 CO 0.50 0.23 1.81 0.00 0.00 0.00 0.00 175.10 177.64 1q95 h PRO 110 N 10.02 0.80 -6.04 0.00 0.11 -1.94 -3.42 132.00 131.54 1q95 h PRO 110 Ca -0.45 -0.05 -0.67 0.00 0.11 0.00 0.00 66.00 64.95 1q95 h PRO 110 Cb 1.21 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1q95 h PRO 110 CO 0.95 0.53 1.34 -1.71 -0.21 0.00 0.00 178.00 178.89 1q95 n ASN 111 N -4.55 2.38 0.13 -2.05 2.85 -1.26 -4.82 115.26 107.94 1q95 n ASN 111 Ca 0.16 0.53 0.12 0.00 -0.11 0.00 0.00 54.58 55.28 1q95 n ASN 111 Cb 0.36 -1.28 0.48 0.00 1.24 0.00 0.00 39.78 40.58 1q95 n ASN 111 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1q95 h SER 112 N 11.70 0.00 -0.20 1.20 4.64 -2.03 -2.89 113.55 125.96 1q95 h SER 112 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1q95 h SER 112 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1q95 h SER 112 CO 1.00 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 173.76 1q95 n ASN 113 N -2.30 2.94 -4.77 4.97 4.05 -1.26 -4.99 115.26 113.89 1q95 n ASN 113 Ca 0.03 -1.87 -0.40 0.00 0.45 0.00 0.00 54.58 52.78 1q95 n ASN 113 Cb 0.28 -0.12 0.01 0.00 1.23 0.00 0.00 39.78 41.18 1q95 n ASN 113 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1q95 h ILE 115 N 2.48 0.00 -0.36 0.00 6.09 -1.94 -3.19 117.51 120.60 1q95 h ILE 115 Ca -0.51 -0.32 0.10 0.00 -1.37 0.00 0.00 64.86 62.77 1q95 h ILE 115 Cb 1.26 1.31 -0.01 0.00 0.47 0.00 0.00 36.82 39.84 1q95 h ILE 115 CO 0.62 0.00 0.28 0.77 -3.07 0.00 0.00 178.15 176.75 1q95 h SER 116 N 0.00 0.00 0.64 2.19 4.64 -1.93 -3.27 113.55 115.82 1q95 h SER 116 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1q95 h SER 116 Cb 0.32 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1q95 h SER 116 CO 0.00 0.00 -0.31 0.45 -0.87 0.00 0.00 176.83 176.10 1q95 h HIS 117 N 0.00 -0.80 0.00 4.77 3.86 -1.93 -3.30 115.15 117.75 1q95 h HIS 117 Ca 0.17 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1q95 h HIS 117 Cb 0.72 0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.46 1q95 h HIS 117 CO 0.00 -0.50 0.00 0.00 0.86 0.00 0.00 177.93 178.29 1q95 n ALA 118 N -2.61 2.50 -2.66 2.45 0.00 -1.24 -4.89 120.51 114.05 1q95 n ALA 118 Ca -0.11 -0.17 -0.23 0.00 0.00 0.00 0.00 53.44 52.93 1q95 n ALA 118 Cb 0.34 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 18.28 1q95 n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1q95 s GLU 119 N -2.05 2.35 0.00 0.00 0.41 -1.23 -5.03 118.70 113.16 1q95 s GLU 119 Ca 0.40 -1.36 -0.02 0.00 -0.41 0.00 0.00 54.97 53.58 1q95 s GLU 119 Cb 0.19 -2.21 -0.10 0.00 -1.78 0.00 0.00 34.13 30.22 1q95 s GLU 119 CO 0.32 0.38 1.88 -2.30 -0.49 0.00 0.00 175.26 175.05 1q95 n PRO 120 N -0.84 0.93 -4.22 0.39 -0.02 -1.26 -4.86 135.00 125.11 1q95 n PRO 120 Ca -0.07 -0.39 -0.19 0.00 -2.02 0.00 0.00 63.50 60.83 1q95 n PRO 120 Cb 0.58 -1.62 -0.12 0.00 -0.02 0.00 0.00 33.50 32.33 1q95 n PRO 120 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1q95 s VAL 121 N 1.65 1.31 0.26 -1.45 -7.23 -1.26 -5.14 120.40 108.53 1q95 s VAL 121 Ca 0.26 -1.51 -0.21 0.00 -1.81 0.00 0.00 61.98 58.71 1q95 s VAL 121 Cb 0.12 -1.34 -0.09 0.00 0.56 0.00 0.00 36.38 35.64 1q95 s VAL 121 CO 0.00 -0.27 0.79 -0.44 -0.31 0.00 0.00 175.10 174.87 1q95 s SER 122 N -2.04 7.13 1.09 4.85 0.01 -1.26 -4.99 113.70 118.48 1q95 s SER 122 Ca 0.04 1.54 -0.13 0.00 1.31 0.00 0.00 55.95 58.70 1q95 s SER 122 Cb -0.08 -2.46 0.24 0.00 0.21 0.00 0.00 66.02 63.92 1q95 s SER 122 CO 0.03 -0.01 1.06 -0.94 0.41 0.00 0.00 173.24 173.79 1q95 s SER 123 N -1.67 1.79 -0.29 2.44 1.04 -1.26 -4.77 113.70 110.97 1q95 s SER 123 Ca 0.46 1.26 -0.16 0.00 0.48 0.00 0.00 55.95 57.98 1q95 s SER 123 Cb -0.17 -1.97 0.17 0.00 0.10 0.00 0.00 66.02 64.15 1q95 s SER 123 CO 0.21 -3.66 1.11 -0.55 0.98 0.00 0.00 173.24 171.33 1q95 s SER 124 N -3.10 -0.30 -0.01 7.02 0.15 -1.25 -1.88 113.70 114.33 1q95 s SER 124 Ca 0.67 0.49 0.01 0.00 0.70 0.00 0.00 55.95 57.82 1q95 s SER 124 Cb -0.21 1.09 -0.00 0.00 -1.71 0.00 0.00 66.02 65.19 1q95 s SER 124 CO 0.60 -0.08 -0.04 -0.36 1.20 0.00 0.00 173.24 174.56 1q95 s PHE 125 N 1.15 0.43 -0.16 3.44 0.08 -0.13 -1.22 117.98 121.59 1q95 s PHE 125 Ca -0.08 -0.08 -0.22 0.00 0.12 0.00 0.00 56.93 56.67 1q95 s PHE 125 Cb -0.03 -0.30 -0.03 0.00 -0.57 0.00 0.00 43.02 42.09 1q95 s PHE 125 CO -0.12 -0.02 0.68 0.00 -0.10 0.00 0.00 175.22 175.65 1q95 s ALA 126 N 0.02 3.48 0.07 5.36 0.00 -0.36 -1.08 121.76 129.24 1q95 s ALA 126 Ca 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 51.96 51.64 1q95 s ALA 126 Cb -0.03 -3.00 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 1q95 s ALA 126 CO -0.00 -0.43 0.66 0.08 0.00 0.00 0.00 175.76 176.06 1q95 s VAL 127 N 1.61 4.70 -0.14 0.00 1.01 0.82 -2.30 120.40 126.09 1q95 s VAL 127 Ca 0.33 1.41 -0.08 0.00 0.00 0.00 0.00 61.98 63.63 1q95 s VAL 127 Cb -0.16 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.27 1q95 s VAL 127 CO 0.13 0.48 0.34 -0.60 0.00 0.00 0.00 175.10 175.45 1q95 s ARG 128 N -0.68 0.33 -0.06 2.72 3.52 -0.99 -4.69 118.95 119.11 1q95 s ARG 128 Ca 0.33 0.65 -0.22 0.00 -0.13 0.00 0.00 55.73 56.36 1q95 s ARG 128 Cb -0.20 -0.02 -0.04 0.00 -1.56 0.00 0.00 34.95 33.13 1q95 s ARG 128 CO 0.21 -0.14 0.63 0.21 -0.81 0.00 0.00 175.30 175.40 1q95 s LYS 129 N 1.15 4.39 0.00 5.12 2.20 -1.26 -1.45 119.74 129.90 1q95 s LYS 129 Ca -0.08 0.76 0.00 0.00 -0.36 0.00 0.00 55.97 56.29 1q95 s LYS 129 Cb -0.08 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1q95 s LYS 129 CO -0.09 0.15 0.00 0.54 -0.36 0.00 0.00 175.35 175.59 1q95 n ARG 130 N 3.51 0.00 -3.23 4.03 1.74 -1.26 -4.97 116.66 116.48 1q95 n ARG 130 Ca -0.04 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.02 1q95 n ARG 130 Cb 0.51 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.93 1q95 n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q95 s ALA 131 N -2.87 -1.94 -1.14 7.54 0.00 -1.26 -4.89 121.76 117.20 1q95 s ALA 131 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.12 1q95 s ALA 131 Cb 0.00 -2.52 0.01 0.00 0.00 0.00 0.00 23.12 20.60 1q95 s ALA 131 CO 0.00 -2.09 0.06 -1.71 0.00 0.00 0.00 175.76 172.02 1q95 n ASN 132 N 4.66 -4.10 -2.75 0.00 5.15 -1.26 -4.85 115.26 112.12 1q95 n ASN 132 Ca 0.09 0.11 -0.05 0.00 -0.60 0.00 0.00 54.58 54.13 1q95 n ASN 132 Cb 0.54 -3.46 0.03 0.00 -0.53 0.00 0.00 39.78 36.35 1q95 n ASN 132 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1q95 n ASP 133 N -1.89 -3.12 -4.67 1.20 2.03 -1.26 -5.12 116.55 103.72 1q95 n ASP 133 Ca -0.14 -2.88 -0.45 0.00 0.52 0.00 0.00 54.79 51.83 1q95 n ASP 133 Cb 0.61 1.69 -0.03 0.00 -0.72 0.00 0.00 41.12 42.67 1q95 n ASP 133 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1q95 n ILE 134 N 2.49 0.56 -3.95 5.18 5.41 -1.26 -4.28 119.36 123.51 1q95 n ILE 134 Ca 0.14 -0.14 -0.36 0.00 1.00 0.00 0.00 62.75 63.39 1q95 n ILE 134 Cb 0.59 -1.52 -0.06 0.00 -0.71 0.00 0.00 39.64 37.94 1q95 n ILE 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1q95 s ALA 135 N 0.34 3.80 -0.14 -1.39 0.00 -0.53 -0.05 121.76 123.80 1q95 s ALA 135 Ca 0.72 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1q95 s ALA 135 Cb -0.66 -1.88 0.02 0.00 0.00 0.00 0.00 23.12 20.60 1q95 s ALA 135 CO 0.45 0.64 -0.15 -0.51 0.00 0.00 0.00 175.76 176.18 1q95 s LEU 136 N -1.16 1.74 -0.39 0.00 1.43 0.26 -2.36 118.68 118.20 1q95 s LEU 136 Ca 0.17 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 1q95 s LEU 136 Cb -0.12 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 44.94 1q95 s LEU 136 CO 0.06 -0.02 0.25 -0.75 0.23 0.00 0.00 176.35 176.12 1q95 s LYS 137 N 1.29 2.90 0.14 1.70 2.20 -0.97 -0.78 119.74 126.22 1q95 s LYS 137 Ca 0.01 -1.05 -0.33 0.00 -0.36 0.00 0.00 55.97 54.24 1q95 s LYS 137 Cb -0.14 -3.85 -0.13 0.00 -1.51 0.00 0.00 37.83 32.20 1q95 s LYS 137 CO -0.08 -0.72 1.65 0.00 -0.36 0.00 0.00 175.35 175.85 1q95 h LYS 139 N 6.59 0.96 0.00 0.00 3.64 -1.51 -0.26 116.57 125.99 1q95 h LYS 139 Ca -0.45 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1q95 h LYS 139 Cb 1.24 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1q95 h LYS 139 CO 0.91 0.64 -0.10 1.88 -2.27 0.00 0.00 179.45 180.51 1q95 h TYR 140 N 0.99 0.00 0.00 1.91 0.05 -1.90 -3.39 116.97 114.63 1q95 h TYR 140 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.18 1q95 h TYR 140 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1q95 h TYR 140 CO -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 1q95 n GLU 142 N -1.40 -1.24 -2.12 0.00 1.02 -0.11 -4.94 120.64 111.85 1q95 n GLU 142 Ca 0.06 0.27 -0.32 0.00 -0.02 0.00 0.00 57.16 57.15 1q95 n GLU 142 Cb 0.17 -4.46 -0.00 0.00 -0.02 0.00 0.00 31.44 27.13 1q95 n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1q95 s LYS 143 N -1.42 3.57 0.05 3.49 1.02 -1.26 -4.66 119.74 120.53 1q95 s LYS 143 Ca 0.00 1.02 0.08 0.00 0.02 0.00 0.00 55.97 57.10 1q95 s LYS 143 Cb 0.00 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 35.21 1q95 s LYS 143 CO 0.00 -0.59 -0.24 -2.00 -0.92 0.00 0.00 175.35 171.61 1q95 s GLU 144 N -4.30 1.58 0.35 1.68 2.12 -1.26 -1.45 118.70 117.42 1q95 s GLU 144 Ca 0.60 -1.04 0.06 0.00 0.36 0.00 0.00 54.97 54.95 1q95 s GLU 144 Cb -0.13 -1.74 -0.03 0.00 0.26 0.00 0.00 34.13 32.50 1q95 s GLU 144 CO 0.38 0.44 0.23 -0.06 -0.54 0.00 0.00 175.26 175.71 1q95 s PHE 145 N -0.81 1.75 0.09 5.30 0.40 0.04 -4.92 117.98 119.82 1q95 s PHE 145 Ca 0.10 -1.54 -0.03 0.00 -0.60 0.00 0.00 56.93 54.85 1q95 s PHE 145 Cb -0.09 -0.85 -0.05 0.00 0.51 0.00 0.00 43.02 42.53 1q95 s PHE 145 CO 0.02 -0.68 0.30 0.45 0.70 0.00 0.00 175.22 176.00 1q95 s SER 146 N -3.45 6.44 0.64 1.36 0.15 -1.26 0.91 113.70 118.49 1q95 s SER 146 Ca 0.35 0.46 0.38 0.00 0.70 0.00 0.00 55.95 57.83 1q95 s SER 146 Cb 0.02 -2.04 2.04 0.00 -1.71 0.00 0.00 66.02 64.34 1q95 s SER 146 CO 0.23 0.12 2.15 1.12 1.20 0.00 0.00 173.24 178.06 1q95 h HIS 147 N 3.07 0.00 0.00 3.44 2.07 -0.78 0.30 115.15 123.25 1q95 h HIS 147 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 1q95 h HIS 147 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 1q95 h HIS 147 CO 0.62 0.00 0.00 -0.91 -3.07 0.00 0.00 177.93 174.57 1q95 h ASN 148 N 0.00 0.00 0.00 3.10 2.35 -1.93 0.20 115.58 119.30 1q95 h ASN 148 Ca 0.00 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.53 1q95 h ASN 148 Cb 0.25 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 1q95 h ASN 148 CO 0.00 0.00 -2.18 0.52 -1.65 0.00 0.00 177.43 174.12 1q95 n VAL 149 N -2.41 0.84 -0.08 2.81 0.31 0.96 -3.65 118.33 117.11 1q95 n VAL 149 Ca 0.05 -0.69 -0.22 0.00 -0.01 0.00 0.00 64.34 63.48 1q95 n VAL 149 Cb 0.44 -0.30 -0.12 0.00 -0.91 0.00 0.00 33.84 32.95 1q95 n VAL 149 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1q95 h VAL 150 N 0.00 0.89 -0.20 2.52 2.07 -1.31 -3.33 116.25 116.88 1q95 h VAL 150 Ca -0.33 -2.23 -0.15 0.00 0.82 0.00 0.00 66.70 64.82 1q95 h VAL 150 Cb 1.73 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 33.82 1q95 h VAL 150 CO 0.02 0.45 -0.48 -0.07 0.02 0.00 0.00 177.57 177.51 1q95 h LEU 151 N -0.76 0.58 -4.68 2.57 3.38 -0.84 -3.04 115.31 112.53 1q95 h LEU 151 Ca -0.35 -0.29 -0.72 0.00 0.09 0.00 0.00 57.88 56.61 1q95 h LEU 151 Cb 1.46 -0.17 -0.27 0.00 0.09 0.00 0.00 40.66 41.78 1q95 h LEU 151 CO -0.13 0.97 0.96 0.00 0.09 0.00 0.00 178.44 180.33 1q95 n ALA 152 N -2.51 6.45 1.25 1.53 0.00 -1.24 -5.06 120.51 120.92 1q95 n ALA 152 Ca -0.02 -3.83 0.10 0.00 0.00 0.00 0.00 53.44 49.69 1q95 n ALA 152 Cb 0.56 -1.94 0.59 0.00 0.00 0.00 0.00 19.45 18.66 1q95 n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79