#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 4.26 0.32 2.03 -4.23 -1.26 -4.79 115.64 111.97 1q95 s THR 2 Ca 0.00 1.36 -0.03 0.00 -1.18 0.00 0.00 61.69 61.84 1q95 s THR 2 Cb 0.00 -4.43 -0.00 0.00 1.34 0.00 0.00 72.50 69.41 1q95 s THR 2 CO 0.00 -0.73 0.44 -1.00 -0.54 0.00 0.00 174.62 172.79 1q95 s HIS 3 N 4.30 1.01 -0.29 3.99 4.02 -1.23 -5.02 115.29 122.06 1q95 s HIS 3 Ca 0.50 -1.24 0.04 0.00 1.02 0.00 0.00 55.06 55.37 1q95 s HIS 3 Cb -0.11 -0.11 0.18 0.00 -1.02 0.00 0.00 32.58 31.52 1q95 s HIS 3 CO 0.25 -1.07 0.49 -0.51 1.02 0.00 0.00 174.74 174.92 1q95 s ASP 4 N -3.21 -0.48 -0.02 1.40 1.01 -1.26 -3.93 116.67 110.17 1q95 s ASP 4 Ca 0.30 -0.16 -0.04 0.00 0.71 0.00 0.00 52.55 53.36 1q95 s ASP 4 Cb 0.00 1.51 -0.18 0.00 1.01 0.00 0.00 42.92 45.26 1q95 s ASP 4 CO 0.19 -0.33 3.15 -3.20 0.21 0.00 0.00 175.17 175.18 1q95 n ASN 5 N 5.36 5.34 -1.51 0.27 5.15 -1.26 -4.30 115.26 124.31 1q95 n ASN 5 Ca 0.03 -2.50 -0.09 0.00 -0.60 0.00 0.00 54.58 51.41 1q95 n ASN 5 Cb 0.51 -1.33 0.02 0.00 -0.53 0.00 0.00 39.78 38.45 1q95 n ASN 5 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1q95 n LYS 6 N 2.14 -2.42 -3.49 1.20 4.81 -1.26 -5.02 118.16 114.12 1q95 n LYS 6 Ca 0.32 0.37 -0.22 0.00 -0.87 0.00 0.00 58.31 57.91 1q95 n LYS 6 Cb 0.79 -4.07 -0.13 0.00 0.02 0.00 0.00 35.03 31.64 1q95 n LYS 6 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1q95 s LEU 7 N -3.23 0.10 -0.36 3.14 1.43 -1.26 -4.81 118.68 113.68 1q95 s LEU 7 Ca 0.16 -0.73 -0.37 0.00 -1.03 0.00 0.00 54.13 52.16 1q95 s LEU 7 Cb -0.07 0.13 -0.13 0.00 0.03 0.00 0.00 46.19 46.15 1q95 s LEU 7 CO 0.20 -0.38 2.11 1.67 0.23 0.00 0.00 176.35 180.18 1q95 n GLN 8 N 5.29 0.92 -3.67 1.70 7.27 -1.26 -4.45 117.38 123.18 1q95 n GLN 8 Ca -0.05 0.27 -0.09 0.00 0.07 0.00 0.00 57.00 57.20 1q95 n GLN 8 Cb 0.46 -2.25 -0.09 0.00 2.41 0.00 0.00 30.24 30.77 1q95 n GLN 8 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1q95 s VAL 9 N 6.50 -0.10 -0.24 1.69 1.01 -1.25 -5.04 120.40 122.97 1q95 s VAL 9 Ca 1.09 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 63.11 1q95 s VAL 9 Cb -1.00 -0.75 0.11 0.00 0.00 0.00 0.00 36.38 34.75 1q95 s VAL 9 CO 0.54 0.03 0.26 -1.61 0.00 0.00 0.00 175.10 174.33 1q95 s GLU 10 N 1.61 0.25 0.52 2.72 2.02 -1.26 -3.54 118.70 121.03 1q95 s GLU 10 Ca -0.09 0.14 -0.06 0.00 0.02 0.00 0.00 54.97 54.98 1q95 s GLU 10 Cb -0.08 -0.94 -0.03 0.00 0.10 0.00 0.00 34.13 33.19 1q95 s GLU 10 CO -0.15 -0.77 0.83 0.00 0.02 0.00 0.00 175.26 175.19 1q95 s ALA 11 N 2.37 3.36 0.13 5.21 0.00 -1.26 -5.02 121.76 126.54 1q95 s ALA 11 Ca 0.09 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.54 1q95 s ALA 11 Cb -0.15 -2.63 0.01 0.00 0.00 0.00 0.00 23.12 20.34 1q95 s ALA 11 CO -0.19 -0.48 0.06 -0.89 0.00 0.00 0.00 175.76 174.26 1q95 n ILE 12 N -2.37 0.00 0.23 0.00 5.41 -1.26 -4.85 119.36 116.51 1q95 n ILE 12 Ca 0.02 -0.56 -0.13 0.00 1.00 0.00 0.00 62.75 63.08 1q95 n ILE 12 Cb 0.56 -0.19 -0.07 0.00 -0.71 0.00 0.00 39.64 39.22 1q95 n ILE 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1q95 h LYS 13 N 0.00 -0.59 -2.96 0.38 3.64 -1.94 -3.30 116.57 111.79 1q95 h LYS 13 Ca -0.09 0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 1q95 h LYS 13 Cb 0.31 0.13 -0.24 0.00 -0.41 0.00 0.00 32.23 32.03 1q95 h LYS 13 CO 0.15 -0.29 -0.33 -0.98 -2.27 0.00 0.00 179.45 175.73 1q95 s ARG 14 N -4.38 0.43 0.00 1.90 1.70 -1.26 0.13 118.95 117.47 1q95 s ARG 14 Ca -0.13 0.34 0.00 0.00 -0.47 0.00 0.00 55.73 55.47 1q95 s ARG 14 Cb 0.02 0.20 0.00 0.00 -0.57 0.00 0.00 34.95 34.60 1q95 s ARG 14 CO 0.45 -0.07 0.00 0.41 -1.08 0.00 0.00 175.30 175.01 1q95 n GLY 15 N 2.63 -0.48 3.34 3.88 0.00 -0.74 -1.41 105.19 112.41 1q95 n GLY 15 Ca -0.14 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 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 -4.00 2.05 -0.14 2.61 2.01 -0.74 0.58 115.64 118.02 1q95 s THR 16 Ca 0.00 -1.55 -0.01 0.00 0.31 0.00 0.00 61.69 60.44 1q95 s THR 16 Cb 0.00 -1.80 0.04 0.00 0.01 0.00 0.00 72.50 70.75 1q95 s THR 16 CO 0.00 0.15 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.38 1q95 s VAL 17 N -0.97 0.69 -0.51 3.82 1.01 0.52 -1.25 120.40 123.71 1q95 s VAL 17 Ca 0.11 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 1q95 s VAL 17 Cb -0.10 -0.94 0.13 0.00 0.00 0.00 0.00 36.38 35.47 1q95 s VAL 17 CO 0.04 0.10 0.41 -0.63 0.00 0.00 0.00 175.10 175.02 1q95 s ILE 18 N 1.82 4.56 0.43 2.22 1.01 0.11 -1.43 121.20 129.92 1q95 s ILE 18 Ca 0.02 -1.74 0.07 0.00 0.00 0.00 0.00 60.65 59.00 1q95 s ILE 18 Cb -0.14 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.37 1q95 s ILE 18 CO -0.07 -0.82 0.59 -0.62 0.00 0.00 0.00 174.94 174.02 1q95 s ASP 19 N 2.92 5.65 -1.51 3.58 3.68 -0.28 -1.52 116.67 129.19 1q95 s ASP 19 Ca 0.05 -0.33 -0.13 0.00 2.13 0.00 0.00 52.55 54.28 1q95 s ASP 19 Cb -0.27 -0.77 0.08 0.00 -1.45 0.00 0.00 42.92 40.52 1q95 s ASP 19 CO 0.00 -0.77 0.87 1.41 0.13 0.00 0.00 175.17 176.81 1q95 n HIS 20 N -1.90 -2.17 -2.87 -5.34 8.25 -1.25 -1.13 115.22 108.82 1q95 n HIS 20 Ca 0.07 0.80 -0.41 0.00 -0.26 0.00 0.00 57.72 57.92 1q95 n HIS 20 Cb 0.59 -3.79 -0.04 0.00 1.12 0.00 0.00 29.99 27.88 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 -3.22 4.90 0.51 1.59 1.01 -0.95 -2.69 121.20 122.34 1q95 s ILE 21 Ca 0.60 1.70 -0.21 0.00 0.00 0.00 0.00 60.65 62.74 1q95 s ILE 21 Cb -0.30 -4.16 -0.07 0.00 0.01 0.00 0.00 42.46 37.93 1q95 s ILE 21 CO 0.74 0.09 1.04 -2.65 0.00 0.00 0.00 174.94 174.16 1q95 n PRO 22 N 4.72 1.23 -1.68 2.79 -0.02 -1.26 -0.25 135.00 140.53 1q95 n PRO 22 Ca 0.04 0.45 -0.39 0.00 -2.02 0.00 0.00 63.50 61.58 1q95 n PRO 22 Cb 0.50 -2.17 0.04 0.00 -0.02 0.00 0.00 33.50 31.84 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 -1.08 0.92 -1.05 3.55 0.00 -1.26 -2.32 120.51 119.27 1q95 n ALA 23 Ca 0.11 0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.67 1q95 n ALA 23 Cb 0.43 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.65 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 -0.64 -0.58 -0.03 0.00 1.13 -1.26 -4.83 117.38 111.18 1q95 n GLN 24 Ca 0.10 0.31 -0.03 0.00 -1.94 0.00 0.00 57.00 55.45 1q95 n GLN 24 Cb 0.44 -3.87 -0.04 0.00 0.11 0.00 0.00 30.24 26.88 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 -2.72 0.34 -0.26 5.09 5.41 -0.98 -4.57 119.36 121.66 1q95 n ILE 25 Ca -0.02 -0.19 -0.02 0.00 1.00 0.00 0.00 62.75 63.53 1q95 n ILE 25 Cb 0.17 -0.83 0.04 0.00 -0.71 0.00 0.00 39.64 38.32 1q95 n ILE 25 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1q95 h GLY 26 N 0.82 0.16 1.48 7.39 0.00 -1.88 0.35 103.07 111.39 1q95 h GLY 26 Ca -0.13 0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1q95 h GLY 26 CO -0.00 -0.24 0.26 -2.75 0.00 0.00 0.00 176.54 173.81 1q95 h PHE 27 N -0.08 0.67 0.00 5.60 3.57 -1.95 -2.15 116.94 122.60 1q95 h PHE 27 Ca 0.31 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 1q95 h PHE 27 Cb 0.57 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1q95 h PHE 27 CO -0.68 0.48 -0.44 0.87 -2.23 0.00 0.00 178.31 176.32 1q95 h LYS 28 N 0.69 0.00 0.00 1.11 1.57 -0.64 -2.65 116.57 116.65 1q95 h LYS 28 Ca 0.18 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.84 1q95 h LYS 28 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1q95 h LYS 28 CO -0.03 0.44 -0.53 -0.07 -0.57 0.00 0.00 179.45 178.69 1q95 h LEU 29 N 0.00 0.00 -0.96 2.94 3.38 -0.43 -0.26 115.31 119.98 1q95 h LEU 29 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1q95 h LEU 29 Cb 0.81 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 1q95 h LEU 29 CO 0.06 0.53 0.63 -0.07 0.09 0.00 0.00 178.44 179.68 1q95 h LEU 30 N 0.00 1.09 0.13 1.67 3.38 -1.20 -2.08 115.31 118.30 1q95 h LEU 30 Ca -0.01 -0.02 -0.35 0.00 0.09 0.00 0.00 57.88 57.59 1q95 h LEU 30 Cb 1.15 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1q95 h LEU 30 CO 0.07 0.77 -1.86 0.77 0.09 0.00 0.00 178.44 178.28 1q95 h SER 31 N 1.28 0.43 -0.70 -0.43 4.64 -1.58 -1.32 113.55 115.86 1q95 h SER 31 Ca 0.36 -0.83 0.20 0.00 -0.47 0.00 0.00 61.79 61.05 1q95 h SER 31 Cb -0.10 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 61.82 1q95 h SER 31 CO -0.09 1.73 0.50 0.25 -0.87 0.00 0.00 176.83 178.35 1q95 h LEU 32 N 0.08 0.02 -2.98 5.97 5.85 -0.92 -0.58 115.31 122.75 1q95 h LEU 32 Ca -0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1q95 h LEU 32 Cb 2.05 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.08 1q95 h LEU 32 CO 0.12 0.01 0.00 0.49 -0.34 0.00 0.00 178.44 178.72 1q95 n PHE 33 N -4.34 0.10 -4.22 1.25 0.99 -0.79 -4.96 117.46 105.49 1q95 n PHE 33 Ca 0.14 -0.53 -0.34 0.00 -0.00 0.00 0.00 57.45 56.72 1q95 n PHE 33 Cb 0.76 -0.05 -0.04 0.00 -1.00 0.00 0.00 39.48 39.14 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 -0.36 -2.53 0.18 -1.08 4.76 -0.23 -4.83 118.16 114.08 1q95 n LYS 34 Ca 0.03 0.31 0.03 0.00 -2.87 0.00 0.00 58.31 55.81 1q95 n LYS 34 Cb 0.31 -4.70 0.40 0.00 -1.84 0.00 0.00 35.03 29.21 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 -1.53 0.05 -0.61 -0.35 3.38 -1.48 -2.86 115.31 111.90 1q95 h LEU 35 Ca -0.61 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.28 1q95 h LEU 35 Cb 1.38 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1q95 h LEU 35 CO 0.75 0.33 -0.32 0.71 0.09 0.00 0.00 178.44 179.99 1q95 h THR 36 N 0.05 0.66 0.00 0.22 1.35 -1.88 -3.36 112.91 109.94 1q95 h THR 36 Ca 0.01 -1.55 -0.63 0.00 -0.55 0.00 0.00 66.41 63.69 1q95 h THR 36 Cb 0.51 2.04 0.05 0.00 -1.73 0.00 0.00 68.15 69.02 1q95 h THR 36 CO 0.04 0.32 2.24 -0.62 -0.25 0.00 0.00 175.52 177.25 1q95 n GLU 37 N -3.32 1.42 -3.66 4.72 1.02 -1.08 -4.69 120.64 115.04 1q95 n GLU 37 Ca 0.01 -1.76 -0.08 0.00 -0.02 0.00 0.00 57.16 55.31 1q95 n GLU 37 Cb 0.55 -2.86 -0.02 0.00 -0.02 0.00 0.00 31.44 29.10 1q95 n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1q95 s THR 38 N 5.06 0.00 -1.18 2.62 -1.32 -1.26 -5.05 115.64 114.50 1q95 s THR 38 Ca 0.57 -0.51 0.19 0.00 -1.21 0.00 0.00 61.69 60.72 1q95 s THR 38 Cb 0.14 -1.56 -0.14 0.00 -1.51 0.00 0.00 72.50 69.43 1q95 s THR 38 CO 0.13 0.00 0.86 0.47 -2.21 0.00 0.00 174.62 173.86 1q95 n ASP 39 N -0.41 1.20 -4.85 8.08 10.43 -1.26 -4.99 116.55 124.75 1q95 n ASP 39 Ca -0.09 -1.10 -0.32 0.00 2.57 0.00 0.00 54.79 55.85 1q95 n ASP 39 Cb 0.62 0.83 -0.03 0.00 1.84 0.00 0.00 41.12 44.37 1q95 n ASP 39 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1q95 s GLN 40 N -2.58 3.91 0.13 -1.24 -0.21 -1.26 -4.98 119.66 113.43 1q95 s GLN 40 Ca 0.10 0.85 -0.32 0.00 0.02 0.00 0.00 55.36 56.01 1q95 s GLN 40 Cb 0.15 -2.19 -0.12 0.00 1.00 0.00 0.00 33.01 31.85 1q95 s GLN 40 CO 0.68 -0.22 1.78 -2.13 -2.12 0.00 0.00 175.29 173.28 1q95 n ARG 41 N -1.52 2.65 -4.95 2.91 0.63 -1.26 -4.82 116.66 110.30 1q95 n ARG 41 Ca 0.06 0.96 -0.27 0.00 -0.92 0.00 0.00 57.85 57.68 1q95 n ARG 41 Cb 0.54 -2.83 -0.15 0.00 0.45 0.00 0.00 32.46 30.47 1q95 n ARG 41 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1q95 s ILE 42 N 2.24 1.65 -0.11 5.15 1.01 -1.26 -1.52 121.20 128.37 1q95 s ILE 42 Ca 0.81 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 60.51 1q95 s ILE 42 Cb -0.53 -1.39 0.02 0.00 0.01 0.00 0.00 42.46 40.57 1q95 s ILE 42 CO 0.37 0.41 -0.10 -0.89 0.00 0.00 0.00 174.94 174.74 1q95 s THR 43 N -0.55 1.16 -0.02 2.92 2.01 -0.33 -5.00 115.64 115.83 1q95 s THR 43 Ca 0.08 -0.40 0.06 0.00 0.31 0.00 0.00 61.69 61.74 1q95 s THR 43 Cb -0.08 -1.14 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 1q95 s THR 43 CO -0.00 0.39 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.48 1q95 s ILE 44 N 1.45 1.63 -0.12 1.82 1.01 -1.26 -1.20 121.20 124.53 1q95 s ILE 44 Ca 0.01 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1q95 s ILE 44 Cb -0.13 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 41.01 1q95 s ILE 44 CO -0.06 0.46 -0.02 -0.83 0.00 0.00 0.00 174.94 174.49 1q95 s GLY 45 N -0.43 0.67 -0.01 6.18 0.00 0.11 -5.00 107.32 108.84 1q95 s GLY 45 Ca 0.07 -0.43 0.02 0.00 0.00 0.00 0.00 44.72 44.38 1q95 s GLY 45 CO -0.00 1.08 -0.05 1.08 0.00 0.00 0.00 173.10 175.20 1q95 s LEU 46 N 1.84 3.24 -1.71 0.66 1.43 -1.26 0.39 118.68 123.27 1q95 s LEU 46 Ca 0.03 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1q95 s LEU 46 Cb -0.14 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1q95 s LEU 46 CO -0.07 0.30 0.00 0.59 0.23 0.00 0.00 176.35 177.40 1q95 n ASN 47 N 1.64 -5.23 -4.75 2.29 5.03 -1.04 -4.95 115.26 108.25 1q95 n ASN 47 Ca -0.16 0.19 -0.34 0.00 0.87 0.00 0.00 54.58 55.15 1q95 n ASN 47 Cb 0.53 -4.30 0.06 0.00 -1.02 0.00 0.00 39.78 35.04 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 -4.72 3.38 0.46 3.41 1.43 0.29 -4.61 118.68 118.32 1q95 s LEU 48 Ca 0.00 2.14 -0.23 0.00 -1.03 0.00 0.00 54.13 55.00 1q95 s LEU 48 Cb 0.00 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.58 1q95 s LEU 48 CO 0.00 -1.84 1.22 -2.84 0.23 0.00 0.00 176.35 173.11 1q95 s PRO 49 N -3.99 3.71 -0.18 1.29 0.02 -1.26 0.02 135.00 134.61 1q95 s PRO 49 Ca 0.70 1.92 -0.04 0.00 0.02 0.00 0.00 61.00 63.60 1q95 s PRO 49 Cb -0.24 -2.46 0.08 0.00 0.02 0.00 0.00 34.50 31.90 1q95 s PRO 49 CO 0.42 -0.63 0.19 0.45 -0.33 0.00 0.00 177.00 177.10 1q95 s SER 50 N -1.17 1.43 0.00 2.53 0.15 0.62 -4.62 113.70 112.63 1q95 s SER 50 Ca 0.63 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1q95 s SER 50 Cb -0.32 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1q95 s SER 50 CO 0.39 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1q95 n GLY 51 N 5.31 0.00 3.09 9.45 0.00 -1.26 -1.55 105.19 120.23 1q95 n GLY 51 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 1q95 n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q95 n GLU 52 N 2.25 -1.10 -2.76 1.61 1.02 -1.26 -3.05 120.64 117.35 1q95 n GLU 52 Ca 0.00 1.22 -0.12 0.00 -0.02 0.00 0.00 57.16 58.24 1q95 n GLU 52 Cb 0.00 -1.41 -0.01 0.00 -0.02 0.00 0.00 31.44 30.00 1q95 n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q95 n MET 53 N 1.76 -2.65 -3.83 3.49 0.00 -1.26 -4.96 117.12 109.66 1q95 n MET 53 Ca -0.02 0.34 -0.23 0.00 0.00 0.00 0.00 57.70 57.79 1q95 n MET 53 Cb 0.28 -4.92 -0.05 0.00 0.00 0.00 0.00 33.22 28.53 1q95 n MET 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1q95 s GLY 54 N -2.22 2.24 0.05 3.17 0.00 -0.59 -4.93 107.32 105.03 1q95 s GLY 54 Ca 0.12 -1.94 0.02 0.00 0.00 0.00 0.00 44.72 42.93 1q95 s GLY 54 CO 0.15 -1.81 -0.08 1.09 0.00 0.00 0.00 173.10 172.45 1q95 s ARG 55 N -4.04 0.56 0.14 2.90 1.70 -1.25 0.23 118.95 119.18 1q95 s ARG 55 Ca 0.44 -0.78 -0.14 0.00 -0.47 0.00 0.00 55.73 54.78 1q95 s ARG 55 Cb -0.00 -0.34 0.02 0.00 -0.57 0.00 0.00 34.95 34.06 1q95 s ARG 55 CO 0.25 0.06 0.37 -1.59 -1.08 0.00 0.00 175.30 173.31 1q95 s LYS 56 N -1.60 1.10 0.12 3.89 -2.85 0.10 -4.34 119.74 116.15 1q95 s LYS 56 Ca -0.09 -0.85 0.03 0.00 -1.00 0.00 0.00 55.97 54.06 1q95 s LYS 56 Cb -0.10 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 1q95 s LYS 56 CO 0.01 -0.42 0.15 -0.51 0.10 0.00 0.00 175.35 174.67 1q95 s ASP 57 N -2.85 5.79 -0.09 0.03 1.01 0.65 -0.54 116.67 120.67 1q95 s ASP 57 Ca 0.07 0.03 -0.04 0.00 0.71 0.00 0.00 52.55 53.31 1q95 s ASP 57 Cb 0.02 -1.62 0.05 0.00 1.01 0.00 0.00 42.92 42.38 1q95 s ASP 57 CO -0.08 0.12 0.20 -0.22 0.21 0.00 0.00 175.17 175.40 1q95 s LEU 58 N -2.78 0.40 -0.03 1.23 2.96 0.16 -2.25 118.68 118.38 1q95 s LEU 58 Ca 0.32 0.43 0.06 0.00 -0.22 0.00 0.00 54.13 54.71 1q95 s LEU 58 Cb -0.11 0.55 -0.01 0.00 0.50 0.00 0.00 46.19 47.11 1q95 s LEU 58 CO 0.24 -0.17 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.27 1q95 s ILE 59 N 1.45 1.60 -0.06 6.68 1.01 -0.58 -0.71 121.20 130.58 1q95 s ILE 59 Ca -0.07 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.74 1q95 s ILE 59 Cb -0.11 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.04 1q95 s ILE 59 CO -0.07 0.45 -0.07 -0.54 0.00 0.00 0.00 174.94 174.71 1q95 s LYS 60 N -0.31 1.18 -0.04 2.79 1.02 -0.34 0.09 119.74 124.13 1q95 s LYS 60 Ca 0.04 -0.20 0.06 0.00 0.02 0.00 0.00 55.97 55.89 1q95 s LYS 60 Cb -0.09 -1.15 -0.02 0.00 -0.52 0.00 0.00 37.83 36.05 1q95 s LYS 60 CO 0.00 -0.10 -0.21 0.42 -0.92 0.00 0.00 175.35 174.54 1q95 s ILE 61 N 1.08 2.48 -0.16 2.17 1.09 -0.38 -1.18 121.20 126.30 1q95 s ILE 61 Ca -0.08 -0.94 -0.18 0.00 -1.10 0.00 0.00 60.65 58.35 1q95 s ILE 61 Cb -0.14 -1.92 -0.04 0.00 -1.06 0.00 0.00 42.46 39.30 1q95 s ILE 61 CO -0.01 0.58 0.49 -0.70 -0.10 0.00 0.00 174.94 175.20 1q95 s GLU 62 N -0.61 4.26 -1.21 2.79 2.12 -0.57 -1.78 118.70 123.69 1q95 s GLU 62 Ca 0.09 0.41 -0.09 0.00 0.36 0.00 0.00 54.97 55.75 1q95 s GLU 62 Cb -0.11 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.77 1q95 s GLU 62 CO 0.00 0.01 0.75 0.09 -0.54 0.00 0.00 175.26 175.57 1q95 n ASN 63 N 4.22 -3.47 -3.64 -1.70 5.03 -0.50 -4.64 115.26 110.54 1q95 n ASN 63 Ca -0.06 -0.89 -0.15 0.00 0.87 0.00 0.00 54.58 54.35 1q95 n ASN 63 Cb 0.51 -3.91 -0.08 0.00 -1.02 0.00 0.00 39.78 35.28 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 -3.57 0.01 0.08 3.41 2.01 -1.26 -5.03 115.64 111.29 1q95 s THR 64 Ca 0.25 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.21 1q95 s THR 64 Cb -0.07 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1q95 s THR 64 CO 0.82 -0.03 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.29 1q95 s PHE 65 N -0.25 0.84 -0.01 4.92 0.40 -1.26 -2.95 117.98 119.67 1q95 s PHE 65 Ca -0.04 -0.80 -0.13 0.00 -0.60 0.00 0.00 56.93 55.36 1q95 s PHE 65 Cb -0.03 -0.49 -0.05 0.00 0.51 0.00 0.00 43.02 42.95 1q95 s PHE 65 CO 0.04 -0.13 0.36 -0.51 0.70 0.00 0.00 175.22 175.68 1q95 s LEU 66 N -2.64 4.44 0.80 -0.37 1.43 -1.26 -5.06 118.68 116.02 1q95 s LEU 66 Ca 0.06 0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 53.89 1q95 s LEU 66 Cb 0.01 -2.55 0.08 0.00 0.03 0.00 0.00 46.19 43.76 1q95 s LEU 66 CO -0.03 0.32 1.15 -0.94 0.23 0.00 0.00 176.35 177.08 1q95 s SER 67 N -1.17 3.88 0.60 2.29 1.04 -1.26 -4.76 113.70 114.32 1q95 s SER 67 Ca 0.24 2.14 0.34 0.00 0.48 0.00 0.00 55.95 59.15 1q95 s SER 67 Cb -0.15 -2.56 1.95 0.00 0.10 0.00 0.00 66.02 65.36 1q95 s SER 67 CO 0.12 -2.47 2.26 -0.33 0.98 0.00 0.00 173.24 173.81 1q95 h GLU 68 N -1.04 0.00 -0.27 4.02 5.08 -1.99 -0.81 114.58 119.57 1q95 h GLU 68 Ca -0.45 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.82 1q95 h GLU 68 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1q95 h GLU 68 CO 0.47 0.01 -0.18 -0.44 -1.00 0.00 0.00 179.01 177.88 1q95 h ASP 69 N 0.00 0.63 -0.34 1.42 3.32 -1.89 -2.00 116.42 117.56 1q95 h ASP 69 Ca -0.00 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 56.56 1q95 h ASP 69 Cb 0.05 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1q95 h ASP 69 CO 0.00 0.93 -0.00 1.56 -1.72 0.00 0.00 179.24 180.00 1q95 h GLN 70 N 0.34 0.61 -0.90 3.56 4.20 -1.51 0.31 115.11 121.71 1q95 h GLN 70 Ca 0.06 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.58 1q95 h GLN 70 Cb 0.71 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.39 1q95 h GLN 70 CO 0.05 0.73 0.60 0.28 -0.67 0.00 0.00 178.83 179.82 1q95 h VAL 71 N 0.42 1.22 -0.28 -0.54 2.07 -1.38 0.48 116.25 118.24 1q95 h VAL 71 Ca 0.10 -0.41 -0.15 0.00 0.82 0.00 0.00 66.70 67.05 1q95 h VAL 71 Cb 0.46 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1q95 h VAL 71 CO 0.02 0.22 -0.43 0.44 0.02 0.00 0.00 177.57 177.84 1q95 h ASP 72 N 1.21 0.76 -0.50 0.57 3.45 -1.05 -0.63 116.42 120.23 1q95 h ASP 72 Ca 0.33 -0.35 -0.05 0.00 0.43 0.00 0.00 57.03 57.39 1q95 h ASP 72 Cb -0.12 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.42 1q95 h ASP 72 CO -0.08 1.08 0.13 -0.61 -1.57 0.00 0.00 179.24 178.19 1q95 h GLN 73 N 0.57 0.80 -0.77 3.56 4.15 0.70 -2.62 115.11 121.50 1q95 h GLN 73 Ca 0.04 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.25 1q95 h GLN 73 Cb 0.97 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.52 1q95 h GLN 73 CO 0.09 0.77 0.38 1.25 -1.93 0.00 0.00 178.83 179.38 1q95 h LEU 74 N 0.69 0.99 -2.06 -2.39 5.85 0.23 -1.66 115.31 116.96 1q95 h LEU 74 Ca 0.16 -0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.88 1q95 h LEU 74 Cb 0.32 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1q95 h LEU 74 CO 0.00 0.83 0.33 0.00 -0.34 0.00 0.00 178.44 179.26 1q95 h ALA 75 N 1.32 2.20 0.05 1.25 0.00 -0.73 0.30 119.26 123.65 1q95 h ALA 75 Ca 0.27 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.90 1q95 h ALA 75 Cb 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1q95 h ALA 75 CO -0.04 -0.52 -1.45 -0.07 0.00 0.00 0.00 179.25 177.18 1q95 h LEU 76 N 0.00 0.16 -0.44 0.00 3.38 -1.25 -3.21 115.31 113.95 1q95 h LEU 76 Ca 0.18 -0.69 -0.04 0.00 0.09 0.00 0.00 57.88 57.43 1q95 h LEU 76 Cb 0.83 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1q95 h LEU 76 CO -0.00 1.60 0.13 0.22 0.09 0.00 0.00 178.44 180.48 1q95 h TYR 77 N -0.62 0.72 -2.27 1.13 -0.00 -0.84 -3.39 116.97 111.69 1q95 h TYR 77 Ca -0.35 -0.07 -0.50 0.00 -0.00 0.00 0.00 58.73 57.80 1q95 h TYR 77 Cb 1.55 -0.21 -0.35 0.00 -0.00 0.00 0.00 36.73 37.72 1q95 h TYR 77 CO 0.10 0.65 -0.81 0.00 -0.00 0.00 0.00 178.16 178.10 1q95 s ALA 78 N -5.39 0.48 0.54 1.82 0.00 0.10 -4.99 121.76 114.32 1q95 s ALA 78 Ca -0.13 -1.66 0.31 0.00 0.00 0.00 0.00 51.96 50.48 1q95 s ALA 78 Cb 0.11 -1.78 1.47 0.00 0.00 0.00 0.00 23.12 22.91 1q95 s ALA 78 CO 0.77 -2.10 1.90 -1.35 0.00 0.00 0.00 175.76 174.99 1q95 h PRO 79 N 6.64 0.00 -0.27 0.00 0.11 -1.68 -0.81 132.00 135.98 1q95 h PRO 79 Ca 0.10 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.04 1q95 h PRO 79 Cb 0.99 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1q95 h PRO 79 CO 0.25 0.00 -0.51 1.96 -0.21 0.00 0.00 178.00 179.49 1q95 h GLN 80 N 0.00 0.83 -6.05 1.05 4.20 -1.89 -3.46 115.11 109.79 1q95 h GLN 80 Ca 0.40 -0.53 -0.60 0.00 0.06 0.00 0.00 58.65 57.99 1q95 h GLN 80 Cb 1.61 0.06 0.18 0.00 0.30 0.00 0.00 27.48 29.64 1q95 h GLN 80 CO -0.00 1.16 -1.09 0.00 -0.67 0.00 0.00 178.83 178.23 1q95 n ALA 81 N -2.56 -2.91 -3.66 3.87 0.00 -0.31 -4.81 120.51 110.13 1q95 n ALA 81 Ca -0.05 -0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.17 1q95 n ALA 81 Cb 0.61 -1.45 -0.16 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.97 0.27 -0.19 0.00 2.01 -0.28 -4.99 115.64 110.49 1q95 s THR 82 Ca 0.58 0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.58 1q95 s THR 82 Cb -0.49 -0.34 -0.00 0.00 0.01 0.00 0.00 72.50 71.67 1q95 s THR 82 CO 0.65 0.16 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.96 1q95 s VAL 83 N 0.94 3.05 0.11 3.82 1.01 -1.26 -1.12 120.40 126.95 1q95 s VAL 83 Ca -0.10 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.31 1q95 s VAL 83 Cb -0.13 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1q95 s VAL 83 CO -0.01 0.47 -0.13 0.20 0.00 0.00 0.00 175.10 175.63 1q95 s ASN 84 N 1.14 1.83 0.04 3.32 0.01 -0.52 -4.97 114.94 115.80 1q95 s ASN 84 Ca 0.01 -0.79 0.04 0.00 -0.71 0.00 0.00 52.86 51.41 1q95 s ASN 84 Cb -0.14 -0.05 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 1q95 s ASN 84 CO -0.03 -0.17 -0.06 -0.13 -1.51 0.00 0.00 177.10 175.20 1q95 s ARG 85 N -2.61 2.45 -0.14 -0.60 0.52 -1.26 -0.35 118.95 116.96 1q95 s ARG 85 Ca 0.07 -0.81 -0.04 0.00 -0.52 0.00 0.00 55.73 54.43 1q95 s ARG 85 Cb -0.05 -2.46 -0.03 0.00 0.52 0.00 0.00 34.95 32.93 1q95 s ARG 85 CO 0.02 0.57 -0.02 0.42 0.02 0.00 0.00 175.30 176.31 1q95 s ILE 86 N -1.09 4.04 -0.11 1.52 1.09 0.20 -2.14 121.20 124.70 1q95 s ILE 86 Ca 0.19 -0.31 -0.00 0.00 -1.10 0.00 0.00 60.65 59.43 1q95 s ILE 86 Cb -0.11 -2.76 0.02 0.00 -1.06 0.00 0.00 42.46 38.55 1q95 s ILE 86 CO 0.11 0.51 -0.09 -0.62 -0.10 0.00 0.00 174.94 174.74 1q95 s ASP 87 N 0.13 2.23 -0.98 3.58 -1.08 0.05 -1.78 116.67 118.82 1q95 s ASP 87 Ca -0.00 -0.34 -0.12 0.00 -0.52 0.00 0.00 52.55 51.57 1q95 s ASP 87 Cb -0.13 -0.90 0.00 0.00 -1.46 0.00 0.00 42.92 40.42 1q95 s ASP 87 CO 0.02 -0.09 0.71 0.59 0.52 0.00 0.00 175.17 176.93 1q95 n ASN 88 N 4.80 -5.57 -3.02 -0.34 3.02 -0.71 -1.39 115.26 112.05 1q95 n ASN 88 Ca -0.14 -0.85 -0.16 0.00 -0.03 0.00 0.00 54.58 53.40 1q95 n ASN 88 Cb 0.50 -3.10 -0.01 0.00 -0.61 0.00 0.00 39.78 36.56 1q95 n ASN 88 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1q95 n TYR 89 N -3.36 -1.70 -3.73 3.10 4.02 0.34 -4.91 117.16 110.92 1q95 n TYR 89 Ca -0.14 0.24 -0.12 0.00 -0.01 0.00 0.00 57.90 57.87 1q95 n TYR 89 Cb 0.60 -2.17 -0.12 0.00 -0.02 0.00 0.00 39.34 37.63 1q95 n TYR 89 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1q95 s GLU 90 N -5.61 0.29 0.56 -0.72 2.12 -0.49 -4.52 118.70 110.33 1q95 s GLU 90 Ca 0.23 0.57 -0.19 0.00 0.36 0.00 0.00 54.97 55.95 1q95 s GLU 90 Cb -0.13 -0.02 -0.05 0.00 0.26 0.00 0.00 34.13 34.19 1q95 s GLU 90 CO 0.29 -0.13 1.13 0.54 -0.54 0.00 0.00 175.26 176.54 1q95 s VAL 91 N 1.02 3.18 -0.26 3.70 0.11 -1.26 -0.77 120.40 126.12 1q95 s VAL 91 Ca -0.07 0.70 -0.01 0.00 -2.93 0.00 0.00 61.98 59.67 1q95 s VAL 91 Cb -0.08 -3.26 0.03 0.00 -1.53 0.00 0.00 36.38 31.55 1q95 s VAL 91 CO -0.07 -0.19 -0.05 -0.69 -3.33 0.00 0.00 175.10 170.76 1q95 s VAL 92 N -1.87 2.86 0.58 2.04 1.01 -0.91 -4.88 120.40 119.24 1q95 s VAL 92 Ca 0.72 -1.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 1q95 s VAL 92 Cb -0.23 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1q95 s VAL 92 CO 0.29 0.12 1.09 0.61 0.00 0.00 0.00 175.10 177.21 1q95 n GLY 93 N 4.65 0.02 2.99 4.51 0.00 -1.26 -4.53 105.19 111.56 1q95 n GLY 93 Ca -0.16 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 1q95 n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q95 s LYS 94 N -2.79 0.96 -0.29 1.61 -2.85 -1.26 -5.08 119.74 110.03 1q95 s LYS 94 Ca 0.75 -0.29 -0.34 0.00 -1.00 0.00 0.00 55.97 55.09 1q95 s LYS 94 Cb -0.42 -0.89 -0.10 0.00 -2.06 0.00 0.00 37.83 34.35 1q95 s LYS 94 CO 0.47 0.10 2.14 -1.13 0.10 0.00 0.00 175.35 177.03 1q95 n SER 95 N 3.34 2.51 0.00 0.03 3.41 -1.26 -4.67 113.62 116.98 1q95 n SER 95 Ca -0.19 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1q95 n SER 95 Cb 0.54 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 1q95 n SER 95 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1q95 n ARG 96 N 8.00 0.00 -1.12 4.33 1.74 -1.26 -4.76 116.66 123.58 1q95 n ARG 96 Ca 0.36 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 57.08 1q95 n ARG 96 Cb 0.27 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.71 1q95 n ARG 96 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1q95 n PRO 97 N 0.00 0.00 -3.99 5.56 -0.02 -1.26 -5.05 135.00 130.24 1q95 n PRO 97 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 1q95 n PRO 97 Cb 0.00 -0.86 -0.12 0.00 -0.02 0.00 0.00 33.50 32.50 1q95 n PRO 97 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1q95 s SER 98 N -0.86 0.36 0.19 2.55 0.15 -1.26 -5.13 113.70 109.69 1q95 s SER 98 Ca 0.51 -0.44 -0.32 0.00 0.70 0.00 0.00 55.95 56.40 1q95 s SER 98 Cb -0.56 0.07 -0.12 0.00 -1.71 0.00 0.00 66.02 63.71 1q95 s SER 98 CO 0.54 -0.23 1.75 -0.11 1.20 0.00 0.00 173.24 176.39 1q95 n LEU 99 N 1.78 4.02 -4.70 3.45 7.94 -1.26 -4.95 117.00 123.28 1q95 n LEU 99 Ca -0.22 1.04 -0.35 0.00 -1.11 0.00 0.00 56.01 55.38 1q95 n LEU 99 Cb 0.56 -1.57 0.11 0.00 0.53 0.00 0.00 43.42 43.05 1q95 n LEU 99 CO 0.21 0.19 0.80 -2.65 -1.11 0.00 0.00 177.39 174.82 1q95 n PRO 100 N 4.36 0.47 -0.03 1.96 -0.02 -1.26 -4.95 135.00 135.53 1q95 n PRO 100 Ca 0.16 0.23 -0.15 0.00 -2.02 0.00 0.00 63.50 61.72 1q95 n PRO 100 Cb 0.35 -2.46 -0.14 0.00 -0.02 0.00 0.00 33.50 31.24 1q95 n PRO 100 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1q95 n GLU 101 N -2.82 0.69 -3.80 -0.52 1.02 -1.26 -4.54 120.64 109.41 1q95 n GLU 101 Ca 0.14 0.23 -0.12 0.00 -0.02 0.00 0.00 57.16 57.39 1q95 n GLU 101 Cb 0.50 -1.70 -0.09 0.00 -0.02 0.00 0.00 31.44 30.13 1q95 n GLU 101 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1q95 s ARG 102 N -2.56 0.66 -0.10 3.49 3.52 -1.26 -0.51 118.95 122.20 1q95 s ARG 102 Ca -0.16 -0.37 -0.00 0.00 -0.13 0.00 0.00 55.73 55.07 1q95 s ARG 102 Cb 0.07 0.29 0.02 0.00 -1.56 0.00 0.00 34.95 33.77 1q95 s ARG 102 CO 0.78 -0.19 -0.06 0.42 -0.81 0.00 0.00 175.30 175.44 1q95 s ILE 103 N -1.77 0.84 0.22 4.11 1.01 -0.66 -4.94 121.20 120.01 1q95 s ILE 103 Ca -0.11 -0.19 0.11 0.00 0.00 0.00 0.00 60.65 60.46 1q95 s ILE 103 Cb -0.04 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.49 1q95 s ILE 103 CO 0.01 0.33 -0.22 -1.81 0.00 0.00 0.00 174.94 173.25 1q95 s ASP 104 N 1.65 3.38 0.00 3.58 -0.00 -1.26 -1.02 116.67 123.00 1q95 s ASP 104 Ca 0.03 -0.93 0.00 0.00 -0.00 0.00 0.00 52.55 51.65 1q95 s ASP 104 Cb -0.13 -0.26 0.00 0.00 -0.00 0.00 0.00 42.92 42.54 1q95 s ASP 104 CO -0.06 0.07 0.00 0.59 -0.00 0.00 0.00 175.17 175.77 1q95 n ASN 105 N -0.06 0.00 0.16 0.27 3.02 0.07 -4.68 115.26 114.04 1q95 n ASN 105 Ca -0.10 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.50 1q95 n ASN 105 Cb 0.58 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.82 1q95 n ASN 105 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1q95 h VAL 106 N 0.00 0.67 -1.32 2.41 -1.51 -1.90 -3.42 116.25 111.19 1q95 h VAL 106 Ca 0.00 -1.92 -0.46 0.00 -1.23 0.00 0.00 66.70 63.09 1q95 h VAL 106 Cb 0.00 2.31 0.03 0.00 -2.13 0.00 0.00 31.29 31.50 1q95 h VAL 106 CO 0.00 0.38 -0.13 -0.76 -1.23 0.00 0.00 177.57 175.83 1q95 s LEU 107 N -6.42 3.30 -0.01 4.19 1.43 -1.26 -4.41 118.68 115.51 1q95 s LEU 107 Ca 0.05 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1q95 s LEU 107 Cb 0.07 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 44.15 1q95 s LEU 107 CO 0.73 -1.17 -0.00 0.54 0.23 0.00 0.00 176.35 176.67 1q95 s VAL 108 N -2.61 0.07 0.20 -1.59 0.11 -0.82 -4.70 120.40 111.05 1q95 s VAL 108 Ca 0.59 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 59.33 1q95 s VAL 108 Cb -0.08 -0.09 -0.12 0.00 -1.53 0.00 0.00 36.38 34.56 1q95 s VAL 108 CO 0.37 0.04 1.72 0.00 -3.33 0.00 0.00 175.10 173.91 1q95 h PRO 110 N 6.97 0.00 -6.50 0.00 0.11 -1.95 -3.41 132.00 127.22 1q95 h PRO 110 Ca -0.43 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.11 1q95 h PRO 110 Cb 1.20 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1q95 h PRO 110 CO 0.95 0.08 1.09 1.21 -0.21 0.00 0.00 178.00 181.13 1q95 s ASN 111 N -5.95 6.29 0.21 -2.05 2.47 -1.26 -4.90 114.94 109.75 1q95 s ASN 111 Ca -0.03 0.90 0.20 0.00 0.42 0.00 0.00 52.86 54.35 1q95 s ASN 111 Cb 0.13 -2.54 0.90 0.00 -1.45 0.00 0.00 41.25 38.29 1q95 s ASN 111 CO 0.55 -1.46 1.62 -1.54 -3.72 0.00 0.00 177.10 172.55 1q95 n SER 112 N 8.97 0.50 -0.59 -4.21 3.41 -1.26 -1.90 113.62 118.54 1q95 n SER 112 Ca 0.17 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.55 1q95 n SER 112 Cb 0.48 -0.75 0.15 0.00 -0.26 0.00 0.00 64.21 63.83 1q95 n SER 112 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1q95 n ASN 113 N -2.08 2.09 -4.70 4.04 5.15 -1.26 -4.92 115.26 113.59 1q95 n ASN 113 Ca 0.01 -1.55 -0.42 0.00 -0.60 0.00 0.00 54.58 52.02 1q95 n ASN 113 Cb 0.16 0.23 -0.03 0.00 -0.53 0.00 0.00 39.78 39.61 1q95 n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1q95 h ILE 115 N 4.64 0.38 -0.43 0.00 6.09 -1.91 -2.23 117.51 124.04 1q95 h ILE 115 Ca -0.42 0.00 0.13 0.00 -1.37 0.00 0.00 64.86 63.19 1q95 h ILE 115 Cb 1.20 0.46 -0.02 0.00 0.47 0.00 0.00 36.82 38.93 1q95 h ILE 115 CO 0.92 0.00 0.42 0.77 -3.07 0.00 0.00 178.15 177.19 1q95 h SER 116 N 0.00 0.00 0.00 2.19 4.64 -1.95 -3.35 113.55 115.09 1q95 h SER 116 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1q95 h SER 116 Cb 1.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.97 1q95 h SER 116 CO -0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 1q95 n HIS 117 N -3.86 0.00 -1.00 4.77 8.25 -0.84 -3.32 115.22 119.21 1q95 n HIS 117 Ca 0.08 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.30 1q95 n HIS 117 Cb 0.61 -0.28 0.10 0.00 1.12 0.00 0.00 29.99 31.53 1q95 n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q95 n ALA 118 N -1.93 5.48 -2.42 -1.41 0.00 -1.25 -4.97 120.51 114.00 1q95 n ALA 118 Ca 0.00 -2.60 -0.22 0.00 0.00 0.00 0.00 53.44 50.62 1q95 n ALA 118 Cb 0.00 -1.50 -0.11 0.00 0.00 0.00 0.00 19.45 17.84 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 -2.90 1.41 0.00 0.00 0.41 -1.21 -5.02 118.70 111.39 1q95 s GLU 119 Ca 0.50 -1.56 -0.01 0.00 -0.41 0.00 0.00 54.97 53.49 1q95 s GLU 119 Cb 0.40 -1.42 -0.06 0.00 -1.78 0.00 0.00 34.13 31.27 1q95 s GLU 119 CO 0.04 0.27 1.29 -2.30 -0.49 0.00 0.00 175.26 174.07 1q95 n PRO 120 N -0.12 0.60 -4.27 0.39 -0.02 -1.26 -4.79 135.00 125.52 1q95 n PRO 120 Ca -0.10 -0.22 -0.17 0.00 -2.02 0.00 0.00 63.50 60.99 1q95 n PRO 120 Cb 0.59 -1.52 -0.14 0.00 -0.02 0.00 0.00 33.50 32.40 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 1.80 0.73 0.15 -1.45 -7.23 -1.26 -5.14 120.40 108.00 1q95 s VAL 121 Ca 0.14 -0.63 -0.25 0.00 -1.81 0.00 0.00 61.98 59.43 1q95 s VAL 121 Cb 0.07 -0.66 -0.08 0.00 0.56 0.00 0.00 36.38 36.28 1q95 s VAL 121 CO 0.00 0.03 0.77 -0.44 -0.31 0.00 0.00 175.10 175.15 1q95 s SER 122 N -0.67 7.37 0.78 4.85 0.01 -1.26 -4.99 113.70 119.78 1q95 s SER 122 Ca 0.00 1.62 -0.11 0.00 1.31 0.00 0.00 55.95 58.77 1q95 s SER 122 Cb -0.05 -2.49 0.06 0.00 0.21 0.00 0.00 66.02 63.74 1q95 s SER 122 CO 0.00 0.19 1.09 -0.94 0.41 0.00 0.00 173.24 174.00 1q95 s SER 123 N -1.05 4.65 -0.17 2.44 1.04 -1.26 -4.80 113.70 114.56 1q95 s SER 123 Ca 0.36 1.38 -0.28 0.00 0.48 0.00 0.00 55.95 57.89 1q95 s SER 123 Cb -0.23 -2.15 0.08 0.00 0.10 0.00 0.00 66.02 63.83 1q95 s SER 123 CO 0.26 -1.88 0.76 -0.55 0.98 0.00 0.00 173.24 172.81 1q95 s SER 124 N -3.86 -0.65 -0.01 7.02 0.15 -1.26 -0.75 113.70 114.33 1q95 s SER 124 Ca 0.60 1.01 -0.02 0.00 0.70 0.00 0.00 55.95 58.24 1q95 s SER 124 Cb -0.14 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 65.10 1q95 s SER 124 CO 0.54 -0.40 0.05 -0.36 1.20 0.00 0.00 173.24 174.27 1q95 s PHE 125 N -0.41 -0.01 -0.05 3.44 0.40 -0.19 -2.05 117.98 119.11 1q95 s PHE 125 Ca -0.04 0.03 -0.22 0.00 -0.60 0.00 0.00 56.93 56.10 1q95 s PHE 125 Cb -0.03 -0.01 -0.04 0.00 0.51 0.00 0.00 43.02 43.45 1q95 s PHE 125 CO 0.04 -0.07 0.65 0.00 0.70 0.00 0.00 175.22 176.55 1q95 s ALA 126 N -0.26 3.39 -0.11 5.36 0.00 0.88 -1.66 121.76 129.35 1q95 s ALA 126 Ca -0.03 0.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.91 1q95 s ALA 126 Cb -0.02 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1q95 s ALA 126 CO 0.00 -0.02 0.20 0.08 0.00 0.00 0.00 175.76 176.02 1q95 s VAL 127 N 0.52 5.39 -0.08 0.00 1.01 0.34 -1.73 120.40 125.85 1q95 s VAL 127 Ca 0.35 0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.64 1q95 s VAL 127 Cb -0.18 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 32.76 1q95 s VAL 127 CO 0.17 0.57 0.18 -0.60 0.00 0.00 0.00 175.10 175.42 1q95 s ARG 128 N -0.71 0.10 -0.31 2.72 3.52 -0.55 -4.75 118.95 118.97 1q95 s ARG 128 Ca 0.16 0.48 -0.29 0.00 -0.13 0.00 0.00 55.73 55.95 1q95 s ARG 128 Cb -0.13 -0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.09 1q95 s ARG 128 CO 0.05 -0.21 1.28 0.21 -0.81 0.00 0.00 175.30 175.82 1q95 s LYS 129 N 1.58 3.90 0.52 5.12 2.20 -1.26 -1.12 119.74 130.68 1q95 s LYS 129 Ca -0.05 1.20 0.05 0.00 -0.36 0.00 0.00 55.97 56.80 1q95 s LYS 129 Cb -0.12 -3.88 0.02 0.00 -1.51 0.00 0.00 37.83 32.34 1q95 s LYS 129 CO -0.07 -1.13 0.28 0.50 -0.36 0.00 0.00 175.35 174.58 1q95 s ARG 130 N 4.17 2.25 -0.15 4.03 3.52 0.86 -4.95 118.95 128.67 1q95 s ARG 130 Ca 0.55 -2.08 -0.29 0.00 -0.13 0.00 0.00 55.73 53.78 1q95 s ARG 130 Cb -0.16 -1.96 -0.05 0.00 -1.56 0.00 0.00 34.95 31.23 1q95 s ARG 130 CO 0.23 -0.49 1.81 0.00 -0.81 0.00 0.00 175.30 176.04 1q95 s ALA 131 N -2.77 3.26 -1.52 6.12 0.00 -1.26 -2.72 121.76 122.87 1q95 s ALA 131 Ca 0.28 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1q95 s ALA 131 Cb -0.01 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.23 1q95 s ALA 131 CO 0.17 -1.99 0.00 0.09 0.00 0.00 0.00 175.76 174.03 1q95 n ASN 132 N 8.79 -4.90 -3.64 0.00 3.02 -1.26 -4.91 115.26 112.36 1q95 n ASN 132 Ca 0.21 0.14 -0.02 0.00 -0.03 0.00 0.00 54.58 54.88 1q95 n ASN 132 Cb 0.44 -4.16 -0.02 0.00 -0.61 0.00 0.00 39.78 35.42 1q95 n ASN 132 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1q95 s ASP 133 N -2.12 -0.03 -0.24 6.41 2.15 -1.10 -5.14 116.67 116.61 1q95 s ASP 133 Ca 0.00 0.00 -0.08 0.00 0.43 0.00 0.00 52.55 52.91 1q95 s ASP 133 Cb 0.00 0.03 -0.03 0.00 -0.30 0.00 0.00 42.92 42.62 1q95 s ASP 133 CO 0.00 -0.04 0.08 -0.63 -0.17 0.00 0.00 175.17 174.40 1q95 s ILE 134 N -1.95 4.43 -0.14 4.11 1.09 -1.26 -0.10 121.20 127.38 1q95 s ILE 134 Ca 0.11 -0.13 -0.07 0.00 -1.10 0.00 0.00 60.65 59.45 1q95 s ILE 134 Cb -0.01 -3.07 -0.04 0.00 -1.06 0.00 0.00 42.46 38.28 1q95 s ILE 134 CO -0.03 0.35 0.13 0.00 -0.10 0.00 0.00 174.94 175.28 1q95 s ALA 135 N 1.47 3.79 -0.13 9.38 0.00 -0.28 -0.79 121.76 135.19 1q95 s ALA 135 Ca 0.06 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.36 1q95 s ALA 135 Cb -0.15 -1.98 0.02 0.00 0.00 0.00 0.00 23.12 21.01 1q95 s ALA 135 CO 0.04 0.50 -0.15 -0.51 0.00 0.00 0.00 175.76 175.64 1q95 s LEU 136 N -0.67 1.73 -0.20 0.00 1.43 0.28 -1.47 118.68 119.78 1q95 s LEU 136 Ca 0.13 -0.47 -0.10 0.00 -1.03 0.00 0.00 54.13 52.66 1q95 s LEU 136 Cb -0.12 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.89 1q95 s LEU 136 CO 0.02 -0.02 0.13 -0.75 0.23 0.00 0.00 176.35 175.96 1q95 s LYS 137 N 1.23 4.16 0.01 1.70 2.20 -0.71 -0.11 119.74 128.22 1q95 s LYS 137 Ca -0.01 -0.22 -0.29 0.00 -0.36 0.00 0.00 55.97 55.09 1q95 s LYS 137 Cb -0.14 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1q95 s LYS 137 CO -0.06 0.31 0.93 0.00 -0.36 0.00 0.00 175.35 176.17 1q95 h LYS 139 N 6.56 0.90 0.00 0.00 3.64 -1.77 -0.14 116.57 125.76 1q95 h LYS 139 Ca -0.41 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1q95 h LYS 139 Cb 1.21 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1q95 h LYS 139 CO 0.74 0.60 -0.28 1.88 -2.27 0.00 0.00 179.45 180.12 1q95 h TYR 140 N 0.93 0.00 -0.03 1.91 0.05 -1.92 -3.39 116.97 114.52 1q95 h TYR 140 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.27 1q95 h TYR 140 Cb 0.51 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.25 1q95 h TYR 140 CO -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.09 1q95 n GLU 142 N -0.29 -1.61 -3.87 0.00 1.02 -0.06 -4.96 120.64 110.86 1q95 n GLU 142 Ca 0.20 0.91 -0.35 0.00 -0.02 0.00 0.00 57.16 57.90 1q95 n GLU 142 Cb 0.24 -5.35 -0.05 0.00 -0.02 0.00 0.00 31.44 26.26 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 -4.09 3.46 -0.10 3.49 1.02 -1.26 -4.85 119.74 117.41 1q95 s LYS 143 Ca 0.00 -0.23 -0.00 0.00 0.02 0.00 0.00 55.97 55.76 1q95 s LYS 143 Cb 0.00 -3.12 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 1q95 s LYS 143 CO 0.00 0.70 -0.07 -2.00 -0.92 0.00 0.00 175.35 173.06 1q95 s GLU 144 N -1.65 3.11 0.28 1.68 2.12 -1.26 -1.86 118.70 121.13 1q95 s GLU 144 Ca 0.24 -0.57 0.07 0.00 0.36 0.00 0.00 54.97 55.07 1q95 s GLU 144 Cb -0.13 -2.68 -0.06 0.00 0.26 0.00 0.00 34.13 31.53 1q95 s GLU 144 CO 0.14 0.46 -0.06 -0.06 -0.54 0.00 0.00 175.26 175.20 1q95 s PHE 145 N -0.27 1.99 0.26 5.30 0.08 0.84 -4.89 117.98 121.28 1q95 s PHE 145 Ca 0.03 -0.68 -0.22 0.00 0.12 0.00 0.00 56.93 56.19 1q95 s PHE 145 Cb -0.13 -1.13 -0.09 0.00 -0.57 0.00 0.00 43.02 41.11 1q95 s PHE 145 CO 0.03 0.31 0.80 0.45 -0.10 0.00 0.00 175.22 176.71 1q95 s SER 146 N -3.46 7.15 0.54 1.36 0.15 -1.26 0.99 113.70 119.17 1q95 s SER 146 Ca 0.30 1.56 0.21 0.00 0.70 0.00 0.00 55.95 58.72 1q95 s SER 146 Cb 0.03 -2.48 1.39 0.00 -1.71 0.00 0.00 66.02 63.26 1q95 s SER 146 CO 0.12 -0.01 2.12 1.12 1.20 0.00 0.00 173.24 177.80 1q95 h HIS 147 N 3.31 0.00 -0.05 3.44 2.07 -1.32 -1.57 115.15 121.03 1q95 h HIS 147 Ca -0.47 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.06 1q95 h HIS 147 Cb 1.19 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.17 1q95 h HIS 147 CO 0.63 0.00 0.09 -0.91 -3.07 0.00 0.00 177.93 174.67 1q95 h ASN 148 N 0.00 0.00 0.05 3.10 -0.26 -1.92 -2.85 115.58 113.70 1q95 h ASN 148 Ca 0.06 0.00 -0.38 0.00 -0.56 0.00 0.00 56.30 55.42 1q95 h ASN 148 Cb 0.27 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.47 1q95 h ASN 148 CO -0.00 0.00 -2.30 1.33 -1.06 0.00 0.00 177.43 175.40 1q95 n VAL 149 N -3.49 1.60 -1.80 2.81 0.24 -0.60 -4.93 118.33 112.15 1q95 n VAL 149 Ca -0.02 -0.60 -0.42 0.00 -2.04 0.00 0.00 64.34 61.26 1q95 n VAL 149 Cb 0.18 -1.53 -0.03 0.00 -1.47 0.00 0.00 33.84 30.99 1q95 n VAL 149 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1q95 s VAL 150 N -2.53 2.53 0.00 3.34 1.01 -1.08 -4.90 120.40 118.77 1q95 s VAL 150 Ca -0.30 0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1q95 s VAL 150 Cb 0.08 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1q95 s VAL 150 CO 0.66 0.01 0.00 0.18 0.00 0.00 0.00 175.10 175.95 1q95 n LEU 151 N 4.98 0.00 0.00 3.92 4.77 -1.26 -4.96 117.00 124.46 1q95 n LEU 151 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1q95 n LEU 151 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1q95 n LEU 151 CO 0.64 -0.17 0.00 0.00 -1.33 0.00 0.00 177.39 176.53 1q95 n ALA 152 N -3.00 0.98 0.00 -1.18 0.00 -1.26 -1.95 120.51 114.10 1q95 n ALA 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q95 n ALA 152 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1q95 n ALA 152 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77