#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 2.23 -1.12 2.03 2.01 -1.26 -5.04 115.64 114.48 1q95 s THR 2 Ca 0.00 -1.11 -0.24 0.00 0.31 0.00 0.00 61.69 60.66 1q95 s THR 2 Cb 0.00 -1.81 -0.11 0.00 0.01 0.00 0.00 72.50 70.59 1q95 s THR 2 CO 0.00 0.54 1.99 -1.00 -0.69 0.00 0.00 174.62 175.46 1q95 s HIS 3 N -0.67 1.76 1.04 4.92 0.09 -1.26 -4.93 115.29 116.25 1q95 s HIS 3 Ca 0.11 0.91 -0.17 0.00 -0.00 0.00 0.00 55.06 55.90 1q95 s HIS 3 Cb -0.10 -3.85 0.03 0.00 -0.00 0.00 0.00 32.58 28.66 1q95 s HIS 3 CO -0.00 -1.16 -0.07 -3.47 -0.00 0.00 0.00 174.74 170.04 1q95 n ASP 4 N 15.57 -2.62 -3.32 1.40 2.03 -1.26 -4.94 116.55 123.40 1q95 n ASP 4 Ca 0.44 0.06 -0.32 0.00 0.52 0.00 0.00 54.79 55.49 1q95 n ASP 4 Cb 0.47 -0.98 -0.03 0.00 -0.72 0.00 0.00 41.12 39.85 1q95 n ASP 4 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1q95 n ASN 5 N -0.67 5.15 0.00 1.67 6.94 -1.26 -4.84 115.26 122.24 1q95 n ASN 5 Ca 0.02 -3.60 0.00 0.00 -0.02 0.00 0.00 54.58 50.98 1q95 n ASN 5 Cb 0.60 -0.80 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 1q95 n ASN 5 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1q95 n LYS 6 N 0.23 -0.09 -0.39 -3.83 3.00 -1.26 -4.76 118.16 111.06 1q95 n LYS 6 Ca 0.33 0.02 -0.30 0.00 -0.00 0.00 0.00 58.31 58.36 1q95 n LYS 6 Cb 0.36 -3.29 0.29 0.00 0.00 0.00 0.00 35.03 32.39 1q95 n LYS 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1q95 s LEU 7 N 0.00 -0.96 -0.39 3.14 1.43 -1.26 -4.93 118.68 115.71 1q95 s LEU 7 Ca 0.00 0.90 0.09 0.00 -1.03 0.00 0.00 54.13 54.09 1q95 s LEU 7 Cb 0.00 -2.36 0.28 0.00 0.03 0.00 0.00 46.19 44.14 1q95 s LEU 7 CO 0.00 -5.29 0.61 1.67 0.23 0.00 0.00 176.35 173.57 1q95 n GLN 8 N -5.59 0.81 -4.03 1.70 7.27 -1.26 -5.09 117.38 111.19 1q95 n GLN 8 Ca 0.12 -3.21 -0.08 0.00 0.07 0.00 0.00 57.00 53.89 1q95 n GLN 8 Cb 0.60 -1.38 -0.10 0.00 2.41 0.00 0.00 30.24 31.76 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 -1.53 0.17 0.41 1.69 1.01 -1.26 -4.90 120.40 115.99 1q95 s VAL 9 Ca 0.36 -1.37 0.08 0.00 0.00 0.00 0.00 61.98 61.05 1q95 s VAL 9 Cb 0.23 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 1q95 s VAL 9 CO -0.10 -0.76 0.33 -1.61 0.00 0.00 0.00 175.10 172.96 1q95 s GLU 10 N -2.82 2.47 0.10 2.72 2.02 -1.26 -5.10 118.70 116.84 1q95 s GLU 10 Ca -0.03 -1.59 -0.30 0.00 0.02 0.00 0.00 54.97 53.07 1q95 s GLU 10 Cb -0.00 -2.29 -0.06 0.00 0.10 0.00 0.00 34.13 31.87 1q95 s GLU 10 CO -0.06 -0.16 1.11 0.00 0.02 0.00 0.00 175.26 176.17 1q95 s ALA 11 N -2.49 3.34 0.13 5.21 0.00 -1.26 -5.05 121.76 121.64 1q95 s ALA 11 Ca 0.46 0.77 0.06 0.00 0.00 0.00 0.00 51.96 53.25 1q95 s ALA 11 Cb -0.02 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1q95 s ALA 11 CO 0.27 -0.28 0.01 -1.50 0.00 0.00 0.00 175.76 174.26 1q95 s ILE 12 N 0.43 3.96 -0.35 0.00 2.07 -1.26 -5.10 121.20 120.96 1q95 s ILE 12 Ca 0.53 -1.16 -0.09 0.00 -1.41 0.00 0.00 60.65 58.52 1q95 s ILE 12 Cb -0.28 -2.94 0.03 0.00 0.13 0.00 0.00 42.46 39.40 1q95 s ILE 12 CO 0.31 0.01 0.15 -0.75 -1.91 0.00 0.00 174.94 172.75 1q95 s LYS 13 N -2.63 2.82 0.31 3.50 2.20 -1.26 -4.10 119.74 120.57 1q95 s LYS 13 Ca 0.27 -1.06 0.00 0.00 -0.36 0.00 0.00 55.97 54.81 1q95 s LYS 13 Cb -0.11 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 1q95 s LYS 13 CO 0.19 -0.63 0.00 -2.13 -0.36 0.00 0.00 175.35 172.42 1q95 n ARG 14 N 4.91 -5.52 -2.19 4.03 0.63 -1.21 -4.54 116.66 112.76 1q95 n ARG 14 Ca -0.13 3.95 0.00 0.00 -0.92 0.00 0.00 57.85 60.75 1q95 n ARG 14 Cb 0.46 -4.30 0.00 0.00 0.45 0.00 0.00 32.46 29.07 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 1.19 -0.11 3.35 5.14 0.00 0.43 -1.77 105.19 113.41 1q95 n GLY 15 Ca 0.00 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 1q95 n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1q95 s THR 16 N -2.73 2.25 -0.16 2.61 -1.32 0.01 0.99 115.64 117.29 1q95 s THR 16 Ca 0.00 -1.19 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 1q95 s THR 16 Cb 0.00 -1.84 0.03 0.00 -1.51 0.00 0.00 72.50 69.18 1q95 s THR 16 CO 0.00 0.48 -0.09 -0.69 -2.21 0.00 0.00 174.62 172.11 1q95 s VAL 17 N -0.73 1.35 -0.29 5.08 1.01 0.30 -0.29 120.40 126.84 1q95 s VAL 17 Ca 0.11 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 1q95 s VAL 17 Cb -0.10 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1q95 s VAL 17 CO 0.01 0.26 0.30 -0.63 0.00 0.00 0.00 175.10 175.03 1q95 s ILE 18 N 1.55 5.23 0.36 2.22 1.01 0.57 -0.84 121.20 131.30 1q95 s ILE 18 Ca 0.02 0.30 0.09 0.00 0.00 0.00 0.00 60.65 61.06 1q95 s ILE 18 Cb -0.14 -3.66 -0.07 0.00 0.01 0.00 0.00 42.46 38.60 1q95 s ILE 18 CO -0.09 0.14 -0.07 -0.62 0.00 0.00 0.00 174.94 174.30 1q95 s ASP 19 N 1.70 3.76 -1.32 3.58 3.68 0.86 -1.72 116.67 127.23 1q95 s ASP 19 Ca 0.11 -1.23 -0.08 0.00 2.13 0.00 0.00 52.55 53.48 1q95 s ASP 19 Cb -0.16 -0.36 0.01 0.00 -1.45 0.00 0.00 42.92 40.96 1q95 s ASP 19 CO 0.11 -0.25 1.15 1.41 0.13 0.00 0.00 175.17 177.71 1q95 n HIS 20 N -0.83 -2.77 -2.97 -5.34 8.25 -1.25 -0.58 115.22 109.72 1q95 n HIS 20 Ca -0.05 0.99 -0.40 0.00 -0.26 0.00 0.00 57.72 58.00 1q95 n HIS 20 Cb 0.64 -4.99 -0.05 0.00 1.12 0.00 0.00 29.99 26.72 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 -3.32 4.90 0.35 1.59 1.01 -1.08 -3.80 121.20 120.86 1q95 s ILE 21 Ca 0.52 1.60 -0.28 0.00 0.00 0.00 0.00 60.65 62.48 1q95 s ILE 21 Cb -0.23 -4.11 -0.12 0.00 0.01 0.00 0.00 42.46 38.02 1q95 s ILE 21 CO 0.72 0.28 1.40 -2.65 0.00 0.00 0.00 174.94 174.69 1q95 n PRO 22 N 3.42 2.40 -1.68 2.79 -0.02 -1.26 -0.11 135.00 140.54 1q95 n PRO 22 Ca -0.01 0.84 -0.38 0.00 -2.02 0.00 0.00 63.50 61.93 1q95 n PRO 22 Cb 0.51 -2.51 0.05 0.00 -0.02 0.00 0.00 33.50 31.53 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 0.54 0.88 -0.59 3.55 0.00 -1.26 -1.31 120.51 122.32 1q95 n ALA 23 Ca 0.04 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1q95 n ALA 23 Cb 0.37 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1q95 n ALA 23 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1q95 n GLN 24 N -0.99 0.00 -0.04 0.00 -0.06 -1.26 -4.78 117.38 110.24 1q95 n GLN 24 Ca 0.12 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 55.11 1q95 n GLN 24 Cb 0.45 -2.44 -0.12 0.00 -4.06 0.00 0.00 30.24 24.07 1q95 n GLN 24 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 1q95 n ILE 25 N -2.00 0.58 -0.15 1.69 2.08 -0.42 -4.36 119.36 116.77 1q95 n ILE 25 Ca 0.00 -0.51 -0.03 0.00 0.56 0.00 0.00 62.75 62.77 1q95 n ILE 25 Cb 0.00 -0.29 0.06 0.00 -0.75 0.00 0.00 39.64 38.65 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 2.89 0.61 2.00 7.39 0.00 -1.86 -0.64 103.07 113.45 1q95 h GLY 26 Ca -0.23 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 1q95 h GLY 26 CO 0.01 -0.01 -0.31 -2.75 0.00 0.00 0.00 176.54 173.48 1q95 h PHE 27 N 0.30 0.00 -0.18 5.60 3.04 -1.93 -2.74 116.94 121.03 1q95 h PHE 27 Ca 0.23 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.11 1q95 h PHE 27 Cb 0.26 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.77 1q95 h PHE 27 CO -0.18 0.31 -0.16 -0.22 -2.02 0.00 0.00 178.31 176.04 1q95 h LYS 28 N 0.00 0.42 -0.67 1.11 3.64 -1.37 -2.74 116.57 116.96 1q95 h LYS 28 Ca -0.00 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 1q95 h LYS 28 Cb 0.63 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1q95 h LYS 28 CO 0.04 0.78 0.33 -0.07 -2.27 0.00 0.00 179.45 178.26 1q95 h LEU 29 N 0.08 0.85 -0.78 5.20 3.38 -1.07 -1.31 115.31 121.66 1q95 h LEU 29 Ca 0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1q95 h LEU 29 Cb 0.69 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1q95 h LEU 29 CO 0.04 0.72 0.44 -0.07 0.09 0.00 0.00 178.44 179.66 1q95 h LEU 30 N 0.95 0.96 0.51 1.67 3.38 -1.41 -2.50 115.31 118.87 1q95 h LEU 30 Ca 0.24 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1q95 h LEU 30 Cb 0.08 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.59 1q95 h LEU 30 CO -0.03 0.77 -0.25 0.28 0.09 0.00 0.00 178.44 179.30 1q95 h SER 31 N 1.08 -0.58 -0.76 -0.43 0.02 -1.11 -2.44 113.55 109.33 1q95 h SER 31 Ca 0.28 0.02 0.17 0.00 -0.84 0.00 0.00 61.79 61.42 1q95 h SER 31 Cb 0.01 0.15 -0.14 0.00 0.14 0.00 0.00 62.40 62.56 1q95 h SER 31 CO -0.05 -0.26 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.27 1q95 h LEU 32 N -0.99 -0.43 -2.48 5.07 3.38 -1.30 -2.05 115.31 116.52 1q95 h LEU 32 Ca -0.07 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1q95 h LEU 32 Cb 0.53 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1q95 h LEU 32 CO 0.12 -0.20 0.00 0.49 0.09 0.00 0.00 178.44 178.93 1q95 n PHE 33 N -5.39 0.90 -3.26 1.13 3.72 -0.94 -4.94 117.46 108.68 1q95 n PHE 33 Ca 0.13 -0.45 -0.21 0.00 -0.05 0.00 0.00 57.45 56.87 1q95 n PHE 33 Cb 0.47 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.00 1q95 n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1q95 n LYS 34 N 1.47 -3.00 0.31 -1.08 5.02 -0.77 -4.81 118.16 115.30 1q95 n LYS 34 Ca 0.22 0.41 0.20 0.00 -2.02 0.00 0.00 58.31 57.12 1q95 n LYS 34 Cb 0.57 -5.07 1.06 0.00 -0.02 0.00 0.00 35.03 31.57 1q95 n LYS 34 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1q95 h LEU 35 N -0.75 0.00 -0.05 -0.35 3.38 -1.76 -1.24 115.31 114.53 1q95 h LEU 35 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1q95 h LEU 35 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1q95 h LEU 35 CO 0.48 0.00 -0.74 0.35 0.09 0.00 0.00 178.44 178.62 1q95 n THR 36 N -2.92 0.00 -0.86 0.22 -2.24 -1.26 -4.45 114.28 102.78 1q95 n THR 36 Ca -0.03 -0.01 -0.19 0.00 -2.27 0.00 0.00 64.05 61.55 1q95 n THR 36 Cb 0.12 0.67 -0.07 0.00 -2.10 0.00 0.00 70.33 68.95 1q95 n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1q95 n GLU 37 N -1.42 2.13 -4.09 -0.78 1.02 -0.47 -4.75 120.64 112.27 1q95 n GLU 37 Ca 0.05 -1.26 -0.09 0.00 -0.02 0.00 0.00 57.16 55.84 1q95 n GLU 37 Cb 0.34 -2.24 -0.10 0.00 -0.02 0.00 0.00 31.44 29.42 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 2.25 0.14 -2.11 2.62 -1.32 -1.26 -5.04 115.64 110.91 1q95 s THR 38 Ca 0.51 -1.78 0.24 0.00 -1.21 0.00 0.00 61.69 59.44 1q95 s THR 38 Cb 0.18 -1.81 0.08 0.00 -1.51 0.00 0.00 72.50 69.45 1q95 s THR 38 CO -0.02 -0.64 1.22 0.47 -2.21 0.00 0.00 174.62 173.44 1q95 n ASP 39 N -0.04 1.94 -4.83 8.08 9.92 -1.26 -4.95 116.55 125.42 1q95 n ASP 39 Ca -0.09 -1.46 -0.33 0.00 -0.53 0.00 0.00 54.79 52.39 1q95 n ASP 39 Cb 0.63 0.35 -0.03 0.00 -0.64 0.00 0.00 41.12 41.42 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 -2.41 3.88 0.16 -1.24 -1.52 -1.26 -5.00 119.66 112.26 1q95 s GLN 40 Ca 0.21 1.07 -0.31 0.00 -1.95 0.00 0.00 55.36 54.38 1q95 s GLN 40 Cb 0.19 -2.12 -0.09 0.00 -0.22 0.00 0.00 33.01 30.76 1q95 s GLN 40 CO 0.52 -0.33 1.45 0.50 -0.25 0.00 0.00 175.29 177.18 1q95 s ARG 41 N -3.83 4.28 -0.03 2.91 3.52 -1.26 -4.86 118.95 119.68 1q95 s ARG 41 Ca 0.61 2.21 0.04 0.00 -0.13 0.00 0.00 55.73 58.45 1q95 s ARG 41 Cb -0.11 -3.19 -0.00 0.00 -1.56 0.00 0.00 34.95 30.08 1q95 s ARG 41 CO 0.28 -0.48 -0.15 0.42 -0.81 0.00 0.00 175.30 174.56 1q95 s ILE 42 N 0.88 1.22 -0.07 4.11 1.01 -1.26 -1.52 121.20 125.57 1q95 s ILE 42 Ca 0.65 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.75 1q95 s ILE 42 Cb -0.40 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 1q95 s ILE 42 CO 0.33 0.36 -0.24 -0.89 0.00 0.00 0.00 174.94 174.50 1q95 s THR 43 N 0.04 2.14 -0.02 2.92 2.01 -0.18 -4.98 115.64 117.56 1q95 s THR 43 Ca -0.02 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 60.98 1q95 s THR 43 Cb -0.10 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.62 1q95 s THR 43 CO 0.01 0.57 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.80 1q95 s ILE 44 N 0.01 0.67 -0.09 1.82 1.01 -1.26 -0.11 121.20 123.26 1q95 s ILE 44 Ca -0.09 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1q95 s ILE 44 Cb -0.15 -0.60 0.01 0.00 0.01 0.00 0.00 42.46 41.73 1q95 s ILE 44 CO 0.05 0.21 -0.15 -0.83 0.00 0.00 0.00 174.94 174.22 1q95 s GLY 45 N 0.17 0.99 -0.00 6.18 0.00 0.62 -4.99 107.32 110.29 1q95 s GLY 45 Ca -0.02 -0.64 0.08 0.00 0.00 0.00 0.00 44.72 44.14 1q95 s GLY 45 CO 0.00 0.10 -0.26 1.08 0.00 0.00 0.00 173.10 174.03 1q95 s LEU 46 N 0.76 2.08 -1.18 0.66 1.43 -1.26 0.08 118.68 121.24 1q95 s LEU 46 Ca -0.12 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.47 1q95 s LEU 46 Cb -0.16 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 1q95 s LEU 46 CO 0.02 0.30 0.92 0.59 0.23 0.00 0.00 176.35 178.41 1q95 n ASN 47 N 2.27 -3.01 -4.88 2.29 3.02 -1.14 -4.98 115.26 108.84 1q95 n ASN 47 Ca -0.16 -0.69 -0.32 0.00 -0.03 0.00 0.00 54.58 53.38 1q95 n ASN 47 Cb 0.51 -4.89 -0.05 0.00 -0.61 0.00 0.00 39.78 34.74 1q95 n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1q95 s LEU 48 N -6.21 4.20 0.24 3.41 1.43 0.52 -4.84 118.68 117.43 1q95 s LEU 48 Ca 0.12 0.79 -0.31 0.00 -1.03 0.00 0.00 54.13 53.69 1q95 s LEU 48 Cb -0.02 -3.54 -0.12 0.00 0.03 0.00 0.00 46.19 42.54 1q95 s LEU 48 CO 0.75 -0.04 1.61 -2.65 0.23 0.00 0.00 176.35 176.26 1q95 n PRO 49 N -0.11 2.58 -3.71 1.29 -0.02 -1.26 -1.70 135.00 132.07 1q95 n PRO 49 Ca -0.01 0.92 -0.26 0.00 -2.02 0.00 0.00 63.50 62.13 1q95 n PRO 49 Cb 0.52 -2.71 -0.17 0.00 -0.02 0.00 0.00 33.50 31.12 1q95 n PRO 49 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1q95 s SER 50 N 0.74 2.50 0.15 2.55 0.15 -0.58 -4.75 113.70 114.47 1q95 s SER 50 Ca 0.70 -0.62 -0.27 0.00 0.70 0.00 0.00 55.95 56.46 1q95 s SER 50 Cb -0.54 -0.48 -0.00 0.00 -1.71 0.00 0.00 66.02 63.29 1q95 s SER 50 CO 0.42 -0.29 1.57 1.23 1.20 0.00 0.00 173.24 177.37 1q95 h GLY 51 N 8.30 -0.58 0.81 9.45 0.00 -1.94 1.49 103.07 120.60 1q95 h GLY 51 Ca -0.16 0.57 -0.20 0.00 0.00 0.00 0.00 47.33 47.53 1q95 h GLY 51 CO 0.31 -0.17 -0.85 -2.09 0.00 0.00 0.00 176.54 173.74 1q95 h GLU 52 N -0.31 0.38 -0.00 4.80 4.81 -1.98 -3.34 114.58 118.93 1q95 h GLU 52 Ca 0.14 -0.56 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1q95 h GLU 52 Cb 0.58 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1q95 h GLU 52 CO -0.60 1.23 -0.38 -1.33 -0.73 0.00 0.00 179.01 177.21 1q95 n MET 53 N -4.09 0.19 0.00 1.92 2.81 -1.19 -4.93 117.12 111.82 1q95 n MET 53 Ca -0.13 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.66 1q95 n MET 53 Cb 0.82 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 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 1.46 1.79 3.10 3.03 0.00 0.51 -4.78 105.19 110.30 1q95 n GLY 54 Ca 0.07 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 0.45 0.22 1.61 0.52 -1.25 -1.53 118.95 118.97 1q95 s ARG 55 Ca 0.00 -0.35 -0.17 0.00 -0.52 0.00 0.00 55.73 54.69 1q95 s ARG 55 Cb 0.00 0.19 0.02 0.00 0.52 0.00 0.00 34.95 35.68 1q95 s ARG 55 CO 0.00 -0.11 0.55 -1.59 0.02 0.00 0.00 175.30 174.17 1q95 s LYS 56 N -1.25 1.49 0.23 3.54 -2.85 -0.69 -4.03 119.74 116.18 1q95 s LYS 56 Ca -0.13 -0.98 0.08 0.00 -1.00 0.00 0.00 55.97 53.94 1q95 s LYS 56 Cb -0.07 0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 36.19 1q95 s LYS 56 CO 0.01 -0.64 0.06 -0.51 0.10 0.00 0.00 175.35 174.37 1q95 s ASP 57 N -2.91 4.93 -0.01 0.03 -0.00 0.84 -0.36 116.67 119.19 1q95 s ASP 57 Ca 0.13 -0.43 -0.01 0.00 -0.00 0.00 0.00 52.55 52.24 1q95 s ASP 57 Cb -0.02 -1.08 0.00 0.00 -0.00 0.00 0.00 42.92 41.82 1q95 s ASP 57 CO 0.02 0.03 0.03 -0.22 -0.00 0.00 0.00 175.17 175.02 1q95 s LEU 58 N -3.44 1.85 -0.06 1.23 0.20 0.11 -2.63 118.68 115.94 1q95 s LEU 58 Ca 0.30 0.05 0.01 0.00 0.69 0.00 0.00 54.13 55.19 1q95 s LEU 58 Cb -0.08 0.08 0.02 0.00 -0.43 0.00 0.00 46.19 45.78 1q95 s LEU 58 CO 0.21 -0.02 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.54 1q95 s ILE 59 N 0.08 0.87 -0.18 6.68 1.01 -0.70 -0.28 121.20 128.69 1q95 s ILE 59 Ca -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.35 1q95 s ILE 59 Cb -0.01 -0.84 0.03 0.00 0.01 0.00 0.00 42.46 41.65 1q95 s ILE 59 CO -0.00 0.30 -0.13 -0.54 0.00 0.00 0.00 174.94 174.57 1q95 s LYS 60 N 0.91 2.26 -0.19 2.79 1.02 0.84 -0.31 119.74 127.06 1q95 s LYS 60 Ca -0.11 -0.74 -0.03 0.00 0.02 0.00 0.00 55.97 55.12 1q95 s LYS 60 Cb -0.15 -2.32 -0.01 0.00 -0.52 0.00 0.00 37.83 34.83 1q95 s LYS 60 CO 0.01 -0.33 -0.07 0.42 -0.92 0.00 0.00 175.35 174.46 1q95 s ILE 61 N 1.41 3.26 0.20 2.17 1.01 0.60 -1.01 121.20 128.84 1q95 s ILE 61 Ca 0.02 -0.55 -0.24 0.00 0.00 0.00 0.00 60.65 59.88 1q95 s ILE 61 Cb -0.15 -2.45 -0.08 0.00 0.01 0.00 0.00 42.46 39.79 1q95 s ILE 61 CO -0.10 0.46 0.79 -0.70 0.00 0.00 0.00 174.94 175.39 1q95 s GLU 62 N 1.10 4.52 -1.49 2.79 2.12 -0.57 -0.81 118.70 126.37 1q95 s GLU 62 Ca 0.01 1.13 -0.08 0.00 0.36 0.00 0.00 54.97 56.40 1q95 s GLU 62 Cb -0.15 -3.14 0.06 0.00 0.26 0.00 0.00 34.13 31.16 1q95 s GLU 62 CO -0.01 0.51 0.70 0.09 -0.54 0.00 0.00 175.26 176.00 1q95 n ASN 63 N 1.31 -2.30 -3.77 -1.70 3.02 -0.73 -4.61 115.26 106.48 1q95 n ASN 63 Ca -0.04 -0.91 -0.13 0.00 -0.03 0.00 0.00 54.58 53.47 1q95 n ASN 63 Cb 0.49 -3.40 -0.13 0.00 -0.61 0.00 0.00 39.78 36.13 1q95 n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1q95 s THR 64 N -3.59 -0.02 -0.19 3.41 2.01 -1.26 -5.00 115.64 111.01 1q95 s THR 64 Ca 0.34 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.40 1q95 s THR 64 Cb -0.18 -0.32 0.05 0.00 0.01 0.00 0.00 72.50 72.06 1q95 s THR 64 CO 0.87 0.03 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.44 1q95 s PHE 65 N 0.65 1.63 0.19 4.92 0.08 -1.26 -2.40 117.98 121.80 1q95 s PHE 65 Ca -0.04 -1.15 -0.30 0.00 0.12 0.00 0.00 56.93 55.55 1q95 s PHE 65 Cb -0.06 -1.27 -0.08 0.00 -0.57 0.00 0.00 43.02 41.03 1q95 s PHE 65 CO -0.04 -0.64 1.28 -0.51 -0.10 0.00 0.00 175.22 175.21 1q95 s LEU 66 N 1.65 4.42 0.89 -0.37 1.43 -1.26 -5.02 118.68 120.43 1q95 s LEU 66 Ca -0.01 2.35 -0.12 0.00 -1.03 0.00 0.00 54.13 55.32 1q95 s LEU 66 Cb -0.17 -3.61 0.12 0.00 0.03 0.00 0.00 46.19 42.57 1q95 s LEU 66 CO -0.07 -0.49 1.11 -0.94 0.23 0.00 0.00 176.35 176.19 1q95 s SER 67 N 0.30 3.69 0.24 2.29 1.04 -1.26 -4.76 113.70 115.24 1q95 s SER 67 Ca 0.56 1.15 -0.06 0.00 0.48 0.00 0.00 55.95 58.07 1q95 s SER 67 Cb -0.35 -1.80 0.26 0.00 0.10 0.00 0.00 66.02 64.23 1q95 s SER 67 CO 0.38 -2.46 1.90 -0.08 0.98 0.00 0.00 173.24 173.96 1q95 h GLU 68 N -1.43 1.19 -0.01 4.02 4.81 -1.99 0.16 114.58 121.33 1q95 h GLU 68 Ca -0.50 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 58.54 1q95 h GLU 68 Cb 1.31 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1q95 h GLU 68 CO 0.60 0.79 -0.54 -0.44 -0.73 0.00 0.00 179.01 178.69 1q95 h ASP 69 N 1.23 0.03 -0.29 1.04 3.32 -2.00 -2.51 116.42 117.24 1q95 h ASP 69 Ca 0.36 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.34 1q95 h ASP 69 Cb -0.07 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1q95 h ASP 69 CO -0.10 0.56 -0.02 1.56 -1.72 0.00 0.00 179.24 179.52 1q95 h GLN 70 N 0.02 0.52 -0.06 3.56 4.20 -1.56 -2.86 115.11 118.93 1q95 h GLN 70 Ca -0.00 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 1q95 h GLN 70 Cb 0.96 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1q95 h GLN 70 CO 0.07 0.69 -0.18 0.28 -0.67 0.00 0.00 178.83 179.03 1q95 h VAL 71 N 0.30 1.16 0.00 -0.54 2.07 -0.88 -2.10 116.25 116.26 1q95 h VAL 71 Ca 0.08 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 1q95 h VAL 71 Cb 0.47 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1q95 h VAL 71 CO 0.02 0.22 -0.39 0.44 0.02 0.00 0.00 177.57 177.88 1q95 h ASP 72 N 0.09 0.00 0.11 0.57 3.32 -1.34 -2.73 116.42 116.44 1q95 h ASP 72 Ca 0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1q95 h ASP 72 Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1q95 h ASP 72 CO 0.02 0.39 -0.10 1.56 -1.72 0.00 0.00 179.24 179.40 1q95 h GLN 73 N 0.00 0.00 0.00 3.56 1.08 -1.15 -1.43 115.11 117.17 1q95 h GLN 73 Ca -0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1q95 h GLN 73 Cb 1.01 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.43 1q95 h GLN 73 CO 0.05 0.10 -0.10 -0.07 -0.95 0.00 0.00 178.83 177.86 1q95 h LEU 74 N 0.00 0.00 -2.71 1.46 3.38 -1.50 -3.24 115.31 112.70 1q95 h LEU 74 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1q95 h LEU 74 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1q95 h LEU 74 CO 0.01 0.10 -0.00 0.00 0.09 0.00 0.00 178.44 178.64 1q95 h ALA 75 N 1.90 1.26 -0.08 1.53 0.00 -1.34 0.07 119.26 122.60 1q95 h ALA 75 Ca -0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1q95 h ALA 75 Cb 0.64 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1q95 h ALA 75 CO 0.01 0.00 -0.30 -0.07 0.00 0.00 0.00 179.25 178.89 1q95 h LEU 76 N 0.00 0.15 0.00 0.00 3.38 -1.74 -3.20 115.31 113.89 1q95 h LEU 76 Ca -0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1q95 h LEU 76 Cb 0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1q95 h LEU 76 CO 0.00 0.45 -1.16 -1.22 0.09 0.00 0.00 178.44 176.60 1q95 n TYR 77 N -4.14 0.00 -3.37 1.13 4.02 -1.03 -4.86 117.16 108.91 1q95 n TYR 77 Ca -0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.62 1q95 n TYR 77 Cb 0.38 -0.10 -0.09 0.00 -0.02 0.00 0.00 39.34 39.51 1q95 n TYR 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1q95 n ALA 78 N -1.81 2.95 -0.25 -0.72 0.00 -0.02 -4.78 120.51 115.88 1q95 n ALA 78 Ca -0.02 -3.68 -0.06 0.00 0.00 0.00 0.00 53.44 49.68 1q95 n ALA 78 Cb 0.29 -0.83 0.08 0.00 0.00 0.00 0.00 19.45 18.98 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 4.67 1.12 -0.14 0.00 0.11 -1.73 -2.71 132.00 133.32 1q95 h PRO 79 Ca 0.16 -0.24 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1q95 h PRO 79 Cb 0.84 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1q95 h PRO 79 CO 0.53 0.96 0.00 1.04 -0.21 0.00 0.00 178.00 180.32 1q95 n GLN 80 N -4.25 1.57 -0.98 1.05 1.13 -1.26 -4.42 117.38 110.22 1q95 n GLN 80 Ca 0.06 -0.86 -0.31 0.00 -1.94 0.00 0.00 57.00 53.95 1q95 n GLN 80 Cb 0.23 -1.36 0.13 0.00 0.11 0.00 0.00 30.24 29.36 1q95 n GLN 80 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1q95 s ALA 81 N -1.82 1.82 -0.04 -1.58 0.00 -1.02 -4.84 121.76 114.29 1q95 s ALA 81 Ca 0.30 0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.69 1q95 s ALA 81 Cb 0.16 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1q95 s ALA 81 CO 0.24 -2.29 -0.13 0.95 0.00 0.00 0.00 175.76 174.53 1q95 s THR 82 N -2.78 1.11 -0.26 0.00 -4.23 0.25 -4.19 115.64 105.54 1q95 s THR 82 Ca 0.64 -0.53 -0.01 0.00 -1.18 0.00 0.00 61.69 60.61 1q95 s THR 82 Cb -0.20 -0.97 0.04 0.00 1.34 0.00 0.00 72.50 72.71 1q95 s THR 82 CO 0.57 0.33 -0.05 -0.69 -0.54 0.00 0.00 174.62 174.24 1q95 s VAL 83 N 0.16 2.82 -0.13 2.29 1.01 0.67 -0.09 120.40 127.13 1q95 s VAL 83 Ca -0.04 -1.19 -0.04 0.00 0.00 0.00 0.00 61.98 60.71 1q95 s VAL 83 Cb -0.11 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1q95 s VAL 83 CO 0.01 0.10 0.02 0.20 0.00 0.00 0.00 175.10 175.43 1q95 s ASN 84 N 1.28 5.32 -0.11 3.32 0.02 -0.02 -2.07 114.94 122.68 1q95 s ASN 84 Ca -0.02 0.10 -0.14 0.00 -1.02 0.00 0.00 52.86 51.78 1q95 s ASN 84 Cb -0.18 -1.70 -0.05 0.00 0.02 0.00 0.00 41.25 39.35 1q95 s ASN 84 CO -0.04 0.29 0.32 -0.13 0.02 0.00 0.00 177.10 177.56 1q95 s ARG 85 N -0.34 4.09 -0.08 -0.60 0.52 0.98 -0.54 118.95 122.99 1q95 s ARG 85 Ca 0.07 0.18 0.02 0.00 -0.52 0.00 0.00 55.73 55.48 1q95 s ARG 85 Cb -0.12 -3.35 -0.02 0.00 0.52 0.00 0.00 34.95 31.97 1q95 s ARG 85 CO 0.02 0.40 -0.13 0.42 0.02 0.00 0.00 175.30 176.03 1q95 s ILE 86 N -0.04 3.15 -0.12 1.52 -1.09 0.28 -0.75 121.20 124.15 1q95 s ILE 86 Ca 0.19 -0.67 -0.04 0.00 -2.23 0.00 0.00 60.65 57.90 1q95 s ILE 86 Cb -0.14 -2.27 0.06 0.00 -1.58 0.00 0.00 42.46 38.53 1q95 s ILE 86 CO 0.07 0.57 0.24 -0.62 -1.23 0.00 0.00 174.94 173.96 1q95 s ASP 87 N -0.37 0.35 -1.08 3.58 -1.08 -0.26 -0.43 116.67 117.38 1q95 s ASP 87 Ca 0.04 0.53 -0.04 0.00 -0.52 0.00 0.00 52.55 52.56 1q95 s ASP 87 Cb -0.12 0.57 0.00 0.00 -1.46 0.00 0.00 42.92 41.91 1q95 s ASP 87 CO 0.02 -0.23 0.93 0.59 0.52 0.00 0.00 175.17 177.00 1q95 n ASN 88 N 5.19 -3.97 -1.58 -0.34 3.02 -1.26 -2.52 115.26 113.80 1q95 n ASN 88 Ca -0.09 -0.49 -0.20 0.00 -0.03 0.00 0.00 54.58 53.78 1q95 n ASN 88 Cb 0.50 -4.37 -0.08 0.00 -0.61 0.00 0.00 39.78 35.22 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 -4.16 -0.05 -4.33 3.10 4.02 -1.26 -4.98 117.16 109.51 1q95 n TYR 89 Ca -0.11 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.58 1q95 n TYR 89 Cb 0.59 -3.39 -0.13 0.00 -0.02 0.00 0.00 39.34 36.39 1q95 n TYR 89 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1q95 s GLU 90 N -3.77 0.89 -0.44 -0.72 0.41 -1.05 -4.91 118.70 109.11 1q95 s GLU 90 Ca 0.00 -0.74 -0.29 0.00 -0.41 0.00 0.00 54.97 53.54 1q95 s GLU 90 Cb 0.00 -0.88 0.01 0.00 -1.78 0.00 0.00 34.13 31.48 1q95 s GLU 90 CO 0.00 0.22 1.41 0.08 -0.49 0.00 0.00 175.26 176.47 1q95 s VAL 91 N -0.86 3.89 -0.16 2.63 1.01 -1.26 -1.10 120.40 124.55 1q95 s VAL 91 Ca 0.01 0.89 0.21 0.00 0.00 0.00 0.00 61.98 63.08 1q95 s VAL 91 Cb -0.08 -4.25 -0.12 0.00 0.00 0.00 0.00 36.38 31.93 1q95 s VAL 91 CO 0.01 -0.83 0.81 1.33 0.00 0.00 0.00 175.10 176.43 1q95 n VAL 92 N 7.05 0.69 -3.71 2.92 0.24 0.07 -4.96 118.33 120.63 1q95 n VAL 92 Ca 0.16 -0.60 -0.14 0.00 -2.04 0.00 0.00 64.34 61.73 1q95 n VAL 92 Cb 0.48 -0.39 -0.09 0.00 -1.47 0.00 0.00 33.84 32.38 1q95 n VAL 92 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1q95 s GLY 93 N -4.58 -0.30 0.41 7.63 0.00 -1.14 -4.98 107.32 104.36 1q95 s GLY 93 Ca -0.03 0.98 0.07 0.00 0.00 0.00 0.00 44.72 45.74 1q95 s GLY 93 CO 0.82 0.78 0.11 0.54 0.00 0.00 0.00 173.10 175.36 1q95 s LYS 94 N -0.37 2.13 0.00 2.90 -0.14 -1.26 -0.01 119.74 122.98 1q95 s LYS 94 Ca -0.05 -1.92 0.00 0.00 -1.36 0.00 0.00 55.97 52.64 1q95 s LYS 94 Cb -0.03 -1.87 0.00 0.00 -1.68 0.00 0.00 37.83 34.24 1q95 s LYS 94 CO 0.03 -0.07 0.00 -1.13 -0.76 0.00 0.00 175.35 173.41 1q95 n SER 95 N -1.13 0.00 -4.38 2.83 3.41 -0.88 -4.94 113.62 108.52 1q95 n SER 95 Ca -0.03 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.27 1q95 n SER 95 Cb 0.65 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.46 1q95 n SER 95 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1q95 s ARG 96 N -1.06 2.19 0.42 4.33 0.52 -1.26 -0.24 118.95 123.85 1q95 s ARG 96 Ca 0.00 -0.88 -0.25 0.00 -0.52 0.00 0.00 55.73 54.07 1q95 s ARG 96 Cb 0.00 -2.16 -0.10 0.00 0.52 0.00 0.00 34.95 33.21 1q95 s ARG 96 CO 0.00 0.57 1.21 -2.30 0.02 0.00 0.00 175.30 174.80 1q95 n PRO 97 N 2.21 1.78 -4.78 3.54 -0.02 -1.26 -4.96 135.00 131.52 1q95 n PRO 97 Ca -0.16 0.63 -0.25 0.00 -2.02 0.00 0.00 63.50 61.70 1q95 n PRO 97 Cb 0.52 -2.29 -0.16 0.00 -0.02 0.00 0.00 33.50 31.55 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 -0.58 1.97 0.05 2.55 0.15 -1.26 -4.86 113.70 111.71 1q95 s SER 98 Ca 0.61 -0.31 -0.35 0.00 0.70 0.00 0.00 55.95 56.60 1q95 s SER 98 Cb -0.52 -0.37 -0.14 0.00 -1.71 0.00 0.00 66.02 63.28 1q95 s SER 98 CO 0.58 0.17 1.62 0.18 1.20 0.00 0.00 173.24 176.99 1q95 n LEU 99 N 2.90 2.84 -4.75 3.45 4.77 -1.26 -4.43 117.00 120.52 1q95 n LEU 99 Ca -0.16 1.06 -0.30 0.00 -0.03 0.00 0.00 56.01 56.58 1q95 n LEU 99 Cb 0.54 -1.34 0.12 0.00 -2.33 0.00 0.00 43.42 40.40 1q95 n LEU 99 CO 0.24 -0.39 0.68 -2.84 -1.33 0.00 0.00 177.39 173.76 1q95 s PRO 100 N 1.81 1.57 0.04 3.23 0.02 -1.26 -4.96 135.00 135.45 1q95 s PRO 100 Ca 0.85 0.79 -0.02 0.00 0.02 0.00 0.00 61.00 62.63 1q95 s PRO 100 Cb -0.77 -1.85 -0.27 0.00 0.02 0.00 0.00 34.50 31.63 1q95 s PRO 100 CO 0.45 -2.02 0.99 0.93 -0.33 0.00 0.00 177.00 177.03 1q95 h GLU 101 N -1.38 0.23 -4.46 5.54 5.08 -1.93 -3.40 114.58 114.26 1q95 h GLU 101 Ca -0.48 -0.40 -0.18 0.00 -1.00 0.00 0.00 59.36 57.30 1q95 h GLU 101 Cb 1.28 0.15 -0.15 0.00 0.50 0.00 0.00 28.75 30.53 1q95 h GLU 101 CO 0.56 1.13 -0.68 1.03 -1.00 0.00 0.00 179.01 180.04 1q95 s ARG 102 N -2.64 0.76 -0.29 2.33 0.52 -1.26 -0.67 118.95 117.71 1q95 s ARG 102 Ca -0.06 -1.31 -0.03 0.00 -0.52 0.00 0.00 55.73 53.81 1q95 s ARG 102 Cb 0.07 0.01 0.10 0.00 0.52 0.00 0.00 34.95 35.65 1q95 s ARG 102 CO 0.86 -0.09 0.11 -1.50 0.02 0.00 0.00 175.30 174.71 1q95 s ILE 103 N -3.79 0.27 0.26 1.52 1.10 -0.47 -4.87 121.20 115.20 1q95 s ILE 103 Ca 0.12 -0.93 0.04 0.00 -0.51 0.00 0.00 60.65 59.36 1q95 s ILE 103 Cb 0.07 -1.19 -0.03 0.00 0.15 0.00 0.00 42.46 41.46 1q95 s ILE 103 CO -0.06 -0.67 0.39 -1.81 -2.11 0.00 0.00 174.94 170.68 1q95 s ASP 104 N 1.93 6.32 -1.10 4.50 1.11 -1.26 -2.35 116.67 125.82 1q95 s ASP 104 Ca 0.08 0.15 0.00 0.00 0.18 0.00 0.00 52.55 52.96 1q95 s ASP 104 Cb -0.16 -1.90 0.00 0.00 1.07 0.00 0.00 42.92 41.93 1q95 s ASP 104 CO -0.31 -0.11 0.00 0.59 1.18 0.00 0.00 175.17 176.53 1q95 n ASN 105 N -1.43 -3.33 0.00 0.27 3.02 -1.21 -4.72 115.26 107.86 1q95 n ASN 105 Ca -0.08 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1q95 n ASN 105 Cb 0.57 -3.00 0.00 0.00 -0.61 0.00 0.00 39.78 36.73 1q95 n ASN 105 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1q95 n VAL 106 N -2.51 0.00 -4.61 2.41 0.24 -1.26 -5.00 118.33 107.60 1q95 n VAL 106 Ca -0.12 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.90 1q95 n VAL 106 Cb 0.48 1.38 -0.09 0.00 -1.47 0.00 0.00 33.84 34.14 1q95 n VAL 106 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1q95 s LEU 107 N 0.00 2.43 -0.05 1.34 1.43 -1.26 -4.62 118.68 117.95 1q95 s LEU 107 Ca 0.00 -1.50 -0.03 0.00 -1.03 0.00 0.00 54.13 51.57 1q95 s LEU 107 Cb 0.00 -0.63 0.03 0.00 0.03 0.00 0.00 46.19 45.62 1q95 s LEU 107 CO 0.00 -0.68 0.11 0.54 0.23 0.00 0.00 176.35 176.55 1q95 s VAL 108 N -2.95 -0.03 0.18 -1.59 0.11 -1.23 -4.67 120.40 110.21 1q95 s VAL 108 Ca 0.25 0.12 -0.33 0.00 -2.93 0.00 0.00 61.98 59.09 1q95 s VAL 108 Cb 0.06 -0.18 -0.15 0.00 -1.53 0.00 0.00 36.38 34.59 1q95 s VAL 108 CO 0.12 0.05 1.39 0.00 -3.33 0.00 0.00 175.10 173.33 1q95 h PRO 110 N 4.55 0.61 -6.12 0.00 0.11 -1.94 -3.43 132.00 125.78 1q95 h PRO 110 Ca -0.45 -0.17 -0.71 0.00 0.11 0.00 0.00 66.00 64.78 1q95 h PRO 110 Cb 1.30 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.34 1q95 h PRO 110 CO 0.78 0.68 1.04 -1.71 -0.21 0.00 0.00 178.00 178.59 1q95 n ASN 111 N -4.55 2.41 0.00 -2.05 5.15 -1.26 -4.83 115.26 110.13 1q95 n ASN 111 Ca -0.01 0.92 0.12 0.00 -0.60 0.00 0.00 54.58 55.01 1q95 n ASN 111 Cb 0.23 -1.18 0.57 0.00 -0.53 0.00 0.00 39.78 38.87 1q95 n ASN 111 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1q95 n SER 112 N 6.48 0.00 -1.45 1.20 3.41 -1.26 -3.17 113.62 118.83 1q95 n SER 112 Ca 0.30 0.18 -0.05 0.00 -0.26 0.00 0.00 58.87 59.04 1q95 n SER 112 Cb 0.16 -0.38 0.23 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.38 3.50 -4.52 4.04 4.05 -1.26 -4.96 115.26 114.73 1q95 n ASN 113 Ca 0.09 -3.46 -0.37 0.00 0.45 0.00 0.00 54.58 51.28 1q95 n ASN 113 Cb 0.23 -0.67 -0.12 0.00 1.23 0.00 0.00 39.78 40.45 1q95 n ASN 113 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1q95 n ILE 115 N 5.00 -0.27 -0.26 0.00 -0.00 -1.26 -1.32 119.36 121.25 1q95 n ILE 115 Ca -0.15 1.39 0.25 0.00 -0.00 0.00 0.00 62.75 64.24 1q95 n ILE 115 Cb 0.51 -2.05 0.45 0.00 -0.00 0.00 0.00 39.64 38.55 1q95 n ILE 115 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1q95 n SER 116 N -4.80 0.22 0.00 4.38 3.41 -1.26 -2.68 113.62 112.90 1q95 n SER 116 Ca 0.16 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.91 1q95 n SER 116 Cb 0.52 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1q95 n SER 116 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1q95 n HIS 117 N -4.49 0.00 -1.63 7.33 8.25 -0.43 -3.43 115.22 120.82 1q95 n HIS 117 Ca 0.28 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.41 1q95 n HIS 117 Cb 0.99 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.63 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 -2.37 6.39 -2.69 -1.41 0.00 -1.09 -4.95 120.51 114.39 1q95 n ALA 118 Ca 0.00 -3.47 -0.09 0.00 0.00 0.00 0.00 53.44 49.89 1q95 n ALA 118 Cb 0.00 -2.00 -0.10 0.00 0.00 0.00 0.00 19.45 17.35 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 -2.94 0.47 -0.29 0.00 0.41 -1.22 -5.04 118.70 110.09 1q95 s GLU 119 Ca 0.55 -0.80 -0.03 0.00 -0.41 0.00 0.00 54.97 54.28 1q95 s GLU 119 Cb 0.41 0.17 -0.08 0.00 -1.78 0.00 0.00 34.13 32.85 1q95 s GLU 119 CO -0.28 -0.10 1.82 -2.30 -0.49 0.00 0.00 175.26 173.91 1q95 n PRO 120 N 0.98 1.14 -3.83 0.39 -0.02 -1.26 -4.78 135.00 127.61 1q95 n PRO 120 Ca -0.20 -0.75 -0.12 0.00 -2.02 0.00 0.00 63.50 60.41 1q95 n PRO 120 Cb 0.58 -1.97 -0.11 0.00 -0.02 0.00 0.00 33.50 31.97 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 2.86 0.03 0.35 -1.45 -7.23 -1.26 -5.15 120.40 108.55 1q95 s VAL 121 Ca 0.29 -0.29 -0.19 0.00 -1.81 0.00 0.00 61.98 59.98 1q95 s VAL 121 Cb 0.11 -0.33 -0.10 0.00 0.56 0.00 0.00 36.38 36.62 1q95 s VAL 121 CO -0.01 -0.16 0.84 -0.44 -0.31 0.00 0.00 175.10 175.03 1q95 s SER 122 N -0.53 6.95 1.17 4.85 0.01 -1.26 -4.96 113.70 119.93 1q95 s SER 122 Ca -0.06 1.53 -0.18 0.00 1.31 0.00 0.00 55.95 58.55 1q95 s SER 122 Cb -0.04 -2.47 0.27 0.00 0.21 0.00 0.00 66.02 63.99 1q95 s SER 122 CO 0.01 -0.22 1.12 -0.94 0.41 0.00 0.00 173.24 173.62 1q95 s SER 123 N -2.07 1.22 -0.30 2.44 1.04 -1.26 -4.90 113.70 109.87 1q95 s SER 123 Ca 0.55 0.68 -0.22 0.00 0.48 0.00 0.00 55.95 57.44 1q95 s SER 123 Cb -0.12 -0.96 0.18 0.00 0.10 0.00 0.00 66.02 65.23 1q95 s SER 123 CO 0.17 -3.94 1.30 -0.55 0.98 0.00 0.00 173.24 171.20 1q95 s SER 124 N -3.89 -0.14 0.02 7.02 0.15 -1.26 -3.29 113.70 112.31 1q95 s SER 124 Ca 0.70 0.26 0.01 0.00 0.70 0.00 0.00 55.95 57.62 1q95 s SER 124 Cb -0.10 0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1q95 s SER 124 CO 0.56 -0.04 -0.05 -0.36 1.20 0.00 0.00 173.24 174.55 1q95 s PHE 125 N 0.45 0.42 -0.14 3.44 0.40 -0.99 -1.21 117.98 120.34 1q95 s PHE 125 Ca 0.01 -0.31 -0.21 0.00 -0.60 0.00 0.00 56.93 55.83 1q95 s PHE 125 Cb -0.04 -0.26 -0.03 0.00 0.51 0.00 0.00 43.02 43.19 1q95 s PHE 125 CO -0.13 -0.07 0.60 0.00 0.70 0.00 0.00 175.22 176.33 1q95 s ALA 126 N -0.81 3.47 -0.26 5.36 0.00 0.82 -1.37 121.76 128.97 1q95 s ALA 126 Ca -0.06 -0.14 -0.18 0.00 0.00 0.00 0.00 51.96 51.58 1q95 s ALA 126 Cb -0.06 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 1q95 s ALA 126 CO -0.00 -0.27 0.51 0.08 0.00 0.00 0.00 175.76 176.08 1q95 s VAL 127 N 1.24 5.07 0.02 0.00 1.01 0.16 -1.74 120.40 126.16 1q95 s VAL 127 Ca 0.30 0.88 0.08 0.00 0.00 0.00 0.00 61.98 63.24 1q95 s VAL 127 Cb -0.16 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1q95 s VAL 127 CO 0.12 0.09 -0.24 -0.60 0.00 0.00 0.00 175.10 174.48 1q95 s ARG 128 N 2.27 1.99 -0.13 2.72 3.52 0.64 -4.80 118.95 125.16 1q95 s ARG 128 Ca 0.21 -1.00 -0.15 0.00 -0.13 0.00 0.00 55.73 54.66 1q95 s ARG 128 Cb -0.16 -2.06 -0.05 0.00 -1.56 0.00 0.00 34.95 31.13 1q95 s ARG 128 CO 0.09 0.54 0.35 0.21 -0.81 0.00 0.00 175.30 175.68 1q95 s LYS 129 N -1.04 4.21 0.06 5.12 2.47 -1.26 -0.58 119.74 128.72 1q95 s LYS 129 Ca 0.12 0.21 0.01 0.00 -1.56 0.00 0.00 55.97 54.75 1q95 s LYS 129 Cb -0.10 -3.40 -0.03 0.00 -1.46 0.00 0.00 37.83 32.84 1q95 s LYS 129 CO 0.01 0.29 -0.05 1.03 0.16 0.00 0.00 175.35 176.79 1q95 s ARG 130 N 0.29 0.62 0.00 4.03 0.52 -0.20 -4.91 118.95 119.30 1q95 s ARG 130 Ca 0.20 -1.04 0.00 0.00 -0.52 0.00 0.00 55.73 54.37 1q95 s ARG 130 Cb -0.14 -0.08 0.00 0.00 0.52 0.00 0.00 34.95 35.25 1q95 s ARG 130 CO 0.06 -0.03 0.90 0.00 0.02 0.00 0.00 175.30 176.26 1q95 n ALA 131 N 0.65 -0.14 -0.31 2.13 0.00 -1.26 -2.70 120.51 118.89 1q95 n ALA 131 Ca -0.17 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.35 1q95 n ALA 131 Cb 0.58 0.30 0.24 0.00 0.00 0.00 0.00 19.45 20.57 1q95 n ALA 131 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1q95 h ASN 132 N 0.00 0.60 0.00 0.00 -1.24 -2.03 -3.47 115.58 109.44 1q95 h ASN 132 Ca 0.00 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.10 1q95 h ASN 132 Cb 0.00 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.04 1q95 h ASN 132 CO 0.00 0.25 0.00 -0.90 -1.29 0.00 0.00 177.43 175.49 1q95 n ASP 133 N -4.83 0.00 -4.49 1.15 3.85 -1.10 -5.16 116.55 105.97 1q95 n ASP 133 Ca 0.18 0.00 -0.34 0.00 -0.71 0.00 0.00 54.79 53.93 1q95 n ASP 133 Cb 0.45 0.00 -0.12 0.00 -1.35 0.00 0.00 41.12 40.10 1q95 n ASP 133 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1q95 s ILE 134 N -2.12 3.83 0.03 2.12 1.01 -1.26 -1.03 121.20 123.77 1q95 s ILE 134 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 1q95 s ILE 134 Cb 0.00 -2.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 1q95 s ILE 134 CO 0.00 0.50 0.37 0.00 0.00 0.00 0.00 174.94 175.81 1q95 s ALA 135 N 0.34 3.74 -0.10 9.38 0.00 0.25 -1.78 121.76 133.59 1q95 s ALA 135 Ca -0.05 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1q95 s ALA 135 Cb -0.14 -2.27 0.02 0.00 0.00 0.00 0.00 23.12 20.72 1q95 s ALA 135 CO 0.03 0.54 -0.11 -0.51 0.00 0.00 0.00 175.76 175.72 1q95 s LEU 136 N -1.50 1.45 -0.19 0.00 1.43 0.16 -0.26 118.68 119.77 1q95 s LEU 136 Ca 0.27 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.97 1q95 s LEU 136 Cb -0.15 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 45.14 1q95 s LEU 136 CO 0.15 -0.05 0.06 -0.75 0.23 0.00 0.00 176.35 175.99 1q95 s LYS 137 N 1.25 3.90 -0.05 1.70 2.20 -0.71 -0.31 119.74 127.71 1q95 s LYS 137 Ca -0.03 -0.38 -0.30 0.00 -0.36 0.00 0.00 55.97 54.90 1q95 s LYS 137 Cb -0.14 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 32.94 1q95 s LYS 137 CO -0.04 0.20 1.19 0.00 -0.36 0.00 0.00 175.35 176.34 1q95 h LYS 139 N 7.41 0.00 0.00 0.00 3.64 -1.53 -0.49 116.57 125.59 1q95 h LYS 139 Ca -0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1q95 h LYS 139 Cb 1.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1q95 h LYS 139 CO 0.88 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 178.72 1q95 n TYR 140 N -3.24 0.00 0.26 1.91 4.01 -1.26 -4.72 117.16 114.12 1q95 n TYR 140 Ca 0.03 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.92 1q95 n TYR 140 Cb 0.57 0.00 0.66 0.00 -0.31 0.00 0.00 39.34 40.26 1q95 n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1q95 n GLU 142 N -3.30 -0.91 -2.82 0.00 1.02 -0.19 -4.98 120.64 109.45 1q95 n GLU 142 Ca -0.00 0.23 -0.37 0.00 -0.02 0.00 0.00 57.16 56.99 1q95 n GLU 142 Cb 0.31 -3.91 -0.06 0.00 -0.02 0.00 0.00 31.44 27.76 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 -0.91 4.56 -0.18 3.49 1.02 -1.26 -4.70 119.74 121.75 1q95 s LYS 143 Ca 0.00 1.28 -0.08 0.00 0.02 0.00 0.00 55.97 57.19 1q95 s LYS 143 Cb 0.00 -2.84 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 1q95 s LYS 143 CO 0.00 0.31 0.09 -2.00 -0.92 0.00 0.00 175.35 172.83 1q95 s GLU 144 N -1.98 4.00 0.18 1.68 2.12 -1.26 -2.60 118.70 120.84 1q95 s GLU 144 Ca 0.49 -0.29 0.07 0.00 0.36 0.00 0.00 54.97 55.60 1q95 s GLU 144 Cb -0.19 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1q95 s GLU 144 CO 0.24 0.32 -0.15 -0.06 -0.54 0.00 0.00 175.26 175.07 1q95 s PHE 145 N 0.26 1.65 0.17 5.30 0.08 0.58 -4.89 117.98 121.13 1q95 s PHE 145 Ca 0.06 -0.56 -0.25 0.00 0.12 0.00 0.00 56.93 56.29 1q95 s PHE 145 Cb -0.12 -0.80 -0.08 0.00 -0.57 0.00 0.00 43.02 41.45 1q95 s PHE 145 CO -0.00 0.30 0.78 -1.54 -0.10 0.00 0.00 175.22 174.65 1q95 s SER 146 N -3.01 7.40 0.13 1.36 1.04 -1.26 0.40 113.70 119.76 1q95 s SER 146 Ca 0.18 1.65 0.07 0.00 0.48 0.00 0.00 55.95 58.33 1q95 s SER 146 Cb -0.02 -2.50 0.35 0.00 0.10 0.00 0.00 66.02 63.95 1q95 s SER 146 CO 0.06 0.20 1.09 0.00 0.98 0.00 0.00 173.24 175.57 1q95 n HIS 147 N 1.63 0.22 0.08 5.02 1.44 -0.74 -1.38 115.22 121.50 1q95 n HIS 147 Ca -0.05 0.12 -0.09 0.00 -2.01 0.00 0.00 57.72 55.68 1q95 n HIS 147 Cb 0.49 -0.55 -0.02 0.00 0.12 0.00 0.00 29.99 30.03 1q95 n HIS 147 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 1q95 h ASN 148 N 0.00 0.26 0.27 4.39 2.35 -1.91 -3.25 115.58 117.69 1q95 h ASN 148 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1q95 h ASN 148 Cb 0.32 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1q95 h ASN 148 CO 0.00 1.03 -0.83 1.33 -1.65 0.00 0.00 177.43 177.31 1q95 n VAL 149 N -3.65 0.03 -2.15 2.81 0.24 -0.48 -4.64 118.33 110.49 1q95 n VAL 149 Ca -0.04 -0.05 -0.43 0.00 -2.04 0.00 0.00 64.34 61.79 1q95 n VAL 149 Cb 0.82 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.74 1q95 n VAL 149 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1q95 n VAL 150 N -1.59 3.73 -0.58 3.34 0.31 -1.16 -4.87 118.33 117.51 1q95 n VAL 150 Ca 0.04 -3.59 -0.30 0.00 -0.01 0.00 0.00 64.34 60.48 1q95 n VAL 150 Cb 0.35 -2.49 0.21 0.00 -0.91 0.00 0.00 33.84 31.01 1q95 n VAL 150 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1q95 s LEU 151 N 2.84 1.90 0.00 7.52 1.43 -1.26 -4.80 118.68 126.30 1q95 s LEU 151 Ca 0.49 1.92 0.27 0.00 -1.03 0.00 0.00 54.13 55.78 1q95 s LEU 151 Cb 0.09 -4.06 0.98 0.00 0.03 0.00 0.00 46.19 43.23 1q95 s LEU 151 CO -0.01 -3.69 1.70 0.00 0.23 0.00 0.00 176.35 174.58 1q95 n ALA 152 N -4.60 2.56 -1.26 4.21 0.00 -1.26 -3.51 120.51 116.65 1q95 n ALA 152 Ca 0.08 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1q95 n ALA 152 Cb 0.53 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1q95 n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79