#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 s SER 2 N 0.00 5.80 0.12 8.00 1.04 -1.26 -5.01 113.70 122.40 1q81 s SER 2 Ca 0.00 0.52 -0.20 0.00 0.48 0.00 0.00 55.95 56.76 1q81 s SER 2 Cb 0.00 -1.69 -0.07 0.00 0.10 0.00 0.00 66.02 64.36 1q81 s SER 2 CO 0.00 -0.82 1.77 0.50 0.98 0.00 0.00 173.24 175.67 1q81 h LYS 3 N 0.17 0.23 -0.37 4.02 3.64 -2.07 -2.53 116.57 119.66 1q81 h LYS 3 Ca -0.46 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.97 1q81 h LYS 3 Cb 1.25 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 1q81 h LYS 3 CO 0.59 0.15 0.04 0.87 -2.27 0.00 0.00 179.45 178.84 1q81 h LYS 4 N 0.24 0.15 -1.06 1.90 1.57 -2.02 -1.77 116.57 115.59 1q81 h LYS 4 Ca 0.07 -0.01 0.29 0.00 -1.87 0.00 0.00 60.65 59.14 1q81 h LYS 4 Cb -0.01 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.20 1q81 h LYS 4 CO -0.03 0.10 0.74 -0.22 -0.57 0.00 0.00 179.45 179.47 1q81 h LYS 5 N 0.16 0.14 -0.01 3.15 1.63 -1.85 -0.88 116.57 118.92 1q81 h LYS 5 Ca 0.18 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1q81 h LYS 5 Cb 0.23 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1q81 h LYS 5 CO -0.26 0.09 -0.06 0.54 -3.45 0.00 0.00 179.45 176.31 1q81 n ARG 6 N -4.36 1.25 0.22 1.90 1.74 -0.67 -4.23 116.66 112.52 1q81 n ARG 6 Ca 0.24 -0.60 0.10 0.00 -0.77 0.00 0.00 57.85 56.82 1q81 n ARG 6 Cb 1.04 -1.49 0.47 0.00 -1.02 0.00 0.00 32.46 31.46 1q81 n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1q81 h GLN 7 N 1.47 0.00 -6.01 5.56 1.08 -1.19 -3.44 115.11 112.59 1q81 h GLN 7 Ca 0.00 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.61 1q81 h GLN 7 Cb 0.39 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1q81 h GLN 7 CO 0.00 0.22 1.47 0.54 -0.95 0.00 0.00 178.83 180.11 1q81 n ARG 8 N -3.40 1.94 0.00 1.46 5.12 -1.26 -1.53 116.66 119.00 1q81 n ARG 8 Ca 0.00 0.55 0.00 0.00 -1.93 0.00 0.00 57.85 56.47 1q81 n ARG 8 Cb 0.42 -3.16 0.00 0.00 -1.16 0.00 0.00 32.46 28.56 1q81 n ARG 8 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1q81 n GLY 9 N 5.75 1.06 0.07 -0.13 0.00 -1.26 -4.93 105.19 105.76 1q81 n GLY 9 Ca 0.30 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.42 1q81 n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q81 n SER 10 N 0.00 0.38 0.00 1.61 3.41 -0.58 -4.90 113.62 113.54 1q81 n SER 10 Ca 0.00 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1q81 n SER 10 Cb 0.00 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1q81 n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1q81 n ARG 11 N -1.92 0.00 0.12 4.33 0.63 -1.26 -4.17 116.66 114.39 1q81 n ARG 11 Ca 0.03 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.06 1q81 n ARG 11 Cb 0.20 0.00 0.48 0.00 0.45 0.00 0.00 32.46 33.59 1q81 n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1q81 n THR 12 N 0.00 0.93 -3.41 5.15 -2.24 -1.26 -4.91 114.28 108.53 1q81 n THR 12 Ca 0.00 0.35 -0.25 0.00 -2.27 0.00 0.00 64.05 61.88 1q81 n THR 12 Cb 0.00 -1.28 0.04 0.00 -2.10 0.00 0.00 70.33 66.99 1q81 n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1q81 n HIS 13 N -2.15 -2.24 -1.58 4.78 8.25 -1.26 -2.65 115.22 118.37 1q81 n HIS 13 Ca 0.01 0.72 -0.06 0.00 -0.26 0.00 0.00 57.72 58.13 1q81 n HIS 13 Cb 0.18 -4.26 -0.02 0.00 1.12 0.00 0.00 29.99 27.01 1q81 n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1q81 n GLY 14 N -1.62 0.54 0.66 -1.41 0.00 -1.26 -4.91 105.19 97.18 1q81 n GLY 14 Ca -0.03 -0.72 0.08 0.00 0.00 0.00 0.00 46.02 45.35 1q81 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q81 n GLY 15 N -1.71 0.56 7.00 -0.02 0.00 -1.09 -5.08 105.19 104.85 1q81 n GLY 15 Ca -0.07 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1q81 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q81 n GLY 16 N 0.87 -0.28 3.44 -0.02 0.00 -1.26 -4.79 105.19 103.15 1q81 n GLY 16 Ca 0.10 -1.08 -0.49 0.00 0.00 0.00 0.00 46.02 44.55 1q81 n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q81 n SER 17 N 1.27 -0.76 0.00 1.61 2.88 -1.26 -4.76 113.62 112.60 1q81 n SER 17 Ca 0.00 1.14 0.07 0.00 -1.33 0.00 0.00 58.87 58.75 1q81 n SER 17 Cb 0.00 -0.99 0.40 0.00 -0.75 0.00 0.00 64.21 62.87 1q81 n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q81 n HIS 18 N 0.28 0.00 0.20 0.66 -0.00 -1.26 -1.54 115.22 113.56 1q81 n HIS 18 Ca 0.17 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.97 1q81 n HIS 18 Cb 0.23 -0.05 0.24 0.00 -0.00 0.00 0.00 29.99 30.41 1q81 n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1q81 n LYS 19 N -1.05 2.53 0.00 -1.40 5.02 -1.26 -4.66 118.16 117.34 1q81 n LYS 19 Ca 0.10 -1.94 0.00 0.00 -2.02 0.00 0.00 58.31 54.44 1q81 n LYS 19 Cb 0.06 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1q81 n LYS 19 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1q81 n ASN 20 N 0.90 0.00 -3.36 4.39 3.02 -0.59 -4.74 115.26 114.88 1q81 n ASN 20 Ca 0.18 0.13 -0.30 0.00 -0.03 0.00 0.00 54.58 54.56 1q81 n ASN 20 Cb 0.54 -0.44 -0.06 0.00 -0.61 0.00 0.00 39.78 39.21 1q81 n ASN 20 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1q81 n ARG 21 N -2.21 0.62 0.00 3.52 1.74 -1.26 -4.65 116.66 114.42 1q81 n ARG 21 Ca 0.00 -1.13 0.00 0.00 -0.77 0.00 0.00 57.85 55.95 1q81 n ARG 21 Cb 0.00 -2.46 0.00 0.00 -1.02 0.00 0.00 32.46 28.98 1q81 n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1q81 n ARG 22 N 6.51 0.00 0.00 5.56 1.74 -1.26 -5.13 116.66 124.09 1q81 n ARG 22 Ca 0.36 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1q81 n ARG 22 Cb 0.27 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.71 1q81 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q81 n GLY 23 N 4.65 3.51 0.07 -0.13 0.00 -1.26 -4.97 105.19 107.05 1q81 n GLY 23 Ca 0.00 -1.96 0.09 0.00 0.00 0.00 0.00 46.02 44.15 1q81 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q81 n ALA 24 N -3.00 1.65 0.22 4.61 0.00 -1.26 -2.07 120.51 120.66 1q81 n ALA 24 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.53 1q81 n ALA 24 Cb 0.00 -1.31 0.51 0.00 0.00 0.00 0.00 19.45 18.64 1q81 n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1q81 h GLY 25 N 2.32 0.00 1.82 0.00 0.00 -1.94 0.26 103.07 105.53 1q81 h GLY 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1q81 h GLY 25 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.54 178.11 1q81 n HIS 26 N -3.86 0.00 0.42 5.60 -0.00 -0.88 -2.25 115.22 114.25 1q81 n HIS 26 Ca -0.02 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.75 1q81 n HIS 26 Cb 0.34 -0.41 0.03 0.00 -0.00 0.00 0.00 29.99 29.95 1q81 n HIS 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1q81 n ARG 27 N -1.41 0.81 -1.82 1.57 1.74 0.82 -4.98 116.66 113.39 1q81 n ARG 27 Ca 0.07 -0.98 -0.07 0.00 -0.77 0.00 0.00 57.85 56.10 1q81 n ARG 27 Cb 0.21 -1.16 -0.01 0.00 -1.02 0.00 0.00 32.46 30.48 1q81 n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q81 n GLY 28 N 0.64 0.36 0.00 -0.13 0.00 -0.63 -4.85 105.19 100.58 1q81 n GLY 28 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1q81 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q81 n GLY 29 N -1.39 3.27 3.74 -0.02 0.00 -0.62 -4.62 105.19 105.56 1q81 n GLY 29 Ca -0.08 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 1q81 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q81 s ARG 30 N -3.19 4.68 6.24 1.61 6.06 -1.26 -4.74 118.95 128.35 1q81 s ARG 30 Ca 0.00 1.37 0.00 0.00 -2.50 0.00 0.00 55.73 54.60 1q81 s ARG 30 Cb 0.00 -3.35 0.00 0.00 0.06 0.00 0.00 34.95 31.66 1q81 s ARG 30 CO 0.00 0.31 0.00 0.41 -2.50 0.00 0.00 175.30 173.52 1q81 n GLY 31 N 2.08 2.93 0.90 8.12 0.00 -1.26 -2.60 105.19 115.36 1q81 n GLY 31 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.69 1q81 n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q81 n ASP 32 N 1.98 2.34 -4.70 1.61 8.00 -1.26 -4.92 116.55 119.60 1q81 n ASP 32 Ca 0.00 -2.26 -0.44 0.00 0.71 0.00 0.00 54.79 52.80 1q81 n ASP 32 Cb 0.00 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.52 1q81 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q81 n ALA 33 N 0.17 1.88 -0.64 2.24 0.00 -1.07 -1.98 120.51 121.11 1q81 n ALA 33 Ca 0.08 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1q81 n ALA 33 Cb 0.52 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1q81 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q81 n GLY 34 N 3.00 0.77 0.19 0.00 0.00 -1.26 -4.70 105.19 103.19 1q81 n GLY 34 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1q81 n GLY 34 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1q81 h ARG 35 N 3.13 0.00 0.00 1.61 -0.00 -1.50 0.12 114.38 117.74 1q81 h ARG 35 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1q81 h ARG 35 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1q81 h ARG 35 CO 0.00 0.00 -0.82 -0.40 -0.00 0.00 0.00 179.97 178.75 1q81 n ASP 36 N -2.31 1.86 0.00 0.08 5.75 -1.26 -3.46 116.55 117.21 1q81 n ASP 36 Ca -0.01 -0.33 0.00 0.00 -0.01 0.00 0.00 54.79 54.44 1q81 n ASP 36 Cb 0.16 1.16 0.00 0.00 -1.03 0.00 0.00 41.12 41.41 1q81 n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1q81 n LYS 37 N -1.45 0.00 -0.21 0.11 4.76 -0.39 -4.71 118.16 116.28 1q81 n LYS 37 Ca 0.00 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.38 1q81 n LYS 37 Cb 0.14 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.37 1q81 n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1q81 h HIS 38 N 0.00 0.76 -1.95 2.13 2.07 -1.92 -3.15 115.15 113.08 1q81 h HIS 38 Ca 0.00 0.01 -0.69 0.00 -2.85 0.00 0.00 60.37 56.84 1q81 h HIS 38 Cb 0.00 -0.25 -0.35 0.00 2.57 0.00 0.00 27.41 29.38 1q81 h HIS 38 CO 0.00 0.50 0.17 0.39 -3.07 0.00 0.00 177.93 175.91 1q81 n GLU 39 N -4.65 3.57 0.13 5.12 1.02 0.28 -4.60 120.64 121.50 1q81 n GLU 39 Ca 0.04 -4.31 0.01 0.00 -0.02 0.00 0.00 57.16 52.88 1q81 n GLU 39 Cb 0.03 -2.30 0.06 0.00 -0.02 0.00 0.00 31.44 29.21 1q81 n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1q81 h PHE 40 N 3.09 0.00 -2.00 -0.32 -5.15 -1.50 -3.33 116.94 107.74 1q81 h PHE 40 Ca 0.39 0.00 -0.64 0.00 -0.20 0.00 0.00 57.97 57.53 1q81 h PHE 40 Cb 0.45 0.00 0.10 0.00 0.22 0.00 0.00 35.95 36.72 1q81 h PHE 40 CO 1.03 0.60 0.05 0.72 -2.00 0.00 0.00 178.31 178.72 1q81 n HIS 41 N -3.34 0.94 -3.27 6.09 -0.00 -1.26 -2.36 115.22 112.02 1q81 n HIS 41 Ca 0.01 0.75 -0.24 0.00 -0.00 0.00 0.00 57.72 58.25 1q81 n HIS 41 Cb 0.74 -2.20 0.03 0.00 -0.00 0.00 0.00 29.99 28.55 1q81 n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1q81 n ASN 42 N 1.62 -5.35 -3.96 0.41 5.03 -1.26 -5.00 115.26 106.75 1q81 n ASN 42 Ca 0.13 -0.39 -0.26 0.00 0.87 0.00 0.00 54.58 54.93 1q81 n ASN 42 Cb 0.28 -4.33 -0.17 0.00 -1.02 0.00 0.00 39.78 34.54 1q81 n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1q81 s HIS 43 N -3.14 1.50 0.30 3.10 3.76 -1.00 -5.11 115.29 114.70 1q81 s HIS 43 Ca 0.40 -0.67 -0.29 0.00 -0.15 0.00 0.00 55.06 54.34 1q81 s HIS 43 Cb -0.19 -1.18 -0.13 0.00 1.11 0.00 0.00 32.58 32.20 1q81 s HIS 43 CO 0.49 -0.42 1.38 0.39 -0.85 0.00 0.00 174.74 175.74 1q81 n GLU 44 N 4.45 2.20 -1.08 1.40 1.02 -1.26 -4.90 120.64 122.47 1q81 n GLU 44 Ca -0.17 0.78 -0.35 0.00 -0.02 0.00 0.00 57.16 57.39 1q81 n GLU 44 Cb 0.51 -2.42 0.07 0.00 -0.02 0.00 0.00 31.44 29.58 1q81 n GLU 44 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1q81 n PRO 45 N 1.32 0.04 -1.80 3.49 -0.04 -1.26 -5.00 135.00 131.76 1q81 n PRO 45 Ca 0.08 0.05 -0.31 0.00 -0.04 0.00 0.00 63.50 63.28 1q81 n PRO 45 Cb 0.35 -1.59 0.03 0.00 -0.04 0.00 0.00 33.50 32.24 1q81 n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1q81 s LEU 46 N 1.66 3.14 0.00 1.53 1.43 -1.26 -5.02 118.68 120.16 1q81 s LEU 46 Ca 0.57 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1q81 s LEU 46 Cb -0.29 -4.38 0.00 0.00 0.03 0.00 0.00 46.19 41.55 1q81 s LEU 46 CO 0.66 -1.08 0.00 0.61 0.23 0.00 0.00 176.35 176.77 1q81 n GLY 47 N -2.62 0.82 3.53 -3.19 0.00 -1.26 -5.09 105.19 97.38 1q81 n GLY 47 Ca 0.06 -2.28 -0.28 0.00 0.00 0.00 0.00 46.02 43.52 1q81 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q81 s LYS 48 N -0.91 1.92 -0.15 1.61 1.02 -1.26 -5.14 119.74 116.83 1q81 s LYS 48 Ca 0.00 -1.22 -0.07 0.00 0.02 0.00 0.00 55.97 54.70 1q81 s LYS 48 Cb 0.00 -2.14 0.06 0.00 -0.52 0.00 0.00 37.83 35.23 1q81 s LYS 48 CO 0.00 0.46 0.35 0.45 -0.92 0.00 0.00 175.35 175.69 1q81 s SER 49 N -2.45 -0.31 0.61 2.83 0.15 -1.26 -5.14 113.70 108.14 1q81 s SER 49 Ca 0.21 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.64 1q81 s SER 49 Cb -0.10 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 1q81 s SER 49 CO 0.12 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1q81 n GLY 50 N 4.55 0.25 3.81 9.45 0.00 -1.26 -4.99 105.19 117.01 1q81 n GLY 50 Ca -0.20 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.85 1q81 n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1q81 s PHE 51 N 0.00 -0.08 0.16 1.61 -0.12 -1.26 -5.17 117.98 113.11 1q81 s PHE 51 Ca 0.00 -0.38 0.08 0.00 -0.05 0.00 0.00 56.93 56.59 1q81 s PHE 51 Cb 0.00 0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 42.98 1q81 s PHE 51 CO 0.00 -1.22 -0.18 0.15 -0.05 0.00 0.00 175.22 173.91 1q81 s LYS 52 N -3.84 1.25 0.01 1.99 1.02 -1.26 -5.15 119.74 113.77 1q81 s LYS 52 Ca 0.13 -1.38 -0.01 0.00 0.02 0.00 0.00 55.97 54.73 1q81 s LYS 52 Cb -0.05 -1.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.90 1q81 s LYS 52 CO 0.08 0.27 0.15 1.03 -0.92 0.00 0.00 175.35 175.96 1q81 s ARG 53 N -2.70 3.28 0.08 1.68 0.52 -1.26 -5.03 118.95 115.52 1q81 s ARG 53 Ca 0.15 -0.42 -0.37 0.00 -0.52 0.00 0.00 55.73 54.56 1q81 s ARG 53 Cb -0.06 -2.99 -0.17 0.00 0.52 0.00 0.00 34.95 32.25 1q81 s ARG 53 CO 0.06 0.65 1.27 -0.35 0.02 0.00 0.00 175.30 176.95 1q81 n PRO 54 N 0.84 0.92 -0.32 3.54 -0.04 -1.26 -4.82 135.00 133.87 1q81 n PRO 54 Ca -0.10 0.33 0.28 0.00 -0.04 0.00 0.00 63.50 63.97 1q81 n PRO 54 Cb 0.52 -1.93 0.53 0.00 -0.04 0.00 0.00 33.50 32.58 1q81 n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1q81 h GLN 55 N 4.14 0.07 -0.79 0.54 4.20 -1.97 0.13 115.11 121.43 1q81 h GLN 55 Ca -0.48 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1q81 h GLN 55 Cb 1.35 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.12 1q81 h GLN 55 CO 0.75 0.05 0.00 0.36 -0.67 0.00 0.00 178.83 179.31 1q81 n LYS 56 N -5.24 2.86 -0.01 1.46 2.85 -1.26 -3.06 118.16 115.77 1q81 n LYS 56 Ca 0.35 -1.52 0.01 0.00 -1.05 0.00 0.00 58.31 56.10 1q81 n LYS 56 Cb 1.16 -1.86 0.01 0.00 -0.65 0.00 0.00 35.03 33.70 1q81 n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1q81 n VAL 57 N 0.31 0.40 -3.55 0.58 0.31 0.45 -5.00 118.33 111.83 1q81 n VAL 57 Ca 0.13 -0.70 -0.38 0.00 -0.01 0.00 0.00 64.34 63.38 1q81 n VAL 57 Cb 0.70 0.81 -0.10 0.00 -0.91 0.00 0.00 33.84 34.34 1q81 n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1q81 s GLN 58 N -0.46 3.99 -0.20 5.55 -0.21 -1.17 -5.02 119.66 122.13 1q81 s GLN 58 Ca 0.02 -0.22 -0.16 0.00 0.02 0.00 0.00 55.36 55.02 1q81 s GLN 58 Cb 0.01 -3.64 -0.04 0.00 1.00 0.00 0.00 33.01 30.35 1q81 s GLN 58 CO 0.02 -0.16 0.39 -1.21 -2.12 0.00 0.00 175.29 172.21 1q81 s GLU 59 N 1.69 4.17 -0.32 2.91 2.02 -1.26 -5.06 118.70 122.85 1q81 s GLU 59 Ca 0.09 0.19 -0.09 0.00 0.02 0.00 0.00 54.97 55.18 1q81 s GLU 59 Cb -0.16 -3.54 0.01 0.00 0.10 0.00 0.00 34.13 30.54 1q81 s GLU 59 CO 0.10 -0.04 0.14 -2.00 0.02 0.00 0.00 175.26 173.48 1q81 s GLU 60 N 1.31 3.12 0.00 1.61 2.12 -1.26 -4.97 118.70 120.63 1q81 s GLU 60 Ca 0.19 -0.86 -0.22 0.00 0.36 0.00 0.00 54.97 54.44 1q81 s GLU 60 Cb -0.15 -3.54 -0.05 0.00 0.26 0.00 0.00 34.13 30.65 1q81 s GLU 60 CO 0.08 -0.49 0.65 0.00 -0.54 0.00 0.00 175.26 174.95 1q81 s ALA 61 N 1.56 3.44 -0.39 6.30 0.00 -1.26 -0.79 121.76 130.61 1q81 s ALA 61 Ca 0.03 0.10 -0.23 0.00 0.00 0.00 0.00 51.96 51.87 1q81 s ALA 61 Cb -0.18 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.13 1q81 s ALA 61 CO 0.05 0.11 0.78 0.00 0.00 0.00 0.00 175.76 176.69 1q81 s ALA 62 N -0.05 3.38 0.19 0.00 0.00 0.19 -4.92 121.76 120.56 1q81 s ALA 62 Ca 0.34 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.58 1q81 s ALA 62 Cb -0.19 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1q81 s ALA 62 CO 0.19 -1.63 0.03 0.95 0.00 0.00 0.00 175.76 175.30 1q81 s THR 63 N 3.15 3.82 -0.17 0.00 -4.23 -1.26 -0.19 115.64 116.76 1q81 s THR 63 Ca 0.30 -1.46 -0.21 0.00 -1.18 0.00 0.00 61.69 59.14 1q81 s THR 63 Cb -0.13 -2.96 0.06 0.00 1.34 0.00 0.00 72.50 70.81 1q81 s THR 63 CO 0.19 -0.17 0.57 -0.51 -0.54 0.00 0.00 174.62 174.16 1q81 s ILE 64 N -1.85 0.01 -0.03 2.99 2.07 -0.95 -4.97 121.20 118.46 1q81 s ILE 64 Ca 0.29 -0.05 -0.14 0.00 -1.41 0.00 0.00 60.65 59.35 1q81 s ILE 64 Cb -0.09 -0.82 -0.05 0.00 0.13 0.00 0.00 42.46 41.63 1q81 s ILE 64 CO 0.20 -0.03 0.36 -1.81 -1.91 0.00 0.00 174.94 171.75 1q81 s ASP 65 N -0.10 6.72 0.25 4.50 1.01 -1.26 0.09 116.67 127.88 1q81 s ASP 65 Ca -0.03 0.86 -0.12 0.00 0.71 0.00 0.00 52.55 53.96 1q81 s ASP 65 Cb -0.03 -2.22 0.35 0.00 1.01 0.00 0.00 42.92 42.03 1q81 s ASP 65 CO 0.03 0.31 1.56 -0.37 0.21 0.00 0.00 175.17 176.91 1q81 h VAL 66 N 3.84 0.03 -1.12 -1.27 -1.51 -1.40 0.29 116.25 115.12 1q81 h VAL 66 Ca -0.51 0.00 0.40 0.00 -1.23 0.00 0.00 66.70 65.36 1q81 h VAL 66 Cb 1.22 0.03 -0.16 0.00 -2.13 0.00 0.00 31.29 30.25 1q81 h VAL 66 CO 0.62 0.00 0.66 -0.09 -1.23 0.00 0.00 177.57 177.53 1q81 h ARG 67 N -0.01 0.10 -0.08 5.19 2.43 -1.63 0.26 114.38 120.65 1q81 h ARG 67 Ca 0.41 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.52 1q81 h ARG 67 Cb 0.66 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1q81 h ARG 67 CO -0.98 0.07 -0.14 1.49 -1.51 0.00 0.00 179.97 178.89 1q81 h GLU 68 N 0.10 0.24 0.39 0.20 4.81 -0.72 -0.67 114.58 118.93 1q81 h GLU 68 Ca 0.82 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.88 1q81 h GLU 68 Cb 2.24 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 31.63 1q81 h GLU 68 CO -0.61 0.73 -0.23 0.82 -0.73 0.00 0.00 179.01 178.98 1q81 h ILE 69 N -0.23 0.51 -0.81 2.32 2.04 -0.68 -3.10 117.51 117.56 1q81 h ILE 69 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1q81 h ILE 69 Cb 0.72 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 1q81 h ILE 69 CO 0.03 0.00 0.52 -0.78 0.00 0.00 0.00 178.15 177.93 1q81 h ASP 70 N -0.60 0.88 0.40 1.72 3.58 -0.68 -2.34 116.42 119.37 1q81 h ASP 70 Ca -0.04 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1q81 h ASP 70 Cb 0.49 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1q81 h ASP 70 CO 0.05 0.61 0.00 -0.33 -2.88 0.00 0.00 179.24 176.69 1q81 h GLU 71 N 1.03 0.00 0.00 0.28 5.08 -1.04 -3.07 114.58 116.86 1q81 h GLU 71 Ca 0.32 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1q81 h GLU 71 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1q81 h GLU 71 CO -0.10 0.00 -0.18 0.09 -1.00 0.00 0.00 179.01 177.82 1q81 n ASN 72 N -2.75 1.71 0.01 1.42 3.02 -0.93 -4.84 115.26 112.91 1q81 n ASN 72 Ca -0.01 -2.86 -0.10 0.00 -0.03 0.00 0.00 54.58 51.59 1q81 n ASN 72 Cb 0.15 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 38.91 1q81 n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1q81 h VAL 73 N 1.91 0.59 -0.50 2.41 -1.51 -1.34 -0.81 116.25 117.00 1q81 h VAL 73 Ca -0.01 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.52 1q81 h VAL 73 Cb 1.12 0.59 -0.05 0.00 -2.13 0.00 0.00 31.29 30.81 1q81 h VAL 73 CO 0.00 0.00 0.22 0.71 -1.23 0.00 0.00 177.57 177.27 1q81 h THR 74 N -0.21 0.90 0.00 7.19 1.35 -1.88 -1.62 112.91 118.64 1q81 h THR 74 Ca 0.09 -0.15 -0.02 0.00 -0.55 0.00 0.00 66.41 65.78 1q81 h THR 74 Cb 0.33 0.44 -0.00 0.00 -1.73 0.00 0.00 68.15 67.19 1q81 h THR 74 CO -0.23 0.08 -0.11 -0.07 -0.25 0.00 0.00 175.52 174.94 1q81 h LEU 75 N 0.42 0.00 -4.02 3.87 3.38 -1.78 -2.86 115.31 114.32 1q81 h LEU 75 Ca 0.23 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.94 1q81 h LEU 75 Cb 0.19 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 1q81 h LEU 75 CO -0.20 0.11 -0.12 0.18 0.09 0.00 0.00 178.44 178.51 1q81 n LEU 76 N -4.03 5.62 -0.02 1.67 4.77 -0.35 -4.56 117.00 120.09 1q81 n LEU 76 Ca -0.02 -3.34 0.24 0.00 -0.03 0.00 0.00 56.01 52.85 1q81 n LEU 76 Cb 0.20 -1.33 0.69 0.00 -2.33 0.00 0.00 43.42 40.65 1q81 n LEU 76 CO 0.32 1.62 1.21 0.00 -1.33 0.00 0.00 177.39 179.22 1q81 h ALA 77 N 2.74 2.40 -0.31 -1.18 0.00 -1.66 -0.77 119.26 120.49 1q81 h ALA 77 Ca 0.23 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.88 1q81 h ALA 77 Cb 1.24 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 1q81 h ALA 77 CO 0.40 -0.95 0.24 0.00 0.00 0.00 0.00 179.25 178.93 1q81 n ALA 78 N -2.39 5.00 -3.63 0.00 0.00 -1.26 -4.76 120.51 113.47 1q81 n ALA 78 Ca 0.12 -1.31 -0.05 0.00 0.00 0.00 0.00 53.44 52.20 1q81 n ALA 78 Cb 0.86 -1.40 -0.07 0.00 0.00 0.00 0.00 19.45 18.84 1q81 n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q81 s ASP 79 N 0.86 -0.64 0.00 0.00 1.01 -0.30 -5.15 116.67 112.45 1q81 s ASP 79 Ca 0.27 1.21 0.00 0.00 0.71 0.00 0.00 52.55 54.74 1q81 s ASP 79 Cb 0.19 1.76 0.00 0.00 1.01 0.00 0.00 42.92 45.88 1q81 s ASP 79 CO -0.02 -0.23 0.00 0.47 0.21 0.00 0.00 175.17 175.60 1q81 n ASP 80 N 5.42 0.00 -4.14 0.27 9.92 -1.25 -4.76 116.55 122.00 1q81 n ASP 80 Ca -0.10 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 53.93 1q81 n ASP 80 Cb 0.49 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.82 1q81 n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1q81 s VAL 81 N 0.00 1.24 0.00 2.53 1.01 -1.26 -2.19 120.40 121.73 1q81 s VAL 81 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1q81 s VAL 81 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.34 1q81 s VAL 81 CO 0.00 0.31 0.00 0.00 0.00 0.00 0.00 175.10 175.41 1q81 n ALA 82 N 2.59 0.00 0.21 5.51 0.00 -1.26 -4.88 120.51 122.68 1q81 n ALA 82 Ca -0.15 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.35 1q81 n ALA 82 Cb 0.55 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.30 1q81 n ALA 82 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1q81 h GLU 83 N 0.00 0.00 -6.47 0.00 4.11 -2.01 -3.50 114.58 106.71 1q81 h GLU 83 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.95 1q81 h GLU 83 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1q81 h GLU 83 CO 0.00 0.00 -0.22 -0.06 0.07 0.00 0.00 179.01 178.80 1q81 s PHE 89 N -3.45 3.49 -0.20 2.06 0.40 -0.49 -5.09 117.98 114.70 1q81 s PHE 89 Ca -0.01 0.31 -0.01 0.00 -0.60 0.00 0.00 56.93 56.62 1q81 s PHE 89 Cb 0.03 -1.86 0.06 0.00 0.51 0.00 0.00 43.02 41.76 1q81 s PHE 89 CO 0.10 0.17 -0.02 0.50 0.70 0.00 0.00 175.22 176.67 1q81 s ARG 90 N -4.23 1.20 -0.06 0.44 3.52 -0.93 -0.54 118.95 118.36 1q81 s ARG 90 Ca 0.39 -0.66 0.04 0.00 -0.13 0.00 0.00 55.73 55.37 1q81 s ARG 90 Cb -0.10 -2.27 0.00 0.00 -1.56 0.00 0.00 34.95 31.03 1q81 s ARG 90 CO 0.35 -0.58 -0.16 0.54 -0.81 0.00 0.00 175.30 174.64 1q81 s VAL 91 N 1.63 1.39 -0.33 7.11 0.11 -0.17 -3.81 120.40 126.32 1q81 s VAL 91 Ca -0.03 -0.66 -0.22 0.00 -2.93 0.00 0.00 61.98 58.14 1q81 s VAL 91 Cb -0.17 -1.21 0.00 0.00 -1.53 0.00 0.00 36.38 33.46 1q81 s VAL 91 CO -0.07 0.41 0.72 -0.62 -3.33 0.00 0.00 175.10 172.20 1q81 s ASP 92 N 0.28 6.55 0.19 3.54 -1.08 -1.26 -2.39 116.67 122.50 1q81 s ASP 92 Ca -0.09 0.43 -0.13 0.00 -0.52 0.00 0.00 52.55 52.24 1q81 s ASP 92 Cb -0.14 -2.37 0.19 0.00 -1.46 0.00 0.00 42.92 39.14 1q81 s ASP 92 CO 0.03 -0.61 1.72 0.58 0.52 0.00 0.00 175.17 177.42 1q81 h VAL 93 N 5.64 0.73 -1.11 1.11 2.07 -1.52 -2.70 116.25 120.46 1q81 h VAL 93 Ca -0.25 -0.08 0.43 0.00 0.82 0.00 0.00 66.70 67.61 1q81 h VAL 93 Cb 1.10 0.47 -0.17 0.00 -1.52 0.00 0.00 31.29 31.18 1q81 h VAL 93 CO 0.86 0.04 0.64 0.03 0.02 0.00 0.00 177.57 179.16 1q81 h ARG 94 N 0.24 0.03 0.00 1.57 3.08 -1.92 1.99 114.38 119.36 1q81 h ARG 94 Ca 0.25 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1q81 h ARG 94 Cb 0.33 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1q81 h ARG 94 CO -0.32 0.02 -0.08 -0.25 -1.07 0.00 0.00 179.97 178.27 1q81 n ASP 95 N -5.09 0.51 -0.08 7.04 8.00 -1.02 -4.12 116.55 121.79 1q81 n ASP 95 Ca 0.38 0.47 -0.09 0.00 0.71 0.00 0.00 54.79 56.26 1q81 n ASP 95 Cb 1.34 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 41.84 1q81 n ASP 95 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1q81 h VAL 96 N 0.00 0.30 -3.26 2.53 2.07 0.31 -3.47 116.25 114.72 1q81 h VAL 96 Ca 0.00 -1.36 -0.53 0.00 0.82 0.00 0.00 66.70 65.64 1q81 h VAL 96 Cb 0.64 0.70 0.08 0.00 -1.52 0.00 0.00 31.29 31.20 1q81 h VAL 96 CO 0.00 0.10 0.91 -0.69 0.02 0.00 0.00 177.57 177.91 1q81 s VAL 97 N -2.20 2.03 0.51 2.57 1.01 -0.71 -5.01 120.40 118.59 1q81 s VAL 97 Ca -0.17 0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 1q81 s VAL 97 Cb 0.03 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 1q81 s VAL 97 CO 0.31 0.00 0.84 -1.61 0.00 0.00 0.00 175.10 174.64 1q81 s GLU 98 N -0.35 3.51 0.00 2.72 2.02 -1.26 -3.68 118.70 121.66 1q81 s GLU 98 Ca 0.65 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.91 1q81 s GLU 98 Cb -0.48 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.43 1q81 s GLU 98 CO 0.47 -0.30 0.00 0.39 0.02 0.00 0.00 175.26 175.83 1q81 n GLU 99 N -2.37 -0.36 0.00 1.61 1.02 -1.26 -4.84 120.64 114.44 1q81 n GLU 99 Ca 0.02 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1q81 n GLU 99 Cb 0.55 -3.49 0.00 0.00 -0.02 0.00 0.00 31.44 28.48 1q81 n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q81 n ALA 100 N 1.00 1.96 -0.05 0.62 0.00 -1.24 -2.82 120.51 119.98 1q81 n ALA 100 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1q81 n ALA 100 Cb 0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 1q81 n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1q81 n ASP 101 N -0.03 0.85 -0.03 0.00 8.00 -1.26 -4.55 116.55 119.53 1q81 n ASP 101 Ca 0.00 0.14 0.04 0.00 0.71 0.00 0.00 54.79 55.69 1q81 n ASP 101 Cb 0.10 -0.35 0.24 0.00 -0.02 0.00 0.00 41.12 41.09 1q81 n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1q81 n ASP 102 N -3.54 0.09 -4.84 -2.24 5.75 -1.17 -4.77 116.55 105.83 1q81 n ASP 102 Ca -0.20 -1.76 -0.36 0.00 -0.01 0.00 0.00 54.79 52.46 1q81 n ASP 102 Cb 0.61 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.62 1q81 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1q81 s ALA 103 N -1.98 3.77 -1.01 2.12 0.00 -1.13 -4.91 121.76 118.62 1q81 s ALA 103 Ca 0.13 -0.70 0.12 0.00 0.00 0.00 0.00 51.96 51.50 1q81 s ALA 103 Cb 0.06 -1.85 0.52 0.00 0.00 0.00 0.00 23.12 21.85 1q81 s ALA 103 CO 0.10 0.64 1.38 -3.47 0.00 0.00 0.00 175.76 174.41 1q81 n ASP 104 N 1.79 0.00 0.00 0.00 -0.08 0.03 -4.86 116.55 113.43 1q81 n ASP 104 Ca -0.18 0.49 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 1q81 n ASP 104 Cb 0.54 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.51 1q81 n ASP 104 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1q81 n TYR 105 N -1.49 0.00 -4.09 -0.67 0.18 -1.26 -5.01 117.16 104.82 1q81 n TYR 105 Ca 0.03 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.46 1q81 n TYR 105 Cb 0.14 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.00 1q81 n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1q81 s VAL 106 N -2.00 4.68 -0.07 -3.48 1.01 -1.26 -0.63 120.40 118.64 1q81 s VAL 106 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1q81 s VAL 106 Cb 0.00 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.32 1q81 s VAL 106 CO 0.00 0.50 -0.12 -0.75 0.00 0.00 0.00 175.10 174.73 1q81 s LYS 107 N 0.10 1.70 -0.06 2.72 2.20 0.73 -2.05 119.74 125.08 1q81 s LYS 107 Ca 0.04 -0.40 -0.18 0.00 -0.36 0.00 0.00 55.97 55.07 1q81 s LYS 107 Cb -0.12 -1.44 -0.05 0.00 -1.51 0.00 0.00 37.83 34.70 1q81 s LYS 107 CO 0.01 -0.01 0.50 0.08 -0.36 0.00 0.00 175.35 175.57 1q81 s VAL 108 N 0.80 5.07 0.16 4.02 1.01 0.11 -2.23 120.40 129.34 1q81 s VAL 108 Ca -0.12 1.02 0.07 0.00 0.00 0.00 0.00 61.98 62.94 1q81 s VAL 108 Cb -0.15 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1q81 s VAL 108 CO 0.02 0.40 0.03 -0.76 0.00 0.00 0.00 175.10 174.79 1q81 s LEU 109 N 0.05 3.44 -0.91 3.92 1.43 0.11 -2.64 118.68 124.09 1q81 s LEU 109 Ca 0.27 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1q81 s LEU 109 Cb -0.16 -2.09 0.34 0.00 0.03 0.00 0.00 46.19 44.30 1q81 s LEU 109 CO 0.13 0.09 1.84 0.61 0.23 0.00 0.00 176.35 179.25 1q81 n GLY 110 N -0.09 5.86 3.83 -3.19 0.00 -1.26 -1.59 105.19 108.75 1q81 n GLY 110 Ca -0.09 -2.56 -0.38 0.00 0.00 0.00 0.00 46.02 42.99 1q81 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q81 s ALA 111 N -4.16 3.73 0.00 4.61 0.00 -1.26 -4.52 121.76 120.16 1q81 s ALA 111 Ca 0.45 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1q81 s ALA 111 Cb 0.30 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1q81 s ALA 111 CO -0.25 0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.38 1q81 n GLY 112 N 2.10 -1.73 3.80 0.00 0.00 -1.26 -2.65 105.19 105.45 1q81 n GLY 112 Ca -0.15 -1.67 -0.22 0.00 0.00 0.00 0.00 46.02 43.98 1q81 n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q81 s GLN 113 N 0.00 2.62 -0.31 1.61 -0.21 -1.26 -4.86 119.66 117.24 1q81 s GLN 113 Ca 0.00 -1.35 -0.01 0.00 0.02 0.00 0.00 55.36 54.02 1q81 s GLN 113 Cb 0.00 -2.38 0.10 0.00 1.00 0.00 0.00 33.01 31.73 1q81 s GLN 113 CO 0.00 0.16 0.12 0.08 -2.12 0.00 0.00 175.29 173.52 1q81 s VAL 114 N -2.32 0.68 -2.13 1.09 1.01 -1.26 -3.97 120.40 113.50 1q81 s VAL 114 Ca 0.38 -1.34 0.16 0.00 0.00 0.00 0.00 61.98 61.19 1q81 s VAL 114 Cb -0.05 -1.52 0.41 0.00 0.00 0.00 0.00 36.38 35.22 1q81 s VAL 114 CO 0.25 -0.71 1.40 0.54 0.00 0.00 0.00 175.10 176.57 1q81 n ARG 115 N 4.83 1.94 -4.27 2.72 1.74 -1.26 -4.76 116.66 117.60 1q81 n ARG 115 Ca -0.02 -1.44 -0.15 0.00 -0.77 0.00 0.00 57.85 55.47 1q81 n ARG 115 Cb 0.41 -1.37 -0.10 0.00 -1.02 0.00 0.00 32.46 30.39 1q81 n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1q81 s HIS 116 N -1.56 1.34 -0.34 -1.55 3.76 -1.26 -5.10 115.29 110.58 1q81 s HIS 116 Ca 0.30 -0.87 -0.29 0.00 -0.15 0.00 0.00 55.06 54.06 1q81 s HIS 116 Cb 0.16 -0.74 0.02 0.00 1.11 0.00 0.00 32.58 33.13 1q81 s HIS 116 CO 0.23 -0.02 1.07 -1.21 -0.85 0.00 0.00 174.74 173.95 1q81 s GLU 117 N -3.82 4.01 -0.04 1.40 2.02 -1.23 -4.80 118.70 116.23 1q81 s GLU 117 Ca 0.22 0.96 0.07 0.00 0.02 0.00 0.00 54.97 56.24 1q81 s GLU 117 Cb 0.04 -3.76 -0.02 0.00 0.10 0.00 0.00 34.13 30.50 1q81 s GLU 117 CO 0.04 -0.96 -0.24 -0.51 0.02 0.00 0.00 175.26 173.60 1q81 s LEU 118 N 3.73 2.12 -0.42 1.80 1.43 -1.26 -1.40 118.68 124.68 1q81 s LEU 118 Ca 0.45 -0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 53.00 1q81 s LEU 118 Cb -0.12 -1.38 0.08 0.00 0.03 0.00 0.00 46.19 44.81 1q81 s LEU 118 CO 0.18 0.28 0.25 -0.89 0.23 0.00 0.00 176.35 176.40 1q81 s THR 119 N -0.37 4.09 -0.16 5.49 2.01 0.30 -0.69 115.64 126.31 1q81 s THR 119 Ca 0.03 -1.50 -0.05 0.00 0.31 0.00 0.00 61.69 60.48 1q81 s THR 119 Cb -0.12 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1q81 s THR 119 CO 0.02 -0.53 -0.00 -0.76 -0.69 0.00 0.00 174.62 172.65 1q81 s LEU 120 N 1.39 3.45 -0.28 4.42 1.43 0.10 -1.00 118.68 128.18 1q81 s LEU 120 Ca 0.03 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1q81 s LEU 120 Cb -0.23 -1.84 0.06 0.00 0.03 0.00 0.00 46.19 44.21 1q81 s LEU 120 CO 0.01 0.19 -0.06 -0.63 0.23 0.00 0.00 176.35 176.09 1q81 s ILE 121 N 0.26 2.38 0.34 -0.59 1.01 -1.00 0.17 121.20 123.76 1q81 s ILE 121 Ca -0.01 -1.69 0.00 0.00 0.00 0.00 0.00 60.65 58.95 1q81 s ILE 121 Cb -0.13 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 1q81 s ILE 121 CO 0.02 -0.14 0.42 0.00 0.00 0.00 0.00 174.94 175.25 1q81 s ALA 122 N 1.11 1.05 -0.32 9.38 0.00 -1.11 -1.15 121.76 130.73 1q81 s ALA 122 Ca -0.05 -1.66 0.20 0.00 0.00 0.00 0.00 51.96 50.45 1q81 s ALA 122 Cb -0.20 1.24 0.19 0.00 0.00 0.00 0.00 23.12 24.35 1q81 s ALA 122 CO -0.05 -0.76 1.44 -0.44 0.00 0.00 0.00 175.76 175.96 1q81 h ASP 123 N 2.12 0.00 -4.10 0.00 3.32 -1.74 -1.38 116.42 114.64 1q81 h ASP 123 Ca -0.28 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.80 1q81 h ASP 123 Cb 1.24 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.56 1q81 h ASP 123 CO 0.38 0.17 0.39 -0.62 -1.72 0.00 0.00 179.24 177.85 1q81 s ASP 124 N -6.14 -0.50 0.15 6.45 2.15 -0.91 -4.01 116.67 113.86 1q81 s ASP 124 Ca 0.05 0.71 0.03 0.00 0.43 0.00 0.00 52.55 53.76 1q81 s ASP 124 Cb 0.07 0.63 -0.04 0.00 -0.30 0.00 0.00 42.92 43.27 1q81 s ASP 124 CO 0.72 -0.35 -0.05 -0.36 -0.17 0.00 0.00 175.17 174.95 1q81 s PHE 125 N -0.64 1.18 0.18 -5.34 0.40 -1.26 -0.71 117.98 111.78 1q81 s PHE 125 Ca -0.03 -0.89 0.05 0.00 -0.60 0.00 0.00 56.93 55.47 1q81 s PHE 125 Cb -0.02 -0.65 -0.04 0.00 0.51 0.00 0.00 43.02 42.83 1q81 s PHE 125 CO 0.02 -0.07 0.20 -1.54 0.70 0.00 0.00 175.22 174.53 1q81 s SER 126 N -3.15 5.78 0.07 1.36 1.04 -1.08 -4.95 113.70 112.77 1q81 s SER 126 Ca 0.18 -0.07 -0.16 0.00 0.48 0.00 0.00 55.95 56.39 1q81 s SER 126 Cb 0.05 -1.58 -0.05 0.00 0.10 0.00 0.00 66.02 64.54 1q81 s SER 126 CO 0.01 0.03 1.26 -0.33 0.98 0.00 0.00 173.24 175.19 1q81 h GLU 127 N 2.06 -0.11 -0.99 4.02 5.08 -2.00 -0.22 114.58 122.42 1q81 h GLU 127 Ca -0.48 0.01 0.35 0.00 -1.00 0.00 0.00 59.36 58.23 1q81 h GLU 127 Cb 1.21 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 30.32 1q81 h GLU 127 CO 0.64 -0.07 0.50 0.78 -1.00 0.00 0.00 179.01 179.85 1q81 h GLY 128 N -0.11 2.04 0.97 -3.84 0.00 -1.96 0.29 103.07 100.46 1q81 h GLY 128 Ca 0.05 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 1q81 h GLY 128 CO -0.36 -0.60 0.08 0.00 0.00 0.00 0.00 176.54 175.66 1q81 h ALA 129 N 1.91 0.62 0.15 3.60 0.00 -1.30 -1.16 119.26 123.08 1q81 h ALA 129 Ca 0.75 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 1q81 h ALA 129 Cb 1.81 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1q81 h ALA 129 CO -0.69 0.35 -0.07 0.00 0.00 0.00 0.00 179.25 178.84 1q81 h ARG 130 N 0.65 -0.19 -0.93 0.00 3.08 0.31 -0.24 114.38 117.05 1q81 h ARG 130 Ca 0.14 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.34 1q81 h ARG 130 Cb 0.39 0.04 -0.15 0.00 0.08 0.00 0.00 29.97 30.34 1q81 h ARG 130 CO 0.01 -0.13 -0.38 0.39 -1.07 0.00 0.00 179.97 178.79 1q81 n GLU 131 N -2.63 -0.24 -0.18 0.04 1.02 -0.41 -0.07 120.64 118.18 1q81 n GLU 131 Ca -0.02 1.43 -0.04 0.00 -0.02 0.00 0.00 57.16 58.50 1q81 n GLU 131 Cb 0.08 -2.12 0.06 0.00 -0.02 0.00 0.00 31.44 29.44 1q81 n GLU 131 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1q81 h LYS 132 N 0.00 0.54 0.00 3.49 1.57 -1.19 0.27 116.57 121.25 1q81 h LYS 132 Ca 0.31 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 1q81 h LYS 132 Cb 0.54 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1q81 h LYS 132 CO -0.92 0.36 -0.33 0.28 -0.57 0.00 0.00 179.45 178.27 1q81 h VAL 133 N 0.56 0.83 0.16 0.50 2.07 0.14 -3.00 116.25 117.51 1q81 h VAL 133 Ca 0.24 -1.36 -0.34 0.00 0.82 0.00 0.00 66.70 66.06 1q81 h VAL 133 Cb 0.13 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1q81 h VAL 133 CO -0.15 0.32 -1.71 -0.33 0.02 0.00 0.00 177.57 175.72 1q81 h GLU 134 N 0.00 0.34 0.00 1.57 5.08 -0.57 -1.09 114.58 119.91 1q81 h GLU 134 Ca -0.00 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1q81 h GLU 134 Cb 0.81 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1q81 h GLU 134 CO 0.04 1.23 0.15 0.78 -1.00 0.00 0.00 179.01 180.21 1q81 h GLY 135 N 1.07 0.00 -3.42 -3.84 0.00 -0.37 0.23 103.07 96.74 1q81 h GLY 135 Ca -0.32 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.57 1q81 h GLY 135 CO 0.17 0.00 0.42 0.00 0.00 0.00 0.00 176.54 177.12 1q81 n ALA 136 N -1.95 5.30 -3.08 3.60 0.00 -1.14 -4.88 120.51 118.36 1q81 n ALA 136 Ca -0.02 -3.07 -0.20 0.00 0.00 0.00 0.00 53.44 50.15 1q81 n ALA 136 Cb 0.20 -1.24 0.04 0.00 0.00 0.00 0.00 19.45 18.46 1q81 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q81 n GLY 137 N -1.11 -0.38 3.62 0.00 0.00 0.79 -3.54 105.19 104.58 1q81 n GLY 137 Ca 0.52 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 46.32 1q81 n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q81 s GLY 138 N -2.89 2.61 0.07 -0.02 0.00 -0.41 -4.55 107.32 102.13 1q81 s GLY 138 Ca 0.34 -1.47 0.06 0.00 0.00 0.00 0.00 44.72 43.64 1q81 s GLY 138 CO 0.42 -2.04 -0.16 -1.35 0.00 0.00 0.00 173.10 169.97 1q81 s SER 139 N -3.71 1.89 -0.17 1.64 1.04 0.14 -3.59 113.70 110.94 1q81 s SER 139 Ca 0.24 -0.59 -0.01 0.00 0.48 0.00 0.00 55.95 56.07 1q81 s SER 139 Cb 0.06 -0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.09 1q81 s SER 139 CO 0.12 -0.02 -0.13 -0.69 0.98 0.00 0.00 173.24 173.51 1q81 s VAL 140 N -1.14 2.84 -0.25 5.02 1.01 -1.26 -0.72 120.40 125.90 1q81 s VAL 140 Ca 0.01 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 1q81 s VAL 140 Cb -0.09 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 1q81 s VAL 140 CO 0.02 0.50 0.00 -1.61 0.00 0.00 0.00 175.10 174.01 1q81 s GLU 141 N 0.90 3.26 -0.30 2.72 2.02 0.44 -4.94 118.70 122.81 1q81 s GLU 141 Ca -0.03 -0.71 -0.29 0.00 0.02 0.00 0.00 54.97 53.96 1q81 s GLU 141 Cb -0.15 -3.14 0.01 0.00 0.10 0.00 0.00 34.13 30.96 1q81 s GLU 141 CO -0.01 -0.29 1.05 -1.17 0.02 0.00 0.00 175.26 174.87 1q81 s LEU 142 N 1.48 3.98 1.07 1.80 2.96 -1.26 -2.73 118.68 125.98 1q81 s LEU 142 Ca 0.04 1.11 -0.14 0.00 -0.22 0.00 0.00 54.13 54.92 1q81 s LEU 142 Cb -0.15 -3.52 0.15 0.00 0.50 0.00 0.00 46.19 43.17 1q81 s LEU 142 CO -0.01 -0.81 0.57 0.41 -1.32 0.00 0.00 176.35 175.19 1q81 n THR 143 N 5.71 0.00 0.21 3.68 -1.04 -0.52 -4.75 114.28 117.58 1q81 n THR 143 Ca 0.12 -0.28 0.07 0.00 -2.04 0.00 0.00 64.05 61.92 1q81 n THR 143 Cb 0.47 -0.79 0.57 0.00 -1.82 0.00 0.00 70.33 68.76 1q81 n THR 143 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1q81 h ASP 144 N -2.13 0.06 0.16 8.00 3.32 -1.96 0.35 116.42 124.22 1q81 h ASP 144 Ca -0.52 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.37 1q81 h ASP 144 Cb 1.32 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 1q81 h ASP 144 CO 0.41 0.11 -0.58 0.25 -1.72 0.00 0.00 179.24 177.71 1q81 h LEU 145 N 0.07 0.49 -2.38 1.55 6.46 -1.93 -2.16 115.31 117.41 1q81 h LEU 145 Ca 0.02 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 1q81 h LEU 145 Cb 0.10 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 1q81 h LEU 145 CO 0.00 0.96 0.00 1.23 -0.62 0.00 0.00 178.44 180.02 1q81 h GLY 146 N 1.20 0.00 -2.43 3.75 0.00 -0.46 -3.10 103.07 102.03 1q81 h GLY 146 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1q81 h GLY 146 CO 0.10 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.82 1q81 n GLU 147 N -2.81 0.27 -2.65 4.80 1.02 -0.81 -3.74 120.64 116.72 1q81 n GLU 147 Ca -0.02 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.84 1q81 n GLU 147 Cb 0.08 -1.36 -0.01 0.00 -0.02 0.00 0.00 31.44 30.12 1q81 n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1q81 n GLU 148 N 1.11 3.38 -3.62 3.49 1.02 -1.17 -4.91 120.64 119.94 1q81 n GLU 148 Ca 0.00 -4.63 -0.27 0.00 -0.02 0.00 0.00 57.16 52.24 1q81 n GLU 148 Cb 0.14 -2.25 -0.10 0.00 -0.02 0.00 0.00 31.44 29.20 1q81 n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1q81 n ARG 149 N -0.38 1.57 0.00 3.49 1.74 -1.25 -5.20 116.66 116.63 1q81 n ARG 149 Ca 0.36 -4.15 0.00 0.00 -0.77 0.00 0.00 57.85 53.29 1q81 n ARG 149 Cb 0.53 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.92 1q81 n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05