#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 s SER 2 N 0.00 6.12 0.25 8.00 1.04 -1.26 -5.02 113.70 122.84 3i56 s SER 2 Ca 0.00 -0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.34 3i56 s SER 2 Cb 0.00 -1.52 0.36 0.00 0.10 0.00 0.00 66.02 64.95 3i56 s SER 2 CO 0.00 -0.29 1.87 0.50 0.98 0.00 0.00 173.24 176.31 3i56 h LYS 3 N 0.99 1.07 -0.57 4.02 3.64 -2.07 -1.33 116.57 122.32 3i56 h LYS 3 Ca -0.48 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 58.81 3i56 h LYS 3 Cb 1.24 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 3i56 h LYS 3 CO 0.56 0.71 0.28 -0.22 -2.27 0.00 0.00 179.45 178.51 3i56 h LYS 4 N 1.10 0.79 0.00 1.90 3.64 -2.02 -2.62 116.57 119.36 3i56 h LYS 4 Ca 0.40 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.56 3i56 h LYS 4 Cb 0.14 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3i56 h LYS 4 CO -0.16 0.61 -0.61 -0.22 -2.27 0.00 0.00 179.45 176.79 3i56 h LYS 5 N 0.79 0.00 -0.00 1.90 1.63 -1.65 -3.17 116.57 116.07 3i56 h LYS 5 Ca 0.20 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 3i56 h LYS 5 Cb 0.07 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 3i56 h LYS 5 CO -0.03 0.61 -0.05 0.54 -3.45 0.00 0.00 179.45 177.07 3i56 n ARG 6 N -3.53 0.64 0.24 1.90 1.74 -0.99 -4.25 116.66 112.42 3i56 n ARG 6 Ca -0.00 -0.13 0.12 0.00 -0.77 0.00 0.00 57.85 57.06 3i56 n ARG 6 Cb 0.67 -1.50 0.55 0.00 -1.02 0.00 0.00 32.46 31.17 3i56 n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3i56 h GLN 7 N 0.32 0.00 -6.37 5.56 1.08 -1.54 -3.45 115.11 110.71 3i56 h GLN 7 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 3i56 h GLN 7 Cb 0.29 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.74 3i56 h GLN 7 CO 0.00 0.18 1.13 1.03 -0.95 0.00 0.00 178.83 180.22 3i56 s ARG 8 N -3.78 4.16 0.00 1.46 1.81 -1.26 -1.76 118.95 119.58 3i56 s ARG 8 Ca -0.00 2.45 0.00 0.00 -1.72 0.00 0.00 55.73 56.45 3i56 s ARG 8 Cb 0.11 -3.93 0.00 0.00 -0.45 0.00 0.00 34.95 30.68 3i56 s ARG 8 CO 0.61 -0.87 0.00 0.41 -0.68 0.00 0.00 175.30 174.77 3i56 n GLY 9 N 4.29 0.53 0.26 -3.53 0.00 -1.26 -4.93 105.19 100.54 3i56 n GLY 9 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3i56 n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i56 n SER 10 N 0.00 1.23 0.00 1.61 3.41 -0.72 -4.97 113.62 114.18 3i56 n SER 10 Ca 0.00 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 3i56 n SER 10 Cb 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3i56 n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3i56 n ARG 11 N -0.65 0.00 0.00 4.33 0.63 -1.26 -4.03 116.66 115.68 3i56 n ARG 11 Ca 0.10 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.17 3i56 n ARG 11 Cb 0.38 0.00 0.63 0.00 0.45 0.00 0.00 32.46 33.92 3i56 n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3i56 n THR 12 N 0.00 0.00 -3.66 5.15 -2.24 -1.26 -4.94 114.28 107.33 3i56 n THR 12 Ca 0.00 -0.01 -0.27 0.00 -2.27 0.00 0.00 64.05 61.49 3i56 n THR 12 Cb 0.00 -0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 67.87 3i56 n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3i56 n HIS 13 N -1.33 -1.83 -0.83 4.78 8.25 -1.26 -1.06 115.22 121.94 3i56 n HIS 13 Ca 0.11 0.61 0.00 0.00 -0.26 0.00 0.00 57.72 58.17 3i56 n HIS 13 Cb 0.29 -3.04 0.00 0.00 1.12 0.00 0.00 29.99 28.37 3i56 n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i56 n GLY 14 N -1.28 0.93 0.09 -1.41 0.00 -1.26 -4.92 105.19 97.33 3i56 n GLY 14 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3i56 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 15 N -2.00 -1.37 0.96 -0.02 0.00 -0.22 -5.00 105.19 97.53 3i56 n GLY 15 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3i56 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 16 N 0.50 1.08 3.80 -0.02 0.00 -1.26 -4.72 105.19 104.56 3i56 n GLY 16 Ca 0.04 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 3i56 n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i56 s SER 17 N -4.00 6.39 0.02 1.61 0.15 -1.26 -4.85 113.70 111.76 3i56 s SER 17 Ca 0.00 1.92 0.17 0.00 0.70 0.00 0.00 55.95 58.73 3i56 s SER 17 Cb 0.00 -2.56 0.71 0.00 -1.71 0.00 0.00 66.02 62.46 3i56 s SER 17 CO 0.00 -0.75 1.53 0.00 1.20 0.00 0.00 173.24 175.22 3i56 n HIS 18 N -0.93 0.07 1.49 3.44 -0.00 -1.26 -1.79 115.22 116.24 3i56 n HIS 18 Ca 0.09 0.03 0.12 0.00 -0.00 0.00 0.00 57.72 57.96 3i56 n HIS 18 Cb 0.53 -0.54 0.51 0.00 -0.00 0.00 0.00 29.99 30.48 3i56 n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3i56 n LYS 19 N -1.56 1.56 0.00 -1.40 5.02 -1.26 -4.53 118.16 115.99 3i56 n LYS 19 Ca 0.04 -0.82 0.00 0.00 -2.02 0.00 0.00 58.31 55.50 3i56 n LYS 19 Cb 0.19 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 3i56 n LYS 19 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3i56 n ASN 20 N 0.02 0.00 -4.04 4.39 3.02 -0.74 -4.66 115.26 113.25 3i56 n ASN 20 Ca 0.18 0.37 -0.35 0.00 -0.03 0.00 0.00 54.58 54.75 3i56 n ASN 20 Cb 0.29 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 38.96 3i56 n ASN 20 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i56 n ARG 21 N -1.84 1.08 0.00 3.52 1.74 -1.26 -4.73 116.66 115.16 3i56 n ARG 21 Ca 0.00 -1.88 0.00 0.00 -0.77 0.00 0.00 57.85 55.20 3i56 n ARG 21 Cb 0.00 -3.25 0.00 0.00 -1.02 0.00 0.00 32.46 28.19 3i56 n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i56 n ARG 22 N 7.75 0.00 0.00 5.56 1.74 -1.26 -5.15 116.66 125.30 3i56 n ARG 22 Ca 0.46 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 3i56 n ARG 22 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 3i56 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i56 n GLY 23 N 5.00 1.65 0.00 -0.13 0.00 -1.26 -4.97 105.19 105.48 3i56 n GLY 23 Ca 0.00 -1.82 0.07 0.00 0.00 0.00 0.00 46.02 44.27 3i56 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i56 n ALA 24 N -3.00 1.73 0.16 4.61 0.00 -1.26 -2.92 120.51 119.84 3i56 n ALA 24 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.40 3i56 n ALA 24 Cb 0.00 -1.25 0.32 0.00 0.00 0.00 0.00 19.45 18.53 3i56 n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i56 h GLY 25 N 2.58 0.06 2.00 0.00 0.00 -1.93 -0.86 103.07 104.92 3i56 h GLY 25 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 3i56 h GLY 25 CO 0.00 0.05 -0.07 0.84 0.00 0.00 0.00 176.54 177.36 3i56 h HIS 26 N 0.05 0.00 -0.00 5.60 6.17 -1.83 -2.34 115.15 122.79 3i56 h HIS 26 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3i56 h HIS 26 Cb 0.70 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.63 3i56 h HIS 26 CO 0.00 0.07 -0.86 0.54 0.71 0.00 0.00 177.93 178.39 3i56 n ARG 27 N -3.21 0.60 -2.33 5.26 1.74 -0.79 -4.98 116.66 112.95 3i56 n ARG 27 Ca 0.00 -0.15 -0.02 0.00 -0.77 0.00 0.00 57.85 56.92 3i56 n ARG 27 Cb 0.32 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3i56 n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i56 n GLY 28 N 1.45 0.59 0.00 -0.13 0.00 -0.68 -4.89 105.19 101.53 3i56 n GLY 28 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3i56 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 29 N -0.80 2.61 3.70 -0.02 0.00 -0.42 -4.65 105.19 105.62 3i56 n GLY 29 Ca -0.01 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 3i56 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i56 s ARG 30 N -3.01 4.46 6.38 1.61 0.52 -1.26 -4.71 118.95 122.93 3i56 s ARG 30 Ca 0.00 1.25 0.00 0.00 -0.52 0.00 0.00 55.73 56.46 3i56 s ARG 30 Cb 0.00 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.97 3i56 s ARG 30 CO 0.00 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.59 3i56 n GLY 31 N 3.07 1.67 0.28 -3.53 0.00 -1.26 -3.09 105.19 102.33 3i56 n GLY 31 Ca 0.05 -0.50 0.01 0.00 0.00 0.00 0.00 46.02 45.58 3i56 n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i56 n ASP 32 N 5.30 0.70 -4.65 1.61 8.00 -1.26 -4.93 116.55 121.32 3i56 n ASP 32 Ca 0.00 -2.03 -0.50 0.00 0.71 0.00 0.00 54.79 52.97 3i56 n ASP 32 Cb 0.00 -0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 40.87 3i56 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i56 n ALA 33 N -0.18 0.27 -0.76 2.24 0.00 -1.18 -2.34 120.51 118.56 3i56 n ALA 33 Ca 0.03 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3i56 n ALA 33 Cb 0.14 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.33 3i56 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i56 n GLY 34 N 3.37 0.55 0.00 0.00 0.00 -1.26 -4.76 105.19 103.09 3i56 n GLY 34 Ca 0.20 -0.63 0.03 0.00 0.00 0.00 0.00 46.02 45.61 3i56 n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i56 n ARG 35 N -2.76 0.10 0.00 1.61 -4.01 -0.99 -0.95 116.66 109.66 3i56 n ARG 35 Ca 0.00 0.18 0.00 0.00 -1.04 0.00 0.00 57.85 56.99 3i56 n ARG 35 Cb 0.00 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 27.92 3i56 n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 3i56 n ASP 36 N -1.22 0.56 0.00 2.89 5.75 -1.26 -4.06 116.55 119.21 3i56 n ASP 36 Ca 0.03 -0.81 0.00 0.00 -0.01 0.00 0.00 54.79 54.00 3i56 n ASP 36 Cb 0.04 0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 3i56 n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3i56 n LYS 37 N -0.26 0.00 0.18 0.11 4.76 -0.13 -4.84 118.16 117.98 3i56 n LYS 37 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 3i56 n LYS 37 Cb 0.03 0.00 0.50 0.00 -1.84 0.00 0.00 35.03 33.72 3i56 n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 3i56 h HIS 38 N 0.00 0.00 -0.78 2.13 2.07 -1.93 -3.27 115.15 113.37 3i56 h HIS 38 Ca 0.00 0.00 -0.46 0.00 -2.85 0.00 0.00 60.37 57.06 3i56 h HIS 38 Cb 0.00 0.00 -0.42 0.00 2.57 0.00 0.00 27.41 29.56 3i56 h HIS 38 CO 0.00 0.00 -0.92 0.39 -3.07 0.00 0.00 177.93 174.33 3i56 n GLU 39 N -2.60 2.89 0.19 5.12 1.02 -0.75 -4.85 120.64 121.66 3i56 n GLU 39 Ca 0.02 -3.97 0.04 0.00 -0.02 0.00 0.00 57.16 53.23 3i56 n GLU 39 Cb 0.32 -2.02 0.39 0.00 -0.02 0.00 0.00 31.44 30.12 3i56 n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3i56 h PHE 40 N 2.41 0.00 -1.98 -0.32 -5.15 -1.65 -3.40 116.94 106.85 3i56 h PHE 40 Ca 0.19 0.00 -0.64 0.00 -0.20 0.00 0.00 57.97 57.31 3i56 h PHE 40 Cb 1.36 0.00 0.06 0.00 0.22 0.00 0.00 35.95 37.59 3i56 h PHE 40 CO 0.72 0.34 0.49 0.72 -2.00 0.00 0.00 178.31 178.59 3i56 n HIS 41 N -4.02 1.68 -2.50 6.09 -0.00 -1.26 -2.53 115.22 112.67 3i56 n HIS 41 Ca -0.02 0.55 -0.18 0.00 -0.00 0.00 0.00 57.72 58.07 3i56 n HIS 41 Cb 0.39 -2.37 -0.00 0.00 -0.00 0.00 0.00 29.99 28.01 3i56 n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3i56 n ASN 42 N 2.51 -5.19 -4.33 0.41 5.03 -1.26 -4.99 115.26 107.44 3i56 n ASN 42 Ca 0.16 0.02 -0.32 0.00 0.87 0.00 0.00 54.58 55.32 3i56 n ASN 42 Cb 0.24 -4.33 -0.15 0.00 -1.02 0.00 0.00 39.78 34.51 3i56 n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3i56 s HIS 43 N -2.91 2.45 0.27 3.10 3.76 -1.05 -5.11 115.29 115.81 3i56 s HIS 43 Ca 0.04 -0.48 -0.30 0.00 -0.15 0.00 0.00 55.06 54.18 3i56 s HIS 43 Cb -0.02 -1.57 -0.10 0.00 1.11 0.00 0.00 32.58 32.00 3i56 s HIS 43 CO 0.05 -0.06 1.40 -1.21 -0.85 0.00 0.00 174.74 174.07 3i56 s GLU 44 N -0.46 4.29 0.56 1.40 2.02 -1.26 -4.95 118.70 120.30 3i56 s GLU 44 Ca 0.05 2.27 -0.20 0.00 0.02 0.00 0.00 54.97 57.12 3i56 s GLU 44 Cb -0.11 -3.10 -0.06 0.00 0.10 0.00 0.00 34.13 30.96 3i56 s GLU 44 CO 0.01 -0.35 1.07 -0.35 0.02 0.00 0.00 175.26 175.66 3i56 n PRO 45 N 1.88 1.15 -1.91 0.39 -0.04 -1.26 -4.96 135.00 130.25 3i56 n PRO 45 Ca 0.05 0.43 -0.39 0.00 -0.04 0.00 0.00 63.50 63.55 3i56 n PRO 45 Cb 0.41 -2.25 0.02 0.00 -0.04 0.00 0.00 33.50 31.64 3i56 n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i56 s LEU 46 N -2.19 3.99 0.00 1.53 1.43 -1.26 -4.97 118.68 117.21 3i56 s LEU 46 Ca 0.73 2.70 0.00 0.00 -1.03 0.00 0.00 54.13 56.53 3i56 s LEU 46 Cb -0.44 -4.14 0.00 0.00 0.03 0.00 0.00 46.19 41.64 3i56 s LEU 46 CO 0.49 -1.26 0.00 0.61 0.23 0.00 0.00 176.35 176.41 3i56 n GLY 47 N 0.64 3.35 3.67 -3.19 0.00 -1.26 -5.08 105.19 103.31 3i56 n GLY 47 Ca 0.08 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 3i56 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i56 s LYS 48 N -2.13 4.01 -0.14 1.61 1.02 -1.26 -5.09 119.74 117.75 3i56 s LYS 48 Ca 0.00 -0.30 -0.01 0.00 0.02 0.00 0.00 55.97 55.68 3i56 s LYS 48 Cb 0.00 -3.26 0.03 0.00 -0.52 0.00 0.00 37.83 34.08 3i56 s LYS 48 CO 0.00 0.30 -0.06 0.45 -0.92 0.00 0.00 175.35 175.12 3i56 s SER 49 N 0.30 2.52 0.56 2.83 0.15 -1.26 -5.11 113.70 113.69 3i56 s SER 49 Ca 0.05 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.20 3i56 s SER 49 Cb -0.12 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 3i56 s SER 49 CO -0.00 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.89 3i56 n GLY 50 N 4.92 -0.45 3.19 9.45 0.00 -1.26 -4.99 105.19 116.04 3i56 n GLY 50 Ca -0.12 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 3i56 n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i56 s PHE 51 N 0.00 1.05 0.05 1.61 -0.12 -1.26 -5.17 117.98 114.15 3i56 s PHE 51 Ca 0.00 -1.26 0.08 0.00 -0.05 0.00 0.00 56.93 55.70 3i56 s PHE 51 Cb 0.00 -0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 41.80 3i56 s PHE 51 CO 0.00 -0.52 -0.22 0.15 -0.05 0.00 0.00 175.22 174.58 3i56 s LYS 52 N -4.07 1.44 0.01 1.99 1.02 -1.26 -5.14 119.74 113.72 3i56 s LYS 52 Ca 0.30 -1.02 -0.08 0.00 0.02 0.00 0.00 55.97 55.20 3i56 s LYS 52 Cb 0.07 -1.60 -0.05 0.00 -0.52 0.00 0.00 37.83 35.73 3i56 s LYS 52 CO 0.06 0.40 0.29 1.03 -0.92 0.00 0.00 175.35 176.22 3i56 s ARG 53 N -1.32 3.62 0.24 1.68 0.52 -1.26 -5.05 118.95 117.37 3i56 s ARG 53 Ca 0.08 -0.01 -0.31 0.00 -0.52 0.00 0.00 55.73 54.97 3i56 s ARG 53 Cb -0.09 -3.09 -0.13 0.00 0.52 0.00 0.00 34.95 32.16 3i56 s ARG 53 CO 0.02 0.65 1.56 -0.35 0.02 0.00 0.00 175.30 177.20 3i56 n PRO 54 N 1.21 2.40 -0.38 3.54 -0.04 -1.26 -4.91 135.00 135.56 3i56 n PRO 54 Ca -0.12 0.86 0.31 0.00 -0.04 0.00 0.00 63.50 64.51 3i56 n PRO 54 Cb 0.53 -2.61 0.58 0.00 -0.04 0.00 0.00 33.50 31.95 3i56 n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3i56 h GLN 55 N 5.19 0.18 -0.02 0.54 4.20 -1.96 -0.63 115.11 122.60 3i56 h GLN 55 Ca -0.45 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.25 3i56 h GLN 55 Cb 1.24 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.98 3i56 h GLN 55 CO 0.83 0.12 0.00 0.36 -0.67 0.00 0.00 178.83 179.47 3i56 n LYS 56 N -4.83 1.19 -0.06 1.46 2.85 -1.26 -2.77 118.16 114.73 3i56 n LYS 56 Ca 0.34 -0.27 0.04 0.00 -1.05 0.00 0.00 58.31 57.37 3i56 n LYS 56 Cb 1.21 -1.41 0.07 0.00 -0.65 0.00 0.00 35.03 34.25 3i56 n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3i56 n VAL 57 N -0.59 0.43 -3.54 0.58 0.31 -0.25 -4.97 118.33 110.29 3i56 n VAL 57 Ca 0.19 -0.71 -0.37 0.00 -0.01 0.00 0.00 64.34 63.43 3i56 n VAL 57 Cb 0.16 0.89 -0.08 0.00 -0.91 0.00 0.00 33.84 33.89 3i56 n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3i56 s GLN 58 N -0.84 4.15 -0.21 5.55 -0.21 -1.11 -5.00 119.66 121.99 3i56 s GLN 58 Ca 0.13 -0.03 -0.12 0.00 0.02 0.00 0.00 55.36 55.36 3i56 s GLN 58 Cb 0.08 -3.51 -0.05 0.00 1.00 0.00 0.00 33.01 30.54 3i56 s GLN 58 CO 0.11 0.08 0.23 -1.21 -2.12 0.00 0.00 175.29 172.38 3i56 s GLU 59 N 0.99 4.16 -0.27 2.91 2.02 -1.26 -5.04 118.70 122.20 3i56 s GLU 59 Ca 0.13 -0.09 -0.07 0.00 0.02 0.00 0.00 54.97 54.96 3i56 s GLU 59 Cb -0.14 -3.49 -0.01 0.00 0.10 0.00 0.00 34.13 30.59 3i56 s GLU 59 CO 0.05 0.13 0.07 -2.00 0.02 0.00 0.00 175.26 173.52 3i56 s GLU 60 N 0.84 3.38 0.02 1.61 2.12 -1.26 -5.01 118.70 120.41 3i56 s GLU 60 Ca 0.12 -0.66 -0.13 0.00 0.36 0.00 0.00 54.97 54.66 3i56 s GLU 60 Cb -0.13 -3.32 -0.06 0.00 0.26 0.00 0.00 34.13 30.88 3i56 s GLU 60 CO 0.04 -0.30 0.40 0.00 -0.54 0.00 0.00 175.26 174.85 3i56 s ALA 61 N 1.55 3.71 -0.53 6.30 0.00 -1.26 -1.01 121.76 130.53 3i56 s ALA 61 Ca 0.05 -0.29 -0.17 0.00 0.00 0.00 0.00 51.96 51.55 3i56 s ALA 61 Cb -0.16 -2.33 0.09 0.00 0.00 0.00 0.00 23.12 20.72 3i56 s ALA 61 CO 0.03 0.52 0.55 0.00 0.00 0.00 0.00 175.76 176.85 3i56 s ALA 62 N -1.19 3.50 0.14 0.00 0.00 0.23 -4.97 121.76 119.47 3i56 s ALA 62 Ca 0.27 -2.16 -0.03 0.00 0.00 0.00 0.00 51.96 50.04 3i56 s ALA 62 Cb -0.15 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 3i56 s ALA 62 CO 0.15 -2.02 0.35 0.95 0.00 0.00 0.00 175.76 175.18 3i56 s THR 63 N 2.13 5.21 -0.14 0.00 -4.23 -1.26 -1.62 115.64 115.73 3i56 s THR 63 Ca 0.08 -0.11 -0.15 0.00 -1.18 0.00 0.00 61.69 60.34 3i56 s THR 63 Cb -0.24 -3.64 0.04 0.00 1.34 0.00 0.00 72.50 69.99 3i56 s THR 63 CO 0.07 0.02 0.41 -0.51 -0.54 0.00 0.00 174.62 174.07 3i56 s ILE 64 N -1.67 0.00 0.20 2.99 2.07 -0.97 -4.99 121.20 118.83 3i56 s ILE 64 Ca 0.40 -0.03 -0.07 0.00 -1.41 0.00 0.00 60.65 59.53 3i56 s ILE 64 Cb -0.12 -0.59 -0.06 0.00 0.13 0.00 0.00 42.46 41.82 3i56 s ILE 64 CO 0.26 -0.02 0.48 -1.81 -1.91 0.00 0.00 174.94 171.94 3i56 s ASP 65 N 0.08 6.56 0.55 4.50 1.01 -1.26 0.39 116.67 128.50 3i56 s ASP 65 Ca -0.01 0.77 0.23 0.00 0.71 0.00 0.00 52.55 54.25 3i56 s ASP 65 Cb -0.03 -2.17 1.51 0.00 1.01 0.00 0.00 42.92 43.25 3i56 s ASP 65 CO 0.01 -0.03 2.16 -0.37 0.21 0.00 0.00 175.17 177.14 3i56 h VAL 66 N 1.97 0.74 -0.92 -1.27 -1.51 -1.49 -2.16 116.25 111.62 3i56 h VAL 66 Ca -0.47 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.02 3i56 h VAL 66 Cb 1.17 0.94 -0.05 0.00 -2.13 0.00 0.00 31.29 31.22 3i56 h VAL 66 CO 0.70 0.00 0.61 -0.09 -1.23 0.00 0.00 177.57 177.56 3i56 h ARG 67 N 0.00 1.18 -0.05 5.19 2.43 -1.73 -0.60 114.38 120.80 3i56 h ARG 67 Ca 0.04 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 3i56 h ARG 67 Cb 0.20 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3i56 h ARG 67 CO -0.00 0.78 -0.70 1.49 -1.51 0.00 0.00 179.97 180.03 3i56 h GLU 68 N 1.21 0.27 0.11 0.20 4.81 -1.70 -1.95 114.58 117.53 3i56 h GLU 68 Ca 0.35 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3i56 h GLU 68 Cb -0.08 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3i56 h GLU 68 CO -0.09 0.86 -0.05 0.82 -0.73 0.00 0.00 179.01 179.82 3i56 h ILE 69 N 0.18 1.08 -0.07 2.32 2.04 -1.49 -3.21 117.51 118.36 3i56 h ILE 69 Ca -0.02 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.63 3i56 h ILE 69 Cb 1.25 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 39.12 3i56 h ILE 69 CO 0.11 0.27 0.03 -0.78 0.00 0.00 0.00 178.15 177.78 3i56 h ASP 70 N -0.76 0.08 1.63 1.72 3.58 -1.15 -2.22 116.42 119.30 3i56 h ASP 70 Ca -0.01 -0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.37 3i56 h ASP 70 Cb 0.56 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 3i56 h ASP 70 CO 0.02 0.08 -0.29 -0.33 -2.88 0.00 0.00 179.24 175.84 3i56 h GLU 71 N 0.10 0.00 -0.16 0.28 5.08 -1.44 -3.33 114.58 115.11 3i56 h GLU 71 Ca 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3i56 h GLU 71 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3i56 h GLU 71 CO -0.00 0.29 -0.03 0.09 -1.00 0.00 0.00 179.01 178.36 3i56 n ASN 72 N -3.19 3.06 -0.33 1.42 3.02 -0.86 -4.79 115.26 113.59 3i56 n ASN 72 Ca 0.03 -3.17 -0.04 0.00 -0.03 0.00 0.00 54.58 51.37 3i56 n ASN 72 Cb 0.63 -0.51 0.09 0.00 -0.61 0.00 0.00 39.78 39.38 3i56 n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3i56 h VAL 73 N 1.01 1.26 -0.01 2.41 -1.51 -1.61 -0.04 116.25 117.75 3i56 h VAL 73 Ca 0.02 -0.62 -0.17 0.00 -1.23 0.00 0.00 66.70 64.71 3i56 h VAL 73 Cb 1.28 0.04 -0.02 0.00 -2.13 0.00 0.00 31.29 30.46 3i56 h VAL 73 CO 0.15 0.28 -0.76 0.71 -1.23 0.00 0.00 177.57 176.72 3i56 h THR 74 N 1.24 1.50 0.00 7.19 1.35 -1.89 -3.01 112.91 119.29 3i56 h THR 74 Ca 0.32 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 3i56 h THR 74 Cb 0.01 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 3i56 h THR 74 CO -0.05 0.71 0.00 -0.07 -0.25 0.00 0.00 175.52 175.86 3i56 h LEU 75 N 0.06 0.00 -4.96 3.87 3.38 -1.83 -3.23 115.31 112.60 3i56 h LEU 75 Ca -0.02 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.32 3i56 h LEU 75 Cb 1.34 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.88 3i56 h LEU 75 CO 0.11 0.00 0.90 0.18 0.09 0.00 0.00 178.44 179.72 3i56 n LEU 76 N -2.87 7.06 0.10 1.67 4.77 -0.05 -4.61 117.00 123.07 3i56 n LEU 76 Ca 0.04 -4.51 0.11 0.00 -0.03 0.00 0.00 56.01 51.62 3i56 n LEU 76 Cb 0.46 -1.20 0.45 0.00 -2.33 0.00 0.00 43.42 40.81 3i56 n LEU 76 CO 0.32 1.81 0.84 0.00 -1.33 0.00 0.00 177.39 179.02 3i56 n ALA 77 N 0.49 1.73 1.63 -1.18 0.00 -1.22 -2.64 120.51 119.32 3i56 n ALA 77 Ca 0.52 0.05 0.01 0.00 0.00 0.00 0.00 53.44 54.01 3i56 n ALA 77 Cb 0.39 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.50 3i56 n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i56 n ALA 78 N -1.72 2.51 -2.49 0.00 0.00 -1.26 -4.81 120.51 112.75 3i56 n ALA 78 Ca 0.03 -0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 3i56 n ALA 78 Cb 0.24 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 3i56 n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i56 s ASP 79 N -0.77 2.63 0.09 0.00 1.01 -1.08 -5.13 116.67 113.41 3i56 s ASP 79 Ca 0.03 -1.44 -0.31 0.00 0.71 0.00 0.00 52.55 51.54 3i56 s ASP 79 Cb 0.02 0.02 -0.08 0.00 1.01 0.00 0.00 42.92 43.89 3i56 s ASP 79 CO 0.02 -0.66 1.51 -1.81 0.21 0.00 0.00 175.17 174.43 3i56 s ASP 80 N -3.54 6.71 -0.81 0.27 1.11 -1.21 -5.00 116.67 114.20 3i56 s ASP 80 Ca 0.33 2.39 -0.07 0.00 0.18 0.00 0.00 52.55 55.38 3i56 s ASP 80 Cb 0.07 -2.58 0.21 0.00 1.07 0.00 0.00 42.92 41.70 3i56 s ASP 80 CO 0.15 -0.77 0.70 -0.69 1.18 0.00 0.00 175.17 175.74 3i56 s VAL 81 N 1.82 4.75 0.00 -1.27 1.01 -1.26 -1.38 120.40 124.08 3i56 s VAL 81 Ca 0.68 -3.07 0.00 0.00 0.00 0.00 0.00 61.98 59.60 3i56 s VAL 81 Cb -0.38 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.03 3i56 s VAL 81 CO 0.30 -1.01 0.00 0.00 0.00 0.00 0.00 175.10 174.39 3i56 n ALA 82 N 3.28 0.00 0.00 5.51 0.00 -1.26 -4.89 120.51 123.15 3i56 n ALA 82 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3i56 n ALA 82 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3i56 n ALA 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3i56 n GLU 83 N -0.32 0.00 -3.18 0.00 0.28 -1.26 -4.94 120.64 111.22 3i56 n GLU 83 Ca 0.00 0.13 -0.39 0.00 -0.16 0.00 0.00 57.16 56.74 3i56 n GLU 83 Cb 0.00 -1.55 -0.06 0.00 1.43 0.00 0.00 31.44 31.26 3i56 n GLU 83 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3i56 s PHE 89 N -2.08 3.69 -0.13 -1.84 0.40 -0.95 -5.14 117.98 111.93 3i56 s PHE 89 Ca 0.00 1.24 0.00 0.00 -0.60 0.00 0.00 56.93 57.57 3i56 s PHE 89 Cb 0.00 -2.63 0.02 0.00 0.51 0.00 0.00 43.02 40.92 3i56 s PHE 89 CO 0.00 0.35 -0.12 0.50 0.70 0.00 0.00 175.22 176.65 3i56 s ARG 90 N -0.21 1.98 -0.05 0.44 3.52 -0.48 -0.93 118.95 123.23 3i56 s ARG 90 Ca 0.32 -0.44 -0.02 0.00 -0.13 0.00 0.00 55.73 55.46 3i56 s ARG 90 Cb -0.19 -1.87 0.04 0.00 -1.56 0.00 0.00 34.95 31.37 3i56 s ARG 90 CO 0.18 -0.23 0.11 0.54 -0.81 0.00 0.00 175.30 175.09 3i56 s VAL 91 N 1.51 -0.05 -0.46 7.11 0.11 -0.72 -3.33 120.40 124.56 3i56 s VAL 91 Ca 0.03 0.19 -0.25 0.00 -2.93 0.00 0.00 61.98 59.03 3i56 s VAL 91 Cb -0.13 -0.19 0.03 0.00 -1.53 0.00 0.00 36.38 34.56 3i56 s VAL 91 CO -0.09 0.08 0.88 -0.62 -3.33 0.00 0.00 175.10 172.03 3i56 s ASP 92 N 1.14 6.47 0.59 3.54 2.15 -1.26 -2.47 116.67 126.83 3i56 s ASP 92 Ca -0.09 0.04 0.29 0.00 0.43 0.00 0.00 52.55 53.21 3i56 s ASP 92 Cb -0.12 -2.43 1.65 0.00 -0.30 0.00 0.00 42.92 41.72 3i56 s ASP 92 CO -0.05 -1.01 2.09 0.58 -0.17 0.00 0.00 175.17 176.61 3i56 h VAL 93 N 6.05 0.47 0.00 1.11 2.07 -1.54 -2.48 116.25 121.92 3i56 h VAL 93 Ca -0.24 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3i56 h VAL 93 Cb 1.08 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3i56 h VAL 93 CO 1.01 0.00 -0.00 0.03 0.02 0.00 0.00 177.57 178.62 3i56 h ARG 94 N 0.00 0.00 0.00 1.57 3.08 -1.92 -0.85 114.38 116.26 3i56 h ARG 94 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3i56 h ARG 94 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3i56 h ARG 94 CO -0.00 0.00 -1.24 -0.25 -1.07 0.00 0.00 179.97 177.41 3i56 n ASP 95 N -3.20 0.67 -0.06 7.04 8.00 -0.93 -4.48 116.55 123.58 3i56 n ASP 95 Ca -0.03 -0.60 -0.21 0.00 0.71 0.00 0.00 54.79 54.66 3i56 n ASP 95 Cb 0.09 1.20 -0.13 0.00 -0.02 0.00 0.00 41.12 42.26 3i56 n ASP 95 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3i56 h VAL 96 N 0.00 0.95 -3.31 2.53 2.07 -1.28 -3.47 116.25 113.73 3i56 h VAL 96 Ca 0.00 -2.27 -0.52 0.00 0.82 0.00 0.00 66.70 64.73 3i56 h VAL 96 Cb 0.66 2.46 0.03 0.00 -1.52 0.00 0.00 31.29 32.92 3i56 h VAL 96 CO 0.00 0.53 0.65 -0.69 0.02 0.00 0.00 177.57 178.08 3i56 s VAL 97 N -2.41 3.31 0.44 2.57 1.01 -0.99 -5.03 120.40 119.30 3i56 s VAL 97 Ca -0.25 1.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 3i56 s VAL 97 Cb 0.05 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.70 3i56 s VAL 97 CO 0.67 0.14 0.83 -1.61 0.00 0.00 0.00 175.10 175.13 3i56 s GLU 98 N 0.16 3.80 -1.80 2.72 2.02 -1.26 -3.85 118.70 120.49 3i56 s GLU 98 Ca 0.58 0.58 0.00 0.00 0.02 0.00 0.00 54.97 56.15 3i56 s GLU 98 Cb -0.36 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.55 3i56 s GLU 98 CO 0.36 -0.12 0.00 0.39 0.02 0.00 0.00 175.26 175.91 3i56 n GLU 99 N -1.46 -1.57 0.09 1.61 1.02 -1.26 -4.91 120.64 114.15 3i56 n GLU 99 Ca 0.03 1.02 -0.22 0.00 -0.02 0.00 0.00 57.16 57.97 3i56 n GLU 99 Cb 0.54 -5.59 -0.14 0.00 -0.02 0.00 0.00 31.44 26.22 3i56 n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i56 h ALA 100 N 0.79 -0.07 -0.40 0.62 0.00 -1.91 -3.34 119.26 114.95 3i56 h ALA 100 Ca -0.47 -0.75 -0.05 0.00 0.00 0.00 0.00 54.91 53.64 3i56 h ALA 100 Cb 1.35 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 3i56 h ALA 100 CO 0.57 0.56 0.04 0.38 0.00 0.00 0.00 179.25 180.81 3i56 h ASP 101 N 0.02 0.57 -0.31 0.00 2.03 -1.90 -3.01 116.42 113.82 3i56 h ASP 101 Ca -0.18 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 3i56 h ASP 101 Cb 1.85 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 40.21 3i56 h ASP 101 CO 0.21 0.61 0.00 -0.90 -1.03 0.00 0.00 179.24 178.13 3i56 n ASP 102 N -4.29 1.91 -4.66 4.15 5.75 -1.26 -4.88 116.55 113.27 3i56 n ASP 102 Ca 0.02 -1.90 -0.24 0.00 -0.01 0.00 0.00 54.79 52.66 3i56 n ASP 102 Cb 0.23 -0.20 -0.07 0.00 -1.03 0.00 0.00 41.12 40.05 3i56 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i56 s ALA 103 N -1.60 3.27 0.01 2.12 0.00 -1.14 -5.05 121.76 119.37 3i56 s ALA 103 Ca 0.28 -1.81 -0.25 0.00 0.00 0.00 0.00 51.96 50.18 3i56 s ALA 103 Cb 0.15 -0.62 -0.19 0.00 0.00 0.00 0.00 23.12 22.46 3i56 s ALA 103 CO 0.20 0.13 1.38 0.22 0.00 0.00 0.00 175.76 177.69 3i56 h ASP 104 N 1.77 -0.02 -5.19 0.00 1.82 -1.36 -3.48 116.42 109.96 3i56 h ASP 104 Ca -0.43 -0.35 -0.08 0.00 -0.39 0.00 0.00 57.03 55.77 3i56 h ASP 104 Cb 1.25 0.01 -0.12 0.00 0.68 0.00 0.00 39.33 41.14 3i56 h ASP 104 CO 0.63 0.34 -0.25 -0.72 -1.61 0.00 0.00 179.24 177.63 3i56 s TYR 105 N -4.75 0.20 -0.28 0.28 -0.85 -1.25 -5.05 117.35 105.65 3i56 s TYR 105 Ca -0.15 -0.57 -0.08 0.00 -0.52 0.00 0.00 57.07 55.75 3i56 s TYR 105 Cb 0.03 0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.40 3i56 s TYR 105 CO 0.66 -0.71 0.10 0.08 -1.52 0.00 0.00 175.55 174.16 3i56 s VAL 106 N -3.91 4.38 -0.09 -3.49 1.01 -1.26 -0.60 120.40 116.44 3i56 s VAL 106 Ca 0.12 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3i56 s VAL 106 Cb 0.03 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 3i56 s VAL 106 CO -0.04 0.21 -0.12 -0.75 0.00 0.00 0.00 175.10 174.39 3i56 s LYS 107 N 1.60 2.99 -0.25 2.72 2.20 -0.64 -2.20 119.74 126.16 3i56 s LYS 107 Ca 0.05 -0.67 -0.09 0.00 -0.36 0.00 0.00 55.97 54.90 3i56 s LYS 107 Cb -0.16 -2.54 -0.04 0.00 -1.51 0.00 0.00 37.83 33.57 3i56 s LYS 107 CO 0.04 0.42 0.13 0.08 -0.36 0.00 0.00 175.35 175.67 3i56 s VAL 108 N -0.18 4.97 0.18 4.02 1.01 -0.60 -2.29 120.40 127.51 3i56 s VAL 108 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 3i56 s VAL 108 Cb -0.13 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 3i56 s VAL 108 CO 0.03 0.32 0.38 -0.76 0.00 0.00 0.00 175.10 175.07 3i56 s LEU 109 N 1.43 4.24 -0.93 3.92 1.43 0.16 -2.90 118.68 126.02 3i56 s LEU 109 Ca 0.06 0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.59 3i56 s LEU 109 Cb -0.15 -3.20 0.29 0.00 0.03 0.00 0.00 46.19 43.16 3i56 s LEU 109 CO 0.06 -0.01 2.05 0.61 0.23 0.00 0.00 176.35 179.29 3i56 n GLY 110 N -0.45 5.65 3.32 -3.19 0.00 -1.26 -1.78 105.19 107.48 3i56 n GLY 110 Ca -0.04 -2.42 -0.35 0.00 0.00 0.00 0.00 46.02 43.21 3i56 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i56 s ALA 111 N -3.68 2.78 0.00 4.61 0.00 -1.26 -4.70 121.76 119.50 3i56 s ALA 111 Ca 0.47 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.32 3i56 s ALA 111 Cb 0.30 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.82 3i56 s ALA 111 CO -0.25 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.63 3i56 n GLY 112 N 4.54 0.14 3.57 0.00 0.00 -1.26 -3.17 105.19 109.02 3i56 n GLY 112 Ca -0.18 -2.18 -0.25 0.00 0.00 0.00 0.00 46.02 43.41 3i56 n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i56 s GLN 113 N 0.00 1.94 -0.37 1.61 -0.21 -1.26 -4.92 119.66 116.45 3i56 s GLN 113 Ca 0.00 -1.77 0.01 0.00 0.02 0.00 0.00 55.36 53.62 3i56 s GLN 113 Cb 0.00 -1.86 0.11 0.00 1.00 0.00 0.00 33.01 32.27 3i56 s GLN 113 CO 0.00 0.20 0.14 0.08 -2.12 0.00 0.00 175.29 173.60 3i56 s VAL 114 N -2.52 1.34 -2.22 1.09 1.01 -1.26 -4.28 120.40 113.56 3i56 s VAL 114 Ca 0.33 -2.01 0.19 0.00 0.00 0.00 0.00 61.98 60.48 3i56 s VAL 114 Cb -0.01 -1.98 0.43 0.00 0.00 0.00 0.00 36.38 34.82 3i56 s VAL 114 CO 0.18 -0.74 1.50 0.54 0.00 0.00 0.00 175.10 176.58 3i56 n ARG 115 N 4.25 1.71 -4.38 2.72 1.74 -1.26 -4.80 116.66 116.63 3i56 n ARG 115 Ca 0.03 -1.07 -0.19 0.00 -0.77 0.00 0.00 57.85 55.85 3i56 n ARG 115 Cb 0.39 -1.37 -0.10 0.00 -1.02 0.00 0.00 32.46 30.36 3i56 n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3i56 s HIS 116 N -1.76 1.75 -0.56 -1.55 3.76 -1.26 -5.11 115.29 110.57 3i56 s HIS 116 Ca 0.30 -0.92 -0.17 0.00 -0.15 0.00 0.00 55.06 54.13 3i56 s HIS 116 Cb 0.16 -1.06 0.12 0.00 1.11 0.00 0.00 32.58 32.91 3i56 s HIS 116 CO 0.24 0.01 0.56 -1.83 -0.85 0.00 0.00 174.74 172.87 3i56 s GLU 117 N -3.86 3.01 0.02 1.40 -1.05 -1.26 -4.84 118.70 112.12 3i56 s GLU 117 Ca 0.32 -1.58 0.01 0.00 -0.15 0.00 0.00 54.97 53.57 3i56 s GLU 117 Cb 0.06 -4.29 -0.04 0.00 -0.44 0.00 0.00 34.13 29.43 3i56 s GLU 117 CO 0.12 -1.39 0.07 -0.51 0.95 0.00 0.00 175.26 174.50 3i56 s LEU 118 N 1.95 3.83 -0.43 1.83 1.43 -1.26 -2.24 118.68 123.79 3i56 s LEU 118 Ca 0.06 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 3i56 s LEU 118 Cb -0.28 -2.32 0.12 0.00 0.03 0.00 0.00 46.19 43.74 3i56 s LEU 118 CO 0.04 0.24 0.17 -0.89 0.23 0.00 0.00 176.35 176.14 3i56 s THR 119 N -1.25 2.17 -0.14 5.49 2.01 -0.10 -2.60 115.64 121.22 3i56 s THR 119 Ca 0.25 -2.71 -0.12 0.00 0.31 0.00 0.00 61.69 59.42 3i56 s THR 119 Cb -0.12 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 3i56 s THR 119 CO 0.16 -0.73 0.25 -0.76 -0.69 0.00 0.00 174.62 172.85 3i56 s LEU 120 N 0.38 4.29 -0.20 4.42 1.43 -1.07 -1.76 118.68 126.18 3i56 s LEU 120 Ca 0.14 0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.74 3i56 s LEU 120 Cb -0.23 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.71 3i56 s LEU 120 CO -0.05 0.20 -0.15 -0.63 0.23 0.00 0.00 176.35 175.95 3i56 s ILE 121 N -0.01 2.50 0.32 -0.59 1.01 -1.03 -1.11 121.20 122.29 3i56 s ILE 121 Ca 0.16 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.91 3i56 s ILE 121 Cb -0.13 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.26 3i56 s ILE 121 CO 0.04 0.49 0.56 0.00 0.00 0.00 0.00 174.94 176.03 3i56 s ALA 122 N 1.35 0.01 0.02 9.38 0.00 -1.09 -1.19 121.76 130.24 3i56 s ALA 122 Ca 0.05 -1.09 -0.17 0.00 0.00 0.00 0.00 51.96 50.75 3i56 s ALA 122 Cb -0.14 1.00 -0.33 0.00 0.00 0.00 0.00 23.12 23.66 3i56 s ALA 122 CO -0.10 -0.87 1.00 -0.44 0.00 0.00 0.00 175.76 175.36 3i56 h ASP 123 N 2.12 0.76 -4.63 0.00 3.32 -1.79 -2.76 116.42 113.45 3i56 h ASP 123 Ca -0.28 -0.90 -0.20 0.00 0.02 0.00 0.00 57.03 55.67 3i56 h ASP 123 Cb 1.25 -0.24 -0.23 0.00 0.22 0.00 0.00 39.33 40.32 3i56 h ASP 123 CO 0.37 1.60 -0.71 -0.62 -1.72 0.00 0.00 179.24 178.16 3i56 s ASP 124 N -7.37 0.28 0.07 6.45 2.15 -0.94 -4.32 116.67 113.00 3i56 s ASP 124 Ca -0.10 -0.38 0.03 0.00 0.43 0.00 0.00 52.55 52.53 3i56 s ASP 124 Cb 0.04 0.06 -0.03 0.00 -0.30 0.00 0.00 42.92 42.69 3i56 s ASP 124 CO 0.91 -0.21 -0.09 -0.36 -0.17 0.00 0.00 175.17 175.26 3i56 s PHE 125 N -1.07 0.91 0.46 -5.34 0.40 -1.26 -1.55 117.98 110.53 3i56 s PHE 125 Ca -0.11 -0.62 0.04 0.00 -0.60 0.00 0.00 56.93 55.64 3i56 s PHE 125 Cb -0.07 -0.52 0.01 0.00 0.51 0.00 0.00 43.02 42.95 3i56 s PHE 125 CO -0.01 -0.05 0.64 -1.54 0.70 0.00 0.00 175.22 174.97 3i56 s SER 126 N -2.16 5.61 0.26 1.36 1.04 -1.14 -4.97 113.70 113.70 3i56 s SER 126 Ca 0.00 -0.12 -0.00 0.00 0.48 0.00 0.00 55.95 56.30 3i56 s SER 126 Cb -0.05 -0.97 0.35 0.00 0.10 0.00 0.00 66.02 65.45 3i56 s SER 126 CO -0.00 -0.83 1.73 -0.08 0.98 0.00 0.00 173.24 175.04 3i56 h GLU 127 N 0.45 0.66 0.00 4.02 4.81 -2.00 -2.44 114.58 120.08 3i56 h GLU 127 Ca -0.43 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 58.53 3i56 h GLU 127 Cb 1.28 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 3i56 h GLU 127 CO 0.51 0.77 -0.27 0.78 -0.73 0.00 0.00 179.01 180.06 3i56 h GLY 128 N 0.97 0.00 1.32 1.92 0.00 -1.95 -2.42 103.07 102.90 3i56 h GLY 128 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.17 3i56 h GLY 128 CO 0.04 0.00 -1.09 0.00 0.00 0.00 0.00 176.54 175.49 3i56 h ALA 129 N 1.73 0.15 0.24 3.60 0.00 -1.76 -2.86 119.26 120.35 3i56 h ALA 129 Ca -0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 3i56 h ALA 129 Cb 0.97 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3i56 h ALA 129 CO 0.04 0.73 -0.12 0.00 0.00 0.00 0.00 179.25 179.90 3i56 h ARG 130 N 0.31 -0.31 -0.70 0.00 3.08 -1.39 -2.87 114.38 112.50 3i56 h ARG 130 Ca -0.13 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.05 3i56 h ARG 130 Cb 1.74 0.07 -0.08 0.00 0.08 0.00 0.00 29.97 31.78 3i56 h ARG 130 CO 0.20 0.02 0.29 0.93 -1.07 0.00 0.00 179.97 180.34 3i56 h GLU 131 N -0.69 0.46 0.00 0.04 5.08 -1.54 -0.04 114.58 117.90 3i56 h GLU 131 Ca -0.03 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 3i56 h GLU 131 Cb 0.48 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3i56 h GLU 131 CO 0.05 0.30 -0.59 0.87 -1.00 0.00 0.00 179.01 178.64 3i56 h LYS 132 N 0.47 0.00 0.19 2.33 1.57 -1.56 0.52 116.57 120.09 3i56 h LYS 132 Ca 0.36 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.86 3i56 h LYS 132 Cb 0.48 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.81 3i56 h LYS 132 CO -0.34 0.59 -1.29 0.28 -0.57 0.00 0.00 179.45 178.12 3i56 h VAL 133 N 0.00 1.27 0.00 0.50 2.07 -1.17 -3.25 116.25 115.67 3i56 h VAL 133 Ca -0.01 -2.58 -0.09 0.00 0.82 0.00 0.00 66.70 64.85 3i56 h VAL 133 Cb 1.06 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.83 3i56 h VAL 133 CO 0.08 0.77 -0.41 -0.33 0.02 0.00 0.00 177.57 177.70 3i56 h GLU 134 N -0.09 0.00 0.00 1.57 5.08 -1.03 -1.12 114.58 118.98 3i56 h GLU 134 Ca -0.24 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3i56 h GLU 134 Cb 1.93 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.18 3i56 h GLU 134 CO 0.19 0.41 -0.10 0.78 -1.00 0.00 0.00 179.01 179.29 3i56 h GLY 135 N 1.88 0.00 -3.62 -3.84 0.00 -0.97 -3.21 103.07 93.30 3i56 h GLY 135 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3i56 h GLY 135 CO 0.05 0.00 -0.75 0.00 0.00 0.00 0.00 176.54 175.85 3i56 n ALA 136 N -2.14 5.00 -2.50 3.60 0.00 -1.19 -4.98 120.51 118.30 3i56 n ALA 136 Ca 0.02 -3.75 -0.06 0.00 0.00 0.00 0.00 53.44 49.64 3i56 n ALA 136 Cb 0.45 -0.37 0.03 0.00 0.00 0.00 0.00 19.45 19.56 3i56 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i56 n GLY 137 N -0.74 -0.48 3.61 0.00 0.00 -1.21 -4.18 105.19 102.19 3i56 n GLY 137 Ca 0.43 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 46.58 3i56 n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i56 s GLY 138 N -3.04 0.56 0.18 -0.02 0.00 -0.43 -4.40 107.32 100.16 3i56 s GLY 138 Ca 0.19 -0.88 0.11 0.00 0.00 0.00 0.00 44.72 44.14 3i56 s GLY 138 CO 0.44 -0.60 -0.23 -1.35 0.00 0.00 0.00 173.10 171.36 3i56 s SER 139 N -3.03 3.25 -0.22 1.64 1.04 -1.07 -3.86 113.70 111.44 3i56 s SER 139 Ca 0.22 -0.84 0.02 0.00 0.48 0.00 0.00 55.95 55.82 3i56 s SER 139 Cb -0.01 -0.23 0.04 0.00 0.10 0.00 0.00 66.02 65.92 3i56 s SER 139 CO 0.10 0.10 -0.15 -0.69 0.98 0.00 0.00 173.24 173.58 3i56 s VAL 140 N -1.63 2.14 -0.18 5.02 1.01 -1.26 -2.58 120.40 122.91 3i56 s VAL 140 Ca 0.18 -1.30 -0.05 0.00 0.00 0.00 0.00 61.98 60.81 3i56 s VAL 140 Cb -0.08 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 3i56 s VAL 140 CO 0.09 0.23 -0.01 -1.61 0.00 0.00 0.00 175.10 173.80 3i56 s GLU 141 N 1.19 3.67 0.08 2.72 2.02 -0.27 -5.02 118.70 123.10 3i56 s GLU 141 Ca -0.02 -0.50 -0.15 0.00 0.02 0.00 0.00 54.97 54.32 3i56 s GLU 141 Cb -0.17 -3.02 -0.06 0.00 0.10 0.00 0.00 34.13 30.98 3i56 s GLU 141 CO -0.09 0.13 0.48 -1.17 0.02 0.00 0.00 175.26 174.64 3i56 s LEU 142 N 0.68 4.42 0.95 1.80 2.96 -1.26 -2.67 118.68 125.57 3i56 s LEU 142 Ca -0.01 1.03 -0.15 0.00 -0.22 0.00 0.00 54.13 54.78 3i56 s LEU 142 Cb -0.14 -2.94 0.18 0.00 0.50 0.00 0.00 46.19 43.79 3i56 s LEU 142 CO 0.02 0.22 1.24 -0.89 -1.32 0.00 0.00 176.35 175.62 3i56 s THR 143 N -1.27 1.95 0.14 3.68 2.01 -1.04 -4.90 115.64 116.21 3i56 s THR 143 Ca 0.31 0.00 0.22 0.00 0.31 0.00 0.00 61.69 62.53 3i56 s THR 143 Cb -0.16 -2.90 0.21 0.00 0.01 0.00 0.00 72.50 69.66 3i56 s THR 143 CO 0.17 0.00 1.80 0.44 -0.69 0.00 0.00 174.62 176.34 3i56 h ASP 144 N -1.62 0.00 0.72 3.53 3.32 -1.98 -1.88 116.42 118.51 3i56 h ASP 144 Ca -0.46 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.34 3i56 h ASP 144 Cb 1.28 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.80 3i56 h ASP 144 CO 0.47 0.26 -1.30 0.25 -1.72 0.00 0.00 179.24 177.20 3i56 h LEU 145 N 0.00 0.13 0.00 1.55 6.46 -1.95 -3.29 115.31 118.21 3i56 h LEU 145 Ca -0.00 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 3i56 h LEU 145 Cb 0.79 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.68 3i56 h LEU 145 CO 0.03 1.14 0.00 0.61 -0.62 0.00 0.00 178.44 179.61 3i56 n GLY 146 N 1.49 -0.83 2.26 3.75 0.00 -0.73 -4.15 105.19 106.98 3i56 n GLY 146 Ca -0.08 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 3i56 n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i56 n GLU 147 N -1.24 3.07 -0.00 1.61 1.02 -1.10 -4.08 120.64 119.91 3i56 n GLU 147 Ca 0.09 -2.02 0.05 0.00 -0.02 0.00 0.00 57.16 55.26 3i56 n GLU 147 Cb 0.13 -2.40 -0.07 0.00 -0.02 0.00 0.00 31.44 29.09 3i56 n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3i56 n GLU 148 N 2.49 1.48 -2.17 3.49 1.02 -1.26 -4.93 120.64 120.76 3i56 n GLU 148 Ca 0.59 -0.06 -0.31 0.00 -0.02 0.00 0.00 57.16 57.37 3i56 n GLU 148 Cb 0.52 -1.13 -0.05 0.00 -0.02 0.00 0.00 31.44 30.76 3i56 n GLU 148 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3i56 s ARG 149 N -2.41 2.79 0.00 3.49 0.52 -1.26 -5.27 118.95 116.82 3i56 s ARG 149 Ca -0.01 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.11 3i56 s ARG 149 Cb 0.06 -5.25 0.00 0.00 0.52 0.00 0.00 34.95 30.28 3i56 s ARG 149 CO 0.39 -3.49 0.00 0.94 0.02 0.00 0.00 175.30 173.17