#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 n LYS 2 N 0.00 1.10 -2.50 -1.46 2.85 -1.26 -4.86 118.16 112.04 3i55 n LYS 2 Ca 0.00 -0.07 -0.43 0.00 -1.05 0.00 0.00 58.31 56.76 3i55 n LYS 2 Cb 0.00 -1.33 -0.02 0.00 -0.65 0.00 0.00 35.03 33.02 3i55 n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 3i55 s GLN 3 N -2.83 4.33 0.25 -1.58 -0.21 -1.26 -4.96 119.66 113.41 3i55 s GLN 3 Ca 0.00 1.61 -0.03 0.00 0.02 0.00 0.00 55.36 56.97 3i55 s GLN 3 Cb 0.12 -3.60 0.51 0.00 1.00 0.00 0.00 33.01 31.04 3i55 s GLN 3 CO 0.68 -0.49 1.69 -1.35 -2.12 0.00 0.00 175.29 173.70 3i55 h PRO 4 N 7.56 0.32 -0.24 2.91 0.11 -1.98 -0.89 132.00 139.79 3i55 h PRO 4 Ca -0.31 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.82 3i55 h PRO 4 Cb 1.14 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 3i55 h PRO 4 CO 0.90 0.21 -0.50 -0.44 -0.21 0.00 0.00 178.00 177.96 3i55 h ASP 5 N 0.32 -1.61 -0.43 -2.05 5.19 -2.00 -0.75 116.42 115.09 3i55 h ASP 5 Ca 0.44 0.21 -0.11 0.00 -0.62 0.00 0.00 57.03 56.95 3i55 h ASP 5 Cb 0.76 0.65 -0.02 0.00 0.18 0.00 0.00 39.33 40.91 3i55 h ASP 5 CO -0.50 -0.44 -0.14 0.11 -3.12 0.00 0.00 179.24 175.15 3i55 h LYS 6 N -0.48 0.91 -0.18 3.56 1.57 -1.83 -0.76 116.57 119.36 3i55 h LYS 6 Ca 0.07 -0.34 0.05 0.00 -1.87 0.00 0.00 60.65 58.56 3i55 h LYS 6 Cb 0.64 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 3i55 h LYS 6 CO -0.49 0.99 -0.24 1.96 -0.57 0.00 0.00 179.45 181.11 3i55 h GLN 7 N 0.81 -0.26 -0.29 3.15 1.08 -0.53 0.23 115.11 119.30 3i55 h GLN 7 Ca 0.12 0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.24 3i55 h GLN 7 Cb 0.68 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.16 3i55 h GLN 7 CO 0.05 -0.17 -0.21 0.00 -0.95 0.00 0.00 178.83 177.55 3i55 h ARG 8 N -0.27 0.66 -0.42 1.46 3.08 -1.13 -2.89 114.38 114.87 3i55 h ARG 8 Ca 0.12 -0.32 0.09 0.00 0.07 0.00 0.00 59.98 59.94 3i55 h ARG 8 Cb 0.45 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.41 3i55 h ARG 8 CO -0.34 0.91 -0.14 -0.22 -1.07 0.00 0.00 179.97 179.12 3i55 h LYS 9 N 0.40 -0.04 -0.61 0.04 3.64 -0.38 -0.29 116.57 119.32 3i55 h LYS 9 Ca 0.06 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3i55 h LYS 9 Cb 0.76 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 3i55 h LYS 9 CO 0.06 -0.03 0.38 0.66 -2.27 0.00 0.00 179.45 178.24 3i55 h SER 10 N -0.04 0.73 -0.89 4.20 4.64 -0.54 -0.87 113.55 120.77 3i55 h SER 10 Ca 0.20 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 3i55 h SER 10 Cb 0.35 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.22 3i55 h SER 10 CO -0.45 0.57 0.49 1.56 -0.87 0.00 0.00 176.83 178.12 3i55 h GLN 11 N 0.83 1.25 -0.11 4.77 4.20 -1.13 -2.78 115.11 122.14 3i55 h GLN 11 Ca 0.22 -0.15 -0.18 0.00 0.06 0.00 0.00 58.65 58.60 3i55 h GLN 11 Cb -0.03 -0.24 0.01 0.00 0.30 0.00 0.00 27.48 27.51 3i55 h GLN 11 CO -0.04 0.92 -0.63 0.00 -0.67 0.00 0.00 178.83 178.40 3i55 h ARG 12 N 1.25 0.62 -1.19 1.46 3.08 -0.83 -3.29 114.38 115.49 3i55 h ARG 12 Ca 0.31 -0.52 -0.54 0.00 0.07 0.00 0.00 59.98 59.30 3i55 h ARG 12 Cb 0.03 0.11 -0.23 0.00 0.08 0.00 0.00 29.97 29.96 3i55 h ARG 12 CO -0.05 1.14 0.70 0.54 -1.07 0.00 0.00 179.97 181.24 3i55 n ARG 13 N -4.11 2.35 -3.18 0.04 1.74 -0.35 -4.98 116.66 108.17 3i55 n ARG 13 Ca -0.08 -2.64 -0.38 0.00 -0.77 0.00 0.00 57.85 53.97 3i55 n ARG 13 Cb 0.67 -2.04 -0.06 0.00 -1.02 0.00 0.00 32.46 30.02 3i55 n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i55 s ALA 14 N -3.07 3.53 0.41 7.54 0.00 -1.06 -4.94 121.76 124.17 3i55 s ALA 14 Ca 0.52 0.14 -0.25 0.00 0.00 0.00 0.00 51.96 52.37 3i55 s ALA 14 Cb 0.41 -2.74 -0.08 0.00 0.00 0.00 0.00 23.12 20.71 3i55 s ALA 14 CO -0.01 0.36 1.20 -2.14 0.00 0.00 0.00 175.76 175.18 3i55 s PRO 15 N -1.23 3.98 0.06 0.00 0.02 -1.26 -4.72 135.00 131.84 3i55 s PRO 15 Ca 0.33 1.90 -0.12 0.00 0.02 0.00 0.00 61.00 63.13 3i55 s PRO 15 Cb -0.20 -2.65 -0.03 0.00 0.02 0.00 0.00 34.50 31.64 3i55 s PRO 15 CO 0.21 -0.40 0.79 1.28 -0.33 0.00 0.00 177.00 178.55 3i55 n LEU 16 N -0.01 -0.41 0.29 -5.54 4.77 -1.26 0.58 117.00 115.41 3i55 n LEU 16 Ca 0.05 0.88 0.19 0.00 -0.03 0.00 0.00 56.01 57.09 3i55 n LEU 16 Cb 0.46 -0.18 0.99 0.00 -2.33 0.00 0.00 43.42 42.35 3i55 n LEU 16 CO 0.51 -0.66 1.16 1.12 -1.33 0.00 0.00 177.39 178.19 3i55 h HIS 17 N 0.00 0.00 0.00 -1.77 2.07 -2.01 0.23 115.15 113.67 3i55 h HIS 17 Ca 0.06 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.54 3i55 h HIS 17 Cb 0.16 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.13 3i55 h HIS 17 CO -0.58 0.00 -0.75 0.93 -3.07 0.00 0.00 177.93 174.47 3i55 h GLU 18 N 0.00 0.00 0.00 5.12 5.08 -0.22 -3.26 114.58 121.30 3i55 h GLU 18 Ca 0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3i55 h GLU 18 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3i55 h GLU 18 CO -0.00 0.10 -0.12 0.00 -1.00 0.00 0.00 179.01 177.99 3i55 h ARG 19 N 0.00 0.00 -0.86 2.33 3.08 0.15 -3.15 114.38 115.94 3i55 h ARG 19 Ca -0.03 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.14 3i55 h ARG 19 Cb 1.14 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.05 3i55 h ARG 19 CO 0.01 0.12 -0.45 0.45 -1.07 0.00 0.00 179.97 179.03 3i55 h HIS 20 N 0.00 -1.36 -0.39 3.04 3.86 -1.60 0.32 115.15 119.03 3i55 h HIS 20 Ca -0.00 0.10 0.11 0.00 -1.16 0.00 0.00 60.37 59.43 3i55 h HIS 20 Cb 0.36 0.71 -0.02 0.00 1.06 0.00 0.00 27.41 29.53 3i55 h HIS 20 CO 0.00 -0.40 0.29 1.57 0.86 0.00 0.00 177.93 180.25 3i55 h LYS 21 N -0.08 0.00 0.00 2.45 2.10 -1.81 -0.70 116.57 118.53 3i55 h LYS 21 Ca 0.24 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.88 3i55 h LYS 21 Cb 0.54 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.87 3i55 h LYS 21 CO -0.88 0.00 -0.05 1.96 -2.00 0.00 0.00 179.45 178.49 3i55 h GLN 22 N 0.00 0.00 -0.85 0.07 4.20 -0.53 -2.57 115.11 115.43 3i55 h GLN 22 Ca 0.18 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.43 3i55 h GLN 22 Cb 0.77 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 28.29 3i55 h GLN 22 CO -0.00 0.05 0.48 1.33 -0.67 0.00 0.00 178.83 180.01 3i55 n VAL 23 N -3.27 3.10 -3.20 -0.54 0.24 -0.27 -4.81 118.33 109.58 3i55 n VAL 23 Ca -0.01 -2.29 -0.36 0.00 -2.04 0.00 0.00 64.34 59.63 3i55 n VAL 23 Cb 0.22 -0.53 -0.06 0.00 -1.47 0.00 0.00 33.84 32.00 3i55 n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3i55 s ARG 24 N -3.36 4.18 0.13 7.34 0.52 -0.97 -2.08 118.95 124.72 3i55 s ARG 24 Ca 0.55 0.75 0.05 0.00 -0.52 0.00 0.00 55.73 56.56 3i55 s ARG 24 Cb 0.47 -2.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.93 3i55 s ARG 24 CO 0.07 0.46 -0.11 0.00 0.02 0.00 0.00 175.30 175.74 3i55 s ALA 25 N -1.43 1.42 0.51 2.13 0.00 -1.12 -4.03 121.76 119.25 3i55 s ALA 25 Ca 0.39 -1.39 -0.20 0.00 0.00 0.00 0.00 51.96 50.76 3i55 s ALA 25 Cb -0.17 0.01 -0.07 0.00 0.00 0.00 0.00 23.12 22.89 3i55 s ALA 25 CO 0.20 -0.03 1.08 -0.08 0.00 0.00 0.00 175.76 176.94 3i55 s THR 26 N -2.86 3.48 0.28 0.00 -1.32 -1.21 -1.57 115.64 112.44 3i55 s THR 26 Ca 0.13 0.92 -0.05 0.00 -1.21 0.00 0.00 61.69 61.49 3i55 s THR 26 Cb -0.00 -3.37 -0.05 0.00 -1.51 0.00 0.00 72.50 67.56 3i55 s THR 26 CO 0.01 -0.19 0.54 -0.76 -2.21 0.00 0.00 174.62 172.00 3i55 s LEU 27 N -3.62 4.08 1.20 9.08 1.43 0.54 -0.40 118.68 130.99 3i55 s LEU 27 Ca 0.70 0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 54.34 3i55 s LEU 27 Cb -0.20 -3.49 0.29 0.00 0.03 0.00 0.00 46.19 42.81 3i55 s LEU 27 CO 0.23 -0.18 1.02 -0.94 0.23 0.00 0.00 176.35 176.72 3i55 s SER 28 N -3.14 0.78 0.07 2.29 1.04 -0.77 -4.63 113.70 109.34 3i55 s SER 28 Ca 0.43 1.28 -0.26 0.00 0.48 0.00 0.00 55.95 57.89 3i55 s SER 28 Cb -0.11 -1.97 -0.16 0.00 0.10 0.00 0.00 66.02 63.88 3i55 s SER 28 CO 0.30 -4.29 1.63 0.00 0.98 0.00 0.00 173.24 171.86 3i55 h ALA 29 N -2.68 -0.25 -0.42 5.32 0.00 -1.98 -0.64 119.26 118.60 3i55 h ALA 29 Ca -0.58 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.30 3i55 h ALA 29 Cb 1.34 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 3i55 h ALA 29 CO 0.48 -0.61 0.15 -0.44 0.00 0.00 0.00 179.25 178.83 3i55 h ASP 30 N -0.32 0.16 -0.41 0.00 3.32 -1.98 -1.46 116.42 115.73 3i55 h ASP 30 Ca -0.03 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3i55 h ASP 30 Cb 0.25 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3i55 h ASP 30 CO 0.04 0.13 0.17 -0.07 -1.72 0.00 0.00 179.24 177.79 3i55 h LEU 31 N 0.32 0.57 -0.51 1.55 3.38 -1.88 0.50 115.31 119.23 3i55 h LEU 31 Ca 0.20 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3i55 h LEU 31 Cb 0.18 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3i55 h LEU 31 CO -0.20 0.58 0.23 0.03 0.09 0.00 0.00 178.44 179.17 3i55 h ARG 32 N 0.52 0.44 0.33 1.13 3.08 -0.85 -0.41 114.38 118.62 3i55 h ARG 32 Ca 0.14 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3i55 h ARG 32 Cb 0.18 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3i55 h ARG 32 CO -0.01 0.29 -0.21 1.49 -1.07 0.00 0.00 179.97 180.46 3i55 h GLU 33 N 0.45 -0.50 -0.45 0.04 4.57 -0.75 -1.08 114.58 116.86 3i55 h GLU 33 Ca 0.23 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.42 3i55 h GLU 33 Cb 0.19 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 3i55 h GLU 33 CO -0.19 -0.33 0.14 1.49 -1.18 0.00 0.00 179.01 178.94 3i55 h GLU 34 N -0.52 0.66 -0.21 1.92 4.81 0.41 -3.27 114.58 118.38 3i55 h GLU 34 Ca -0.03 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3i55 h GLU 34 Cb 0.43 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3i55 h GLU 34 CO 0.03 0.58 0.00 0.66 -0.73 0.00 0.00 179.01 179.55 3i55 n TYR 35 N -4.33 0.27 -2.63 0.92 4.02 -0.20 -4.99 117.16 110.21 3i55 n TYR 35 Ca 0.03 -0.30 -0.20 0.00 -0.01 0.00 0.00 57.90 57.42 3i55 n TYR 35 Cb 0.18 -0.02 0.01 0.00 -0.02 0.00 0.00 39.34 39.49 3i55 n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i55 n GLY 36 N 0.52 -0.43 3.38 2.72 0.00 -0.42 -4.78 105.19 106.17 3i55 n GLY 36 Ca 0.09 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 3i55 n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i55 s GLN 37 N -5.25 1.58 -0.00 1.61 -0.21 -1.15 -5.07 119.66 111.17 3i55 s GLN 37 Ca 0.12 -1.89 0.03 0.00 0.02 0.00 0.00 55.36 53.65 3i55 s GLN 37 Cb -0.05 -0.40 -0.05 0.00 1.00 0.00 0.00 33.01 33.51 3i55 s GLN 37 CO 0.15 -0.34 0.09 -2.13 -2.12 0.00 0.00 175.29 170.94 3i55 n ARG 38 N -0.60 1.45 -1.33 2.91 0.63 -1.26 -4.22 116.66 114.23 3i55 n ARG 38 Ca -0.01 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 3i55 n ARG 38 Cb 0.66 -0.98 0.00 0.00 0.45 0.00 0.00 32.46 32.59 3i55 n ARG 38 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3i55 n ASN 39 N -1.49 0.00 -3.65 6.15 6.94 -1.26 -0.34 115.26 121.61 3i55 n ASN 39 Ca -0.00 -0.96 -0.02 0.00 -0.02 0.00 0.00 54.58 53.58 3i55 n ASN 39 Cb 0.08 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.43 3i55 n ASN 39 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3i55 s VAL 40 N -2.59 0.00 -0.31 3.53 0.11 -0.61 -4.80 120.40 115.74 3i55 s VAL 40 Ca 0.00 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 58.73 3i55 s VAL 40 Cb 0.00 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.76 3i55 s VAL 40 CO 0.00 0.00 2.22 -1.14 -3.33 0.00 0.00 175.10 172.85 3i55 n ARG 41 N 1.60 1.42 -1.62 1.54 0.63 -1.25 -2.80 116.66 116.18 3i55 n ARG 41 Ca -0.10 0.37 -0.46 0.00 -0.92 0.00 0.00 57.85 56.74 3i55 n ARG 41 Cb 0.57 -2.80 -0.03 0.00 0.45 0.00 0.00 32.46 30.66 3i55 n ARG 41 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3i55 n VAL 42 N 7.46 1.34 -4.33 5.15 0.31 -0.88 -4.97 118.33 122.41 3i55 n VAL 42 Ca 0.37 -0.33 -0.29 0.00 -0.01 0.00 0.00 64.34 64.08 3i55 n VAL 42 Cb 0.33 -1.15 -0.11 0.00 -0.91 0.00 0.00 33.84 32.00 3i55 n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3i55 s ASN 43 N -0.11 3.76 0.00 4.52 0.01 -1.26 -4.99 114.94 116.87 3i55 s ASN 43 Ca 0.66 -0.64 0.02 0.00 -0.71 0.00 0.00 52.86 52.19 3i55 s ASN 43 Cb -0.72 -0.46 0.12 0.00 0.41 0.00 0.00 41.25 40.60 3i55 s ASN 43 CO 0.55 0.16 0.41 0.00 -1.51 0.00 0.00 177.10 176.71 3i55 n ALA 44 N 0.65 1.66 -0.03 0.60 0.00 -1.26 -1.44 120.51 120.69 3i55 n ALA 44 Ca -0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 53.44 53.27 3i55 n ALA 44 Cb 0.53 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.86 3i55 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i55 n GLY 45 N -0.51 -0.58 0.53 0.00 0.00 -1.26 -4.52 105.19 98.86 3i55 n GLY 45 Ca 0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 3i55 n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i55 n ASP 46 N -2.21 -2.12 -4.09 1.61 8.00 -0.52 -4.48 116.55 112.75 3i55 n ASP 46 Ca -0.11 -0.13 -0.09 0.00 0.71 0.00 0.00 54.79 55.17 3i55 n ASP 46 Cb 0.63 -0.16 -0.10 0.00 -0.02 0.00 0.00 41.12 41.46 3i55 n ASP 46 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3i55 s THR 47 N -1.08 0.36 0.01 -3.53 2.01 0.59 -2.82 115.64 111.18 3i55 s THR 47 Ca 0.10 -1.58 -0.28 0.00 0.31 0.00 0.00 61.69 60.24 3i55 s THR 47 Cb -0.02 -1.20 0.10 0.00 0.01 0.00 0.00 72.50 71.39 3i55 s THR 47 CO 0.08 -0.79 0.87 0.54 -0.69 0.00 0.00 174.62 174.63 3i55 s VAL 48 N -3.05 0.00 -0.06 3.82 0.11 -0.59 -2.14 120.40 118.49 3i55 s VAL 48 Ca 0.02 -0.01 0.05 0.00 -2.93 0.00 0.00 61.98 59.10 3i55 s VAL 48 Cb 0.02 -1.02 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 3i55 s VAL 48 CO -0.06 0.00 -0.20 -1.83 -3.33 0.00 0.00 175.10 169.68 3i55 s GLU 49 N -3.16 2.60 -0.08 1.54 -1.05 -0.45 -1.61 118.70 116.49 3i55 s GLU 49 Ca 0.05 -0.81 -0.30 0.00 -0.15 0.00 0.00 54.97 53.76 3i55 s GLU 49 Cb -0.01 -2.28 -0.03 0.00 -0.44 0.00 0.00 34.13 31.38 3i55 s GLU 49 CO -0.09 0.45 1.19 0.08 0.95 0.00 0.00 175.26 177.84 3i55 s VAL 50 N -0.32 4.32 -0.67 1.83 1.01 -0.02 -2.28 120.40 124.27 3i55 s VAL 50 Ca 0.02 1.63 0.14 0.00 0.00 0.00 0.00 61.98 63.77 3i55 s VAL 50 Cb -0.13 -4.05 -0.16 0.00 0.00 0.00 0.00 36.38 32.05 3i55 s VAL 50 CO 0.02 -0.03 0.61 0.18 0.00 0.00 0.00 175.10 175.88 3i55 n LEU 51 N 5.43 0.67 0.07 3.92 4.77 -0.83 0.14 117.00 131.17 3i55 n LEU 51 Ca 0.11 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 3i55 n LEU 51 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3i55 n LEU 51 CO 0.55 0.17 -0.07 0.54 -1.33 0.00 0.00 177.39 177.24 3i55 n ARG 52 N -1.35 0.00 0.00 3.23 5.12 -1.23 -4.87 116.66 117.56 3i55 n ARG 52 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 3i55 n ARG 52 Cb 0.23 -0.19 0.00 0.00 -1.16 0.00 0.00 32.46 31.34 3i55 n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i55 n GLY 53 N 2.19 -2.04 0.09 -0.13 0.00 -1.26 -4.48 105.19 99.56 3i55 n GLY 53 Ca 0.00 -0.68 0.10 0.00 0.00 0.00 0.00 46.02 45.44 3i55 n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i55 n ASP 54 N -0.96 0.42 -0.49 1.61 10.43 -1.26 -1.78 116.55 124.53 3i55 n ASP 54 Ca 0.00 0.61 0.12 0.00 2.57 0.00 0.00 54.79 58.09 3i55 n ASP 54 Cb 0.00 -0.70 0.09 0.00 1.84 0.00 0.00 41.12 42.35 3i55 n ASP 54 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3i55 n PHE 55 N -1.98 0.00 -1.60 1.24 3.01 -1.26 -4.97 117.46 111.90 3i55 n PHE 55 Ca 0.02 0.00 -0.59 0.00 1.01 0.00 0.00 57.45 57.89 3i55 n PHE 55 Cb 0.19 -0.02 -0.08 0.00 -0.01 0.00 0.00 39.48 39.56 3i55 n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i55 n ALA 56 N -0.02 -2.16 0.00 4.37 0.00 -0.74 -1.47 120.51 120.49 3i55 n ALA 56 Ca 0.10 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.08 3i55 n ALA 56 Cb 0.46 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.99 3i55 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i55 n GLY 57 N 2.61 2.91 3.78 0.00 0.00 0.36 -4.93 105.19 109.92 3i55 n GLY 57 Ca 0.23 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 3i55 n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i55 s GLU 58 N 0.00 3.02 -0.00 1.61 2.02 -0.54 -4.70 118.70 120.11 3i55 s GLU 58 Ca 0.00 1.35 0.05 0.00 0.02 0.00 0.00 54.97 56.39 3i55 s GLU 58 Cb 0.00 -1.98 -0.01 0.00 0.10 0.00 0.00 34.13 32.23 3i55 s GLU 58 CO 0.00 -1.07 -0.16 -1.21 0.02 0.00 0.00 175.26 172.84 3i55 s GLU 59 N -4.01 1.29 0.10 1.61 2.02 -1.26 -0.84 118.70 117.61 3i55 s GLU 59 Ca 0.66 -0.63 -0.07 0.00 0.02 0.00 0.00 54.97 54.95 3i55 s GLU 59 Cb -0.19 -1.26 0.03 0.00 0.10 0.00 0.00 34.13 32.80 3i55 s GLU 59 CO 0.39 0.34 0.34 0.41 0.02 0.00 0.00 175.26 176.76 3i55 n GLY 60 N 2.53 1.27 3.78 -1.39 0.00 -0.63 -5.00 105.19 105.76 3i55 n GLY 60 Ca -0.15 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 3i55 n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i55 s GLU 61 N -2.02 3.77 0.02 1.61 2.12 -1.26 -1.54 118.70 121.38 3i55 s GLU 61 Ca 0.07 -0.21 -0.30 0.00 0.36 0.00 0.00 54.97 54.89 3i55 s GLU 61 Cb -0.01 -3.25 -0.07 0.00 0.26 0.00 0.00 34.13 31.05 3i55 s GLU 61 CO 0.03 0.53 1.71 0.08 -0.54 0.00 0.00 175.26 177.07 3i55 s VAL 62 N -0.31 3.24 -0.13 3.70 1.01 -1.13 -0.21 120.40 126.57 3i55 s VAL 62 Ca 0.11 0.48 0.17 0.00 0.00 0.00 0.00 61.98 62.74 3i55 s VAL 62 Cb -0.12 -3.31 -0.25 0.00 0.00 0.00 0.00 36.38 32.70 3i55 s VAL 62 CO 0.01 -0.03 0.42 -0.38 0.00 0.00 0.00 175.10 175.13 3i55 n ILE 63 N 5.17 0.00 -3.61 2.22 2.08 0.33 -4.24 119.36 121.31 3i55 n ILE 63 Ca 0.17 -0.35 -0.16 0.00 0.56 0.00 0.00 62.75 62.98 3i55 n ILE 63 Cb 0.41 0.24 -0.07 0.00 -0.75 0.00 0.00 39.64 39.47 3i55 n ILE 63 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3i55 s ASN 64 N -3.76 -0.62 -0.24 4.38 2.47 -1.20 -4.93 114.94 111.04 3i55 s ASN 64 Ca -0.04 0.94 -0.03 0.00 0.42 0.00 0.00 52.86 54.15 3i55 s ASN 64 Cb 0.11 0.89 0.08 0.00 -1.45 0.00 0.00 41.25 40.88 3i55 s ASN 64 CO 0.71 -0.41 0.07 -0.69 -3.72 0.00 0.00 177.10 173.05 3i55 s VAL 65 N -0.47 0.49 -0.38 -5.21 1.01 -1.26 -0.28 120.40 114.30 3i55 s VAL 65 Ca -0.06 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 60.97 3i55 s VAL 65 Cb -0.03 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.19 3i55 s VAL 65 CO 0.05 -0.42 0.38 -0.62 0.00 0.00 0.00 175.10 174.49 3i55 s ASP 66 N 1.85 6.17 0.17 3.32 -1.08 0.19 -4.94 116.67 122.36 3i55 s ASP 66 Ca 0.04 -0.47 -0.01 0.00 -0.52 0.00 0.00 52.55 51.58 3i55 s ASP 66 Cb -0.17 -2.20 0.04 0.00 -1.46 0.00 0.00 42.92 39.13 3i55 s ASP 66 CO -0.17 -0.43 1.41 -0.07 0.52 0.00 0.00 175.17 176.43 3i55 h LEU 67 N 8.83 0.45 -0.57 -1.34 3.38 -1.95 0.79 115.31 124.91 3i55 h LEU 67 Ca -0.28 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.41 3i55 h LEU 67 Cb 1.13 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3i55 h LEU 67 CO 0.73 1.06 0.32 -0.78 0.09 0.00 0.00 178.44 179.87 3i55 h ASP 68 N 0.24 0.50 -0.02 -0.43 3.58 -1.96 -2.71 116.42 115.63 3i55 h ASP 68 Ca -0.04 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3i55 h ASP 68 Cb 1.36 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.32 3i55 h ASP 68 CO 0.13 0.34 -0.30 0.29 -2.88 0.00 0.00 179.24 176.83 3i55 n LYS 69 N -4.80 1.56 -3.55 0.28 5.02 -1.22 -5.00 118.16 110.44 3i55 n LYS 69 Ca 0.05 -1.07 -0.25 0.00 -2.02 0.00 0.00 58.31 55.02 3i55 n LYS 69 Cb 0.11 -1.36 0.05 0.00 -0.02 0.00 0.00 35.03 33.81 3i55 n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i55 n ALA 70 N 0.20 -2.45 -2.62 7.82 0.00 0.26 -5.00 120.51 118.71 3i55 n ALA 70 Ca 0.09 -0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 3i55 n ALA 70 Cb 0.41 -4.34 -0.08 0.00 0.00 0.00 0.00 19.45 15.45 3i55 n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i55 s VAL 71 N -3.47 0.14 0.05 0.00 1.01 -0.14 -4.79 120.40 113.19 3i55 s VAL 71 Ca 0.40 -1.13 0.04 0.00 0.00 0.00 0.00 61.98 61.29 3i55 s VAL 71 Cb -0.11 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 3i55 s VAL 71 CO 0.82 -0.63 -0.13 0.27 0.00 0.00 0.00 175.10 175.43 3i55 s ILE 72 N -3.50 1.01 -0.02 2.22 -4.36 -1.01 0.57 121.20 116.10 3i55 s ILE 72 Ca 0.02 -1.10 -0.05 0.00 -0.26 0.00 0.00 60.65 59.26 3i55 s ILE 72 Cb 0.03 -0.95 -0.04 0.00 1.25 0.00 0.00 42.46 42.75 3i55 s ILE 72 CO -0.09 -0.14 0.20 -1.00 0.24 0.00 0.00 174.94 174.16 3i55 s HIS 73 N -1.06 3.57 -0.05 1.37 3.76 0.62 -1.83 115.29 121.67 3i55 s HIS 73 Ca -0.01 0.46 -0.01 0.00 -0.15 0.00 0.00 55.06 55.34 3i55 s HIS 73 Cb -0.09 -1.90 0.03 0.00 1.11 0.00 0.00 32.58 31.73 3i55 s HIS 73 CO 0.01 0.65 0.03 0.08 -0.85 0.00 0.00 174.74 174.67 3i55 s VAL 74 N -1.26 0.09 0.04 -0.90 1.01 -1.26 -0.51 120.40 117.60 3i55 s VAL 74 Ca 0.25 0.27 -0.23 0.00 0.00 0.00 0.00 61.98 62.27 3i55 s VAL 74 Cb -0.13 -0.28 -0.12 0.00 0.00 0.00 0.00 36.38 35.85 3i55 s VAL 74 CO 0.15 0.19 0.57 1.21 0.00 0.00 0.00 175.10 177.22 3i55 n GLU 75 N 5.01 0.00 0.00 2.72 2.13 0.71 -0.96 120.64 130.25 3i55 n GLU 75 Ca -0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.73 3i55 n GLU 75 Cb 0.50 -0.85 0.00 0.00 0.27 0.00 0.00 31.44 31.36 3i55 n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3i55 n ASP 76 N 1.04 0.00 -4.56 4.31 8.00 -1.26 -4.57 116.55 119.51 3i55 n ASP 76 Ca 0.12 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.24 3i55 n ASP 76 Cb 0.08 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 3i55 n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i55 s VAL 77 N -0.75 3.72 0.27 2.53 1.01 -0.13 -4.91 120.40 122.14 3i55 s VAL 77 Ca 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3i55 s VAL 77 Cb 0.00 -4.71 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 3i55 s VAL 77 CO 0.00 -1.63 0.14 0.42 0.00 0.00 0.00 175.10 174.03 3i55 s THR 78 N 6.54 0.35 0.01 3.92 -4.23 -1.26 -2.35 115.64 118.61 3i55 s THR 78 Ca 0.50 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.07 3i55 s THR 78 Cb -0.05 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 3i55 s THR 78 CO 0.02 0.00 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.16 3i55 s LEU 79 N -3.32 2.09 -0.38 4.79 1.43 0.31 -4.79 118.68 118.81 3i55 s LEU 79 Ca 0.37 -0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 52.88 3i55 s LEU 79 Cb 0.06 -0.91 0.01 0.00 0.03 0.00 0.00 46.19 45.38 3i55 s LEU 79 CO 0.16 0.18 0.55 -0.70 0.23 0.00 0.00 176.35 176.77 3i55 s GLU 80 N -0.73 3.46 0.58 1.70 2.12 -1.26 0.67 118.70 125.24 3i55 s GLU 80 Ca 0.07 -0.28 -0.10 0.00 0.36 0.00 0.00 54.97 55.01 3i55 s GLU 80 Cb -0.08 -3.87 0.15 0.00 0.26 0.00 0.00 34.13 30.59 3i55 s GLU 80 CO 0.00 -0.78 0.41 1.63 -0.54 0.00 0.00 175.26 175.98 3i55 n LYS 81 N 5.89 -2.69 0.08 4.30 5.02 0.35 -4.85 118.16 126.25 3i55 n LYS 81 Ca -0.04 -0.67 -0.11 0.00 -2.02 0.00 0.00 58.31 55.46 3i55 n LYS 81 Cb 0.48 -0.76 -0.08 0.00 -0.02 0.00 0.00 35.03 34.66 3i55 n LYS 81 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3i55 h THR 82 N -2.42 0.84 0.00 -0.18 2.02 -1.97 -2.83 112.91 108.37 3i55 h THR 82 Ca -0.17 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.01 3i55 h THR 82 Cb 0.55 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 3i55 h THR 82 CO 0.11 0.20 0.09 -0.90 0.37 0.00 0.00 175.52 175.38 3i55 n ASP 83 N -4.97 0.00 0.00 4.18 5.68 -1.26 -4.69 116.55 115.49 3i55 n ASP 83 Ca -0.08 0.24 0.00 0.00 -0.50 0.00 0.00 54.79 54.45 3i55 n ASP 83 Cb 0.26 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 3i55 n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i55 n GLY 84 N -1.19 0.80 3.76 6.12 0.00 -1.07 -5.07 105.19 108.54 3i55 n GLY 84 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3i55 n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i55 s GLU 85 N -0.92 4.67 -0.47 1.61 2.12 -1.26 -4.68 118.70 119.77 3i55 s GLU 85 Ca 0.00 1.58 -0.21 0.00 0.36 0.00 0.00 54.97 56.70 3i55 s GLU 85 Cb 0.00 -3.10 0.03 0.00 0.26 0.00 0.00 34.13 31.32 3i55 s GLU 85 CO 0.00 0.31 0.71 -2.00 -0.54 0.00 0.00 175.26 173.74 3i55 s GLU 86 N -1.53 3.29 0.18 4.30 2.56 -1.26 0.13 118.70 126.37 3i55 s GLU 86 Ca 0.45 -0.38 0.07 0.00 0.00 0.00 0.00 54.97 55.12 3i55 s GLU 86 Cb -0.27 -3.99 -0.04 0.00 2.00 0.00 0.00 34.13 31.84 3i55 s GLU 86 CO 0.34 -1.13 -0.00 0.14 -0.56 0.00 0.00 175.26 174.04 3i55 s VAL 87 N 3.05 3.71 0.46 3.70 -7.23 0.21 -4.88 120.40 119.42 3i55 s VAL 87 Ca 0.24 -1.45 -0.23 0.00 -1.81 0.00 0.00 61.98 58.73 3i55 s VAL 87 Cb -0.14 -2.87 -0.07 0.00 0.56 0.00 0.00 36.38 33.85 3i55 s VAL 87 CO 0.19 -0.12 1.18 -2.16 -0.31 0.00 0.00 175.10 173.87 3i55 s PRO 88 N -2.98 3.76 -0.40 4.82 0.04 -1.26 0.11 135.00 139.10 3i55 s PRO 88 Ca 0.28 1.81 -0.05 0.00 0.04 0.00 0.00 61.00 63.07 3i55 s PRO 88 Cb -0.09 -2.44 0.09 0.00 0.04 0.00 0.00 34.50 32.10 3i55 s PRO 88 CO 0.19 -0.56 0.20 0.50 0.04 0.00 0.00 177.00 177.36 3i55 s ARG 89 N -2.66 2.34 0.53 4.56 6.06 -0.99 -4.67 118.95 124.12 3i55 s ARG 89 Ca 0.63 -1.57 -0.19 0.00 -2.50 0.00 0.00 55.73 52.10 3i55 s ARG 89 Cb -0.30 -3.61 -0.09 0.00 0.06 0.00 0.00 34.95 31.02 3i55 s ARG 89 CO 0.36 -0.95 0.58 -2.30 -2.50 0.00 0.00 175.30 170.49 3i55 n PRO 90 N 4.74 0.60 -4.10 5.12 -0.02 -1.26 -4.77 135.00 135.31 3i55 n PRO 90 Ca -0.08 0.23 -0.14 0.00 -2.02 0.00 0.00 63.50 61.49 3i55 n PRO 90 Cb 0.42 -1.71 -0.11 0.00 -0.02 0.00 0.00 33.50 32.08 3i55 n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i55 s LEU 91 N 0.73 2.28 -0.29 2.45 1.43 -0.76 -4.96 118.68 119.56 3i55 s LEU 91 Ca 0.68 -0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 53.02 3i55 s LEU 91 Cb -0.48 -0.25 -0.02 0.00 0.03 0.00 0.00 46.19 45.46 3i55 s LEU 91 CO 0.55 -0.18 0.46 -0.62 0.23 0.00 0.00 176.35 176.78 3i55 s ASP 92 N -1.71 6.32 0.36 2.29 -1.08 -1.26 -2.40 116.67 119.20 3i55 s ASP 92 Ca -0.07 0.25 0.20 0.00 -0.52 0.00 0.00 52.55 52.41 3i55 s ASP 92 Cb -0.09 -2.25 1.30 0.00 -1.46 0.00 0.00 42.92 40.42 3i55 s ASP 92 CO 0.01 -0.31 1.55 0.35 0.52 0.00 0.00 175.17 177.29 3i55 n THR 93 N 5.22 -0.41 0.28 1.71 -2.24 -1.26 0.15 114.28 117.73 3i55 n THR 93 Ca -0.06 2.00 0.18 0.00 -2.27 0.00 0.00 64.05 63.89 3i55 n THR 93 Cb 0.50 -3.23 0.95 0.00 -2.10 0.00 0.00 70.33 66.45 3i55 n THR 93 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3i55 h SER 94 N 0.00 0.00 -0.54 3.42 0.87 -1.89 0.33 113.55 115.74 3i55 h SER 94 Ca 0.82 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.38 3i55 h SER 94 Cb 2.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.12 3i55 h SER 94 CO -0.76 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 176.13 3i55 n ASN 95 N -2.76 5.27 -3.98 6.23 3.02 0.40 -4.96 115.26 118.49 3i55 n ASN 95 Ca -0.02 -2.86 -0.09 0.00 -0.03 0.00 0.00 54.58 51.58 3i55 n ASN 95 Cb 0.10 -0.64 -0.10 0.00 -0.61 0.00 0.00 39.78 38.53 3i55 n ASN 95 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i55 s VAL 96 N -2.61 0.15 -0.06 2.41 0.11 0.12 -1.96 120.40 118.55 3i55 s VAL 96 Ca 0.52 -1.23 0.03 0.00 -2.93 0.00 0.00 61.98 58.37 3i55 s VAL 96 Cb 0.39 -0.92 0.01 0.00 -1.53 0.00 0.00 36.38 34.33 3i55 s VAL 96 CO 0.16 -0.68 -0.14 -0.60 -3.33 0.00 0.00 175.10 170.52 3i55 s ARG 97 N -2.70 1.75 0.07 1.54 3.52 -0.97 -3.32 118.95 118.84 3i55 s ARG 97 Ca -0.04 -0.47 -0.31 0.00 -0.13 0.00 0.00 55.73 54.78 3i55 s ARG 97 Cb -0.01 -1.45 -0.07 0.00 -1.56 0.00 0.00 34.95 31.87 3i55 s ARG 97 CO -0.05 0.08 1.35 0.08 -0.81 0.00 0.00 175.30 175.95 3i55 s VAL 98 N 0.49 3.58 -0.13 7.11 1.01 0.47 -1.33 120.40 131.60 3i55 s VAL 98 Ca -0.12 1.09 0.15 0.00 0.00 0.00 0.00 61.98 63.11 3i55 s VAL 98 Cb -0.15 -3.70 -0.23 0.00 0.00 0.00 0.00 36.38 32.30 3i55 s VAL 98 CO 0.04 0.06 0.38 0.35 0.00 0.00 0.00 175.10 175.93 3i55 n THR 99 N 4.13 0.00 -3.64 3.92 -2.24 -0.91 -1.84 114.28 113.70 3i55 n THR 99 Ca 0.11 -0.32 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 3i55 n THR 99 Cb 0.44 0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 68.87 3i55 n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i55 s ASP 100 N -3.57 -0.89 0.08 3.42 -1.08 -1.23 -4.95 116.67 108.45 3i55 s ASP 100 Ca -0.04 1.49 -0.00 0.00 -0.52 0.00 0.00 52.55 53.48 3i55 s ASP 100 Cb 0.10 1.41 -0.04 0.00 -1.46 0.00 0.00 42.92 42.93 3i55 s ASP 100 CO 0.64 -0.24 0.24 -0.76 0.52 0.00 0.00 175.17 175.56 3i55 s LEU 101 N 1.25 4.35 -0.20 -1.34 1.43 -1.26 -0.30 118.68 122.60 3i55 s LEU 101 Ca -0.07 0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 53.25 3i55 s LEU 101 Cb -0.05 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 3i55 s LEU 101 CO -0.14 0.14 0.09 -0.62 0.23 0.00 0.00 176.35 176.06 3i55 s ASP 102 N -2.57 5.75 -0.26 2.29 -1.08 -1.26 -4.88 116.67 114.66 3i55 s ASP 102 Ca 0.36 0.07 0.12 0.00 -0.52 0.00 0.00 52.55 52.58 3i55 s ASP 102 Cb -0.13 -2.01 0.46 0.00 -1.46 0.00 0.00 42.92 39.79 3i55 s ASP 102 CO 0.28 0.13 1.18 0.18 0.52 0.00 0.00 175.17 177.45 3i55 n LEU 103 N 3.85 3.81 -0.17 -1.34 4.77 -1.26 -4.80 117.00 121.87 3i55 n LEU 103 Ca -0.16 -4.18 -0.04 0.00 -0.03 0.00 0.00 56.01 51.60 3i55 n LEU 103 Cb 0.52 -0.19 0.06 0.00 -2.33 0.00 0.00 43.42 41.48 3i55 n LEU 103 CO 0.35 1.74 1.00 -0.33 -1.33 0.00 0.00 177.39 178.82 3i55 h GLU 104 N 2.07 0.44 -6.90 3.23 5.08 -2.02 -3.41 114.58 113.06 3i55 h GLU 104 Ca 0.20 -0.03 -0.54 0.00 -1.00 0.00 0.00 59.36 57.99 3i55 h GLU 104 Cb 1.43 -0.10 0.10 0.00 0.50 0.00 0.00 28.75 30.68 3i55 h GLU 104 CO 0.52 0.29 0.79 0.34 -1.00 0.00 0.00 179.01 179.95 3i55 s ASP 105 N -5.45 6.40 0.10 1.42 -1.08 -1.26 -4.89 116.67 111.91 3i55 s ASP 105 Ca -0.13 2.99 0.01 0.00 -0.52 0.00 0.00 52.55 54.90 3i55 s ASP 105 Cb 0.14 -2.66 -0.23 0.00 -1.46 0.00 0.00 42.92 38.71 3i55 s ASP 105 CO 0.73 -0.85 1.22 -0.33 0.52 0.00 0.00 175.17 176.47 3i55 h GLU 106 N 3.48 0.15 -0.02 4.34 5.08 -2.00 -3.21 114.58 122.41 3i55 h GLU 106 Ca -0.50 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 57.60 3i55 h GLU 106 Cb 1.23 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 3i55 h GLU 106 CO 0.68 1.11 -0.01 0.87 -1.00 0.00 0.00 179.01 180.65 3i55 h LYS 107 N 0.05 0.04 -0.43 2.33 1.57 -1.94 -0.59 116.57 117.60 3i55 h LYS 107 Ca -0.08 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3i55 h LYS 107 Cb 1.85 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 34.11 3i55 h LYS 107 CO 0.17 0.48 0.15 -0.09 -0.57 0.00 0.00 179.45 179.59 3i55 h ARG 108 N -0.40 0.31 -1.00 3.15 2.43 -1.95 0.24 114.38 117.16 3i55 h ARG 108 Ca 0.00 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 3i55 h ARG 108 Cb 0.47 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.88 3i55 h ARG 108 CO 0.00 0.20 0.64 1.49 -1.51 0.00 0.00 179.97 180.80 3i55 h GLU 109 N 0.32 1.12 0.51 0.20 4.81 -1.54 -2.00 114.58 118.00 3i55 h GLU 109 Ca 0.20 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3i55 h GLU 109 Cb 0.19 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 29.32 3i55 h GLU 109 CO -0.20 0.74 -0.25 0.00 -0.73 0.00 0.00 179.01 178.57 3i55 h ALA 110 N 1.47 -1.12 -1.00 2.92 0.00 0.65 -2.98 119.26 119.19 3i55 h ALA 110 Ca 0.44 -0.15 0.22 0.00 0.00 0.00 0.00 54.91 55.41 3i55 h ALA 110 Cb 0.19 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 18.14 3i55 h ALA 110 CO -0.18 -1.07 0.62 0.00 0.00 0.00 0.00 179.25 178.62 3i55 h ARG 111 N -0.72 0.60 -0.92 0.00 3.08 -1.09 -0.26 114.38 115.06 3i55 h ARG 111 Ca -0.07 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.02 3i55 h ARG 111 Cb 0.53 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.38 3i55 h ARG 111 CO 0.12 0.40 0.58 -0.07 -1.07 0.00 0.00 179.97 179.92 3i55 h LEU 112 N 0.62 0.90 0.13 3.04 3.38 -1.32 -3.08 115.31 118.98 3i55 h LEU 112 Ca 0.59 0.02 -0.33 0.00 0.09 0.00 0.00 57.88 58.25 3i55 h LEU 112 Cb 1.12 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3i55 h LEU 112 CO -0.38 0.56 -1.72 -0.33 0.09 0.00 0.00 178.44 176.66 3i55 h GLU 113 N 1.02 0.27 -6.26 1.13 5.08 -0.96 -3.45 114.58 111.41 3i55 h GLU 113 Ca 0.41 -0.46 -0.55 0.00 -1.00 0.00 0.00 59.36 57.76 3i55 h GLU 113 Cb 0.23 0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.66 3i55 h GLU 113 CO -0.19 1.13 1.28 -1.54 -1.00 0.00 0.00 179.01 178.69 3i55 s SER 114 N -6.99 6.23 0.20 1.42 1.04 -0.32 -4.84 113.70 110.44 3i55 s SER 114 Ca -0.14 2.42 -0.09 0.00 0.48 0.00 0.00 55.95 58.62 3i55 s SER 114 Cb 0.06 -2.53 0.12 0.00 0.10 0.00 0.00 66.02 63.78 3i55 s SER 114 CO 0.83 -1.27 1.73 1.05 0.98 0.00 0.00 173.24 176.57 3i55 h GLU 115 N 11.57 1.11 0.00 4.02 4.11 -1.86 -1.91 114.58 131.62 3i55 h GLU 115 Ca -0.46 -0.24 0.00 0.00 0.07 0.00 0.00 59.36 58.73 3i55 h GLU 115 Cb 1.23 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3i55 h GLU 115 CO 0.95 0.95 0.00 -0.25 0.07 0.00 0.00 179.01 180.73 3i55 n ASP 116 N -4.28 0.00 -4.29 3.06 8.00 -1.26 -4.64 116.55 113.13 3i55 n ASP 116 Ca 0.05 -0.02 -0.16 0.00 0.71 0.00 0.00 54.79 55.37 3i55 n ASP 116 Cb 0.23 -0.09 -0.10 0.00 -0.02 0.00 0.00 41.12 41.14 3i55 n ASP 116 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3i55 s ASP 117 N -2.18 1.82 -0.01 -2.24 1.01 -0.72 -5.16 116.67 109.19 3i55 s ASP 117 Ca 0.06 -1.11 0.02 0.00 0.71 0.00 0.00 52.55 52.23 3i55 s ASP 117 Cb 0.03 -0.00 -0.00 0.00 1.01 0.00 0.00 42.92 43.96 3i55 s ASP 117 CO 0.05 -0.42 -0.08 -0.94 0.21 0.00 0.00 175.17 174.00 3i55 s SER 118 N -3.24 0.95 0.00 0.27 1.04 -1.26 -4.76 113.70 106.70 3i55 s SER 118 Ca 0.23 -0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.55 3i55 s SER 118 Cb 0.04 -0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.02 3i55 s SER 118 CO 0.05 0.08 0.61 0.00 0.98 0.00 0.00 173.24 174.95