#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 n LYS 2 N 0.00 0.32 -2.48 -1.46 2.85 -1.26 -4.84 118.16 111.30 3i56 n LYS 2 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.84 3i56 n LYS 2 Cb 0.00 -1.61 -0.02 0.00 -0.65 0.00 0.00 35.03 32.75 3i56 n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 3i56 s GLN 3 N -3.22 4.24 0.34 -1.58 -0.21 -1.26 -4.96 119.66 113.01 3i56 s GLN 3 Ca 0.03 1.59 0.09 0.00 0.02 0.00 0.00 55.36 57.09 3i56 s GLN 3 Cb 0.14 -3.73 0.81 0.00 1.00 0.00 0.00 33.01 31.22 3i56 s GLN 3 CO 0.80 -0.69 1.83 -1.35 -2.12 0.00 0.00 175.29 173.76 3i56 h PRO 4 N 8.01 0.69 -0.61 2.91 0.11 -1.99 -1.57 132.00 139.55 3i56 h PRO 4 Ca -0.25 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 3i56 h PRO 4 Cb 1.09 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 3i56 h PRO 4 CO 0.97 0.45 0.37 -0.44 -0.21 0.00 0.00 178.00 179.14 3i56 h ASP 5 N 0.71 0.74 0.67 -2.05 5.19 -2.00 -1.91 116.42 117.77 3i56 h ASP 5 Ca 0.50 -0.06 -0.15 0.00 -0.62 0.00 0.00 57.03 56.70 3i56 h ASP 5 Cb 0.83 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 3i56 h ASP 5 CO -0.26 0.58 -0.71 0.11 -3.12 0.00 0.00 179.24 175.83 3i56 h LYS 6 N 0.83 0.03 -0.20 3.56 1.57 -1.73 -2.04 116.57 118.58 3i56 h LYS 6 Ca 0.22 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 3i56 h LYS 6 Cb -0.02 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 3i56 h LYS 6 CO -0.04 0.73 -0.12 1.96 -0.57 0.00 0.00 179.45 181.41 3i56 h GLN 7 N 0.02 0.44 -0.15 3.15 1.08 -1.10 -2.02 115.11 116.52 3i56 h GLN 7 Ca -0.01 -0.20 -0.13 0.00 -1.45 0.00 0.00 58.65 56.86 3i56 h GLN 7 Cb 1.26 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.68 3i56 h GLN 7 CO 0.10 0.75 -0.46 0.00 -0.95 0.00 0.00 178.83 178.27 3i56 h ARG 8 N 0.13 0.38 -0.18 1.46 3.08 -1.36 -3.03 114.38 114.86 3i56 h ARG 8 Ca 0.04 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 3i56 h ARG 8 Cb 0.63 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 3i56 h ARG 8 CO 0.03 0.76 0.08 -0.22 -1.07 0.00 0.00 179.97 179.55 3i56 h LYS 9 N 0.31 0.27 -0.05 0.04 3.64 -1.30 -2.23 116.57 117.24 3i56 h LYS 9 Ca 0.02 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3i56 h LYS 9 Cb 0.93 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 3i56 h LYS 9 CO 0.08 0.33 -0.21 0.66 -2.27 0.00 0.00 179.45 178.03 3i56 h SER 10 N 0.14 0.08 0.54 4.20 4.64 -1.33 -1.47 113.55 120.35 3i56 h SER 10 Ca 0.06 -0.02 -0.27 0.00 -0.47 0.00 0.00 61.79 61.09 3i56 h SER 10 Cb 0.16 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3i56 h SER 10 CO -0.01 0.30 -1.20 1.56 -0.87 0.00 0.00 176.83 176.61 3i56 h GLN 11 N 0.08 0.33 0.00 4.77 4.20 -1.40 -2.52 115.11 120.56 3i56 h GLN 11 Ca 0.01 -0.51 -0.10 0.00 0.06 0.00 0.00 58.65 58.11 3i56 h GLN 11 Cb 0.43 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 3i56 h GLN 11 CO 0.03 1.22 -0.61 0.00 -0.67 0.00 0.00 178.83 178.80 3i56 h ARG 12 N 0.11 0.00 -0.47 1.46 3.08 -1.23 -3.29 114.38 114.05 3i56 h ARG 12 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3i56 h ARG 12 Cb 1.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.96 3i56 h ARG 12 CO 0.20 0.41 0.00 0.54 -1.07 0.00 0.00 179.97 180.05 3i56 n ARG 13 N -3.14 3.00 -2.08 0.04 1.74 -0.57 -5.00 116.66 110.64 3i56 n ARG 13 Ca 0.00 -2.42 -0.42 0.00 -0.77 0.00 0.00 57.85 54.25 3i56 n ARG 13 Cb 0.73 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.63 3i56 n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i56 s ALA 14 N -1.37 3.66 0.66 7.54 0.00 -0.95 -4.98 121.76 126.32 3i56 s ALA 14 Ca 0.35 1.20 -0.18 0.00 0.00 0.00 0.00 51.96 53.34 3i56 s ALA 14 Cb 0.21 -3.57 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 3i56 s ALA 14 CO 0.20 -0.68 1.27 -2.14 0.00 0.00 0.00 175.76 174.41 3i56 s PRO 15 N 1.16 2.51 0.24 0.00 0.02 -1.26 -4.70 135.00 132.97 3i56 s PRO 15 Ca 0.67 1.99 0.05 0.00 0.02 0.00 0.00 61.00 63.72 3i56 s PRO 15 Cb -0.39 -1.85 0.68 0.00 0.02 0.00 0.00 34.50 32.95 3i56 s PRO 15 CO 0.30 -1.61 1.18 1.28 -0.33 0.00 0.00 177.00 177.83 3i56 n LEU 16 N -2.02 -0.01 0.17 -5.54 4.77 -1.26 -0.38 117.00 112.73 3i56 n LEU 16 Ca 0.15 1.27 0.03 0.00 -0.03 0.00 0.00 56.01 57.43 3i56 n LEU 16 Cb 0.49 -0.50 0.26 0.00 -2.33 0.00 0.00 43.42 41.34 3i56 n LEU 16 CO 0.47 -1.32 0.60 1.12 -1.33 0.00 0.00 177.39 176.93 3i56 h HIS 17 N 0.00 0.00 -0.01 -1.77 2.07 -2.01 -2.61 115.15 110.82 3i56 h HIS 17 Ca 0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.02 3i56 h HIS 17 Cb 1.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.10 3i56 h HIS 17 CO -0.30 0.48 -0.01 0.39 -3.07 0.00 0.00 177.93 175.42 3i56 n GLU 18 N -3.63 1.30 0.00 5.12 1.02 0.49 -3.26 120.64 121.68 3i56 n GLU 18 Ca -0.01 -0.49 0.13 0.00 -0.02 0.00 0.00 57.16 56.77 3i56 n GLU 18 Cb 0.56 -1.49 0.28 0.00 -0.02 0.00 0.00 31.44 30.77 3i56 n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i56 n ARG 19 N -0.42 1.14 -0.22 3.49 1.74 -0.98 -4.03 116.66 117.38 3i56 n ARG 19 Ca 0.21 -0.78 -0.08 0.00 -0.77 0.00 0.00 57.85 56.42 3i56 n ARG 19 Cb 0.24 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.23 3i56 n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i56 h HIS 20 N 1.90 1.13 0.00 -1.55 3.86 -1.66 -2.64 115.15 116.20 3i56 h HIS 20 Ca 0.00 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 3i56 h HIS 20 Cb 0.60 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.76 3i56 h HIS 20 CO 0.00 0.97 0.00 1.57 0.86 0.00 0.00 177.93 181.33 3i56 h LYS 21 N 0.97 0.00 0.00 2.45 2.10 -1.82 -1.83 116.57 118.44 3i56 h LYS 21 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 3i56 h LYS 21 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 3i56 h LYS 21 CO 0.02 0.00 -0.36 1.96 -2.00 0.00 0.00 179.45 179.06 3i56 h GLN 22 N 0.00 0.00 -0.89 0.07 4.20 -1.70 -3.30 115.11 113.49 3i56 h GLN 22 Ca 0.00 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.13 3i56 h GLN 22 Cb 0.26 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 27.74 3i56 h GLN 22 CO 0.00 0.00 0.46 1.33 -0.67 0.00 0.00 178.83 179.95 3i56 n VAL 23 N -2.76 3.27 -3.66 -0.54 0.24 -0.69 -4.75 118.33 109.44 3i56 n VAL 23 Ca 0.03 -2.93 -0.37 0.00 -2.04 0.00 0.00 64.34 59.03 3i56 n VAL 23 Cb 0.51 -0.94 -0.06 0.00 -1.47 0.00 0.00 33.84 31.89 3i56 n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3i56 s ARG 24 N -3.63 3.78 0.07 7.34 0.52 -1.24 -1.95 118.95 123.84 3i56 s ARG 24 Ca 0.59 0.13 0.05 0.00 -0.52 0.00 0.00 55.73 55.99 3i56 s ARG 24 Cb 0.48 -3.24 -0.03 0.00 0.52 0.00 0.00 34.95 32.67 3i56 s ARG 24 CO 0.02 0.65 -0.14 0.00 0.02 0.00 0.00 175.30 175.85 3i56 s ALA 25 N -0.80 1.20 0.36 2.13 0.00 -0.72 -4.19 121.76 119.74 3i56 s ALA 25 Ca 0.19 -1.02 -0.27 0.00 0.00 0.00 0.00 51.96 50.86 3i56 s ALA 25 Cb -0.14 -0.10 -0.09 0.00 0.00 0.00 0.00 23.12 22.79 3i56 s ALA 25 CO 0.08 0.17 1.27 -0.08 0.00 0.00 0.00 175.76 177.19 3i56 s THR 26 N -1.31 2.82 0.30 0.00 -1.32 -1.23 -1.71 115.64 113.19 3i56 s THR 26 Ca -0.01 0.77 -0.09 0.00 -1.21 0.00 0.00 61.69 61.15 3i56 s THR 26 Cb -0.10 -3.47 -0.06 0.00 -1.51 0.00 0.00 72.50 67.36 3i56 s THR 26 CO 0.02 0.14 0.62 -0.76 -2.21 0.00 0.00 174.62 172.44 3i56 s LEU 27 N -2.09 4.03 1.05 9.08 1.43 0.41 -0.98 118.68 131.61 3i56 s LEU 27 Ca 0.52 0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 54.43 3i56 s LEU 27 Cb -0.37 -3.75 0.21 0.00 0.03 0.00 0.00 46.19 42.31 3i56 s LEU 27 CO 0.48 -0.21 1.09 -0.94 0.23 0.00 0.00 176.35 177.00 3i56 s SER 28 N -2.83 2.20 0.19 2.29 1.04 -1.05 -4.74 113.70 110.79 3i56 s SER 28 Ca 0.48 1.09 -0.11 0.00 0.48 0.00 0.00 55.95 57.88 3i56 s SER 28 Cb -0.11 -1.69 0.17 0.00 0.10 0.00 0.00 66.02 64.49 3i56 s SER 28 CO 0.26 -3.38 1.81 0.00 0.98 0.00 0.00 173.24 172.91 3i56 h ALA 29 N -2.07 0.77 -0.85 5.32 0.00 -1.99 -1.79 119.26 118.66 3i56 h ALA 29 Ca -0.54 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 3i56 h ALA 29 Cb 1.33 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 3i56 h ALA 29 CO 0.54 0.01 0.45 -0.44 0.00 0.00 0.00 179.25 179.81 3i56 h ASP 30 N 0.63 1.08 0.61 0.00 3.32 -1.99 -2.67 116.42 117.40 3i56 h ASP 30 Ca 0.25 -0.11 -0.18 0.00 0.02 0.00 0.00 57.03 57.01 3i56 h ASP 30 Cb 0.12 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3i56 h ASP 30 CO -0.15 0.89 -0.81 -0.07 -1.72 0.00 0.00 179.24 177.38 3i56 h LEU 31 N 1.20 0.18 -0.89 1.55 3.38 -1.86 -2.17 115.31 116.69 3i56 h LEU 31 Ca 0.30 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 3i56 h LEU 31 Cb 0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3i56 h LEU 31 CO -0.04 0.91 -0.38 0.03 0.09 0.00 0.00 178.44 179.05 3i56 h ARG 32 N 0.09 0.34 -0.18 1.13 3.08 -1.16 -1.54 114.38 116.13 3i56 h ARG 32 Ca -0.03 -0.16 -0.20 0.00 0.07 0.00 0.00 59.98 59.66 3i56 h ARG 32 Cb 1.41 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.46 3i56 h ARG 32 CO 0.12 0.68 -0.69 1.49 -1.07 0.00 0.00 179.97 180.50 3i56 h GLU 33 N 0.29 0.73 -0.08 0.04 4.57 -1.42 -0.79 114.58 117.93 3i56 h GLU 33 Ca 0.03 -0.55 -0.20 0.00 -1.18 0.00 0.00 59.36 57.47 3i56 h GLU 33 Cb 0.80 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.49 3i56 h GLU 33 CO 0.06 1.17 -0.77 1.49 -1.18 0.00 0.00 179.01 179.78 3i56 h GLU 34 N 0.52 0.46 0.00 1.92 4.81 -1.13 -3.38 114.58 117.79 3i56 h GLU 34 Ca -0.03 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3i56 h GLU 34 Cb 1.30 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.76 3i56 h GLU 34 CO 0.14 1.03 -0.75 0.66 -0.73 0.00 0.00 179.01 179.37 3i56 n TYR 35 N -3.84 0.00 -2.58 0.92 4.02 -0.60 -5.04 117.16 110.04 3i56 n TYR 35 Ca -0.05 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.78 3i56 n TYR 35 Cb 0.73 -0.07 0.01 0.00 -0.02 0.00 0.00 39.34 40.00 3i56 n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i56 n GLY 36 N 1.60 0.43 3.03 2.72 0.00 -0.30 -4.81 105.19 107.85 3i56 n GLY 36 Ca 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 3i56 n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i56 s GLN 37 N -5.02 0.46 -0.08 1.61 -0.21 -1.24 -5.07 119.66 110.10 3i56 s GLN 37 Ca 0.11 -0.74 -0.09 0.00 0.02 0.00 0.00 55.36 54.66 3i56 s GLN 37 Cb -0.05 -0.11 -0.28 0.00 1.00 0.00 0.00 33.01 33.57 3i56 s GLN 37 CO 0.14 0.00 0.51 -0.09 -2.12 0.00 0.00 175.29 173.73 3i56 h ARG 38 N 4.45 0.33 -4.96 2.91 2.43 -1.95 -3.38 114.38 114.20 3i56 h ARG 38 Ca -0.34 -0.56 -0.42 0.00 -0.81 0.00 0.00 59.98 57.84 3i56 h ARG 38 Cb 1.20 0.21 -0.14 0.00 -0.42 0.00 0.00 29.97 30.82 3i56 h ARG 38 CO 0.43 1.26 -0.58 0.54 -1.51 0.00 0.00 179.97 180.11 3i56 s ASN 39 N -7.16 1.75 0.02 -3.80 4.22 -1.26 -0.44 114.94 108.26 3i56 s ASN 39 Ca -0.19 -1.49 -0.15 0.00 -2.14 0.00 0.00 52.86 48.89 3i56 s ASN 39 Cb 0.06 0.25 0.02 0.00 1.28 0.00 0.00 41.25 42.87 3i56 s ASN 39 CO 0.81 -0.80 0.33 0.54 -2.04 0.00 0.00 177.10 175.94 3i56 s VAL 40 N -3.55 0.07 -0.23 3.54 0.11 -0.69 -4.85 120.40 114.80 3i56 s VAL 40 Ca 0.35 -0.56 -0.29 0.00 -2.93 0.00 0.00 61.98 58.55 3i56 s VAL 40 Cb 0.06 -0.81 -0.02 0.00 -1.53 0.00 0.00 36.38 34.08 3i56 s VAL 40 CO 0.15 -0.31 1.46 -0.60 -3.33 0.00 0.00 175.10 172.48 3i56 s ARG 41 N -2.01 3.91 0.23 1.54 3.00 -1.25 -1.76 118.95 122.60 3i56 s ARG 41 Ca -0.09 1.54 -0.31 0.00 -1.00 0.00 0.00 55.73 55.87 3i56 s ARG 41 Cb -0.03 -3.95 -0.11 0.00 0.00 0.00 0.00 34.95 30.87 3i56 s ARG 41 CO 0.00 -1.14 1.58 0.08 0.00 0.00 0.00 175.30 175.82 3i56 s VAL 42 N 4.65 2.36 0.23 7.11 1.01 -0.82 -4.98 120.40 129.95 3i56 s VAL 42 Ca 0.64 0.28 0.10 0.00 0.00 0.00 0.00 61.98 63.00 3i56 s VAL 42 Cb -0.22 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3i56 s VAL 42 CO 0.25 0.03 -0.11 0.20 0.00 0.00 0.00 175.10 175.48 3i56 s ASN 43 N 0.79 4.09 0.00 3.32 0.01 -1.26 -5.01 114.94 116.87 3i56 s ASN 43 Ca 0.67 -0.73 0.00 0.00 -0.71 0.00 0.00 52.86 52.09 3i56 s ASN 43 Cb -0.46 -0.61 0.00 0.00 0.41 0.00 0.00 41.25 40.60 3i56 s ASN 43 CO 0.39 0.06 0.25 0.00 -1.51 0.00 0.00 177.10 176.29 3i56 n ALA 44 N -0.33 1.70 0.00 0.60 0.00 -1.26 -2.08 120.51 119.14 3i56 n ALA 44 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3i56 n ALA 44 Cb 0.57 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3i56 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i56 n GLY 45 N 0.34 0.00 3.76 0.00 0.00 -1.25 -4.61 105.19 103.43 3i56 n GLY 45 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3i56 n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i56 s ASP 46 N -1.37 5.65 -0.09 1.61 1.01 -0.88 -4.60 116.67 117.99 3i56 s ASP 46 Ca 0.00 2.80 -0.12 0.00 0.71 0.00 0.00 52.55 55.94 3i56 s ASP 46 Cb 0.00 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 3i56 s ASP 46 CO 0.00 -1.31 0.29 -0.89 0.21 0.00 0.00 175.17 173.46 3i56 s THR 47 N -1.27 5.27 0.02 -1.27 2.01 0.11 -1.74 115.64 118.77 3i56 s THR 47 Ca 0.66 0.55 0.01 0.00 0.31 0.00 0.00 61.69 63.22 3i56 s THR 47 Cb -0.41 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 3i56 s THR 47 CO 0.51 0.52 -0.05 -0.69 -0.69 0.00 0.00 174.62 174.22 3i56 s VAL 48 N -0.51 0.35 -0.07 3.82 1.01 0.46 -1.30 120.40 124.16 3i56 s VAL 48 Ca 0.19 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3i56 s VAL 48 Cb -0.14 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 3i56 s VAL 48 CO 0.07 -0.29 -0.15 -1.83 0.00 0.00 0.00 175.10 172.90 3i56 s GLU 49 N -1.15 2.73 -0.09 2.72 -1.05 0.28 -1.02 118.70 121.12 3i56 s GLU 49 Ca -0.09 -0.72 -0.27 0.00 -0.15 0.00 0.00 54.97 53.74 3i56 s GLU 49 Cb -0.08 -2.42 -0.02 0.00 -0.44 0.00 0.00 34.13 31.17 3i56 s GLU 49 CO -0.00 0.49 0.88 0.08 0.95 0.00 0.00 175.26 177.66 3i56 s VAL 50 N -0.39 4.89 -0.05 1.83 1.01 -0.22 -0.50 120.40 126.97 3i56 s VAL 50 Ca 0.04 1.79 0.17 0.00 0.00 0.00 0.00 61.98 63.99 3i56 s VAL 50 Cb -0.12 -4.20 -0.26 0.00 0.00 0.00 0.00 36.38 31.79 3i56 s VAL 50 CO 0.02 0.10 0.32 0.18 0.00 0.00 0.00 175.10 175.72 3i56 n LEU 51 N 4.53 0.00 -0.00 3.92 4.77 -0.69 0.09 117.00 129.62 3i56 n LEU 51 Ca 0.05 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3i56 n LEU 51 Cb 0.50 0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3i56 n LEU 51 CO 0.50 0.09 -0.51 0.54 -1.33 0.00 0.00 177.39 176.68 3i56 n ARG 52 N -2.23 0.00 0.00 3.23 5.12 -1.19 -4.80 116.66 116.80 3i56 n ARG 52 Ca -0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 3i56 n ARG 52 Cb 0.59 -0.83 0.00 0.00 -1.16 0.00 0.00 32.46 31.06 3i56 n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i56 n GLY 53 N 3.31 -3.43 0.19 -0.13 0.00 -1.26 -4.69 105.19 99.17 3i56 n GLY 53 Ca -0.00 -1.18 0.06 0.00 0.00 0.00 0.00 46.02 44.89 3i56 n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i56 h ASP 54 N 0.00 0.00 -0.32 1.61 3.45 -2.01 -2.94 116.42 116.21 3i56 h ASP 54 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3i56 h ASP 54 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3i56 h ASP 54 CO 0.00 0.36 0.00 0.49 -1.57 0.00 0.00 179.24 178.52 3i56 n PHE 55 N -3.42 0.82 -1.80 4.55 3.01 -1.26 -4.97 117.46 114.39 3i56 n PHE 55 Ca 0.00 -0.32 -0.41 0.00 1.01 0.00 0.00 57.45 57.74 3i56 n PHE 55 Cb 0.54 -0.18 -0.00 0.00 -0.01 0.00 0.00 39.48 39.82 3i56 n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i56 s ALA 56 N -1.73 3.60 0.00 4.37 0.00 -1.11 -2.78 121.76 124.11 3i56 s ALA 56 Ca 0.26 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.80 3i56 s ALA 56 Cb 0.18 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3i56 s ALA 56 CO 0.12 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.23 3i56 n GLY 57 N 0.69 2.96 3.78 0.00 0.00 0.11 -4.99 105.19 107.74 3i56 n GLY 57 Ca 0.02 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 3i56 n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i56 s GLU 58 N 0.00 3.71 0.20 1.61 2.02 -1.12 -4.74 118.70 120.37 3i56 s GLU 58 Ca 0.00 1.63 0.11 0.00 0.02 0.00 0.00 54.97 56.74 3i56 s GLU 58 Cb 0.00 -2.26 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 3i56 s GLU 58 CO 0.00 -0.56 -0.24 -2.00 0.02 0.00 0.00 175.26 172.48 3i56 s GLU 59 N -2.92 1.52 -0.06 1.61 2.12 -1.26 -1.05 118.70 118.66 3i56 s GLU 59 Ca 0.66 -1.54 -0.31 0.00 0.36 0.00 0.00 54.97 54.14 3i56 s GLU 59 Cb -0.25 -1.84 0.13 0.00 0.26 0.00 0.00 34.13 32.43 3i56 s GLU 59 CO 0.29 0.40 1.37 0.20 -0.54 0.00 0.00 175.26 176.98 3i56 s GLY 60 N -2.70 -0.40 0.02 -1.50 0.00 -0.19 -4.93 107.32 97.61 3i56 s GLY 60 Ca 0.21 0.69 -0.23 0.00 0.00 0.00 0.00 44.72 45.39 3i56 s GLY 60 CO 0.10 1.50 0.70 1.85 0.00 0.00 0.00 173.10 177.25 3i56 s GLU 61 N -2.14 4.43 -0.37 2.90 2.12 -1.26 -0.40 118.70 123.97 3i56 s GLU 61 Ca 0.18 0.94 -0.29 0.00 0.36 0.00 0.00 54.97 56.16 3i56 s GLU 61 Cb 0.05 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 31.08 3i56 s GLU 61 CO -0.05 0.29 1.48 0.08 -0.54 0.00 0.00 175.26 176.52 3i56 s VAL 62 N -0.02 3.84 0.02 3.70 1.01 -0.71 -0.39 120.40 127.85 3i56 s VAL 62 Ca 0.36 0.87 -0.09 0.00 0.00 0.00 0.00 61.98 63.12 3i56 s VAL 62 Cb -0.19 -4.07 -0.31 0.00 0.00 0.00 0.00 36.38 31.80 3i56 s VAL 62 CO 0.21 -0.64 0.95 0.40 0.00 0.00 0.00 175.10 176.02 3i56 h ILE 63 N 6.45 1.25 -3.20 2.22 1.08 -0.18 -3.34 117.51 121.79 3i56 h ILE 63 Ca -0.29 -2.79 -0.12 0.00 -0.39 0.00 0.00 64.86 61.28 3i56 h ILE 63 Cb 1.12 2.91 -0.19 0.00 -3.07 0.00 0.00 36.82 37.59 3i56 h ILE 63 CO 1.07 0.84 -0.32 0.21 -0.69 0.00 0.00 178.15 179.26 3i56 s ASN 64 N -7.29 -0.12 -0.15 1.72 2.47 -1.13 -4.92 114.94 105.51 3i56 s ASN 64 Ca -0.09 -0.05 -0.02 0.00 0.42 0.00 0.00 52.86 53.12 3i56 s ASN 64 Cb 0.06 0.30 0.04 0.00 -1.45 0.00 0.00 41.25 40.20 3i56 s ASN 64 CO 0.90 -0.47 -0.01 -0.69 -3.72 0.00 0.00 177.10 173.10 3i56 s VAL 65 N -1.66 0.72 -0.31 -5.21 1.01 -1.26 -0.69 120.40 113.00 3i56 s VAL 65 Ca -0.12 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 3i56 s VAL 65 Cb -0.04 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 3i56 s VAL 65 CO 0.02 0.04 0.19 -0.62 0.00 0.00 0.00 175.10 174.73 3i56 s ASP 66 N 1.80 5.84 0.05 3.32 -1.08 0.48 -4.98 116.67 122.09 3i56 s ASP 66 Ca 0.01 -0.35 -0.17 0.00 -0.52 0.00 0.00 52.55 51.52 3i56 s ASP 66 Cb -0.15 -2.08 -0.19 0.00 -1.46 0.00 0.00 42.92 39.04 3i56 s ASP 66 CO -0.07 -0.17 1.22 -0.07 0.52 0.00 0.00 175.17 176.60 3i56 h LEU 67 N 8.41 0.68 -0.29 -1.34 3.38 -1.94 -0.34 115.31 123.87 3i56 h LEU 67 Ca -0.33 -0.67 0.05 0.00 0.09 0.00 0.00 57.88 57.03 3i56 h LEU 67 Cb 1.16 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 3i56 h LEU 67 CO 0.61 1.24 -0.02 -0.78 0.09 0.00 0.00 178.44 179.57 3i56 h ASP 68 N 0.17 -0.17 0.71 -0.43 3.58 -1.95 -2.11 116.42 116.22 3i56 h ASP 68 Ca -0.05 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.47 3i56 h ASP 68 Cb 1.25 0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.44 3i56 h ASP 68 CO 0.12 -0.05 -0.51 0.29 -2.88 0.00 0.00 179.24 176.21 3i56 n LYS 69 N -5.19 0.13 -3.53 0.28 5.02 -1.25 -4.97 118.16 108.64 3i56 n LYS 69 Ca -0.00 0.04 -0.19 0.00 -2.02 0.00 0.00 58.31 56.14 3i56 n LYS 69 Cb 0.16 -1.58 0.07 0.00 -0.02 0.00 0.00 35.03 33.65 3i56 n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i56 n ALA 70 N -1.64 -2.02 -2.63 7.82 0.00 -0.27 -5.04 120.51 116.73 3i56 n ALA 70 Ca 0.05 -0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 3i56 n ALA 70 Cb 0.38 -2.26 -0.11 0.00 0.00 0.00 0.00 19.45 17.47 3i56 n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i56 s VAL 71 N -3.48 0.38 0.13 0.00 1.01 -0.44 -4.68 120.40 113.32 3i56 s VAL 71 Ca 0.00 -1.32 0.10 0.00 0.00 0.00 0.00 61.98 60.77 3i56 s VAL 71 Cb -0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 3i56 s VAL 71 CO 0.76 -0.62 -0.23 0.27 0.00 0.00 0.00 175.10 175.28 3i56 s ILE 72 N -2.28 2.48 -0.26 2.22 -4.36 -0.81 -0.39 121.20 117.80 3i56 s ILE 72 Ca -0.05 -1.71 -0.06 0.00 -0.26 0.00 0.00 60.65 58.58 3i56 s ILE 72 Cb -0.04 -2.13 -0.00 0.00 1.25 0.00 0.00 42.46 41.54 3i56 s ILE 72 CO -0.03 0.06 0.03 -1.00 0.24 0.00 0.00 174.94 174.25 3i56 s HIS 73 N -1.17 3.07 0.10 1.37 3.76 0.13 -1.77 115.29 120.78 3i56 s HIS 73 Ca 0.16 -0.86 0.03 0.00 -0.15 0.00 0.00 55.06 54.25 3i56 s HIS 73 Cb -0.10 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.36 3i56 s HIS 73 CO 0.08 -0.52 0.11 0.08 -0.85 0.00 0.00 174.74 173.64 3i56 s VAL 74 N 1.51 4.60 0.19 -0.90 1.01 -1.26 0.52 120.40 126.08 3i56 s VAL 74 Ca 0.04 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 3i56 s VAL 74 Cb -0.16 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.87 3i56 s VAL 74 CO 0.01 0.06 1.38 -0.70 0.00 0.00 0.00 175.10 175.85 3i56 s GLU 75 N -2.60 4.33 0.00 2.72 2.12 0.47 -3.14 118.70 122.60 3i56 s GLU 75 Ca 0.30 2.14 0.00 0.00 0.36 0.00 0.00 54.97 57.77 3i56 s GLU 75 Cb -0.12 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.09 3i56 s GLU 75 CO 0.23 -0.36 0.00 -0.25 -0.54 0.00 0.00 175.26 174.34 3i56 n ASP 76 N 2.91 -0.00 -4.35 -1.70 9.92 -1.26 -4.56 116.55 117.50 3i56 n ASP 76 Ca 0.08 0.00 -0.44 0.00 -0.53 0.00 0.00 54.79 53.90 3i56 n ASP 76 Cb 0.42 -0.85 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 3i56 n ASP 76 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3i56 n VAL 77 N -2.00 4.38 -4.36 2.53 0.31 -1.19 -4.96 118.33 113.05 3i56 n VAL 77 Ca 0.00 -4.89 -0.21 0.00 -0.01 0.00 0.00 64.34 59.23 3i56 n VAL 77 Cb 0.00 -2.47 -0.11 0.00 -0.91 0.00 0.00 33.84 30.36 3i56 n VAL 77 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3i56 s THR 78 N 0.62 1.93 -0.08 2.52 -4.23 -1.26 -1.45 115.64 113.68 3i56 s THR 78 Ca 0.39 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 58.84 3i56 s THR 78 Cb -0.03 -1.99 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 3i56 s THR 78 CO -0.01 -0.40 -0.14 -0.76 -0.54 0.00 0.00 174.62 172.77 3i56 s LEU 79 N -2.98 2.73 -0.28 4.79 1.43 0.62 -4.81 118.68 120.17 3i56 s LEU 79 Ca 0.20 -0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 52.84 3i56 s LEU 79 Cb -0.04 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 3i56 s LEU 79 CO 0.08 0.29 0.76 -0.70 0.23 0.00 0.00 176.35 177.01 3i56 s GLU 80 N -0.39 4.04 1.08 1.70 2.12 -1.26 -1.56 118.70 124.42 3i56 s GLU 80 Ca 0.04 0.64 -0.18 0.00 0.36 0.00 0.00 54.97 55.83 3i56 s GLU 80 Cb -0.12 -3.69 0.26 0.00 0.26 0.00 0.00 34.13 30.83 3i56 s GLU 80 CO 0.02 -0.58 1.28 0.15 -0.54 0.00 0.00 175.26 175.59 3i56 s LYS 81 N 2.82 -0.32 0.16 4.30 1.02 0.38 -4.97 119.74 123.13 3i56 s LYS 81 Ca 0.31 -0.43 -0.08 0.00 0.02 0.00 0.00 55.97 55.79 3i56 s LYS 81 Cb -0.15 -1.74 0.02 0.00 -0.52 0.00 0.00 37.83 35.44 3i56 s LYS 81 CO 0.10 -3.06 1.49 1.15 -0.92 0.00 0.00 175.35 174.12 3i56 h THR 82 N -2.10 1.28 0.00 2.17 2.02 -1.97 -2.94 112.91 111.37 3i56 h THR 82 Ca -0.43 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.14 3i56 h THR 82 Cb 1.23 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 3i56 h THR 82 CO 0.30 0.53 0.00 -0.90 0.37 0.00 0.00 175.52 175.82 3i56 n ASP 83 N -4.03 0.00 0.00 4.18 5.75 -1.26 -4.84 116.55 116.34 3i56 n ASP 83 Ca -0.02 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 3i56 n ASP 83 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 3i56 n ASP 83 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i56 n GLY 84 N 0.56 1.21 3.80 6.12 0.00 -1.11 -5.05 105.19 110.73 3i56 n GLY 84 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3i56 n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i56 s GLU 85 N -0.35 3.61 -0.31 1.61 2.12 -1.26 -4.77 118.70 119.35 3i56 s GLU 85 Ca 0.00 1.26 -0.01 0.00 0.36 0.00 0.00 54.97 56.58 3i56 s GLU 85 Cb 0.00 -2.07 0.06 0.00 0.26 0.00 0.00 34.13 32.38 3i56 s GLU 85 CO 0.00 -0.58 0.01 -1.21 -0.54 0.00 0.00 175.26 172.94 3i56 s GLU 86 N -3.65 2.34 0.06 4.30 2.02 -1.26 -0.47 118.70 122.04 3i56 s GLU 86 Ca 0.65 -1.34 0.01 0.00 0.02 0.00 0.00 54.97 54.31 3i56 s GLU 86 Cb -0.16 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 3i56 s GLU 86 CO 0.28 -0.66 0.16 0.14 0.02 0.00 0.00 175.26 175.19 3i56 s VAL 87 N 1.22 5.09 0.42 2.63 -7.23 -0.60 -4.90 120.40 117.03 3i56 s VAL 87 Ca -0.04 -0.49 -0.25 0.00 -1.81 0.00 0.00 61.98 59.39 3i56 s VAL 87 Cb -0.20 -3.46 -0.08 0.00 0.56 0.00 0.00 36.38 33.20 3i56 s VAL 87 CO -0.02 0.16 1.31 -2.16 -0.31 0.00 0.00 175.10 174.08 3i56 s PRO 88 N -2.38 3.87 -0.33 4.82 0.04 -1.26 -0.28 135.00 139.47 3i56 s PRO 88 Ca 0.32 2.16 -0.12 0.00 0.04 0.00 0.00 61.00 63.40 3i56 s PRO 88 Cb -0.13 -2.69 -0.02 0.00 0.04 0.00 0.00 34.50 31.70 3i56 s PRO 88 CO 0.25 -0.58 0.23 0.50 0.04 0.00 0.00 177.00 177.44 3i56 s ARG 89 N -2.33 3.52 0.42 4.56 6.06 -0.53 -4.71 118.95 125.93 3i56 s ARG 89 Ca 0.59 -0.63 -0.26 0.00 -2.50 0.00 0.00 55.73 52.93 3i56 s ARG 89 Cb -0.38 -3.78 -0.09 0.00 0.06 0.00 0.00 34.95 30.75 3i56 s ARG 89 CO 0.49 -0.42 1.45 -2.30 -2.50 0.00 0.00 175.30 172.01 3i56 n PRO 90 N 5.09 2.40 -4.56 5.12 -0.02 -1.26 -4.68 135.00 137.09 3i56 n PRO 90 Ca -0.13 0.85 -0.23 0.00 -2.02 0.00 0.00 63.50 61.97 3i56 n PRO 90 Cb 0.50 -2.63 -0.16 0.00 -0.02 0.00 0.00 33.50 31.19 3i56 n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i56 s LEU 91 N -2.39 1.81 0.19 2.45 1.43 -0.73 -4.99 118.68 116.45 3i56 s LEU 91 Ca 0.58 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 53.13 3i56 s LEU 91 Cb -0.46 -0.72 -0.08 0.00 0.03 0.00 0.00 46.19 44.96 3i56 s LEU 91 CO 0.60 0.09 1.00 -0.62 0.23 0.00 0.00 176.35 177.65 3i56 s ASP 92 N 0.19 7.47 0.38 2.29 -1.08 -1.26 -1.93 116.67 122.72 3i56 s ASP 92 Ca -0.04 1.97 0.27 0.00 -0.52 0.00 0.00 52.55 54.22 3i56 s ASP 92 Cb -0.10 -2.60 1.29 0.00 -1.46 0.00 0.00 42.92 40.05 3i56 s ASP 92 CO 0.01 -0.04 1.82 0.71 0.52 0.00 0.00 175.17 178.20 3i56 h THR 93 N 3.58 0.00 -0.03 1.71 1.35 -1.85 -2.37 112.91 115.31 3i56 h THR 93 Ca -0.44 -0.17 -0.14 0.00 -0.55 0.00 0.00 66.41 65.11 3i56 h THR 93 Cb 1.21 0.90 -0.02 0.00 -1.73 0.00 0.00 68.15 68.51 3i56 h THR 93 CO 0.70 0.00 -0.61 -1.28 -0.25 0.00 0.00 175.52 174.08 3i56 h SER 94 N 0.00 0.11 -0.26 5.36 0.87 -1.90 -2.60 113.55 115.13 3i56 h SER 94 Ca 0.00 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 3i56 h SER 94 Cb 0.22 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3i56 h SER 94 CO 0.00 0.69 0.02 0.59 -0.53 0.00 0.00 176.83 177.60 3i56 n ASN 95 N -3.84 3.05 -4.11 6.23 3.02 -0.89 -4.89 115.26 113.83 3i56 n ASN 95 Ca -0.02 -2.42 -0.11 0.00 -0.03 0.00 0.00 54.58 52.00 3i56 n ASN 95 Cb 0.61 -0.59 -0.11 0.00 -0.61 0.00 0.00 39.78 39.09 3i56 n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i56 s VAL 96 N -1.73 0.55 -0.01 2.41 1.01 -0.98 -1.71 120.40 119.95 3i56 s VAL 96 Ca 0.23 -1.57 0.02 0.00 0.00 0.00 0.00 61.98 60.66 3i56 s VAL 96 Cb 0.18 -1.22 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 3i56 s VAL 96 CO 0.07 -0.70 -0.07 -0.60 0.00 0.00 0.00 175.10 173.80 3i56 s ARG 97 N -2.94 0.62 0.01 2.72 3.52 0.34 -3.52 118.95 119.70 3i56 s ARG 97 Ca 0.02 -0.23 -0.24 0.00 -0.13 0.00 0.00 55.73 55.15 3i56 s ARG 97 Cb -0.00 -0.60 -0.05 0.00 -1.56 0.00 0.00 34.95 32.73 3i56 s ARG 97 CO -0.03 0.12 0.71 0.08 -0.81 0.00 0.00 175.30 175.37 3i56 s VAL 98 N -0.00 4.83 -0.09 7.11 1.01 -0.15 0.10 120.40 133.20 3i56 s VAL 98 Ca 0.00 1.51 0.07 0.00 0.00 0.00 0.00 61.98 63.57 3i56 s VAL 98 Cb -0.05 -4.06 -0.11 0.00 0.00 0.00 0.00 36.38 32.17 3i56 s VAL 98 CO -0.00 0.36 0.02 0.35 0.00 0.00 0.00 175.10 175.82 3i56 n THR 99 N 2.96 0.62 -3.75 3.92 -2.24 -0.42 -2.54 114.28 112.83 3i56 n THR 99 Ca -0.03 -0.37 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 3i56 n THR 99 Cb 0.51 -0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 67.86 3i56 n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i56 s ASP 100 N -4.21 -0.38 0.37 3.42 -1.08 -1.13 -4.97 116.67 108.69 3i56 s ASP 100 Ca -0.06 0.73 0.07 0.00 -0.52 0.00 0.00 52.55 52.77 3i56 s ASP 100 Cb 0.03 0.74 -0.02 0.00 -1.46 0.00 0.00 42.92 42.21 3i56 s ASP 100 CO 0.36 -0.15 0.37 -0.76 0.52 0.00 0.00 175.17 175.51 3i56 s LEU 101 N 0.13 3.60 -0.36 -1.34 1.43 -1.26 0.08 118.68 120.96 3i56 s LEU 101 Ca -0.01 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 3i56 s LEU 101 Cb -0.03 -2.30 0.10 0.00 0.03 0.00 0.00 46.19 43.99 3i56 s LEU 101 CO 0.01 -0.49 0.10 -0.62 0.23 0.00 0.00 176.35 175.57 3i56 s ASP 102 N -4.10 4.94 -0.54 2.29 2.15 -1.26 -4.80 116.67 115.35 3i56 s ASP 102 Ca 0.45 -2.03 0.01 0.00 0.43 0.00 0.00 52.55 51.41 3i56 s ASP 102 Cb -0.06 -1.70 0.54 0.00 -0.30 0.00 0.00 42.92 41.40 3i56 s ASP 102 CO 0.28 -0.42 1.96 0.18 -0.17 0.00 0.00 175.17 177.00 3i56 n LEU 103 N 4.40 7.11 0.28 -1.34 4.77 -1.26 -4.57 117.00 126.39 3i56 n LEU 103 Ca 0.00 -3.86 0.17 0.00 -0.03 0.00 0.00 56.01 52.28 3i56 n LEU 103 Cb 0.42 -0.90 0.80 0.00 -2.33 0.00 0.00 43.42 41.40 3i56 n LEU 103 CO 0.26 1.23 1.02 -0.33 -1.33 0.00 0.00 177.39 178.24 3i56 h GLU 104 N 1.44 0.00 -6.09 3.23 5.08 -2.02 -3.42 114.58 112.80 3i56 h GLU 104 Ca 0.60 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.40 3i56 h GLU 104 Cb 1.86 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.05 3i56 h GLU 104 CO 1.30 0.05 0.01 0.34 -1.00 0.00 0.00 179.01 179.71 3i56 s ASP 105 N -5.72 6.99 0.14 1.42 2.15 -1.26 -4.97 116.67 115.42 3i56 s ASP 105 Ca -0.01 1.18 -0.12 0.00 0.43 0.00 0.00 52.55 54.03 3i56 s ASP 105 Cb 0.11 -2.38 -0.01 0.00 -0.30 0.00 0.00 42.92 40.34 3i56 s ASP 105 CO 0.53 0.07 1.53 -0.33 -0.17 0.00 0.00 175.17 176.81 3i56 h GLU 106 N 5.75 0.87 -0.46 4.34 5.08 -2.00 -3.18 114.58 124.99 3i56 h GLU 106 Ca -0.45 -0.36 -0.12 0.00 -1.00 0.00 0.00 59.36 57.44 3i56 h GLU 106 Cb 1.20 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 3i56 h GLU 106 CO 0.70 1.00 -0.18 0.87 -1.00 0.00 0.00 179.01 180.40 3i56 h LYS 107 N 0.70 0.89 -0.43 2.33 1.57 -1.95 -2.44 116.57 117.24 3i56 h LYS 107 Ca 0.10 -0.35 -0.12 0.00 -1.87 0.00 0.00 60.65 58.42 3i56 h LYS 107 Cb 0.71 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3i56 h LYS 107 CO 0.05 1.00 -0.19 -0.09 -0.57 0.00 0.00 179.45 179.65 3i56 h ARG 108 N 0.78 0.89 -0.27 3.15 2.43 -1.95 -1.91 114.38 117.50 3i56 h ARG 108 Ca 0.11 -0.38 -0.12 0.00 -0.81 0.00 0.00 59.98 58.79 3i56 h ARG 108 Cb 0.72 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 3i56 h ARG 108 CO 0.06 1.03 -0.31 1.49 -1.51 0.00 0.00 179.97 180.72 3i56 h GLU 109 N 0.72 0.57 0.00 0.20 4.81 -1.56 -0.63 114.58 118.69 3i56 h GLU 109 Ca 0.10 -0.25 -0.07 0.00 -0.13 0.00 0.00 59.36 59.01 3i56 h GLU 109 Cb 0.75 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3i56 h GLU 109 CO 0.06 0.82 -0.33 0.00 -0.73 0.00 0.00 179.01 178.83 3i56 h ALA 110 N 1.17 1.07 0.06 2.92 0.00 -1.30 -1.58 119.26 121.60 3i56 h ALA 110 Ca 0.06 -0.30 -0.28 0.00 0.00 0.00 0.00 54.91 54.39 3i56 h ALA 110 Cb 0.78 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3i56 h ALA 110 CO 0.06 0.41 -1.48 -0.09 0.00 0.00 0.00 179.25 178.15 3i56 h ARG 111 N 0.00 0.12 0.00 0.00 2.43 -1.01 -3.15 114.38 112.77 3i56 h ARG 111 Ca -0.00 -0.21 -0.15 0.00 -0.81 0.00 0.00 59.98 58.81 3i56 h ARG 111 Cb 0.79 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 3i56 h ARG 111 CO 0.04 0.91 -0.71 -0.07 -1.51 0.00 0.00 179.97 178.64 3i56 h LEU 112 N 0.03 0.00 0.00 3.80 3.38 -0.86 -3.31 115.31 118.36 3i56 h LEU 112 Ca -0.21 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 3i56 h LEU 112 Cb 1.96 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.68 3i56 h LEU 112 CO 0.13 0.71 -1.34 -0.33 0.09 0.00 0.00 178.44 177.70 3i56 h GLU 113 N 0.00 0.00 -6.23 1.13 5.08 -1.42 -3.45 114.58 109.69 3i56 h GLU 113 Ca -0.01 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.79 3i56 h GLU 113 Cb 1.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 3i56 h GLU 113 CO 0.09 0.25 0.70 -1.54 -1.00 0.00 0.00 179.01 177.52 3i56 s SER 114 N -5.74 7.11 0.31 1.42 1.04 -1.19 -4.92 113.70 111.73 3i56 s SER 114 Ca -0.02 1.63 0.26 0.00 0.48 0.00 0.00 55.95 58.29 3i56 s SER 114 Cb 0.09 -2.55 1.04 0.00 0.10 0.00 0.00 66.02 64.69 3i56 s SER 114 CO 0.81 -0.58 1.77 1.05 0.98 0.00 0.00 173.24 177.26 3i56 h GLU 115 N 7.45 0.00 0.00 4.02 4.11 -1.89 -3.05 114.58 125.23 3i56 h GLU 115 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 3i56 h GLU 115 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3i56 h GLU 115 CO 0.90 0.00 -0.30 -0.44 0.07 0.00 0.00 179.01 179.24 3i56 h ASP 116 N 0.00 0.00 -4.05 3.06 3.32 -1.94 -3.46 116.42 113.35 3i56 h ASP 116 Ca 0.00 -0.06 -0.38 0.00 0.02 0.00 0.00 57.03 56.61 3i56 h ASP 116 Cb 0.43 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.81 3i56 h ASP 116 CO 0.00 0.03 -0.74 -0.62 -1.72 0.00 0.00 179.24 176.19 3i56 s ASP 117 N -4.96 1.87 0.01 6.45 -1.08 -1.15 -5.16 116.67 112.64 3i56 s ASP 117 Ca 0.07 -0.86 0.08 0.00 -0.52 0.00 0.00 52.55 51.32 3i56 s ASP 117 Cb 0.10 -0.04 -0.02 0.00 -1.46 0.00 0.00 42.92 41.50 3i56 s ASP 117 CO 0.67 -0.21 -0.25 -0.94 0.52 0.00 0.00 175.17 174.97 3i56 s SER 118 N -2.64 2.91 0.00 -0.34 1.04 -1.26 -4.69 113.70 108.72 3i56 s SER 118 Ca 0.10 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 56.06 3i56 s SER 118 Cb -0.03 -0.30 0.02 0.00 0.10 0.00 0.00 66.02 65.81 3i56 s SER 118 CO 0.02 0.27 0.56 0.00 0.98 0.00 0.00 173.24 175.07