#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 n ARG 2 N 0.00 2.13 -2.47 0.00 1.74 -1.26 -5.02 116.66 111.78 3i56 n ARG 2 Ca 0.00 0.76 -0.26 0.00 -0.77 0.00 0.00 57.85 57.58 3i56 n ARG 2 Cb 0.00 -2.58 0.03 0.00 -1.02 0.00 0.00 32.46 28.89 3i56 n ARG 2 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3i56 s SER 3 N -0.53 5.71 0.42 0.55 1.04 -1.26 -4.97 113.70 114.66 3i56 s SER 3 Ca 0.62 0.72 0.21 0.00 0.48 0.00 0.00 55.95 57.98 3i56 s SER 3 Cb -0.46 -1.78 0.86 0.00 0.10 0.00 0.00 66.02 64.75 3i56 s SER 3 CO 0.57 -0.97 1.81 0.00 0.98 0.00 0.00 173.24 175.63 3i56 h ALA 4 N -0.08 1.06 -0.54 5.32 0.00 -2.02 -2.90 119.26 120.10 3i56 h ALA 4 Ca -0.46 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.09 3i56 h ALA 4 Cb 1.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3i56 h ALA 4 CO 0.60 0.37 -0.07 1.88 0.00 0.00 0.00 179.25 182.03 3i56 h TYR 5 N 0.00 1.07 0.00 0.00 0.99 -2.00 -2.77 116.97 114.27 3i56 h TYR 5 Ca -0.00 -0.20 0.00 0.00 2.00 0.00 0.00 58.73 60.53 3i56 h TYR 5 Cb 0.76 -0.27 0.00 0.00 1.00 0.00 0.00 36.73 38.22 3i56 h TYR 5 CO 0.00 0.99 0.00 0.66 -0.00 0.00 0.00 178.16 179.81 3i56 h SER 6 N 0.88 0.00 0.67 3.88 4.64 -1.90 -0.74 113.55 120.98 3i56 h SER 6 Ca 0.15 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.21 3i56 h SER 6 Cb 0.61 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.66 3i56 h SER 6 CO 0.04 0.00 -1.46 1.88 -0.87 0.00 0.00 176.83 176.42 3i56 h TYR 7 N 0.00 0.00 -0.03 4.77 -1.99 -1.61 -2.30 116.97 115.81 3i56 h TYR 7 Ca 0.00 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.52 3i56 h TYR 7 Cb 0.05 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.78 3i56 h TYR 7 CO 0.00 0.98 -0.86 0.82 -0.00 0.00 0.00 178.16 179.10 3i56 h ILE 8 N 0.00 1.40 -0.15 -2.88 2.04 -1.22 -2.74 117.51 113.96 3i56 h ILE 8 Ca -0.19 -2.34 -0.05 0.00 1.00 0.00 0.00 64.86 63.28 3i56 h ILE 8 Cb 1.92 2.31 -0.00 0.00 -0.74 0.00 0.00 36.82 40.30 3i56 h ILE 8 CO 0.09 0.70 -0.10 -0.09 0.00 0.00 0.00 178.15 178.76 3i56 h ARG 9 N 0.25 0.33 0.00 2.37 2.43 -1.49 -2.64 114.38 115.63 3i56 h ARG 9 Ca -0.06 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 3i56 h ARG 9 Cb 1.48 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.02 3i56 h ARG 9 CO 0.15 0.68 -0.18 0.22 -1.51 0.00 0.00 179.97 179.33 3i56 h ASP 10 N -0.03 0.00 0.01 -3.80 1.82 -1.45 -2.30 116.42 110.67 3i56 h ASP 10 Ca 0.03 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.47 3i56 h ASP 10 Cb 0.59 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.61 3i56 h ASP 10 CO 0.03 0.18 -0.72 0.00 -1.61 0.00 0.00 179.24 177.11 3i56 h ALA 11 N 1.82 0.47 -0.00 -0.78 0.00 -1.36 -3.16 119.26 116.25 3i56 h ALA 11 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3i56 h ALA 11 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3i56 h ALA 11 CO 0.02 0.71 -0.00 0.91 0.00 0.00 0.00 179.25 180.89 3i56 n TRP 12 N -3.91 0.00 0.16 0.00 7.02 -0.88 -3.23 117.44 116.60 3i56 n TRP 12 Ca -0.06 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.44 3i56 n TRP 12 Cb 0.71 -0.01 0.23 0.00 -2.42 0.00 0.00 31.31 29.82 3i56 n TRP 12 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 3i56 h LYS 13 N 0.48 0.00 -2.57 -0.99 1.57 -1.47 -3.35 116.57 110.24 3i56 h LYS 13 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3i56 h LYS 13 Cb 0.12 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.04 3i56 h LYS 13 CO 0.00 0.52 -0.87 -0.80 -0.57 0.00 0.00 179.45 177.72 3i56 s ASN 14 N -6.64 2.41 0.00 0.86 0.01 -1.20 -5.00 114.94 105.38 3i56 s ASN 14 Ca -0.00 -2.93 0.12 0.00 -0.71 0.00 0.00 52.86 49.34 3i56 s ASN 14 Cb 0.12 -0.64 0.72 0.00 0.41 0.00 0.00 41.25 41.86 3i56 s ASN 14 CO 0.73 -0.20 1.16 -0.81 -1.51 0.00 0.00 177.10 176.47 3i56 n PRO 15 N 3.07 0.52 -0.08 -0.60 -0.04 -1.26 -2.38 135.00 134.23 3i56 n PRO 15 Ca 0.22 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.73 3i56 n PRO 15 Cb 0.42 -1.37 0.09 0.00 -0.04 0.00 0.00 33.50 32.61 3i56 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i56 n GLY 16 N 0.03 1.33 3.61 0.55 0.00 -1.26 -4.11 105.19 105.34 3i56 n GLY 16 Ca 0.09 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 3i56 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i56 s ASP 17 N -0.90 4.20 0.73 1.61 1.01 -1.00 -4.73 116.67 117.58 3i56 s ASP 17 Ca 0.16 -0.90 0.00 0.00 0.71 0.00 0.00 52.55 52.51 3i56 s ASP 17 Cb 0.09 -0.58 0.00 0.00 1.01 0.00 0.00 42.92 43.44 3i56 s ASP 17 CO 0.12 -0.14 0.00 0.61 0.21 0.00 0.00 175.17 175.98 3i56 n GLY 18 N -0.90 1.65 0.23 0.21 0.00 -1.26 -2.56 105.19 102.57 3i56 n GLY 18 Ca -0.05 -0.49 0.09 0.00 0.00 0.00 0.00 46.02 45.58 3i56 n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3i56 h GLN 19 N 0.00 0.00 0.00 1.61 4.20 -1.98 -2.84 115.11 116.10 3i56 h GLN 19 Ca 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 3i56 h GLN 19 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3i56 h GLN 19 CO 0.00 0.22 -0.57 1.25 -0.67 0.00 0.00 178.83 179.06 3i56 h LEU 20 N 0.00 0.00 -0.69 1.46 5.85 -1.91 -1.68 115.31 118.34 3i56 h LEU 20 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3i56 h LEU 20 Cb 0.54 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 3i56 h LEU 20 CO 0.03 0.57 0.32 0.00 -0.34 0.00 0.00 178.44 179.01 3i56 h ALA 21 N 1.43 0.89 -0.09 1.25 0.00 -1.23 0.11 119.26 121.62 3i56 h ALA 21 Ca -0.01 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 3i56 h ALA 21 Cb 1.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3i56 h ALA 21 CO 0.07 0.48 -0.68 1.49 0.00 0.00 0.00 179.25 180.62 3i56 h GLU 22 N 0.97 0.40 -0.33 0.00 4.81 -1.61 -2.69 114.58 116.13 3i56 h GLU 22 Ca 0.24 -0.30 -0.17 0.00 -0.13 0.00 0.00 59.36 59.00 3i56 h GLU 22 Cb 0.15 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 3i56 h GLU 22 CO -0.03 0.93 -0.44 -0.07 -0.73 0.00 0.00 179.01 178.67 3i56 h LEU 23 N 0.28 0.96 -0.39 1.64 3.38 -0.73 -3.02 115.31 117.43 3i56 h LEU 23 Ca -0.02 -0.50 -0.16 0.00 0.09 0.00 0.00 57.88 57.29 3i56 h LEU 23 Cb 1.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3i56 h LEU 23 CO 0.12 1.26 -0.41 1.56 0.09 0.00 0.00 178.44 181.06 3i56 h GLN 24 N 0.68 0.92 0.00 1.13 1.08 -0.79 -0.83 115.11 117.30 3i56 h GLN 24 Ca 0.04 -0.50 -0.00 0.00 -1.45 0.00 0.00 58.65 56.74 3i56 h GLN 24 Cb 1.04 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.49 3i56 h GLN 24 CO 0.10 1.15 -0.01 2.35 -0.95 0.00 0.00 178.83 181.47 3i56 h TRP 25 N 0.74 0.00 0.05 2.96 7.01 -1.50 -1.05 115.95 124.16 3i56 h TRP 25 Ca 0.05 0.00 -0.20 0.00 2.11 0.00 0.00 58.89 60.85 3i56 h TRP 25 Cb 1.01 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.06 3i56 h TRP 25 CO 0.06 0.01 -1.06 1.96 -2.79 0.00 0.00 178.44 176.62 3i56 h GLN 26 N 0.00 0.11 -0.22 2.65 4.20 -1.39 -3.37 115.11 117.09 3i56 h GLN 26 Ca -0.00 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 3i56 h GLN 26 Cb 0.02 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3i56 h GLN 26 CO 0.00 1.09 -0.01 0.00 -0.67 0.00 0.00 178.83 179.24 3i56 h ARG 27 N -0.69 0.39 -0.16 1.46 3.08 -0.93 -3.11 114.38 114.43 3i56 h ARG 27 Ca -0.26 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 59.71 3i56 h ARG 27 Cb 1.44 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 3i56 h ARG 27 CO -0.05 0.59 0.19 1.96 -1.07 0.00 0.00 179.97 181.59 3i56 h GLN 28 N 0.15 0.00 -0.14 0.04 4.20 -1.41 0.29 115.11 118.24 3i56 h GLN 28 Ca 0.06 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.65 3i56 h GLN 28 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3i56 h GLN 28 CO 0.01 0.00 -0.44 1.96 -0.67 0.00 0.00 178.83 179.69 3i56 h GLN 29 N 0.00 0.35 0.03 1.46 4.20 -1.70 -0.03 115.11 119.42 3i56 h GLN 29 Ca 0.08 -0.18 -0.28 0.00 0.06 0.00 0.00 58.65 58.33 3i56 h GLN 29 Cb 0.46 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 3i56 h GLN 29 CO -0.00 0.73 -1.50 0.93 -0.67 0.00 0.00 178.83 178.31 3i56 h GLU 30 N 0.28 0.06 -0.36 1.46 5.08 -1.12 -3.34 114.58 116.65 3i56 h GLU 30 Ca 0.02 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 3i56 h GLU 30 Cb 0.90 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3i56 h GLU 30 CO 0.07 0.79 -0.21 -1.49 -1.00 0.00 0.00 179.01 177.17 3i56 h TRP 31 N 0.02 0.78 0.00 4.33 6.55 -0.84 -2.43 115.95 124.36 3i56 h TRP 31 Ca -0.21 -0.17 -0.01 0.00 0.95 0.00 0.00 58.89 59.45 3i56 h TRP 31 Cb 1.95 -0.19 -0.00 0.00 -0.86 0.00 0.00 29.16 30.06 3i56 h TRP 31 CO 0.02 0.84 -0.06 0.00 -1.05 0.00 0.00 178.44 178.19 3i56 h ARG 32 N 0.61 0.00 -0.01 0.49 3.08 -1.12 -1.67 114.38 115.75 3i56 h ARG 32 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3i56 h ARG 32 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3i56 h ARG 32 CO 0.05 0.06 -0.46 0.09 -1.07 0.00 0.00 179.97 178.64 3i56 n ASN 33 N -3.33 1.75 -4.52 7.04 3.02 -0.95 -4.94 115.26 113.32 3i56 n ASN 33 Ca -0.01 -1.34 -0.26 0.00 -0.03 0.00 0.00 54.58 52.93 3i56 n ASN 33 Cb 0.23 0.43 0.13 0.00 -0.61 0.00 0.00 39.78 39.95 3i56 n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3i56 s GLU 34 N -2.52 1.39 0.00 3.52 2.02 -0.63 -5.10 118.70 117.38 3i56 s GLU 34 Ca 0.19 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.49 3i56 s GLU 34 Cb 0.18 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 32.29 3i56 s GLU 34 CO 0.58 -1.76 0.00 0.41 0.02 0.00 0.00 175.26 174.50 3i56 n GLY 35 N -3.20 -1.34 0.07 -1.39 0.00 -1.26 -5.01 105.19 93.06 3i56 n GLY 35 Ca 0.14 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 3i56 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i56 h ALA 36 N -2.00 -0.00 -3.52 4.61 0.00 -1.91 -3.43 119.26 113.01 3i56 h ALA 36 Ca 0.00 -0.44 -0.65 0.00 0.00 0.00 0.00 54.91 53.82 3i56 h ALA 36 Cb 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.43 3i56 h ALA 36 CO 0.00 -0.05 -0.82 0.08 0.00 0.00 0.00 179.25 178.46 3i56 s VAL 37 N -2.60 1.94 -0.16 0.00 1.01 -1.26 -1.58 120.40 117.76 3i56 s VAL 37 Ca -0.18 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 60.56 3i56 s VAL 37 Cb -0.02 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.41 3i56 s VAL 37 CO 0.67 0.17 -0.17 -1.61 0.00 0.00 0.00 175.10 174.16 3i56 s GLU 38 N 1.26 2.62 0.05 2.72 0.41 0.13 -4.96 118.70 120.92 3i56 s GLU 38 Ca -0.03 -0.68 -0.31 0.00 -0.41 0.00 0.00 54.97 53.54 3i56 s GLU 38 Cb -0.17 -2.32 -0.06 0.00 -1.78 0.00 0.00 34.13 29.80 3i56 s GLU 38 CO -0.08 -0.22 1.27 0.50 -0.49 0.00 0.00 175.26 176.24 3i56 s ARG 39 N 1.39 4.37 -0.05 1.61 3.52 -1.26 -0.51 118.95 128.03 3i56 s ARG 39 Ca 0.05 1.85 0.04 0.00 -0.13 0.00 0.00 55.73 57.55 3i56 s ARG 39 Cb -0.13 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.84 3i56 s ARG 39 CO -0.12 -0.38 -0.17 0.96 -0.81 0.00 0.00 175.30 174.79 3i56 s ILE 40 N 1.47 2.85 0.17 4.11 -4.36 -1.12 -4.93 121.20 119.39 3i56 s ILE 40 Ca 0.60 -0.80 -0.09 0.00 -0.26 0.00 0.00 60.65 60.10 3i56 s ILE 40 Cb -0.31 -2.10 0.01 0.00 1.25 0.00 0.00 42.46 41.31 3i56 s ILE 40 CO 0.28 0.59 1.55 -0.08 0.24 0.00 0.00 174.94 177.52 3i56 h GLU 41 N 5.43 0.98 -5.11 0.37 4.81 -1.95 -3.39 114.58 115.71 3i56 h GLU 41 Ca -0.45 -0.42 -0.48 0.00 -0.13 0.00 0.00 59.36 57.88 3i56 h GLU 41 Cb 1.15 -0.03 -0.30 0.00 0.63 0.00 0.00 28.75 30.20 3i56 h GLU 41 CO 0.50 1.09 -0.81 1.03 -0.73 0.00 0.00 179.01 180.09 3i56 s ARG 42 N -4.65 1.19 0.33 1.92 1.81 -1.26 -4.94 118.95 113.36 3i56 s ARG 42 Ca -0.11 -0.47 -0.29 0.00 -1.72 0.00 0.00 55.73 53.14 3i56 s ARG 42 Cb 0.12 -1.12 -0.10 0.00 -0.45 0.00 0.00 34.95 33.40 3i56 s ARG 42 CO 0.87 0.25 1.38 -2.14 -0.68 0.00 0.00 175.30 174.97 3i56 s PRO 43 N -0.14 4.27 0.27 3.54 0.02 -1.26 -4.95 135.00 136.74 3i56 s PRO 43 Ca 0.02 2.33 0.05 0.00 0.02 0.00 0.00 61.00 63.42 3i56 s PRO 43 Cb -0.07 -3.04 0.37 0.00 0.02 0.00 0.00 34.50 31.78 3i56 s PRO 43 CO 0.00 -0.32 1.65 1.15 -0.33 0.00 0.00 177.00 179.16 3i56 h THR 44 N 3.08 1.32 -3.22 0.99 2.02 -2.00 -3.34 112.91 111.76 3i56 h THR 44 Ca -0.49 -1.62 -0.65 0.00 0.77 0.00 0.00 66.41 64.43 3i56 h THR 44 Cb 1.23 1.72 -0.40 0.00 -1.74 0.00 0.00 68.15 68.96 3i56 h THR 44 CO 0.67 0.49 -0.48 -0.13 0.37 0.00 0.00 175.52 176.44 3i56 s ARG 45 N -4.09 2.54 0.31 6.66 0.52 -1.26 -4.96 118.95 118.67 3i56 s ARG 45 Ca -0.05 -3.14 0.04 0.00 -0.52 0.00 0.00 55.73 52.06 3i56 s ARG 45 Cb 0.13 -3.53 0.64 0.00 0.52 0.00 0.00 34.95 32.71 3i56 s ARG 45 CO 0.79 -1.24 1.86 1.25 0.02 0.00 0.00 175.30 177.98 3i56 h LEU 46 N 5.84 0.83 -0.13 2.53 6.46 -1.98 -1.37 115.31 127.49 3i56 h LEU 46 Ca 0.09 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 3i56 h LEU 46 Cb 0.81 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.60 3i56 h LEU 46 CO 0.74 0.45 0.03 -2.24 -0.62 0.00 0.00 178.44 176.80 3i56 h ASP 47 N 0.90 0.19 -0.42 1.25 2.03 -1.93 -2.04 116.42 116.40 3i56 h ASP 47 Ca 0.46 -0.22 -0.06 0.00 -0.73 0.00 0.00 57.03 56.47 3i56 h ASP 47 Cb 0.51 -0.05 -0.02 0.00 -0.83 0.00 0.00 39.33 38.95 3i56 h ASP 47 CO -0.22 0.37 0.01 0.50 -1.03 0.00 0.00 179.24 178.86 3i56 h LYS 48 N 0.01 0.74 0.16 4.15 1.63 -1.87 -0.77 116.57 120.61 3i56 h LYS 48 Ca 0.04 -0.23 -0.00 0.00 -0.85 0.00 0.00 60.65 59.61 3i56 h LYS 48 Cb 0.25 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 3i56 h LYS 48 CO 0.00 0.81 -0.12 0.00 -3.45 0.00 0.00 179.45 176.69 3i56 h ALA 49 N 0.90 -0.27 -0.34 5.00 0.00 -1.25 0.27 119.26 123.57 3i56 h ALA 49 Ca 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3i56 h ALA 49 Cb 0.47 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3i56 h ALA 49 CO 0.02 -0.67 0.00 0.00 0.00 0.00 0.00 179.25 178.61 3i56 h ARG 50 N -0.29 0.53 -0.15 0.00 3.08 -1.30 -0.10 114.38 116.15 3i56 h ARG 50 Ca -0.01 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 59.79 3i56 h ARG 50 Cb 0.26 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3i56 h ARG 50 CO -0.01 0.55 -0.52 1.03 -1.07 0.00 0.00 179.97 179.95 3i56 h SER 51 N 0.51 0.45 1.70 7.04 0.87 -0.66 -2.98 113.55 120.49 3i56 h SER 51 Ca 0.11 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 3i56 h SER 51 Cb 0.32 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3i56 h SER 51 CO 0.01 0.89 0.00 1.56 -0.53 0.00 0.00 176.83 178.76 3i56 h GLN 52 N 0.32 0.00 0.00 2.24 4.20 0.26 -3.47 115.11 118.66 3i56 h GLN 52 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3i56 h GLN 52 Cb 1.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.80 3i56 h GLN 52 CO 0.09 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.66 3i56 n GLY 53 N 0.92 -0.41 3.79 3.46 0.00 -0.71 -4.83 105.19 107.41 3i56 n GLY 53 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3i56 n GLY 53 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i56 s TYR 54 N -0.59 2.94 -0.01 1.61 5.04 -0.13 -4.97 117.35 121.24 3i56 s TYR 54 Ca 0.00 1.57 -0.04 0.00 -2.44 0.00 0.00 57.07 56.16 3i56 s TYR 54 Cb 0.00 -3.17 -0.00 0.00 0.35 0.00 0.00 41.96 39.14 3i56 s TYR 54 CO 0.00 -1.07 0.09 0.15 -1.34 0.00 0.00 175.55 173.38 3i56 s LYS 55 N -3.06 0.33 -1.25 4.97 1.02 -1.26 -4.35 119.74 116.13 3i56 s LYS 55 Ca 0.67 -0.28 -0.17 0.00 0.02 0.00 0.00 55.97 56.21 3i56 s LYS 55 Cb -0.21 0.13 0.10 0.00 -0.52 0.00 0.00 37.83 37.34 3i56 s LYS 55 CO 0.25 -0.07 1.62 0.00 -0.92 0.00 0.00 175.35 176.23 3i56 s ALA 56 N -0.95 3.53 0.21 5.17 0.00 -1.26 -4.82 121.76 123.64 3i56 s ALA 56 Ca -0.10 -3.04 0.01 0.00 0.00 0.00 0.00 51.96 48.82 3i56 s ALA 56 Cb -0.06 -4.46 -0.05 0.00 0.00 0.00 0.00 23.12 18.55 3i56 s ALA 56 CO 0.00 -3.13 0.08 0.21 0.00 0.00 0.00 175.76 172.93 3i56 s LYS 57 N 3.35 1.25 -0.12 0.00 2.20 -1.26 -5.12 119.74 120.03 3i56 s LYS 57 Ca 0.50 -1.65 -0.29 0.00 -0.36 0.00 0.00 55.97 54.16 3i56 s LYS 57 Cb 0.01 -0.08 -0.01 0.00 -1.51 0.00 0.00 37.83 36.24 3i56 s LYS 57 CO 0.05 -0.28 1.11 -0.65 -0.36 0.00 0.00 175.35 175.21 3i56 s GLN 58 N -4.04 4.34 0.00 4.03 -0.21 -1.26 -3.23 119.66 119.29 3i56 s GLN 58 Ca 0.34 1.51 0.00 0.00 0.02 0.00 0.00 55.36 57.23 3i56 s GLN 58 Cb 0.07 -3.60 0.00 0.00 1.00 0.00 0.00 33.01 30.48 3i56 s GLN 58 CO 0.10 -0.48 0.00 0.41 -2.12 0.00 0.00 175.29 173.20 3i56 n GLY 59 N 3.30 0.97 3.11 3.09 0.00 -1.26 -4.56 105.19 109.83 3i56 n GLY 59 Ca 0.11 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3i56 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i56 s VAL 60 N -2.00 3.26 0.01 1.61 1.01 -1.20 -0.76 120.40 122.33 3i56 s VAL 60 Ca 0.00 -2.14 -0.01 0.00 0.00 0.00 0.00 61.98 59.83 3i56 s VAL 60 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 3i56 s VAL 60 CO 0.00 -0.70 0.13 -0.63 0.00 0.00 0.00 175.10 173.90 3i56 s ILE 61 N 1.04 5.05 0.10 2.22 1.09 0.03 -4.82 121.20 125.91 3i56 s ILE 61 Ca 0.09 -0.34 0.08 0.00 -1.10 0.00 0.00 60.65 59.38 3i56 s ILE 61 Cb -0.22 -3.35 -0.03 0.00 -1.06 0.00 0.00 42.46 37.79 3i56 s ILE 61 CO -0.04 0.30 -0.20 -0.69 -0.10 0.00 0.00 174.94 174.21 3i56 s VAL 62 N -1.29 1.63 -0.21 2.92 1.01 -1.26 0.23 120.40 123.42 3i56 s VAL 62 Ca 0.26 -1.52 -0.19 0.00 0.00 0.00 0.00 61.98 60.53 3i56 s VAL 62 Cb -0.12 -1.50 0.06 0.00 0.00 0.00 0.00 36.38 34.82 3i56 s VAL 62 CO 0.18 -0.10 0.56 0.00 0.00 0.00 0.00 175.10 175.75 3i56 s ALA 63 N -1.21 -1.40 -0.10 5.51 0.00 -0.78 -2.78 121.76 120.99 3i56 s ALA 63 Ca 0.05 1.62 -0.14 0.00 0.00 0.00 0.00 51.96 53.49 3i56 s ALA 63 Cb -0.10 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 3i56 s ALA 63 CO 0.04 -0.27 0.34 0.50 0.00 0.00 0.00 175.76 176.37 3i56 s ARG 64 N 0.38 4.10 -0.06 0.00 3.52 0.34 -0.80 118.95 126.42 3i56 s ARG 64 Ca -0.01 0.23 0.03 0.00 -0.13 0.00 0.00 55.73 55.86 3i56 s ARG 64 Cb -0.04 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 30.01 3i56 s ARG 64 CO -0.00 0.41 -0.16 0.08 -0.81 0.00 0.00 175.30 174.81 3i56 s VAL 65 N -0.09 1.39 -0.19 7.11 1.01 0.38 -0.70 120.40 129.31 3i56 s VAL 65 Ca 0.20 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 3i56 s VAL 65 Cb -0.14 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 3i56 s VAL 65 CO 0.08 0.41 0.03 -0.94 0.00 0.00 0.00 175.10 174.67 3i56 s SER 66 N 0.39 5.21 0.04 3.32 1.04 -0.61 -1.72 113.70 121.38 3i56 s SER 66 Ca -0.12 -0.06 0.07 0.00 0.48 0.00 0.00 55.95 56.32 3i56 s SER 66 Cb -0.15 -1.89 -0.02 0.00 0.10 0.00 0.00 66.02 64.06 3i56 s SER 66 CO 0.04 0.12 -0.19 -0.69 0.98 0.00 0.00 173.24 173.51 3i56 s VAL 67 N 0.67 1.50 0.43 5.02 1.01 -0.60 -4.89 120.40 123.54 3i56 s VAL 67 Ca 0.01 -1.15 -0.25 0.00 0.00 0.00 0.00 61.98 60.59 3i56 s VAL 67 Cb -0.14 -1.32 -0.08 0.00 0.00 0.00 0.00 36.38 34.84 3i56 s VAL 67 CO 0.02 0.14 1.31 0.00 0.00 0.00 0.00 175.10 176.57 3i56 s ARG 68 N -1.19 3.82 0.57 2.72 3.03 -1.26 -0.60 118.95 126.04 3i56 s ARG 68 Ca 0.06 2.16 -0.12 0.00 2.03 0.00 0.00 55.73 59.86 3i56 s ARG 68 Cb -0.09 -2.65 -0.05 0.00 -1.03 0.00 0.00 34.95 31.13 3i56 s ARG 68 CO 0.02 -0.62 0.99 0.15 -1.13 0.00 0.00 175.30 174.70 3i56 s LYS 69 N -2.39 3.70 0.03 3.89 1.02 -0.39 -4.77 119.74 120.83 3i56 s LYS 69 Ca 0.60 0.75 0.00 0.00 0.02 0.00 0.00 55.97 57.34 3i56 s LYS 69 Cb -0.38 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 3i56 s LYS 69 CO 0.48 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.89 3i56 n GLY 70 N -2.33 -2.96 0.00 -3.33 0.00 -1.26 -4.96 105.19 90.35 3i56 n GLY 70 Ca 0.06 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.02 3i56 n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i56 n SER 71 N 0.00 -1.15 -4.77 1.61 3.41 -1.26 -4.97 113.62 106.50 3i56 n SER 71 Ca 0.00 -0.35 -0.39 0.00 -0.26 0.00 0.00 58.87 57.87 3i56 n SER 71 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 3i56 n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i56 s ALA 72 N -2.76 3.27 -1.19 7.33 0.00 -0.99 -4.89 121.76 122.53 3i56 s ALA 72 Ca 0.00 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 3i56 s ALA 72 Cb 0.00 -3.39 0.20 0.00 0.00 0.00 0.00 23.12 19.93 3i56 s ALA 72 CO 0.00 -0.48 1.36 0.54 0.00 0.00 0.00 175.76 177.18 3i56 n ARG 73 N 0.43 3.43 -3.93 0.00 3.00 -1.26 -4.96 116.66 113.36 3i56 n ARG 73 Ca 0.02 -4.02 -0.32 0.00 -0.01 0.00 0.00 57.85 53.53 3i56 n ARG 73 Cb 0.45 -2.90 -0.05 0.00 0.00 0.00 0.00 32.46 29.96 3i56 n ARG 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3i56 s LYS 74 N 0.75 3.38 0.26 5.56 2.20 -1.26 -5.12 119.74 125.51 3i56 s LYS 74 Ca 0.40 -0.41 -0.02 0.00 -0.36 0.00 0.00 55.97 55.58 3i56 s LYS 74 Cb -0.05 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 3i56 s LYS 74 CO -0.02 0.64 0.47 1.03 -0.36 0.00 0.00 175.35 177.11 3i56 s ARG 75 N -2.22 3.54 0.53 4.03 0.52 -1.26 -4.97 118.95 119.13 3i56 s ARG 75 Ca 0.31 -0.25 -0.09 0.00 -0.52 0.00 0.00 55.73 55.18 3i56 s ARG 75 Cb -0.13 -2.74 -0.04 0.00 0.52 0.00 0.00 34.95 32.56 3i56 s ARG 75 CO 0.23 0.29 0.90 0.50 0.02 0.00 0.00 175.30 177.24 3i56 s ARG 76 N -3.62 3.61 0.23 3.54 3.52 -1.26 -4.92 118.95 120.04 3i56 s ARG 76 Ca 0.40 0.50 -0.31 0.00 -0.13 0.00 0.00 55.73 56.19 3i56 s ARG 76 Cb -0.11 -2.24 -0.11 0.00 -1.56 0.00 0.00 34.95 30.94 3i56 s ARG 76 CO 0.31 -0.34 1.55 -3.38 -0.81 0.00 0.00 175.30 172.62 3i56 s HIS 77 N -2.88 2.96 -2.42 5.12 -3.43 -1.26 -4.92 115.29 108.47 3i56 s HIS 77 Ca 0.52 0.77 0.23 0.00 -0.80 0.00 0.00 55.06 55.78 3i56 s HIS 77 Cb -0.11 -3.94 0.12 0.00 -1.43 0.00 0.00 32.58 27.22 3i56 s HIS 77 CO 0.47 -3.29 1.18 1.63 -2.00 0.00 0.00 174.74 172.73 3i56 n LYS 78 N 3.03 1.65 -4.32 -0.38 5.02 -1.26 -4.96 118.16 116.93 3i56 n LYS 78 Ca 0.10 -1.35 -0.23 0.00 -2.02 0.00 0.00 58.31 54.81 3i56 n LYS 78 Cb 0.38 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.85 3i56 n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i56 n ALA 79 N 0.51 0.60 -2.03 7.82 0.00 -1.26 -5.13 120.51 121.02 3i56 n ALA 79 Ca 0.11 -2.01 -0.42 0.00 0.00 0.00 0.00 53.44 51.12 3i56 n ALA 79 Cb 0.52 1.42 -0.03 0.00 0.00 0.00 0.00 19.45 21.36 3i56 n ALA 79 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i56 s GLY 80 N -3.42 1.87 -0.03 0.00 0.00 -1.26 -5.03 107.32 99.44 3i56 s GLY 80 Ca 0.25 1.24 -0.04 0.00 0.00 0.00 0.00 44.72 46.17 3i56 s GLY 80 CO 0.18 2.44 0.11 0.50 0.00 0.00 0.00 173.10 176.32 3i56 s ARG 81 N 0.88 0.17 0.52 2.90 3.00 -1.26 -5.15 118.95 120.02 3i56 s ARG 81 Ca 0.66 0.06 -0.19 0.00 0.00 0.00 0.00 55.73 56.26 3i56 s ARG 81 Cb -0.40 0.08 -0.07 0.00 0.00 0.00 0.00 34.95 34.56 3i56 s ARG 81 CO 0.32 -0.03 1.06 -0.98 0.00 0.00 0.00 175.30 175.68 3i56 s ARG 82 N -0.15 3.58 0.25 3.54 1.70 -1.26 -4.79 118.95 121.82 3i56 s ARG 82 Ca -0.02 1.38 0.07 0.00 -0.47 0.00 0.00 55.73 56.70 3i56 s ARG 82 Cb -0.02 -2.06 0.76 0.00 -0.57 0.00 0.00 34.95 33.06 3i56 s ARG 82 CO 0.00 -0.62 1.19 -1.13 -1.08 0.00 0.00 175.30 173.66 3i56 n SER 83 N -1.29 0.06 -0.16 -2.89 3.41 -1.26 -0.27 113.62 111.22 3i56 n SER 83 Ca 0.10 1.27 0.01 0.00 -0.26 0.00 0.00 58.87 59.99 3i56 n SER 83 Cb 0.52 -0.53 0.28 0.00 -0.26 0.00 0.00 64.21 64.23 3i56 n SER 83 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3i56 h LYS 84 N 0.00 0.88 -0.63 4.33 3.11 -2.04 -2.25 116.57 119.96 3i56 h LYS 84 Ca 0.53 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 58.31 3i56 h LYS 84 Cb 1.26 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 32.29 3i56 h LYS 84 CO -0.66 0.60 0.00 0.54 -2.81 0.00 0.00 179.45 177.12 3i56 n ARG 85 N -4.42 4.19 -0.17 1.90 5.12 0.63 -4.32 116.66 119.59 3i56 n ARG 85 Ca 0.07 -2.77 0.11 0.00 -1.93 0.00 0.00 57.85 53.33 3i56 n ARG 85 Cb 0.05 -2.08 0.26 0.00 -1.16 0.00 0.00 32.46 29.53 3i56 n ARG 85 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3i56 n GLN 86 N 0.72 2.29 -1.91 5.56 6.02 -0.85 -4.85 117.38 124.36 3i56 n GLN 86 Ca 0.25 -1.95 -0.32 0.00 -0.01 0.00 0.00 57.00 54.97 3i56 n GLN 86 Cb 1.01 -1.47 0.02 0.00 1.02 0.00 0.00 30.24 30.82 3i56 n GLN 86 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3i56 s GLY 87 N -1.45 1.86 0.28 1.08 0.00 -1.26 -4.87 107.32 102.96 3i56 s GLY 87 Ca 0.37 0.15 0.00 0.00 0.00 0.00 0.00 44.72 45.24 3i56 s GLY 87 CO 0.30 0.45 0.00 -0.62 0.00 0.00 0.00 173.10 173.22 3i56 n VAL 88 N -2.48 0.11 -0.22 1.40 0.31 -1.26 -4.89 118.33 111.31 3i56 n VAL 88 Ca 0.07 0.04 -0.04 0.00 -0.01 0.00 0.00 64.34 64.40 3i56 n VAL 88 Cb 0.54 -0.60 0.06 0.00 -0.91 0.00 0.00 33.84 32.93 3i56 n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3i56 h THR 89 N 0.00 1.08 -0.01 2.52 2.02 -1.93 -3.23 112.91 113.35 3i56 h THR 89 Ca 0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3i56 h THR 89 Cb 0.00 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 3i56 h THR 89 CO 0.00 0.14 -0.12 0.54 0.37 0.00 0.00 175.52 176.45 3i56 n ARG 90 N -4.71 1.41 -2.58 6.66 1.74 -1.26 -4.90 116.66 113.01 3i56 n ARG 90 Ca 0.06 -0.89 -0.42 0.00 -0.77 0.00 0.00 57.85 55.83 3i56 n ARG 90 Cb 0.08 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 3i56 n ARG 90 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3i56 s ILE 91 N -2.21 4.43 0.22 0.55 1.01 -1.22 -5.01 121.20 118.97 3i56 s ILE 91 Ca 0.31 1.78 0.12 0.00 0.00 0.00 0.00 60.65 62.86 3i56 s ILE 91 Cb 0.20 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 3i56 s ILE 91 CO 0.41 0.16 -0.22 0.42 0.00 0.00 0.00 174.94 175.71 3i56 s THR 92 N 0.87 2.38 0.53 2.92 -4.23 -1.26 -2.35 115.64 114.50 3i56 s THR 92 Ca 0.54 -2.16 -0.16 0.00 -1.18 0.00 0.00 61.69 58.73 3i56 s THR 92 Cb -0.25 -2.18 -0.07 0.00 1.34 0.00 0.00 72.50 71.33 3i56 s THR 92 CO 0.29 -0.22 0.99 -0.13 -0.54 0.00 0.00 174.62 175.02 3i56 s ARG 93 N -2.97 3.87 0.00 3.99 1.81 -1.26 -4.85 118.95 119.55 3i56 s ARG 93 Ca 0.24 0.98 0.28 0.00 -1.72 0.00 0.00 55.73 55.51 3i56 s ARG 93 Cb -0.07 -2.12 1.12 0.00 -0.45 0.00 0.00 34.95 33.43 3i56 s ARG 93 CO 0.12 -0.34 1.80 0.54 -0.68 0.00 0.00 175.30 176.73 3i56 n ARG 94 N -1.65 0.72 -4.40 3.54 1.74 -1.26 -4.74 116.66 110.62 3i56 n ARG 94 Ca 0.07 -0.29 -0.34 0.00 -0.77 0.00 0.00 57.85 56.52 3i56 n ARG 94 Cb 0.54 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.36 3i56 n ARG 94 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3i56 s LYS 95 N -2.48 3.64 0.67 5.56 1.02 -1.26 -4.99 119.74 121.90 3i56 s LYS 95 Ca 0.28 -0.53 -0.14 0.00 0.02 0.00 0.00 55.97 55.60 3i56 s LYS 95 Cb 0.20 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 3i56 s LYS 95 CO 0.48 0.22 1.08 0.16 -0.92 0.00 0.00 175.35 176.37 3i56 s ASP 96 N 0.42 5.24 0.49 2.83 -4.77 -1.26 -4.88 116.67 114.74 3i56 s ASP 96 Ca -0.04 1.84 0.25 0.00 -3.30 0.00 0.00 52.55 51.30 3i56 s ASP 96 Cb -0.14 -2.53 1.32 0.00 -1.09 0.00 0.00 42.92 40.48 3i56 s ASP 96 CO 0.03 -1.54 1.89 0.40 0.70 0.00 0.00 175.17 176.65 3i56 h ILE 97 N -0.22 0.62 -0.75 2.11 2.04 -1.97 -0.61 117.51 118.73 3i56 h ILE 97 Ca -0.46 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 3i56 h ILE 97 Cb 1.23 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 3i56 h ILE 97 CO 0.55 0.03 0.29 -0.61 0.00 0.00 0.00 178.15 178.41 3i56 h GLN 98 N 0.16 1.12 0.00 2.37 4.15 -1.99 -0.83 115.11 120.09 3i56 h GLN 98 Ca 0.42 -0.21 -0.12 0.00 0.77 0.00 0.00 58.65 59.52 3i56 h GLN 98 Cb 1.42 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.91 3i56 h GLN 98 CO -0.07 0.92 -0.55 -0.09 -1.93 0.00 0.00 178.83 177.11 3i56 h ARG 99 N 1.08 0.00 -0.19 1.69 2.43 -1.48 -1.51 114.38 116.41 3i56 h ARG 99 Ca 0.25 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.26 3i56 h ARG 99 Cb 0.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3i56 h ARG 99 CO -0.02 0.55 -0.53 0.28 -1.51 0.00 0.00 179.97 178.75 3i56 h VAL 100 N 0.00 1.32 -0.17 0.20 2.07 -1.13 -2.64 116.25 115.90 3i56 h VAL 100 Ca -0.01 -1.77 -0.04 0.00 0.82 0.00 0.00 66.70 65.71 3i56 h VAL 100 Cb 1.02 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 3i56 h VAL 100 CO 0.07 0.55 -0.04 0.00 0.02 0.00 0.00 177.57 178.17 3i56 h ALA 101 N 1.00 0.24 -0.79 1.67 0.00 -0.73 -2.41 119.26 118.23 3i56 h ALA 101 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3i56 h ALA 101 Cb 1.06 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3i56 h ALA 101 CO 0.10 0.00 0.50 0.93 0.00 0.00 0.00 179.25 180.78 3i56 h GLU 102 N 0.05 1.06 -0.29 0.00 5.08 -1.25 -1.90 114.58 117.33 3i56 h GLU 102 Ca 0.04 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 3i56 h GLU 102 Cb 0.48 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3i56 h GLU 102 CO 0.02 0.72 -0.30 0.93 -1.00 0.00 0.00 179.01 179.38 3i56 h GLU 103 N 1.08 0.71 -0.52 2.33 5.08 -1.41 -0.95 114.58 120.90 3i56 h GLU 103 Ca 0.29 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3i56 h GLU 103 Cb -0.08 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3i56 h GLU 103 CO -0.06 1.00 0.23 0.00 -1.00 0.00 0.00 179.01 179.18 3i56 h ARG 104 N 0.46 0.74 -0.02 2.33 3.08 -1.10 -0.84 114.38 119.01 3i56 h ARG 104 Ca 0.04 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3i56 h ARG 104 Cb 0.87 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 3i56 h ARG 104 CO 0.07 0.59 -0.04 0.00 -1.07 0.00 0.00 179.97 179.52 3i56 h ALA 105 N 1.52 0.04 -0.06 0.04 0.00 -1.26 -2.62 119.26 116.92 3i56 h ALA 105 Ca 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3i56 h ALA 105 Cb 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i56 h ALA 105 CO -0.02 -0.16 -0.00 1.03 0.00 0.00 0.00 179.25 180.10 3i56 h SER 106 N -0.45 0.07 0.54 0.00 0.87 -0.69 -1.11 113.55 112.77 3i56 h SER 106 Ca 0.00 -0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.37 3i56 h SER 106 Cb 0.59 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 3i56 h SER 106 CO 0.01 0.09 -0.83 0.03 -0.53 0.00 0.00 176.83 175.60 3i56 h ARG 107 N 0.08 0.21 0.00 2.24 3.08 -1.15 -3.03 114.38 115.81 3i56 h ARG 107 Ca 0.02 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 3i56 h ARG 107 Cb 0.06 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3i56 h ARG 107 CO 0.00 0.93 -0.34 1.15 -1.07 0.00 0.00 179.97 180.64 3i56 h THR 108 N 0.12 0.84 -2.42 2.04 2.02 -0.84 -3.30 112.91 111.38 3i56 h THR 108 Ca -0.04 -1.38 -0.60 0.00 0.77 0.00 0.00 66.41 65.16 3i56 h THR 108 Cb 1.44 1.85 -0.42 0.00 -1.74 0.00 0.00 68.15 69.28 3i56 h THR 108 CO 0.13 0.33 -0.64 0.49 0.37 0.00 0.00 175.52 176.19 3i56 n PHE 109 N -3.55 3.04 0.19 3.16 3.01 -0.79 -4.97 117.46 117.55 3i56 n PHE 109 Ca -0.00 -4.12 0.09 0.00 1.01 0.00 0.00 57.45 54.43 3i56 n PHE 109 Cb 0.47 -0.53 0.49 0.00 -0.01 0.00 0.00 39.48 39.91 3i56 n PHE 109 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3i56 h PRO 110 N 4.53 0.00 0.00 -1.08 0.13 -1.63 -1.89 132.00 132.05 3i56 h PRO 110 Ca 0.18 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.09 3i56 h PRO 110 Cb 0.71 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.80 3i56 h PRO 110 CO 0.76 0.00 -1.89 0.27 -0.23 0.00 0.00 178.00 176.91 3i56 n ASN 111 N -2.23 0.40 -4.90 1.44 6.94 -1.26 -4.98 115.26 110.68 3i56 n ASN 111 Ca -0.01 0.18 -0.28 0.00 -0.02 0.00 0.00 54.58 54.45 3i56 n ASN 111 Cb 0.24 0.77 -0.01 0.00 -2.36 0.00 0.00 39.78 38.43 3i56 n ASN 111 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3i56 s LEU 112 N -5.47 3.68 -0.06 -4.53 1.43 -0.71 -4.52 118.68 108.49 3i56 s LEU 112 Ca -0.06 0.98 0.06 0.00 -1.03 0.00 0.00 54.13 54.07 3i56 s LEU 112 Cb 0.09 -3.92 -0.01 0.00 0.03 0.00 0.00 46.19 42.38 3i56 s LEU 112 CO 0.84 -0.53 -0.24 -0.13 0.23 0.00 0.00 176.35 176.52 3i56 s ARG 113 N -4.52 2.62 0.05 1.70 0.52 -0.21 -4.90 118.95 114.20 3i56 s ARG 113 Ca 0.48 -0.88 -0.31 0.00 -0.52 0.00 0.00 55.73 54.51 3i56 s ARG 113 Cb -0.10 -2.21 -0.07 0.00 0.52 0.00 0.00 34.95 33.09 3i56 s ARG 113 CO 0.42 0.38 1.44 0.08 0.02 0.00 0.00 175.30 177.63 3i56 s VAL 114 N -0.15 3.47 -0.20 3.52 1.01 -1.26 -0.70 120.40 126.09 3i56 s VAL 114 Ca -0.04 0.95 -0.16 0.00 0.00 0.00 0.00 61.98 62.73 3i56 s VAL 114 Cb -0.14 -3.61 -0.12 0.00 0.00 0.00 0.00 36.38 32.52 3i56 s VAL 114 CO 0.04 0.02 -0.08 -0.11 0.00 0.00 0.00 175.10 174.97 3i56 n LEU 115 N 4.96 1.88 -3.86 3.92 -0.00 0.62 -4.85 117.00 119.68 3i56 n LEU 115 Ca 0.13 0.45 -0.01 0.00 -0.00 0.00 0.00 56.01 56.59 3i56 n LEU 115 Cb 0.43 -0.88 0.01 0.00 -0.00 0.00 0.00 43.42 42.97 3i56 n LEU 115 CO 0.59 0.07 0.93 0.20 -0.00 0.00 0.00 177.39 179.18 3i56 s ASN 116 N -6.57 -0.02 0.17 1.96 0.01 -1.17 -4.70 114.94 104.61 3i56 s ASN 116 Ca -0.27 -0.42 -0.12 0.00 -0.71 0.00 0.00 52.86 51.34 3i56 s ASN 116 Cb 0.06 0.34 0.00 0.00 0.41 0.00 0.00 41.25 42.07 3i56 s ASN 116 CO 0.45 -0.66 0.37 -0.94 -1.51 0.00 0.00 177.10 174.81 3i56 s SER 117 N -3.41 -0.06 0.07 -1.22 1.04 -1.26 -0.33 113.70 108.53 3i56 s SER 117 Ca 0.22 -0.73 -0.14 0.00 0.48 0.00 0.00 55.95 55.77 3i56 s SER 117 Cb -0.01 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.62 3i56 s SER 117 CO 0.02 -0.95 0.32 -0.72 0.98 0.00 0.00 173.24 172.89 3i56 s TYR 118 N -3.93 -0.11 0.25 5.02 -0.85 -0.79 -4.99 117.35 111.95 3i56 s TYR 118 Ca 0.14 -0.11 -0.29 0.00 -0.52 0.00 0.00 57.07 56.30 3i56 s TYR 118 Cb 0.02 0.13 -0.09 0.00 0.38 0.00 0.00 41.96 42.39 3i56 s TYR 118 CO -0.01 -0.57 0.93 0.45 -1.52 0.00 0.00 175.55 174.83 3i56 s SER 119 N -2.37 7.56 -0.16 -0.18 0.15 -1.26 -1.03 113.70 116.41 3i56 s SER 119 Ca -0.01 1.90 0.15 0.00 0.70 0.00 0.00 55.95 58.68 3i56 s SER 119 Cb 0.01 -2.59 0.41 0.00 -1.71 0.00 0.00 66.02 62.14 3i56 s SER 119 CO -0.07 0.11 1.20 1.33 1.20 0.00 0.00 173.24 177.02 3i56 n VAL 120 N 1.28 1.68 0.00 4.45 0.24 -0.08 -4.87 118.33 121.03 3i56 n VAL 120 Ca -0.01 -2.67 0.00 0.00 -2.04 0.00 0.00 64.34 59.61 3i56 n VAL 120 Cb 0.48 0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3i56 n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i56 n GLY 121 N -0.76 0.58 3.48 7.63 0.00 -1.25 -4.85 105.19 110.02 3i56 n GLY 121 Ca 0.16 -2.14 -0.17 0.00 0.00 0.00 0.00 46.02 43.87 3i56 n GLY 121 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i56 s GLN 122 N -1.09 1.04 0.00 1.61 -2.07 -1.26 -1.33 119.66 116.55 3i56 s GLN 122 Ca 0.00 0.13 0.00 0.00 -1.82 0.00 0.00 55.36 53.67 3i56 s GLN 122 Cb 0.00 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.40 3i56 s GLN 122 CO 0.00 -0.34 0.00 -0.40 -1.32 0.00 0.00 175.29 173.23 3i56 n ASP 123 N 0.82 0.00 0.11 12.60 5.68 -0.95 -5.03 116.55 129.78 3i56 n ASP 123 Ca -0.19 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.09 3i56 n ASP 123 Cb 0.58 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.57 3i56 n ASP 123 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3i56 h GLY 124 N 0.00 0.00 0.00 6.12 0.00 -2.05 -3.39 103.07 103.75 3i56 h GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i56 h GLY 124 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.58 3i56 n ARG 125 N -3.36 0.06 -3.88 4.80 1.85 -1.26 -4.96 116.66 109.91 3i56 n ARG 125 Ca 0.01 -0.30 -0.09 0.00 -1.00 0.00 0.00 57.85 56.47 3i56 n ARG 125 Cb 0.78 -0.77 -0.07 0.00 -1.05 0.00 0.00 32.46 31.35 3i56 n ARG 125 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 3i56 s GLN 126 N -0.09 0.93 0.01 2.89 -2.07 -1.26 -1.26 119.66 118.81 3i56 s GLN 126 Ca 0.00 -1.01 0.07 0.00 -1.82 0.00 0.00 55.36 52.60 3i56 s GLN 126 Cb 0.00 0.36 -0.02 0.00 -1.09 0.00 0.00 33.01 32.26 3i56 s GLN 126 CO 0.00 -0.31 -0.21 0.15 -1.32 0.00 0.00 175.29 173.59 3i56 s LYS 127 N -3.89 1.59 -0.08 9.60 1.02 0.23 -2.24 119.74 125.98 3i56 s LYS 127 Ca 0.08 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.27 3i56 s LYS 127 Cb 0.04 -1.61 -0.02 0.00 -0.52 0.00 0.00 37.83 35.72 3i56 s LYS 127 CO -0.08 0.43 -0.18 -1.58 -0.92 0.00 0.00 175.35 173.02 3i56 s TRP 128 N -0.62 2.64 0.01 3.18 0.51 -0.44 -1.55 118.94 122.67 3i56 s TRP 128 Ca 0.08 -0.49 0.02 0.00 -2.12 0.00 0.00 56.10 53.59 3i56 s TRP 128 Cb -0.08 -1.68 -0.01 0.00 -0.81 0.00 0.00 33.47 30.89 3i56 s TRP 128 CO 0.00 -0.07 -0.06 -1.01 -0.51 0.00 0.00 176.95 175.31 3i56 s HIS 129 N -0.23 0.52 -0.21 -1.98 3.76 -0.70 -0.90 115.29 115.55 3i56 s HIS 129 Ca -0.00 -0.21 -0.05 0.00 -0.15 0.00 0.00 55.06 54.64 3i56 s HIS 129 Cb -0.13 -0.33 -0.02 0.00 1.11 0.00 0.00 32.58 33.21 3i56 s HIS 129 CO 0.03 -0.03 0.01 -1.21 -0.85 0.00 0.00 174.74 172.69 3i56 s GLU 130 N -0.56 3.60 -0.18 1.40 2.02 -0.20 -0.47 118.70 124.31 3i56 s GLU 130 Ca -0.02 -0.52 -0.08 0.00 0.02 0.00 0.00 54.97 54.37 3i56 s GLU 130 Cb -0.04 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 31.01 3i56 s GLU 130 CO -0.00 -0.06 0.07 0.08 0.02 0.00 0.00 175.26 175.37 3i56 s VAL 131 N 1.21 4.88 -0.34 2.63 1.01 0.02 -1.88 120.40 127.93 3i56 s VAL 131 Ca 0.03 -0.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.83 3i56 s VAL 131 Cb -0.15 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 3i56 s VAL 131 CO 0.01 0.46 0.52 -0.63 0.00 0.00 0.00 175.10 175.46 3i56 s ILE 132 N 0.34 5.02 0.10 2.22 1.01 0.55 -1.87 121.20 128.57 3i56 s ILE 132 Ca 0.04 0.44 0.07 0.00 0.00 0.00 0.00 60.65 61.20 3i56 s ILE 132 Cb -0.12 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 3i56 s ILE 132 CO -0.00 -0.17 -0.12 -0.76 0.00 0.00 0.00 174.94 173.89 3i56 s LEU 133 N 2.39 2.94 -0.00 2.97 1.02 0.14 -0.27 118.68 127.87 3i56 s LEU 133 Ca 0.19 -0.43 0.06 0.00 0.02 0.00 0.00 54.13 53.98 3i56 s LEU 133 Cb -0.15 -1.75 -0.02 0.00 0.02 0.00 0.00 46.19 44.29 3i56 s LEU 133 CO 0.13 0.18 -0.20 -0.63 0.02 0.00 0.00 176.35 175.85 3i56 s ILE 134 N -1.18 1.58 -0.54 -0.59 -1.09 0.12 -0.79 121.20 118.71 3i56 s ILE 134 Ca 0.20 -0.93 -0.23 0.00 -2.23 0.00 0.00 60.65 57.47 3i56 s ILE 134 Cb -0.11 -1.33 0.05 0.00 -1.58 0.00 0.00 42.46 39.49 3i56 s ILE 134 CO 0.12 0.39 0.87 -0.62 -1.23 0.00 0.00 174.94 174.47 3i56 s ASP 135 N -0.63 6.31 0.00 3.58 -1.08 0.06 -1.05 116.67 123.86 3i56 s ASP 135 Ca 0.08 -0.49 0.22 0.00 -0.52 0.00 0.00 52.55 51.83 3i56 s ASP 135 Cb -0.08 -2.40 1.30 0.00 -1.46 0.00 0.00 42.92 40.28 3i56 s ASP 135 CO -0.00 -1.15 1.68 -0.81 0.52 0.00 0.00 175.17 175.41 3i56 n PRO 136 N 7.17 0.71 0.00 4.34 -0.04 -1.26 -2.92 135.00 142.99 3i56 n PRO 136 Ca -0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 3i56 n PRO 136 Cb 0.47 -1.48 0.02 0.00 -0.04 0.00 0.00 33.50 32.47 3i56 n PRO 136 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i56 n ASN 137 N -0.98 1.51 -4.72 3.54 3.02 -1.26 -4.72 115.26 111.65 3i56 n ASN 137 Ca 0.16 -1.26 -0.39 0.00 -0.03 0.00 0.00 54.58 53.06 3i56 n ASN 137 Cb 0.07 0.23 -0.05 0.00 -0.61 0.00 0.00 39.78 39.43 3i56 n ASN 137 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3i56 s HIS 138 N -1.06 3.57 -0.66 3.10 2.46 -1.15 -4.94 115.29 116.61 3i56 s HIS 138 Ca 0.10 1.21 0.12 0.00 0.47 0.00 0.00 55.06 56.95 3i56 s HIS 138 Cb 0.08 -2.78 0.59 0.00 -0.13 0.00 0.00 32.58 30.34 3i56 s HIS 138 CO 0.18 0.10 1.36 -0.35 -2.47 0.00 0.00 174.74 173.56 3i56 n PRO 139 N 3.77 0.07 0.25 2.88 -0.04 -1.26 -1.04 135.00 139.63 3i56 n PRO 139 Ca -0.02 0.51 0.15 0.00 -0.04 0.00 0.00 63.50 64.10 3i56 n PRO 139 Cb 0.51 -1.70 0.53 0.00 -0.04 0.00 0.00 33.50 32.80 3i56 n PRO 139 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i56 h ALA 140 N 2.08 1.00 0.00 0.55 0.00 -1.92 -2.87 119.26 118.10 3i56 h ALA 140 Ca 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 3i56 h ALA 140 Cb 0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3i56 h ALA 140 CO 0.00 0.07 -2.19 -0.89 0.00 0.00 0.00 179.25 176.24 3i56 n ILE 141 N -3.15 1.19 0.32 0.00 -0.00 -0.20 -3.92 119.36 113.60 3i56 n ILE 141 Ca 0.01 -0.47 0.22 0.00 -0.00 0.00 0.00 62.75 62.50 3i56 n ILE 141 Cb 0.38 -1.20 1.14 0.00 -0.00 0.00 0.00 39.64 39.97 3i56 n ILE 141 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 3i56 h GLN 142 N 0.00 0.00 -0.00 0.38 4.20 -1.37 -1.63 115.11 116.69 3i56 h GLN 142 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 3i56 h GLN 142 Cb 1.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.52 3i56 h GLN 142 CO -0.07 0.00 -0.55 0.09 -0.67 0.00 0.00 178.83 177.64 3i56 n ASN 143 N -3.00 0.67 -4.65 1.46 3.02 -1.09 -4.85 115.26 106.82 3i56 n ASN 143 Ca -0.03 -0.84 -0.43 0.00 -0.03 0.00 0.00 54.58 53.26 3i56 n ASN 143 Cb 0.08 0.94 -0.02 0.00 -0.61 0.00 0.00 39.78 40.17 3i56 n ASN 143 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3i56 s ASP 144 N -2.10 6.97 0.34 6.41 -1.08 -0.62 -4.93 116.67 121.66 3i56 s ASP 144 Ca 0.05 1.34 0.04 0.00 -0.52 0.00 0.00 52.55 53.46 3i56 s ASP 144 Cb 0.09 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.63 3i56 s ASP 144 CO 0.49 -0.79 1.90 0.44 0.52 0.00 0.00 175.17 177.72 3i56 h ASP 145 N 8.00 0.53 -0.01 -0.34 3.32 -1.92 0.19 116.42 126.18 3i56 h ASP 145 Ca -0.22 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3i56 h ASP 145 Cb 1.07 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.48 3i56 h ASP 145 CO 1.00 0.55 0.00 0.47 -1.72 0.00 0.00 179.24 179.54 3i56 n ASP 146 N -4.31 0.72 0.00 6.45 8.00 -1.26 -4.27 116.55 121.88 3i56 n ASP 146 Ca 0.02 -1.27 0.00 0.00 0.71 0.00 0.00 54.79 54.25 3i56 n ASP 146 Cb 0.21 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 3i56 n ASP 146 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3i56 n LEU 147 N -0.42 0.00 0.00 0.64 4.77 -0.97 -4.91 117.00 116.11 3i56 n LEU 147 Ca 0.21 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3i56 n LEU 147 Cb 0.22 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 3i56 n LEU 147 CO 0.17 0.00 0.51 -1.54 -1.33 0.00 0.00 177.39 175.20 3i56 n SER 148 N -0.02 0.01 0.20 -1.43 3.41 0.64 -2.69 113.62 113.73 3i56 n SER 148 Ca 0.00 0.51 0.05 0.00 -0.26 0.00 0.00 58.87 59.16 3i56 n SER 148 Cb 0.00 -0.51 0.41 0.00 -0.26 0.00 0.00 64.21 63.86 3i56 n SER 148 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3i56 h TRP 149 N 0.00 0.00 0.00 7.33 5.08 -1.86 -2.79 115.95 123.71 3i56 h TRP 149 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3i56 h TRP 149 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3i56 h TRP 149 CO 0.00 0.33 0.00 1.51 -1.28 0.00 0.00 178.44 179.00 3i56 n ILE 150 N -3.94 0.16 0.74 0.12 3.06 -1.10 -3.12 119.36 115.29 3i56 n ILE 150 Ca -0.02 0.04 0.12 0.00 -2.50 0.00 0.00 62.75 60.40 3i56 n ILE 150 Cb 0.39 -0.65 0.24 0.00 0.54 0.00 0.00 39.64 40.16 3i56 n ILE 150 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3i56 s ALA 152 N -3.10 3.25 0.45 0.00 0.00 -1.18 -4.93 121.76 116.25 3i56 s ALA 152 Ca 0.08 1.07 0.22 0.00 0.00 0.00 0.00 51.96 53.33 3i56 s ALA 152 Cb 0.15 -3.42 1.20 0.00 0.00 0.00 0.00 23.12 21.06 3i56 s ALA 152 CO 0.70 -0.58 1.86 -0.44 0.00 0.00 0.00 175.76 177.29 3i56 h ASP 153 N 2.85 0.29 -0.01 0.00 3.32 -1.92 -0.92 116.42 120.03 3i56 h ASP 153 Ca -0.49 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3i56 h ASP 153 Cb 1.23 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3i56 h ASP 153 CO 0.63 0.11 0.00 -0.90 -1.72 0.00 0.00 179.24 177.36 3i56 n ASP 154 N -4.45 0.05 -0.74 6.45 5.68 -1.26 -2.70 116.55 119.58 3i56 n ASP 154 Ca 0.19 -1.64 0.08 0.00 -0.50 0.00 0.00 54.79 52.93 3i56 n ASP 154 Cb 0.78 -0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.88 3i56 n ASP 154 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i56 n GLN 155 N -0.65 1.87 -2.27 0.11 1.13 -0.35 -4.94 117.38 112.28 3i56 n GLN 155 Ca 0.09 -1.79 -0.42 0.00 -1.94 0.00 0.00 57.00 52.94 3i56 n GLN 155 Cb 0.05 -1.33 -0.03 0.00 0.11 0.00 0.00 30.24 29.04 3i56 n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i56 s ALA 156 N -1.17 3.55 -1.27 -1.58 0.00 -1.10 -3.06 121.76 117.12 3i56 s ALA 156 Ca 0.24 0.86 -0.03 0.00 0.00 0.00 0.00 51.96 53.04 3i56 s ALA 156 Cb 0.15 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3i56 s ALA 156 CO 0.21 -0.81 0.42 -0.25 0.00 0.00 0.00 175.76 175.33 3i56 n ASP 157 N 5.05 -5.18 -0.06 0.00 8.00 -1.26 -4.93 116.55 118.17 3i56 n ASP 157 Ca 0.12 -0.20 0.20 0.00 0.71 0.00 0.00 54.79 55.62 3i56 n ASP 157 Cb 0.44 -4.06 0.65 0.00 -0.02 0.00 0.00 41.12 38.13 3i56 n ASP 157 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3i56 h ARG 158 N -0.96 0.10 -0.05 -1.24 0.11 -1.90 -1.81 114.38 108.63 3i56 h ARG 158 Ca -0.42 -0.01 -0.19 0.00 0.10 0.00 0.00 59.98 59.46 3i56 h ARG 158 Cb 1.29 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.34 3i56 h ARG 158 CO 0.46 0.07 -0.78 -0.24 0.10 0.00 0.00 179.97 179.58 3i56 h VAL 159 N 0.10 1.40 0.00 0.08 3.04 -1.89 0.13 116.25 119.11 3i56 h VAL 159 Ca 0.30 -2.25 0.00 0.00 -1.01 0.00 0.00 66.70 63.74 3i56 h VAL 159 Cb 1.05 2.21 0.00 0.00 -2.01 0.00 0.00 31.29 32.53 3i56 h VAL 159 CO -0.03 0.67 0.00 0.49 -1.01 0.00 0.00 177.57 177.69 3i56 n PHE 160 N -3.80 0.50 0.41 3.17 3.01 -0.70 -2.46 117.46 117.60 3i56 n PHE 160 Ca -0.04 0.16 0.08 0.00 1.01 0.00 0.00 57.45 58.65 3i56 n PHE 160 Cb 0.74 -0.76 0.10 0.00 -0.01 0.00 0.00 39.48 39.54 3i56 n PHE 160 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3i56 n ARG 161 N -1.92 1.56 -2.20 -1.08 1.74 -1.11 -4.99 116.66 108.65 3i56 n ARG 161 Ca 0.05 -1.63 -0.10 0.00 -0.77 0.00 0.00 57.85 55.40 3i56 n ARG 161 Cb 0.33 -1.31 -0.00 0.00 -1.02 0.00 0.00 32.46 30.46 3i56 n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i56 n GLY 162 N 0.87 -0.04 0.70 -0.13 0.00 -0.98 -4.94 105.19 100.67 3i56 n GLY 162 Ca 0.11 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.75 3i56 n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i56 n LEU 163 N -1.44 2.06 -4.89 0.99 4.77 0.40 -3.37 117.00 115.52 3i56 n LEU 163 Ca -0.12 -0.96 -0.29 0.00 -0.03 0.00 0.00 56.01 54.61 3i56 n LEU 163 Cb 0.59 -0.20 0.06 0.00 -2.33 0.00 0.00 43.42 41.54 3i56 n LEU 163 CO 0.14 0.48 0.74 -0.89 -1.33 0.00 0.00 177.39 176.53 3i56 s THR 164 N -1.59 2.95 0.12 -5.08 2.01 -1.26 -4.85 115.64 107.94 3i56 s THR 164 Ca 0.30 0.25 -0.15 0.00 0.31 0.00 0.00 61.69 62.40 3i56 s THR 164 Cb 0.16 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 3i56 s THR 164 CO 0.23 -0.38 1.53 1.23 -0.69 0.00 0.00 174.62 176.54 3i56 h GLY 165 N -0.75 0.76 2.00 4.40 0.00 -1.90 0.15 103.07 107.73 3i56 h GLY 165 Ca -0.45 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.22 3i56 h GLY 165 CO 0.64 0.56 -0.20 0.00 0.00 0.00 0.00 176.54 177.54 3i56 h ALA 166 N 0.84 1.42 0.07 3.60 0.00 -1.95 -0.60 119.26 122.64 3i56 h ALA 166 Ca 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i56 h ALA 166 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3i56 h ALA 166 CO 0.03 0.25 -0.04 0.78 0.00 0.00 0.00 179.25 180.28 3i56 h GLY 167 N 0.88 -0.10 1.73 0.00 0.00 -1.65 -2.53 103.07 101.40 3i56 h GLY 167 Ca -0.00 0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 3i56 h GLY 167 CO 0.03 -0.04 -0.21 3.21 0.00 0.00 0.00 176.54 179.52 3i56 h ARG 168 N -0.66 0.32 -0.17 4.80 3.08 -0.30 -1.36 114.38 120.09 3i56 h ARG 168 Ca -0.01 -0.10 -0.18 0.00 0.07 0.00 0.00 59.98 59.76 3i56 h ARG 168 Cb 0.55 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 3i56 h ARG 168 CO 0.02 0.53 -0.64 0.00 -1.07 0.00 0.00 179.97 178.81 3i56 h ARG 169 N 0.29 0.62 0.00 0.04 3.08 -1.19 -2.36 114.38 114.86 3i56 h ARG 169 Ca 0.05 -0.44 -0.01 0.00 0.07 0.00 0.00 59.98 59.65 3i56 h ARG 169 Cb 0.55 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 3i56 h ARG 169 CO 0.04 1.06 -0.06 -0.97 -1.07 0.00 0.00 179.97 178.96 3i56 h ASN 170 N 0.45 0.00 -0.04 7.04 -1.24 -1.09 -2.71 115.58 117.99 3i56 h ASN 170 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 3i56 h ASN 170 Cb 1.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.27 3i56 h ASN 170 CO 0.12 0.06 0.00 0.54 -1.29 0.00 0.00 177.43 176.87 3i56 n ARG 171 N -3.15 1.41 -0.96 6.67 1.74 -0.54 -4.91 116.66 116.92 3i56 n ARG 171 Ca 0.02 -0.60 0.00 0.00 -0.77 0.00 0.00 57.85 56.49 3i56 n ARG 171 Cb 0.42 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 3i56 n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i56 n GLY 172 N 1.07 0.42 0.84 -0.13 0.00 -1.02 -4.82 105.19 101.55 3i56 n GLY 172 Ca 0.19 -0.97 0.05 0.00 0.00 0.00 0.00 46.02 45.29 3i56 n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i56 n LEU 173 N 0.00 2.40 0.16 0.99 4.77 -0.91 -4.50 117.00 119.90 3i56 n LEU 173 Ca 0.00 -1.21 -0.07 0.00 -0.03 0.00 0.00 56.01 54.71 3i56 n LEU 173 Cb 0.00 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 3i56 n LEU 173 CO 0.00 0.46 0.28 0.28 -1.33 0.00 0.00 177.39 177.08 3i56 h SER 174 N 2.01 -0.37 -3.52 -1.43 0.02 -1.84 -3.45 113.55 104.97 3i56 h SER 174 Ca 0.00 0.01 -0.52 0.00 -0.84 0.00 0.00 61.79 60.44 3i56 h SER 174 Cb 0.74 0.10 0.05 0.00 0.14 0.00 0.00 62.40 63.43 3i56 h SER 174 CO 0.09 -0.13 0.67 -0.83 -1.14 0.00 0.00 176.83 175.49 3i56 s GLY 175 N -2.21 2.58 0.17 -3.77 0.00 -1.26 -4.93 107.32 97.89 3i56 s GLY 175 Ca -0.06 1.21 0.23 0.00 0.00 0.00 0.00 44.72 46.09 3i56 s GLY 175 CO 0.19 2.07 1.15 0.50 0.00 0.00 0.00 173.10 177.02 3i56 h LYS 176 N 4.70 0.00 0.00 2.90 1.57 -1.96 -3.44 116.57 120.35 3i56 h LYS 176 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3i56 h LYS 176 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3i56 h LYS 176 CO 0.74 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.03 3i56 n GLY 177 N 1.25 1.17 3.71 3.86 0.00 -1.26 -4.95 105.19 108.96 3i56 n GLY 177 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3i56 n GLY 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i56 n LYS 178 N 0.00 2.58 0.00 1.61 4.81 -1.26 -2.58 118.16 123.32 3i56 n LYS 178 Ca 0.00 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 3i56 n LYS 178 Cb 0.00 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.32 3i56 n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i56 n GLY 179 N 3.33 3.06 2.05 3.14 0.00 -1.26 -4.93 105.19 110.58 3i56 n GLY 179 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 3i56 n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i56 n SER 180 N 0.00 3.53 -0.10 1.61 3.41 -1.06 -4.58 113.62 116.43 3i56 n SER 180 Ca 0.00 -3.64 -0.13 0.00 -0.26 0.00 0.00 58.87 54.84 3i56 n SER 180 Cb 0.00 -0.80 -0.04 0.00 -0.26 0.00 0.00 64.21 63.11 3i56 n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3i56 h GLU 181 N 1.01 0.71 -0.05 4.33 3.07 -1.91 -3.10 114.58 118.63 3i56 h GLU 181 Ca 0.57 -0.36 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 3i56 h GLU 181 Cb 2.67 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 30.58 3i56 h GLU 181 CO 0.98 0.98 0.00 1.63 -1.40 0.00 0.00 179.01 181.20 3i56 n LYS 182 N -4.27 1.80 -0.12 2.33 4.76 -1.26 -4.47 118.16 116.93 3i56 n LYS 182 Ca -0.04 -1.17 -0.26 0.00 -2.87 0.00 0.00 58.31 53.97 3i56 n LYS 182 Cb 0.46 -1.46 -0.09 0.00 -1.84 0.00 0.00 35.03 32.10 3i56 n LYS 182 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3i56 n THR 183 N 0.42 1.37 -3.12 -0.18 -2.24 -1.21 -4.17 114.28 105.16 3i56 n THR 183 Ca 0.18 -0.34 -0.39 0.00 -2.27 0.00 0.00 64.05 61.23 3i56 n THR 183 Cb 0.40 -1.85 -0.06 0.00 -2.10 0.00 0.00 70.33 66.72 3i56 n THR 183 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3i56 s ARG 184 N -2.46 4.39 0.41 -0.78 3.52 -1.18 -2.26 118.95 120.59 3i56 s ARG 184 Ca -0.35 0.96 0.25 0.00 -0.13 0.00 0.00 55.73 56.46 3i56 s ARG 184 Cb 0.13 -3.22 0.59 0.00 -1.56 0.00 0.00 34.95 30.89 3i56 s ARG 184 CO 0.44 0.59 1.69 -1.00 -0.81 0.00 0.00 175.30 176.21 3i56 h PRO 185 N 4.34 0.00 -2.46 5.12 0.13 -1.91 -3.47 132.00 133.74 3i56 h PRO 185 Ca -0.48 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 3i56 h PRO 185 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 3i56 h PRO 185 CO 0.65 0.00 0.31 -1.54 -0.23 0.00 0.00 178.00 177.19 3i56 s SER 186 N -5.80 -0.52 0.14 1.44 1.04 -0.96 -5.04 113.70 104.01 3i56 s SER 186 Ca 0.07 0.20 -0.10 0.00 0.48 0.00 0.00 55.95 56.59 3i56 s SER 186 Cb 0.07 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.64 3i56 s SER 186 CO 0.63 -0.74 1.44 -0.07 0.98 0.00 0.00 173.24 175.48 3i56 h LEU 187 N 2.27 0.96 -1.41 2.42 3.38 -1.81 -2.94 115.31 118.19 3i56 h LEU 187 Ca -0.28 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.15 3i56 h LEU 187 Cb 1.24 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3i56 h LEU 187 CO 0.36 1.28 -0.29 -0.09 0.09 0.00 0.00 178.44 179.78 3i56 h ARG 188 N 0.69 0.00 0.00 1.13 2.43 -1.92 -0.96 114.38 115.75 3i56 h ARG 188 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3i56 h ARG 188 Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3i56 h ARG 188 CO 0.11 0.29 -0.14 0.66 -1.51 0.00 0.00 179.97 179.39 3i56 h SER 189 N 0.00 0.00 -0.61 -3.80 4.64 -1.93 -3.23 113.55 108.62 3i56 h SER 189 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3i56 h SER 189 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3i56 h SER 189 CO 0.04 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.59 3i56 n ASN 190 N -2.88 4.95 0.00 4.97 3.02 -0.72 -4.94 115.26 119.66 3i56 n ASN 190 Ca 0.04 -2.58 0.00 0.00 -0.03 0.00 0.00 54.58 52.01 3i56 n ASN 190 Cb 0.51 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 3i56 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i56 n GLY 191 N 0.97 0.45 2.06 7.41 0.00 -1.13 -3.87 105.19 111.09 3i56 n GLY 191 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.20 3i56 n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 192 N -2.22 0.21 0.58 -0.02 0.00 -0.44 -4.99 105.19 98.30 3i56 n GLY 192 Ca 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.80 3i56 n GLY 192 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i56 n LYS 193 N -2.23 2.06 0.00 1.61 5.02 -1.25 -5.09 118.16 118.28 3i56 n LYS 193 Ca -0.08 -1.75 0.14 0.00 -2.02 0.00 0.00 58.31 54.61 3i56 n LYS 193 Cb 0.55 -1.25 0.49 0.00 -0.02 0.00 0.00 35.03 34.80 3i56 n LYS 193 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29