#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 s ARG 2 N 0.00 0.41 -0.03 -0.52 3.52 -1.26 -1.51 118.95 119.56 3i55 s ARG 2 Ca 0.00 0.81 0.04 0.00 -0.13 0.00 0.00 55.73 56.45 3i55 s ARG 2 Cb 0.00 -0.02 -0.00 0.00 -1.56 0.00 0.00 34.95 33.37 3i55 s ARG 2 CO 0.00 -0.16 -0.14 0.14 -0.81 0.00 0.00 175.30 174.33 3i55 s VAL 3 N 1.42 1.19 -0.14 7.11 -7.23 -0.07 -4.99 120.40 117.69 3i55 s VAL 3 Ca -0.10 -0.60 0.01 0.00 -1.81 0.00 0.00 61.98 59.49 3i55 s VAL 3 Cb -0.08 -1.03 -0.00 0.00 0.56 0.00 0.00 36.38 35.83 3i55 s VAL 3 CO -0.13 0.35 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.22 3i55 s GLU 4 N 0.01 3.20 -0.14 4.82 2.02 -1.26 -1.56 118.70 125.79 3i55 s GLU 4 Ca -0.02 -0.77 -0.04 0.00 0.02 0.00 0.00 54.97 54.16 3i55 s GLU 4 Cb -0.10 -2.54 -0.03 0.00 0.10 0.00 0.00 34.13 31.56 3i55 s GLU 4 CO 0.01 0.10 0.01 -0.51 0.02 0.00 0.00 175.26 174.89 3i55 s LEU 5 N 0.60 3.53 -0.32 1.80 1.43 0.01 -4.93 118.68 120.80 3i55 s LEU 5 Ca -0.10 0.02 -0.19 0.00 -1.03 0.00 0.00 54.13 52.83 3i55 s LEU 5 Cb -0.16 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 3i55 s LEU 5 CO 0.03 0.24 0.56 -1.61 0.23 0.00 0.00 176.35 175.80 3i55 s GLU 6 N -0.02 3.80 -0.02 1.70 2.02 -1.26 -0.30 118.70 124.61 3i55 s GLU 6 Ca 0.03 0.09 -0.30 0.00 0.02 0.00 0.00 54.97 54.82 3i55 s GLU 6 Cb -0.13 -3.75 -0.04 0.00 0.10 0.00 0.00 34.13 30.31 3i55 s GLU 6 CO 0.02 -0.57 1.29 -1.50 0.02 0.00 0.00 175.26 174.51 3i55 s ILE 7 N 2.48 3.99 0.54 -1.63 2.07 -1.03 -4.97 121.20 122.64 3i55 s ILE 7 Ca 0.22 1.35 -0.20 0.00 -1.41 0.00 0.00 60.65 60.62 3i55 s ILE 7 Cb -0.15 -3.87 -0.09 0.00 0.13 0.00 0.00 42.46 38.48 3i55 s ILE 7 CO 0.12 0.00 0.69 -2.65 -1.91 0.00 0.00 174.94 171.20 3i55 n PRO 8 N 5.19 0.72 -0.22 3.50 -0.02 -1.26 -4.82 135.00 138.09 3i55 n PRO 8 Ca 0.12 0.27 0.05 0.00 -2.02 0.00 0.00 63.50 61.92 3i55 n PRO 8 Cb 0.45 -1.83 0.31 0.00 -0.02 0.00 0.00 33.50 32.41 3i55 n PRO 8 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3i55 h GLU 9 N 0.54 0.84 0.00 -0.52 4.11 -2.00 0.28 114.58 117.83 3i55 h GLU 9 Ca -0.45 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 58.92 3i55 h GLU 9 Cb 1.38 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 3i55 h GLU 9 CO 0.50 0.55 -0.04 0.22 0.07 0.00 0.00 179.01 180.31 3i55 h ASP 10 N 0.86 0.00 -3.11 3.06 1.82 -1.98 -3.44 116.42 113.64 3i55 h ASP 10 Ca 0.33 0.00 -0.59 0.00 -0.39 0.00 0.00 57.03 56.38 3i55 h ASP 10 Cb 0.20 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.17 3i55 h ASP 10 CO -0.11 0.04 -0.36 -0.69 -1.61 0.00 0.00 179.24 176.52 3i55 s VAL 11 N -4.54 5.22 -0.27 2.25 1.01 0.97 -4.54 120.40 120.49 3i55 s VAL 11 Ca -0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 3i55 s VAL 11 Cb 0.15 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 33.00 3i55 s VAL 11 CO 0.58 0.06 0.11 -1.81 0.00 0.00 0.00 175.10 174.04 3i55 s ASP 12 N -2.45 3.42 -0.37 3.32 1.01 -1.06 -4.72 116.67 115.83 3i55 s ASP 12 Ca 0.40 -1.23 -0.09 0.00 0.71 0.00 0.00 52.55 52.34 3i55 s ASP 12 Cb -0.12 -0.44 0.05 0.00 1.01 0.00 0.00 42.92 43.42 3i55 s ASP 12 CO 0.25 -0.42 0.18 0.00 0.21 0.00 0.00 175.17 175.40 3i55 s ALA 13 N 2.01 3.18 0.56 5.23 0.00 -1.26 -2.55 121.76 128.93 3i55 s ALA 13 Ca 0.08 -1.85 0.05 0.00 0.00 0.00 0.00 51.96 50.23 3i55 s ALA 13 Cb -0.16 -2.47 0.10 0.00 0.00 0.00 0.00 23.12 20.58 3i55 s ALA 13 CO -0.30 -1.44 0.73 -1.91 0.00 0.00 0.00 175.76 172.84 3i55 n GLU 14 N 4.89 0.43 -3.64 0.00 2.13 -0.89 -4.93 120.64 118.63 3i55 n GLU 14 Ca -0.11 -2.50 -0.02 0.00 0.66 0.00 0.00 57.16 55.19 3i55 n GLU 14 Cb 0.45 -0.33 -0.04 0.00 0.27 0.00 0.00 31.44 31.79 3i55 n GLU 14 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3i55 s GLN 15 N -4.37 0.08 -0.14 5.31 -0.44 -1.26 -2.31 119.66 116.53 3i55 s GLN 15 Ca 0.53 0.01 -0.09 0.00 -2.50 0.00 0.00 55.36 53.30 3i55 s GLN 15 Cb -0.04 0.04 0.05 0.00 -1.64 0.00 0.00 33.01 31.42 3i55 s GLN 15 CO 0.34 -0.03 0.35 0.16 0.50 0.00 0.00 175.29 176.61 3i55 s ASP 16 N -1.24 -0.40 1.89 6.67 -4.77 -0.66 -5.02 116.67 113.14 3i55 s ASP 16 Ca 0.09 0.73 0.00 0.00 -3.30 0.00 0.00 52.55 50.07 3i55 s ASP 16 Cb -0.01 0.65 0.00 0.00 -1.09 0.00 0.00 42.92 42.47 3i55 s ASP 16 CO -0.07 -0.16 0.00 1.41 0.70 0.00 0.00 175.17 177.05 3i55 n HIS 17 N 3.84 0.00 0.20 2.11 8.25 -1.26 -1.26 115.22 127.10 3i55 n HIS 17 Ca -0.21 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.36 3i55 n HIS 17 Cb 0.55 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.86 3i55 n HIS 17 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3i55 n LEU 18 N 0.00 3.30 -4.88 2.41 4.77 -1.26 -4.94 117.00 116.41 3i55 n LEU 18 Ca 0.00 -1.56 -0.36 0.00 -0.03 0.00 0.00 56.01 54.06 3i55 n LEU 18 Cb 0.00 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 3i55 n LEU 18 CO 0.00 0.73 -0.10 -1.81 -1.33 0.00 0.00 177.39 174.88 3i55 s ASP 19 N -1.33 6.47 -0.06 -1.43 1.01 -0.39 -1.82 116.67 119.13 3i55 s ASP 19 Ca 0.35 0.55 0.01 0.00 0.71 0.00 0.00 52.55 54.17 3i55 s ASP 19 Cb 0.20 -2.09 0.02 0.00 1.01 0.00 0.00 42.92 42.06 3i55 s ASP 19 CO 0.28 0.34 -0.06 -0.63 0.21 0.00 0.00 175.17 175.32 3i55 s ILE 20 N -1.14 0.66 -0.04 0.77 1.01 0.19 -1.65 121.20 121.01 3i55 s ILE 20 Ca 0.21 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.72 3i55 s ILE 20 Cb -0.13 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 3i55 s ILE 20 CO 0.10 0.26 -0.11 -0.89 0.00 0.00 0.00 174.94 174.30 3i55 s THR 21 N 1.03 3.33 -0.14 2.92 2.01 -0.98 0.58 115.64 124.40 3i55 s THR 21 Ca -0.09 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 3i55 s THR 21 Cb -0.14 -2.36 0.04 0.00 0.01 0.00 0.00 72.50 70.05 3i55 s THR 21 CO -0.00 0.53 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.73 3i55 s VAL 22 N -0.82 0.94 -0.07 3.82 1.01 0.11 -2.10 120.40 123.29 3i55 s VAL 22 Ca 0.13 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 3i55 s VAL 22 Cb -0.11 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 3i55 s VAL 22 CO 0.02 0.20 -0.04 -1.61 0.00 0.00 0.00 175.10 173.68 3i55 s GLU 23 N 1.72 2.83 0.25 2.72 2.02 -1.06 0.73 118.70 127.91 3i55 s GLU 23 Ca 0.03 -0.50 -0.00 0.00 0.02 0.00 0.00 54.97 54.51 3i55 s GLU 23 Cb -0.14 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.42 3i55 s GLU 23 CO -0.08 0.67 0.32 0.41 0.02 0.00 0.00 175.26 176.61 3i55 n GLY 24 N 2.10 2.56 0.00 -1.39 0.00 0.20 -2.56 105.19 106.12 3i55 n GLY 24 Ca -0.18 -1.60 0.10 0.00 0.00 0.00 0.00 46.02 44.34 3i55 n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i55 n ASP 25 N -1.83 0.00 -0.90 1.61 8.00 -1.04 -2.06 116.55 120.32 3i55 n ASP 25 Ca 0.01 0.25 0.10 0.00 0.71 0.00 0.00 54.79 55.86 3i55 n ASP 25 Cb 0.42 -0.39 0.15 0.00 -0.02 0.00 0.00 41.12 41.28 3i55 n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3i55 n ASN 26 N -1.39 2.99 0.00 -2.24 5.15 0.27 -5.03 115.26 115.01 3i55 n ASN 26 Ca 0.07 -1.88 0.00 0.00 -0.60 0.00 0.00 54.58 52.17 3i55 n ASN 26 Cb 0.19 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.29 3i55 n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i55 n GLY 27 N 1.16 0.96 3.61 8.20 0.00 -0.88 -4.62 105.19 113.61 3i55 n GLY 27 Ca 0.15 -2.29 -0.23 0.00 0.00 0.00 0.00 46.02 43.64 3i55 n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i55 s SER 28 N 0.00 4.34 -0.16 1.61 1.04 -1.26 -0.62 113.70 118.65 3i55 s SER 28 Ca 0.00 -0.71 -0.05 0.00 0.48 0.00 0.00 55.95 55.67 3i55 s SER 28 Cb 0.00 -0.73 0.08 0.00 0.10 0.00 0.00 66.02 65.47 3i55 s SER 28 CO 0.00 0.02 0.29 -0.69 0.98 0.00 0.00 173.24 173.83 3i55 s VAL 29 N -2.32 -0.45 -0.10 5.02 1.01 0.22 -4.85 120.40 118.94 3i55 s VAL 29 Ca 0.31 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 3i55 s VAL 29 Cb -0.06 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 3i55 s VAL 29 CO 0.19 0.04 0.04 -0.89 0.00 0.00 0.00 175.10 174.48 3i55 s THR 30 N 2.44 4.66 0.15 3.92 2.01 -1.26 0.08 115.64 127.64 3i55 s THR 30 Ca 0.03 -0.11 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 3i55 s THR 30 Cb -0.13 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 3i55 s THR 30 CO -0.10 0.60 0.13 -0.13 -0.69 0.00 0.00 174.62 174.43 3i55 s ARG 31 N -0.87 1.02 -0.24 4.92 0.52 0.20 -4.96 118.95 119.54 3i55 s ARG 31 Ca 0.13 -1.39 0.02 0.00 -0.52 0.00 0.00 55.73 53.98 3i55 s ARG 31 Cb -0.12 0.28 0.05 0.00 0.52 0.00 0.00 34.95 35.69 3i55 s ARG 31 CO 0.03 -0.32 -0.13 0.50 0.02 0.00 0.00 175.30 175.40 3i55 s ARG 32 N -4.04 2.41 -0.76 3.54 3.52 -1.26 0.56 118.95 122.92 3i55 s ARG 32 Ca 0.24 -1.24 -0.07 0.00 -0.13 0.00 0.00 55.73 54.53 3i55 s ARG 32 Cb 0.06 -2.83 0.20 0.00 -1.56 0.00 0.00 34.95 30.82 3i55 s ARG 32 CO 0.02 -0.49 0.64 -0.51 -0.81 0.00 0.00 175.30 174.15 3i55 s LEU 33 N 1.14 5.90 -0.19 -0.88 1.43 -0.76 -5.01 118.68 120.32 3i55 s LEU 33 Ca -0.06 -2.95 -0.02 0.00 -1.03 0.00 0.00 54.13 50.07 3i55 s LEU 33 Cb -0.18 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 3i55 s LEU 33 CO -0.07 -0.42 -0.09 0.86 0.23 0.00 0.00 176.35 176.87 3i55 s TRP 34 N -0.21 2.89 0.03 0.29 -0.00 -1.26 -4.87 118.94 115.81 3i55 s TRP 34 Ca 0.19 -0.97 -0.24 0.00 -0.00 0.00 0.00 56.10 55.09 3i55 s TRP 34 Cb -0.14 -2.01 0.06 0.00 -0.00 0.00 0.00 33.47 31.37 3i55 s TRP 34 CO -0.07 -0.50 0.55 -0.47 -0.00 0.00 0.00 176.95 176.47 3i55 s TYR 35 N 1.15 -0.47 -0.22 5.86 5.04 -1.26 -5.12 117.35 122.32 3i55 s TYR 35 Ca 0.01 0.59 -0.30 0.00 -2.44 0.00 0.00 57.07 54.93 3i55 s TYR 35 Cb -0.14 0.36 -0.07 0.00 0.35 0.00 0.00 41.96 42.46 3i55 s TYR 35 CO -0.03 -0.64 2.18 -2.30 -1.34 0.00 0.00 175.55 173.42 3i55 n PRO 36 N 0.48 1.83 -2.22 4.97 -0.02 -1.26 -3.01 135.00 135.78 3i55 n PRO 36 Ca -0.18 0.53 -0.17 0.00 -2.02 0.00 0.00 63.50 61.66 3i55 n PRO 36 Cb 0.60 -3.01 -0.02 0.00 -0.02 0.00 0.00 33.50 31.05 3i55 n PRO 36 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3i55 n ASP 37 N 10.73 -4.96 -4.21 2.55 8.00 -1.26 -5.00 116.55 122.40 3i55 n ASP 37 Ca 0.31 0.04 -0.34 0.00 0.71 0.00 0.00 54.79 55.51 3i55 n ASP 37 Cb 0.39 -4.04 -0.15 0.00 -0.02 0.00 0.00 41.12 37.29 3i55 n ASP 37 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i55 s ILE 38 N -2.81 2.75 -0.22 0.53 1.01 -1.16 -4.07 121.20 117.23 3i55 s ILE 38 Ca 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 3i55 s ILE 38 Cb 0.00 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 3i55 s ILE 38 CO 0.00 0.41 -0.01 -1.81 0.00 0.00 0.00 174.94 173.53 3i55 s ASP 39 N 1.37 4.58 -0.17 3.58 1.01 0.87 -4.65 116.67 123.27 3i55 s ASP 39 Ca 0.04 -0.30 -0.09 0.00 0.71 0.00 0.00 52.55 52.91 3i55 s ASP 39 Cb -0.14 -1.79 -0.05 0.00 1.01 0.00 0.00 42.92 41.95 3i55 s ASP 39 CO -0.07 0.01 0.12 -0.69 0.21 0.00 0.00 175.17 174.74 3i55 s VAL 40 N 1.33 5.32 0.01 -1.27 1.01 -1.25 -1.86 120.40 123.69 3i55 s VAL 40 Ca 0.04 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.07 3i55 s VAL 40 Cb -0.14 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.85 3i55 s VAL 40 CO -0.00 0.50 0.20 -0.94 0.00 0.00 0.00 175.10 174.85 3i55 s SER 41 N -0.04 -0.02 -0.49 3.32 1.04 0.52 -4.96 113.70 113.08 3i55 s SER 41 Ca 0.09 -0.20 -0.19 0.00 0.48 0.00 0.00 55.95 56.13 3i55 s SER 41 Cb -0.11 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.31 3i55 s SER 41 CO -0.00 -0.46 0.60 -0.69 0.98 0.00 0.00 173.24 173.67 3i55 s VAL 42 N -1.81 4.90 -1.12 5.02 1.01 -1.26 0.61 120.40 127.75 3i55 s VAL 42 Ca -0.11 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 3i55 s VAL 42 Cb -0.05 -4.25 0.28 0.00 0.00 0.00 0.00 36.38 32.37 3i55 s VAL 42 CO 0.00 -0.72 1.48 -0.67 0.00 0.00 0.00 175.10 175.19 3i55 n ASP 43 N 6.08 6.08 0.00 3.32 2.03 0.32 -4.90 116.55 129.49 3i55 n ASP 43 Ca -0.06 -3.30 0.00 0.00 0.52 0.00 0.00 54.79 51.95 3i55 n ASP 43 Cb 0.46 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 3i55 n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i55 n GLY 44 N 1.81 1.38 0.23 0.27 0.00 -1.26 -2.50 105.19 105.11 3i55 n GLY 44 Ca 0.28 0.35 0.07 0.00 0.00 0.00 0.00 46.02 46.72 3i55 n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i55 n ASP 45 N 3.75 1.75 -3.88 1.61 5.75 -1.26 -5.02 116.55 119.26 3i55 n ASP 45 Ca 0.00 -2.87 -0.11 0.00 -0.01 0.00 0.00 54.79 51.80 3i55 n ASP 45 Cb 0.00 -0.38 -0.12 0.00 -1.03 0.00 0.00 41.12 39.59 3i55 n ASP 45 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3i55 s THR 46 N -2.18 0.03 -0.20 2.12 -4.23 -1.04 -2.48 115.64 107.66 3i55 s THR 46 Ca 0.25 -0.27 -0.09 0.00 -1.18 0.00 0.00 61.69 60.39 3i55 s THR 46 Cb 0.22 -0.18 -0.05 0.00 1.34 0.00 0.00 72.50 73.84 3i55 s THR 46 CO 0.01 -0.15 0.12 -0.69 -0.54 0.00 0.00 174.62 173.37 3i55 s VAL 47 N -0.45 5.27 -0.18 2.29 1.01 0.59 0.12 120.40 129.04 3i55 s VAL 47 Ca -0.05 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 3i55 s VAL 47 Cb -0.03 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 3i55 s VAL 47 CO 0.00 0.44 -0.03 -0.69 0.00 0.00 0.00 175.10 174.82 3i55 s VAL 48 N 0.43 3.83 -0.26 2.92 1.01 0.20 -0.81 120.40 127.72 3i55 s VAL 48 Ca 0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 3i55 s VAL 48 Cb -0.12 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.61 3i55 s VAL 48 CO -0.01 0.47 -0.06 -0.63 0.00 0.00 0.00 175.10 174.86 3i55 s ILE 49 N 0.68 2.68 0.02 2.22 1.01 -0.60 -0.35 121.20 126.85 3i55 s ILE 49 Ca -0.02 -1.30 -0.07 0.00 0.00 0.00 0.00 60.65 59.27 3i55 s ILE 49 Cb -0.14 -2.46 -0.00 0.00 0.01 0.00 0.00 42.46 39.87 3i55 s ILE 49 CO 0.02 0.06 0.14 -1.83 0.00 0.00 0.00 174.94 173.33 3i55 s GLU 50 N 1.24 0.54 -0.03 2.79 -1.05 -0.78 -0.89 118.70 120.53 3i55 s GLU 50 Ca -0.04 -0.52 -0.11 0.00 -0.15 0.00 0.00 54.97 54.15 3i55 s GLU 50 Cb -0.18 0.22 0.02 0.00 -0.44 0.00 0.00 34.13 33.74 3i55 s GLU 50 CO -0.04 -0.14 0.24 0.45 0.95 0.00 0.00 175.26 176.72 3i55 s SER 51 N -1.67 -0.14 0.46 0.83 0.15 -0.57 -0.09 113.70 112.68 3i55 s SER 51 Ca -0.11 0.10 0.26 0.00 0.70 0.00 0.00 55.95 56.90 3i55 s SER 51 Cb -0.05 0.33 1.01 0.00 -1.71 0.00 0.00 66.02 65.60 3i55 s SER 51 CO -0.01 -0.32 1.86 0.44 1.20 0.00 0.00 173.24 176.41 3i55 h ASP 52 N 4.51 0.00 -3.22 5.45 3.32 -1.86 -2.49 116.42 122.13 3i55 h ASP 52 Ca -0.29 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.25 3i55 h ASP 52 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 3i55 h ASP 52 CO 0.39 0.17 -0.11 -1.61 -1.72 0.00 0.00 179.24 176.36 3i55 s GLU 53 N -3.66 3.62 -0.29 3.56 2.02 -1.26 -4.64 118.70 118.05 3i55 s GLU 53 Ca 0.01 0.02 0.17 0.00 0.02 0.00 0.00 54.97 55.19 3i55 s GLU 53 Cb 0.10 -2.61 0.48 0.00 0.10 0.00 0.00 34.13 32.20 3i55 s GLU 53 CO 0.62 0.17 1.09 -0.40 0.02 0.00 0.00 175.26 176.76 3i55 n ASP 54 N -1.11 2.53 -4.89 -0.19 5.75 -1.26 -4.25 116.55 113.12 3i55 n ASP 54 Ca -0.02 -2.68 -0.34 0.00 -0.01 0.00 0.00 54.79 51.75 3i55 n ASP 54 Cb 0.54 -0.46 -0.05 0.00 -1.03 0.00 0.00 41.12 40.12 3i55 n ASP 54 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3i55 s ASN 55 N -3.60 6.45 0.17 -1.12 2.20 -1.26 -4.89 114.94 112.89 3i55 s ASN 55 Ca 0.34 0.48 -0.05 0.00 -0.94 0.00 0.00 52.86 52.69 3i55 s ASN 55 Cb 0.37 -2.06 0.28 0.00 -2.00 0.00 0.00 41.25 37.85 3i55 s ASN 55 CO -0.02 0.26 0.97 0.00 -2.94 0.00 0.00 177.10 175.38 3i55 n ALA 56 N 1.09 0.14 -0.06 3.54 0.00 -1.26 0.77 120.51 124.73 3i55 n ALA 56 Ca -0.11 0.68 -0.11 0.00 0.00 0.00 0.00 53.44 53.90 3i55 n ALA 56 Cb 0.53 -0.41 -0.04 0.00 0.00 0.00 0.00 19.45 19.53 3i55 n ALA 56 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i55 h LYS 57 N 0.00 0.31 -0.24 0.00 1.57 -2.00 -0.22 116.57 115.99 3i55 h LYS 57 Ca 0.30 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3i55 h LYS 57 Cb 0.45 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3i55 h LYS 57 CO -0.64 0.37 0.14 1.15 -0.57 0.00 0.00 179.45 179.89 3i55 h THR 58 N 0.17 1.02 -0.67 -0.16 2.02 -0.04 -2.41 112.91 112.84 3i55 h THR 58 Ca 0.07 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.19 3i55 h THR 58 Cb 0.18 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 3i55 h THR 58 CO -0.01 0.05 0.40 0.24 0.37 0.00 0.00 175.52 176.58 3i55 h MET 59 N 0.28 0.75 -0.40 6.66 2.86 -0.75 -1.77 114.93 122.56 3i55 h MET 59 Ca 0.10 -0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.77 3i55 h MET 59 Cb 0.00 -0.17 -0.09 0.00 0.06 0.00 0.00 31.60 31.40 3i55 h MET 59 CO -0.05 0.50 -0.32 0.77 1.06 0.00 0.00 176.91 178.87 3i55 h SER 60 N 0.78 -1.07 -0.15 1.22 0.02 -0.53 -1.41 113.55 112.40 3i55 h SER 60 Ca 0.28 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.41 3i55 h SER 60 Cb 0.08 0.50 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 3i55 h SER 60 CO -0.13 -0.32 0.06 0.74 -1.14 0.00 0.00 176.83 176.04 3i55 h THR 61 N -0.25 1.16 -0.49 -2.27 2.02 -1.25 -1.95 112.91 109.87 3i55 h THR 61 Ca 0.17 -0.48 0.09 0.00 0.77 0.00 0.00 66.41 66.97 3i55 h THR 61 Cb 0.53 1.19 -0.10 0.00 -1.74 0.00 0.00 68.15 68.03 3i55 h THR 61 CO -0.54 0.15 -0.30 0.40 0.37 0.00 0.00 175.52 175.60 3i55 h ILE 62 N 0.09 0.23 -0.72 3.11 2.04 -0.84 0.55 117.51 121.97 3i55 h ILE 62 Ca 0.05 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.04 3i55 h ILE 62 Cb 0.18 0.23 -0.09 0.00 -0.74 0.00 0.00 36.82 36.40 3i55 h ILE 62 CO -0.00 0.00 0.28 1.23 0.00 0.00 0.00 178.15 179.65 3i55 h GLY 63 N -0.19 1.07 0.98 5.37 0.00 -1.06 -1.29 103.07 107.94 3i55 h GLY 63 Ca 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 3i55 h GLY 63 CO -0.60 -0.08 0.21 -0.84 0.00 0.00 0.00 176.54 175.24 3i55 h THR 64 N 0.43 1.22 -0.80 4.70 2.02 0.51 -2.69 112.91 118.30 3i55 h THR 64 Ca 0.39 -0.66 0.03 0.00 0.77 0.00 0.00 66.41 66.93 3i55 h THR 64 Cb 0.56 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 3i55 h THR 64 CO -0.38 0.25 0.51 -0.26 0.37 0.00 0.00 175.52 176.02 3i55 h PHE 65 N 0.71 0.97 0.00 3.16 0.05 0.94 -1.31 116.94 121.45 3i55 h PHE 65 Ca 0.18 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.99 3i55 h PHE 65 Cb 0.19 -0.32 0.00 0.00 2.00 0.00 0.00 35.95 37.82 3i55 h PHE 65 CO 0.01 0.56 0.00 0.94 -0.18 0.00 0.00 178.31 179.64 3i55 n GLN 66 N -4.58 0.00 -0.47 1.51 7.27 -0.64 -0.99 117.38 119.48 3i55 n GLN 66 Ca 0.09 0.60 0.42 0.00 0.07 0.00 0.00 57.00 58.18 3i55 n GLN 66 Cb 0.08 -1.46 0.76 0.00 2.41 0.00 0.00 30.24 32.02 3i55 n GLN 66 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 3i55 h SER 67 N 0.00 0.00 -0.01 1.69 0.02 -1.37 1.06 113.55 114.94 3i55 h SER 67 Ca 0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 3i55 h SER 67 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 3i55 h SER 67 CO 0.00 0.00 -0.82 0.45 -1.14 0.00 0.00 176.83 175.32 3i55 h HIS 68 N 0.00 0.93 0.11 3.45 3.86 -0.42 -1.91 115.15 121.17 3i55 h HIS 68 Ca 0.72 -0.43 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 3i55 h HIS 68 Cb 2.98 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 31.32 3i55 h HIS 68 CO 0.00 1.24 -0.05 0.82 0.86 0.00 0.00 177.93 180.80 3i55 h ILE 69 N 0.44 1.03 -0.82 2.45 2.04 0.29 -2.57 117.51 120.38 3i55 h ILE 69 Ca -0.06 -1.28 0.16 0.00 1.00 0.00 0.00 64.86 64.68 3i55 h ILE 69 Cb 1.44 1.75 -0.10 0.00 -0.74 0.00 0.00 36.82 39.17 3i55 h ILE 69 CO 0.16 0.27 0.37 -0.33 0.00 0.00 0.00 178.15 178.62 3i55 h GLU 70 N -0.82 0.48 -0.39 2.37 5.08 -1.09 0.15 114.58 120.37 3i55 h GLU 70 Ca -0.02 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3i55 h GLU 70 Cb 0.56 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3i55 h GLU 70 CO 0.02 0.32 0.24 -0.91 -1.00 0.00 0.00 179.01 177.68 3i55 h ASN 71 N 0.50 0.46 -0.72 1.42 4.21 -1.38 -2.17 115.58 117.90 3i55 h ASN 71 Ca 0.46 -0.05 0.09 0.00 1.21 0.00 0.00 56.30 58.01 3i55 h ASN 71 Cb 0.72 -0.12 -0.07 0.00 -1.12 0.00 0.00 38.32 37.74 3i55 h ASN 71 CO -0.41 0.37 0.38 0.24 -1.29 0.00 0.00 177.43 176.71 3i55 h MET 72 N 0.51 0.63 0.34 0.81 2.86 -0.32 0.38 114.93 120.14 3i55 h MET 72 Ca 0.14 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3i55 h MET 72 Cb -0.01 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 3i55 h MET 72 CO -0.03 0.42 -0.43 0.74 1.06 0.00 0.00 176.91 178.67 3i55 h PHE 73 N 0.65 -1.22 -0.27 -0.22 0.05 -0.76 -0.69 116.94 114.48 3i55 h PHE 73 Ca 0.35 0.02 0.08 0.00 3.82 0.00 0.00 57.97 62.23 3i55 h PHE 73 Cb 0.32 0.49 -0.01 0.00 2.00 0.00 0.00 35.95 38.75 3i55 h PHE 73 CO -0.09 -0.55 0.41 1.25 -0.18 0.00 0.00 178.31 179.15 3i55 h HIS 74 N -0.80 0.00 0.01 -0.55 2.76 -0.74 -1.50 115.15 114.32 3i55 h HIS 74 Ca -0.04 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.09 3i55 h HIS 74 Cb 0.72 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.68 3i55 h HIS 74 CO -0.28 0.00 -0.17 0.78 -1.30 0.00 0.00 177.93 176.96 3i55 h GLY 75 N 0.00 0.12 1.96 5.26 0.00 0.51 0.93 103.07 111.85 3i55 h GLY 75 Ca 0.13 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 3i55 h GLY 75 CO -0.00 0.19 -0.44 -0.39 0.00 0.00 0.00 176.54 175.90 3i55 h VAL 76 N -0.64 1.32 0.00 4.60 -1.51 -0.57 -2.65 116.25 116.79 3i55 h VAL 76 Ca -0.02 -1.53 0.00 0.00 -1.23 0.00 0.00 66.70 63.92 3i55 h VAL 76 Cb 0.97 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.92 3i55 h VAL 76 CO 0.03 0.44 0.00 0.35 -1.23 0.00 0.00 177.57 177.16 3i55 n THR 77 N -4.01 0.00 0.34 7.19 -2.24 -0.64 0.97 114.28 115.89 3i55 n THR 77 Ca -0.02 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.60 3i55 n THR 77 Cb 0.47 -0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.54 3i55 n THR 77 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3i55 h GLU 78 N 0.00 -0.83 0.00 -0.78 5.08 -1.69 -3.39 114.58 112.97 3i55 h GLU 78 Ca 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3i55 h GLU 78 Cb 0.00 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3i55 h GLU 78 CO 0.00 -0.52 0.00 0.41 -1.00 0.00 0.00 179.01 177.90 3i55 n GLY 79 N -1.06 2.54 3.77 -3.84 0.00 0.32 -4.97 105.19 101.94 3i55 n GLY 79 Ca -0.13 -1.99 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 3i55 n GLY 79 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i55 s TRP 80 N -2.65 3.18 -0.28 1.61 0.52 0.12 -4.75 118.94 116.69 3i55 s TRP 80 Ca 0.00 0.08 -0.20 0.00 0.02 0.00 0.00 56.10 56.00 3i55 s TRP 80 Cb 0.00 -1.63 0.08 0.00 -1.15 0.00 0.00 33.47 30.78 3i55 s TRP 80 CO 0.00 0.52 0.74 -2.00 0.02 0.00 0.00 176.95 176.23 3i55 s GLU 81 N -2.30 0.73 0.00 4.98 2.12 -1.26 -0.79 118.70 122.19 3i55 s GLU 81 Ca 0.28 1.07 0.07 0.00 0.36 0.00 0.00 54.97 56.75 3i55 s GLU 81 Cb -0.12 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.50 3i55 s GLU 81 CO 0.21 -0.12 -0.22 0.71 -0.54 0.00 0.00 175.26 175.29 3i55 s TYR 82 N 1.01 2.00 0.04 5.30 1.51 -0.15 -3.39 117.35 123.66 3i55 s TYR 82 Ca -0.05 -0.38 0.04 0.00 -1.01 0.00 0.00 57.07 55.67 3i55 s TYR 82 Cb -0.05 -1.25 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 3i55 s TYR 82 CO -0.10 0.01 -0.06 0.20 -1.11 0.00 0.00 175.55 174.49 3i55 s GLY 83 N -0.74 1.80 0.04 0.71 0.00 -0.45 -0.54 107.32 108.14 3i55 s GLY 83 Ca 0.09 -1.07 0.01 0.00 0.00 0.00 0.00 44.72 43.74 3i55 s GLY 83 CO 0.00 -0.98 -0.05 1.06 0.00 0.00 0.00 173.10 173.13 3i55 s MET 84 N -1.73 0.46 -0.07 2.90 -1.94 0.24 0.26 119.30 119.41 3i55 s MET 84 Ca 0.20 -0.79 0.04 0.00 -1.71 0.00 0.00 55.69 53.43 3i55 s MET 84 Cb -0.11 -0.04 0.00 0.00 2.01 0.00 0.00 34.83 36.69 3i55 s MET 84 CO 0.11 -0.02 -0.20 -1.21 -0.01 0.00 0.00 175.02 173.69 3i55 s GLU 85 N -1.98 2.39 -0.61 2.03 2.02 -0.80 0.11 118.70 121.87 3i55 s GLU 85 Ca -0.09 -0.72 -0.21 0.00 0.02 0.00 0.00 54.97 53.97 3i55 s GLU 85 Cb -0.07 -1.91 0.08 0.00 0.10 0.00 0.00 34.13 32.33 3i55 s GLU 85 CO -0.02 0.19 0.84 0.54 0.02 0.00 0.00 175.26 176.83 3i55 s VAL 86 N 0.28 4.55 -0.10 2.63 0.11 -0.70 -2.10 120.40 125.07 3i55 s VAL 86 Ca -0.12 -0.51 -0.05 0.00 -2.93 0.00 0.00 61.98 58.36 3i55 s VAL 86 Cb -0.15 -4.56 -0.04 0.00 -1.53 0.00 0.00 36.38 30.09 3i55 s VAL 86 CO 0.06 -1.24 0.12 0.12 -3.33 0.00 0.00 175.10 170.83 3i55 s PHE 87 N 3.44 3.51 -0.07 1.54 5.36 -1.13 -4.87 117.98 125.77 3i55 s PHE 87 Ca 0.19 0.45 -0.18 0.00 -0.96 0.00 0.00 56.93 56.42 3i55 s PHE 87 Cb -0.19 -1.90 0.04 0.00 -0.34 0.00 0.00 43.02 40.63 3i55 s PHE 87 CO 0.10 0.68 0.41 1.52 -1.46 0.00 0.00 175.22 176.47 3i55 s TYR 88 N -1.05 -0.36 -0.02 10.12 -0.85 -1.26 -0.56 117.35 123.37 3i55 s TYR 88 Ca 0.16 0.70 -0.02 0.00 -0.52 0.00 0.00 57.07 57.39 3i55 s TYR 88 Cb -0.12 0.17 -0.01 0.00 0.38 0.00 0.00 41.96 42.39 3i55 s TYR 88 CO 0.06 -0.38 -0.03 -1.13 -1.52 0.00 0.00 175.55 172.55 3i55 n SER 89 N 1.69 0.20 -0.10 -0.18 3.41 -1.26 -4.90 113.62 112.48 3i55 n SER 89 Ca -0.19 0.13 -0.22 0.00 -0.26 0.00 0.00 58.87 58.33 3i55 n SER 89 Cb 0.56 -0.53 -0.12 0.00 -0.26 0.00 0.00 64.21 63.86 3i55 n SER 89 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3i55 n HIS 90 N -2.63 0.40 -3.37 7.33 -0.00 -1.26 -4.92 115.22 110.77 3i55 n HIS 90 Ca -0.01 0.11 -0.39 0.00 -0.00 0.00 0.00 57.72 57.43 3i55 n HIS 90 Cb 0.04 -1.05 -0.08 0.00 -0.00 0.00 0.00 29.99 28.90 3i55 n HIS 90 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3i55 s PHE 91 N -2.51 3.28 -0.28 1.57 0.40 -1.26 -5.01 117.98 114.17 3i55 s PHE 91 Ca -0.32 0.49 -0.28 0.00 -0.60 0.00 0.00 56.93 56.22 3i55 s PHE 91 Cb 0.10 -2.57 -0.03 0.00 0.51 0.00 0.00 43.02 41.02 3i55 s PHE 91 CO 0.61 -0.17 1.98 -2.14 0.70 0.00 0.00 175.22 176.20 3i55 s PRO 92 N 1.87 3.24 0.31 0.24 0.02 -1.26 -4.77 135.00 134.65 3i55 s PRO 92 Ca 0.17 1.68 -0.20 0.00 0.02 0.00 0.00 61.00 62.67 3i55 s PRO 92 Cb -0.15 -4.28 -0.09 0.00 0.02 0.00 0.00 34.50 30.00 3i55 s PRO 92 CO 0.09 -1.98 0.81 1.41 -0.33 0.00 0.00 177.00 177.01 3i55 s MET 93 N 5.98 4.25 -0.24 5.54 1.75 -1.26 -4.79 119.30 130.53 3i55 s MET 93 Ca 0.89 0.96 0.02 0.00 -1.25 0.00 0.00 55.69 56.30 3i55 s MET 93 Cb -0.27 -2.62 0.05 0.00 2.84 0.00 0.00 34.83 34.83 3i55 s MET 93 CO 0.34 0.23 -0.13 -0.65 -0.65 0.00 0.00 175.02 174.17 3i55 s GLN 94 N -2.47 2.51 -0.26 4.11 -0.21 -0.80 -4.96 119.66 117.58 3i55 s GLN 94 Ca 0.51 -1.16 -0.03 0.00 0.02 0.00 0.00 55.36 54.69 3i55 s GLN 94 Cb -0.14 -2.82 0.02 0.00 1.00 0.00 0.00 33.01 31.07 3i55 s GLN 94 CO 0.19 -0.45 -0.02 0.08 -2.12 0.00 0.00 175.29 172.97 3i55 s VAL 95 N 1.18 3.20 0.05 1.09 1.01 -1.26 -0.06 120.40 125.61 3i55 s VAL 95 Ca -0.04 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.06 3i55 s VAL 95 Cb -0.18 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 3i55 s VAL 95 CO -0.07 0.18 -0.08 0.20 0.00 0.00 0.00 175.10 175.33 3i55 s ASN 96 N 1.38 0.97 -0.15 3.32 -0.87 -0.24 -4.98 114.94 114.37 3i55 s ASN 96 Ca 0.01 -0.61 -0.15 0.00 -1.57 0.00 0.00 52.86 50.54 3i55 s ASN 96 Cb -0.17 0.04 -0.05 0.00 -0.02 0.00 0.00 41.25 41.05 3i55 s ASN 96 CO -0.02 -0.23 0.34 -0.69 -2.57 0.00 0.00 177.10 173.93 3i55 s VAL 97 N -1.66 5.27 -0.03 1.60 1.01 -1.26 0.50 120.40 125.83 3i55 s VAL 97 Ca -0.06 0.66 -0.01 0.00 0.00 0.00 0.00 61.98 62.56 3i55 s VAL 97 Cb -0.08 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.65 3i55 s VAL 97 CO -0.00 0.37 0.06 -1.61 0.00 0.00 0.00 175.10 173.92 3i55 s GLU 98 N 0.50 -0.02 7.78 2.72 2.02 -1.04 -4.94 118.70 125.72 3i55 s GLU 98 Ca 0.19 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.45 3i55 s GLU 98 Cb -0.14 -0.29 0.00 0.00 0.10 0.00 0.00 34.13 33.81 3i55 s GLU 98 CO 0.06 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.54 3i55 n GLY 99 N 4.46 3.41 2.06 -1.39 0.00 -1.26 -1.96 105.19 110.51 3i55 n GLY 99 Ca -0.22 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 3i55 n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i55 n ASP 100 N 6.61 5.67 -3.61 1.61 8.00 -1.26 -4.97 116.55 128.59 3i55 n ASP 100 Ca 0.00 -3.77 -0.03 0.00 0.71 0.00 0.00 54.79 51.70 3i55 n ASP 100 Cb 0.00 -0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 40.46 3i55 n ASP 100 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3i55 s GLU 101 N -3.65 0.55 0.33 -1.24 -1.05 -0.83 0.04 118.70 112.85 3i55 s GLU 101 Ca 0.55 1.09 -0.29 0.00 -0.15 0.00 0.00 54.97 56.17 3i55 s GLU 101 Cb 0.44 0.35 -0.10 0.00 -0.44 0.00 0.00 34.13 34.38 3i55 s GLU 101 CO 0.02 -0.14 1.36 0.54 0.95 0.00 0.00 175.26 177.99 3i55 s VAL 102 N 2.00 2.58 0.01 1.83 0.11 -1.08 -2.48 120.40 123.36 3i55 s VAL 102 Ca -0.08 0.57 0.07 0.00 -2.93 0.00 0.00 61.98 59.61 3i55 s VAL 102 Cb -0.07 -3.36 -0.02 0.00 -1.53 0.00 0.00 36.38 31.40 3i55 s VAL 102 CO -0.18 0.13 -0.21 -0.69 -3.33 0.00 0.00 175.10 170.82 3i55 s VAL 103 N -0.98 1.68 0.01 2.04 1.01 0.18 -2.56 120.40 121.78 3i55 s VAL 103 Ca 0.51 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.56 3i55 s VAL 103 Cb -0.41 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3i55 s VAL 103 CO 0.54 0.38 -0.24 -0.63 0.00 0.00 0.00 175.10 175.15 3i55 s ILE 104 N -0.60 2.26 0.16 2.22 1.01 0.15 -1.08 121.20 125.32 3i55 s ILE 104 Ca 0.08 -1.21 0.04 0.00 0.00 0.00 0.00 60.65 59.56 3i55 s ILE 104 Cb -0.08 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 3i55 s ILE 104 CO 0.00 0.46 -0.09 -1.61 0.00 0.00 0.00 174.94 173.70 3i55 s GLU 105 N -0.99 1.10 -0.75 2.79 2.02 0.92 -0.78 118.70 123.00 3i55 s GLU 105 Ca 0.11 -1.48 -0.02 0.00 0.02 0.00 0.00 54.97 53.60 3i55 s GLU 105 Cb -0.10 -0.62 0.01 0.00 0.10 0.00 0.00 34.13 33.52 3i55 s GLU 105 CO 0.01 0.05 0.08 -1.71 0.02 0.00 0.00 175.26 173.71 3i55 n ASN 106 N -0.23 -2.87 -4.71 -0.19 4.05 -1.24 -1.91 115.26 108.16 3i55 n ASN 106 Ca -0.09 0.19 -0.42 0.00 0.45 0.00 0.00 54.58 54.71 3i55 n ASN 106 Cb 0.61 -2.48 -0.03 0.00 1.23 0.00 0.00 39.78 39.11 3i55 n ASN 106 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 3i55 s PHE 107 N -2.46 3.09 -1.15 1.20 5.36 -1.26 -1.79 117.98 120.97 3i55 s PHE 107 Ca 0.07 0.80 0.00 0.00 -0.96 0.00 0.00 56.93 56.84 3i55 s PHE 107 Cb -0.04 -3.77 0.00 0.00 -0.34 0.00 0.00 43.02 38.87 3i55 s PHE 107 CO 0.08 -2.79 0.00 -0.11 -1.46 0.00 0.00 175.22 170.95 3i55 n LEU 108 N 4.22 -0.80 0.00 6.12 7.94 -1.26 -0.26 117.00 132.96 3i55 n LEU 108 Ca 0.13 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.29 3i55 n LEU 108 Cb 0.41 -1.74 0.00 0.00 0.53 0.00 0.00 43.42 42.63 3i55 n LEU 108 CO 0.60 -0.55 0.00 0.61 -1.11 0.00 0.00 177.39 176.93 3i55 n GLY 109 N -0.22 0.52 3.84 -3.96 0.00 -0.74 -5.01 105.19 99.62 3i55 n GLY 109 Ca -0.11 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 3i55 n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i55 s GLU 110 N -2.36 3.65 0.09 1.61 2.02 0.64 -4.96 118.70 119.40 3i55 s GLU 110 Ca 0.00 0.95 0.22 0.00 0.02 0.00 0.00 54.97 56.16 3i55 s GLU 110 Cb 0.00 -2.09 -0.13 0.00 0.10 0.00 0.00 34.13 32.01 3i55 s GLU 110 CO 0.00 -0.53 0.82 1.63 0.02 0.00 0.00 175.26 177.20 3i55 n LYS 111 N -2.11 0.59 -3.36 1.61 5.02 -1.26 -3.62 118.16 115.03 3i55 n LYS 111 Ca 0.07 -0.02 -0.39 0.00 -2.02 0.00 0.00 58.31 55.95 3i55 n LYS 111 Cb 0.54 -1.68 -0.09 0.00 -0.02 0.00 0.00 35.03 33.78 3i55 n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i55 s ALA 112 N -3.41 3.56 0.20 7.82 0.00 -1.26 -4.91 121.76 123.75 3i55 s ALA 112 Ca -0.03 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 50.80 3i55 s ALA 112 Cb 0.12 -2.76 -0.09 0.00 0.00 0.00 0.00 23.12 20.39 3i55 s ALA 112 CO 0.84 -0.73 1.34 -2.14 0.00 0.00 0.00 175.76 175.07 3i55 s PRO 113 N 2.12 4.36 -0.05 0.00 0.02 -1.26 -4.78 135.00 135.40 3i55 s PRO 113 Ca 0.16 2.10 -0.11 0.00 0.02 0.00 0.00 61.00 63.17 3i55 s PRO 113 Cb -0.16 -3.19 -0.05 0.00 0.02 0.00 0.00 34.50 31.13 3i55 s PRO 113 CO 0.10 -0.31 0.28 1.03 -0.33 0.00 0.00 177.00 177.78 3i55 s ARG 114 N 0.00 3.68 0.03 5.54 0.52 0.04 -4.92 118.95 123.85 3i55 s ARG 114 Ca 0.58 0.14 -0.13 0.00 -0.52 0.00 0.00 55.73 55.81 3i55 s ARG 114 Cb -0.37 -3.20 0.02 0.00 0.52 0.00 0.00 34.95 31.91 3i55 s ARG 114 CO 0.38 0.73 0.28 -0.98 0.02 0.00 0.00 175.30 175.73 3i55 s ARG 115 N -1.10 0.75 -0.04 3.54 1.70 -1.26 0.33 118.95 122.88 3i55 s ARG 115 Ca 0.20 -0.47 -0.03 0.00 -0.47 0.00 0.00 55.73 54.96 3i55 s ARG 115 Cb -0.14 0.32 0.02 0.00 -0.57 0.00 0.00 34.95 34.58 3i55 s ARG 115 CO 0.09 -0.23 0.10 -0.08 -1.08 0.00 0.00 175.30 174.10 3i55 s THR 116 N -2.30 -0.01 0.35 4.99 -1.32 -1.06 -5.05 115.64 111.24 3i55 s THR 116 Ca -0.07 0.05 -0.25 0.00 -1.21 0.00 0.00 61.69 60.21 3i55 s THR 116 Cb -0.02 -0.16 -0.10 0.00 -1.51 0.00 0.00 72.50 70.71 3i55 s THR 116 CO -0.02 0.02 0.95 -0.89 -2.21 0.00 0.00 174.62 172.47 3i55 s THR 117 N 0.32 4.24 -0.12 5.08 2.01 -1.26 -2.63 115.64 123.28 3i55 s THR 117 Ca -0.02 1.73 -0.25 0.00 0.31 0.00 0.00 61.69 63.45 3i55 s THR 117 Cb -0.03 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 3i55 s THR 117 CO -0.01 0.02 0.82 -0.63 -0.69 0.00 0.00 174.62 174.12 3i55 s ILE 118 N -1.76 4.93 -0.18 1.82 1.01 0.11 -4.93 121.20 122.19 3i55 s ILE 118 Ca 0.53 1.64 -0.29 0.00 0.00 0.00 0.00 60.65 62.53 3i55 s ILE 118 Cb -0.16 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.14 3i55 s ILE 118 CO 0.21 0.11 1.53 -1.00 0.00 0.00 0.00 174.94 175.78 3i55 s HIS 119 N 1.62 2.28 0.00 3.97 3.76 -1.26 -4.85 115.29 120.80 3i55 s HIS 119 Ca 0.40 0.59 0.00 0.00 -0.15 0.00 0.00 55.06 55.90 3i55 s HIS 119 Cb -0.17 -3.87 0.00 0.00 1.11 0.00 0.00 32.58 29.64 3i55 s HIS 119 CO 0.16 -2.78 0.00 0.41 -0.85 0.00 0.00 174.74 171.68 3i55 n GLY 120 N 4.31 2.93 0.42 -2.22 0.00 -1.26 -2.82 105.19 106.56 3i55 n GLY 120 Ca 0.17 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 46.00 3i55 n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i55 n ASP 121 N 2.57 1.37 -4.52 1.61 8.00 -1.26 -4.95 116.55 119.37 3i55 n ASP 121 Ca 0.00 -1.34 -0.50 0.00 0.71 0.00 0.00 54.79 53.66 3i55 n ASP 121 Cb 0.00 0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.09 3i55 n ASP 121 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3i55 n THR 122 N -0.04 1.19 -4.13 -3.53 -1.04 -1.13 -4.90 114.28 100.70 3i55 n THR 122 Ca 0.17 -0.30 -0.35 0.00 -2.04 0.00 0.00 64.05 61.54 3i55 n THR 122 Cb 0.35 -0.49 -0.13 0.00 -1.82 0.00 0.00 70.33 68.24 3i55 n THR 122 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3i55 s ASP 123 N -0.35 4.57 -0.32 8.00 1.01 0.92 -4.88 116.67 125.62 3i55 s ASP 123 Ca 0.72 -0.27 -0.07 0.00 0.71 0.00 0.00 52.55 53.63 3i55 s ASP 123 Cb -0.92 -1.77 0.02 0.00 1.01 0.00 0.00 42.92 41.26 3i55 s ASP 123 CO 0.55 0.06 0.11 -0.69 0.21 0.00 0.00 175.17 175.41 3i55 s VAL 124 N 1.02 4.03 -0.23 -1.27 1.01 -1.26 -1.64 120.40 122.06 3i55 s VAL 124 Ca 0.01 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 3i55 s VAL 124 Cb -0.15 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 3i55 s VAL 124 CO 0.01 -0.06 -0.02 -1.61 0.00 0.00 0.00 175.10 173.42 3i55 s GLU 125 N 1.48 3.42 -0.09 2.72 2.02 -0.95 -4.94 118.70 122.36 3i55 s GLU 125 Ca 0.01 -0.60 -0.12 0.00 0.02 0.00 0.00 54.97 54.28 3i55 s GLU 125 Cb -0.18 -3.07 -0.05 0.00 0.10 0.00 0.00 34.13 30.93 3i55 s GLU 125 CO 0.03 -0.20 0.28 -1.50 0.02 0.00 0.00 175.26 173.89 3i55 s ILE 126 N 1.50 5.27 -0.33 -1.63 2.07 -1.26 -1.36 121.20 125.47 3i55 s ILE 126 Ca 0.06 0.54 0.02 0.00 -1.41 0.00 0.00 60.65 59.85 3i55 s ILE 126 Cb -0.14 -3.58 0.15 0.00 0.13 0.00 0.00 42.46 39.01 3i55 s ILE 126 CO -0.02 0.54 0.35 -0.62 -1.91 0.00 0.00 174.94 173.28 3i55 s ASP 127 N -0.61 1.22 1.05 4.50 -1.08 0.53 -5.02 116.67 117.26 3i55 s ASP 127 Ca 0.19 -1.09 0.00 0.00 -0.52 0.00 0.00 52.55 51.12 3i55 s ASP 127 Cb -0.14 0.63 0.00 0.00 -1.46 0.00 0.00 42.92 41.95 3i55 s ASP 127 CO 0.07 -0.32 0.00 0.61 0.52 0.00 0.00 175.17 176.05 3i55 n GLY 128 N 4.80 2.97 0.43 2.66 0.00 -1.26 -1.85 105.19 112.94 3i55 n GLY 128 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3i55 n GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i55 n GLU 129 N 13.92 0.54 -4.04 1.61 -0.58 -1.26 -4.72 120.64 126.10 3i55 n GLU 129 Ca 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 3i55 n GLU 129 Cb 0.00 -1.23 -0.14 0.00 -0.57 0.00 0.00 31.44 29.50 3i55 n GLU 129 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3i55 s GLU 130 N -1.14 0.29 0.02 3.49 2.02 -0.77 -1.72 118.70 120.90 3i55 s GLU 130 Ca 0.00 -0.23 0.07 0.00 0.02 0.00 0.00 54.97 54.83 3i55 s GLU 130 Cb 0.00 -0.23 -0.02 0.00 0.10 0.00 0.00 34.13 33.98 3i55 s GLU 130 CO 0.00 0.06 -0.21 -0.51 0.02 0.00 0.00 175.26 174.62 3i55 s LEU 131 N -0.36 2.12 -0.24 1.80 1.43 0.31 -0.35 118.68 123.40 3i55 s LEU 131 Ca -0.01 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.60 3i55 s LEU 131 Cb -0.03 -1.00 0.08 0.00 0.03 0.00 0.00 46.19 45.26 3i55 s LEU 131 CO -0.00 0.19 0.06 0.28 0.23 0.00 0.00 176.35 177.11 3i55 s THR 132 N -0.67 0.59 0.19 5.49 -1.32 -0.46 0.80 115.64 120.25 3i55 s THR 132 Ca 0.08 -0.84 -0.19 0.00 -1.21 0.00 0.00 61.69 59.53 3i55 s THR 132 Cb -0.08 -1.23 -0.08 0.00 -1.51 0.00 0.00 72.50 69.60 3i55 s THR 132 CO 0.01 -0.39 0.68 -0.69 -2.21 0.00 0.00 174.62 172.01 3i55 s VAL 133 N 1.80 4.63 -0.04 5.08 1.01 0.30 -2.23 120.40 130.95 3i55 s VAL 133 Ca 0.03 1.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 3i55 s VAL 133 Cb -0.17 -3.86 0.08 0.00 0.00 0.00 0.00 36.38 32.44 3i55 s VAL 133 CO -0.16 0.26 0.75 -0.94 0.00 0.00 0.00 175.10 175.02 3i55 s SER 134 N -1.58 -0.56 0.00 3.32 1.04 -0.65 -0.97 113.70 114.29 3i55 s SER 134 Ca 0.40 0.48 0.00 0.00 0.48 0.00 0.00 55.95 57.31 3i55 s SER 134 Cb -0.17 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3i55 s SER 134 CO 0.21 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.43 3i55 n GLY 135 N 0.58 0.16 0.08 7.32 0.00 0.03 -0.05 105.19 113.31 3i55 n GLY 135 Ca -0.16 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 3i55 n GLY 135 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i55 h PRO 136 N 0.00 0.04 -4.78 1.61 0.13 -1.82 0.34 132.00 127.52 3i55 h PRO 136 Ca 0.00 -0.07 -0.72 0.00 -0.87 0.00 0.00 66.00 64.34 3i55 h PRO 136 Cb 0.00 0.03 -0.19 0.00 0.13 0.00 0.00 31.00 30.97 3i55 h PRO 136 CO 0.00 0.77 0.86 0.34 -0.23 0.00 0.00 178.00 179.74 3i55 s ASP 137 N -6.45 6.77 0.52 1.44 2.15 -1.26 -4.29 116.67 115.55 3i55 s ASP 137 Ca -0.04 -2.39 0.37 0.00 0.43 0.00 0.00 52.55 50.92 3i55 s ASP 137 Cb 0.08 -2.37 1.54 0.00 -0.30 0.00 0.00 42.92 41.87 3i55 s ASP 137 CO 0.83 -0.91 1.73 -0.29 -0.17 0.00 0.00 175.17 176.36 3i55 h ILE 138 N 5.37 0.30 0.12 4.11 2.10 -1.92 0.32 117.51 127.90 3i55 h ILE 138 Ca 0.19 -0.02 0.02 0.00 1.08 0.00 0.00 64.86 66.13 3i55 h ILE 138 Cb 0.99 0.24 -0.03 0.00 -1.09 0.00 0.00 36.82 36.93 3i55 h ILE 138 CO 1.10 0.01 -0.23 -0.33 -1.08 0.00 0.00 178.15 177.62 3i55 h GLU 139 N 0.05 -0.41 0.17 2.19 4.39 -1.98 0.29 114.58 119.28 3i55 h GLU 139 Ca 0.68 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.40 3i55 h GLU 139 Cb 2.57 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 31.31 3i55 h GLU 139 CO -0.08 -0.27 -0.08 0.00 -1.16 0.00 0.00 179.01 177.42 3i55 h ALA 140 N 0.35 -0.22 -0.01 3.43 0.00 -0.71 -2.80 119.26 119.30 3i55 h ALA 140 Ca 0.03 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3i55 h ALA 140 Cb 0.44 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3i55 h ALA 140 CO -0.12 -0.52 -0.40 0.28 0.00 0.00 0.00 179.25 178.49 3i55 h VAL 141 N -0.44 0.00 -0.73 0.00 2.07 -1.15 0.41 116.25 116.41 3i55 h VAL 141 Ca -0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.66 3i55 h VAL 141 Cb 0.34 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.00 3i55 h VAL 141 CO 0.04 0.00 0.14 1.23 0.02 0.00 0.00 177.57 179.00 3i55 h GLY 142 N -0.50 0.97 0.71 2.17 0.00 -0.49 0.37 103.07 106.31 3i55 h GLY 142 Ca 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3i55 h GLY 142 CO -0.27 -0.22 -0.10 1.46 0.00 0.00 0.00 176.54 177.41 3i55 h GLN 143 N 0.23 0.28 -0.92 4.80 1.08 -1.17 -0.94 115.11 118.47 3i55 h GLN 143 Ca 0.41 -0.14 0.14 0.00 -1.45 0.00 0.00 58.65 57.61 3i55 h GLN 143 Cb 0.71 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.05 3i55 h GLN 143 CO -0.54 0.66 0.54 1.15 -0.95 0.00 0.00 178.83 179.69 3i55 h THR 144 N -0.09 0.81 0.62 -0.54 2.02 0.73 1.10 112.91 117.56 3i55 h THR 144 Ca 0.02 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 3i55 h THR 144 Cb 0.60 -0.05 0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3i55 h THR 144 CO 0.03 0.15 -0.30 0.00 0.37 0.00 0.00 175.52 175.76 3i55 h ALA 145 N 1.55 -0.83 -0.49 6.16 0.00 -0.86 -2.29 119.26 122.50 3i55 h ALA 145 Ca 0.49 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.29 3i55 h ALA 145 Cb 0.60 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 3i55 h ALA 145 CO -0.32 -0.84 -0.22 0.00 0.00 0.00 0.00 179.25 177.87 3i55 h ALA 146 N -0.89 0.13 -0.79 0.00 0.00 -0.17 0.27 119.26 117.82 3i55 h ALA 146 Ca -0.08 0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.18 3i55 h ALA 146 Cb 0.68 0.55 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 3i55 h ALA 146 CO 0.14 -0.56 0.01 -0.44 0.00 0.00 0.00 179.25 178.40 3i55 h ASP 147 N -0.11 -0.37 0.21 0.00 5.19 0.13 0.27 116.42 121.74 3i55 h ASP 147 Ca 0.23 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.85 3i55 h ASP 147 Cb 0.47 0.36 -0.02 0.00 0.18 0.00 0.00 39.33 40.32 3i55 h ASP 147 CO -0.56 -0.20 -0.21 0.40 -3.12 0.00 0.00 179.24 175.55 3i55 h ILE 148 N 0.09 0.53 -0.12 0.35 2.04 0.11 0.32 117.51 120.83 3i55 h ILE 148 Ca 0.44 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.33 3i55 h ILE 148 Cb 0.78 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3i55 h ILE 148 CO -0.70 0.00 -0.07 -0.08 0.00 0.00 0.00 178.15 177.30 3i55 h GLU 149 N -0.46 -0.06 -0.66 2.37 4.81 -0.22 -1.64 114.58 118.73 3i55 h GLU 149 Ca 0.00 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.36 3i55 h GLU 149 Cb 0.43 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.73 3i55 h GLU 149 CO -0.06 -0.04 0.16 1.96 -0.73 0.00 0.00 179.01 180.31 3i55 h GLN 150 N -0.06 0.28 0.00 1.92 1.08 -0.24 -1.99 115.11 116.10 3i55 h GLN 150 Ca 0.07 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3i55 h GLN 150 Cb 0.17 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 3i55 h GLN 150 CO -0.16 0.19 0.71 1.25 -0.95 0.00 0.00 178.83 179.86 3i55 h LEU 151 N 0.29 0.00 -2.97 1.46 5.85 0.65 0.98 115.31 121.57 3i55 h LEU 151 Ca 0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3i55 h LEU 151 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3i55 h LEU 151 CO -0.43 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 178.02 3i55 n THR 152 N -2.12 1.26 -1.65 1.05 -2.24 -0.75 -4.94 114.28 104.89 3i55 n THR 152 Ca -0.00 -1.19 -0.40 0.00 -2.27 0.00 0.00 64.05 60.19 3i55 n THR 152 Cb 0.71 0.34 0.03 0.00 -2.10 0.00 0.00 70.33 69.31 3i55 n THR 152 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3i55 n ARG 153 N 0.15 1.38 -3.64 -0.78 0.63 0.34 -4.90 116.66 109.83 3i55 n ARG 153 Ca 0.12 0.50 -0.12 0.00 -0.92 0.00 0.00 57.85 57.43 3i55 n ARG 153 Cb 0.49 -2.21 -0.12 0.00 0.45 0.00 0.00 32.46 31.07 3i55 n ARG 153 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 3i55 s ILE 154 N -1.33 -0.48 -0.66 5.15 2.07 -1.26 -5.03 121.20 119.66 3i55 s ILE 154 Ca 0.67 0.23 0.06 0.00 -1.41 0.00 0.00 60.65 60.20 3i55 s ILE 154 Cb -0.49 -0.52 0.13 0.00 0.13 0.00 0.00 42.46 41.71 3i55 s ILE 154 CO 0.53 0.09 0.97 -0.46 -1.91 0.00 0.00 174.94 174.16 3i55 n ASN 155 N 5.36 2.15 -0.00 4.50 6.94 -1.26 -4.58 115.26 128.36 3i55 n ASN 155 Ca -0.07 -1.71 0.11 0.00 -0.02 0.00 0.00 54.58 52.89 3i55 n ASN 155 Cb 0.50 -0.08 -0.14 0.00 -2.36 0.00 0.00 39.78 37.69 3i55 n ASN 155 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3i55 n ASP 156 N 0.21 0.28 -4.00 0.53 5.75 -1.26 -4.96 116.55 113.10 3i55 n ASP 156 Ca 0.06 -0.20 -0.18 0.00 -0.01 0.00 0.00 54.79 54.46 3i55 n ASP 156 Cb 0.28 1.65 -0.15 0.00 -1.03 0.00 0.00 41.12 41.87 3i55 n ASP 156 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3i55 s LYS 157 N -3.39 0.68 -0.56 0.11 1.02 -1.26 -5.08 119.74 111.25 3i55 s LYS 157 Ca -0.04 -0.28 -0.39 0.00 0.02 0.00 0.00 55.97 55.29 3i55 s LYS 157 Cb 0.14 -0.65 -0.17 0.00 -0.52 0.00 0.00 37.83 36.62 3i55 s LYS 157 CO 0.89 0.16 2.27 -3.47 -0.92 0.00 0.00 175.35 174.28 3i55 n ASP 158 N 2.96 1.03 -0.33 2.83 2.03 -1.26 -4.81 116.55 119.00 3i55 n ASP 158 Ca -0.14 0.47 0.04 0.00 0.52 0.00 0.00 54.79 55.68 3i55 n ASP 158 Cb 0.57 -1.01 0.22 0.00 -0.72 0.00 0.00 41.12 40.17 3i55 n ASP 158 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3i55 h VAL 159 N 7.25 1.06 -1.10 5.18 2.07 -1.88 -1.84 116.25 127.00 3i55 h VAL 159 Ca -0.13 -0.37 0.33 0.00 0.82 0.00 0.00 66.70 67.35 3i55 h VAL 159 Cb 1.37 -0.11 -0.13 0.00 -1.52 0.00 0.00 31.29 30.90 3i55 h VAL 159 CO 1.14 0.20 0.68 0.03 0.02 0.00 0.00 177.57 179.63 3i55 h ARG 160 N 1.08 0.28 0.00 1.57 3.08 -2.01 -2.31 114.38 116.07 3i55 h ARG 160 Ca 0.41 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 60.26 3i55 h ARG 160 Cb 0.21 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3i55 h ARG 160 CO -0.16 0.19 -1.11 0.28 -1.07 0.00 0.00 179.97 178.10 3i55 h VAL 161 N 0.29 0.74 -2.65 2.04 2.07 -1.75 -3.43 116.25 113.56 3i55 h VAL 161 Ca 0.71 -1.95 -0.67 0.00 0.82 0.00 0.00 66.70 65.62 3i55 h VAL 161 Cb 1.85 1.79 -0.17 0.00 -1.52 0.00 0.00 31.29 33.24 3i55 h VAL 161 CO -0.46 0.25 0.54 -0.36 0.02 0.00 0.00 177.57 177.56 3i55 s PHE 162 N -2.33 2.91 -1.10 1.57 0.40 -0.76 -4.83 117.98 113.83 3i55 s PHE 162 Ca -0.26 -0.94 0.11 0.00 -0.60 0.00 0.00 56.93 55.24 3i55 s PHE 162 Cb 0.05 -4.22 0.20 0.00 0.51 0.00 0.00 43.02 39.56 3i55 s PHE 162 CO 0.52 -1.51 1.06 1.04 0.70 0.00 0.00 175.22 177.03 3i55 n GLN 163 N 6.97 1.79 -1.10 0.44 6.02 -1.22 -4.44 117.38 125.83 3i55 n GLN 163 Ca 0.04 -1.63 -0.35 0.00 -0.01 0.00 0.00 57.00 55.06 3i55 n GLN 163 Cb 0.46 -1.24 0.09 0.00 1.02 0.00 0.00 30.24 30.57 3i55 n GLN 163 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3i55 n ASP 164 N 0.54 -1.35 0.00 1.08 9.92 -1.26 -4.84 116.55 120.63 3i55 n ASP 164 Ca 0.09 0.50 0.00 0.00 -0.53 0.00 0.00 54.79 54.85 3i55 n ASP 164 Cb 0.35 -1.23 0.00 0.00 -0.64 0.00 0.00 41.12 39.60 3i55 n ASP 164 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i55 n GLY 165 N 1.54 3.66 3.82 0.44 0.00 0.27 -4.98 105.19 109.94 3i55 n GLY 165 Ca 0.09 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 3i55 n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i55 s VAL 166 N -2.51 4.12 0.01 1.61 1.01 -1.26 -2.84 120.40 120.55 3i55 s VAL 166 Ca 0.00 1.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.98 3i55 s VAL 166 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 3i55 s VAL 166 CO 0.00 -0.55 0.08 -0.31 0.00 0.00 0.00 175.10 174.33 3i55 s TYR 167 N -2.47 0.13 0.14 5.22 1.51 -0.89 -4.59 117.35 116.40 3i55 s TYR 167 Ca 0.62 -0.31 -0.30 0.00 -1.01 0.00 0.00 57.07 56.07 3i55 s TYR 167 Cb -0.13 -0.10 -0.07 0.00 -0.11 0.00 0.00 41.96 41.54 3i55 s TYR 167 CO 0.32 -0.27 1.19 0.42 -1.11 0.00 0.00 175.55 176.10 3i55 s ILE 168 N -1.59 3.76 -0.15 2.71 -1.09 -1.26 -1.91 121.20 121.67 3i55 s ILE 168 Ca -0.14 1.39 -0.02 0.00 -2.23 0.00 0.00 60.65 59.65 3i55 s ILE 168 Cb -0.07 -3.89 -0.09 0.00 -1.58 0.00 0.00 42.46 36.83 3i55 s ILE 168 CO -0.00 0.18 -0.16 0.41 -1.23 0.00 0.00 174.94 174.14 3i55 n THR 169 N 3.07 0.87 -4.47 2.92 -1.04 0.73 -4.89 114.28 111.47 3i55 n THR 169 Ca 0.06 -0.29 -0.21 0.00 -2.04 0.00 0.00 64.05 61.57 3i55 n THR 169 Cb 0.45 -1.29 -0.15 0.00 -1.82 0.00 0.00 70.33 67.52 3i55 n THR 169 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3i55 s ARG 170 N -2.30 1.05 -0.08 -2.82 0.52 -0.84 -4.93 118.95 109.56 3i55 s ARG 170 Ca -0.21 -0.36 0.05 0.00 -0.52 0.00 0.00 55.73 54.68 3i55 s ARG 170 Cb 0.07 -0.97 -0.00 0.00 0.52 0.00 0.00 34.95 34.56 3i55 s ARG 170 CO 0.32 0.16 -0.24 0.15 0.02 0.00 0.00 175.30 175.72 3i55 s LYS 171 N 0.07 2.71 0.00 3.54 1.02 -1.26 -1.34 119.74 124.48 3i55 s LYS 171 Ca -0.01 -0.86 0.05 0.00 0.02 0.00 0.00 55.97 55.17 3i55 s LYS 171 Cb -0.08 -2.16 0.30 0.00 -0.52 0.00 0.00 37.83 35.37 3i55 s LYS 171 CO 0.00 0.26 0.77 -0.35 -0.92 0.00 0.00 175.35 175.12