#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i6j s TYR 2 N 0.00 0.80 -0.14 1.12 1.13 -0.32 -5.00 117.35 114.93 2i6j s TYR 2 Ca 0.00 -0.54 -0.06 0.00 -1.41 0.00 0.00 57.07 55.06 2i6j s TYR 2 Cb 0.00 -0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 40.36 2i6j s TYR 2 CO 0.00 -0.06 0.07 -1.58 -2.51 0.00 0.00 175.55 171.46 2i6j s TRP 3 N -1.61 3.32 -0.12 -3.49 0.52 -1.26 -0.75 118.94 115.54 2i6j s TRP 3 Ca -0.06 0.22 -0.01 0.00 0.02 0.00 0.00 56.10 56.27 2i6j s TRP 3 Cb -0.08 -1.97 -0.25 0.00 -1.15 0.00 0.00 33.47 30.02 2i6j s TRP 3 CO 0.00 0.38 0.35 0.28 0.02 0.00 0.00 176.95 177.99 2i6j n VAL 4 N 2.78 1.71 -3.77 4.03 0.31 -0.15 -4.72 118.33 118.52 2i6j n VAL 4 Ca -0.18 -0.68 -0.28 0.00 -0.01 0.00 0.00 64.34 63.19 2i6j n VAL 4 Cb 0.53 -1.53 -0.16 0.00 -0.91 0.00 0.00 33.84 31.77 2i6j n VAL 4 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2i6j s ARG 5 N -2.56 0.81 -0.39 5.55 1.81 -0.86 -5.02 118.95 118.29 2i6j s ARG 5 Ca -0.20 -0.58 -0.28 0.00 -1.72 0.00 0.00 55.73 52.95 2i6j s ARG 5 Cb 0.07 -2.17 -0.13 0.00 -0.45 0.00 0.00 34.95 32.27 2i6j s ARG 5 CO 0.76 -0.67 1.48 -2.13 -0.68 0.00 0.00 175.30 174.06 2i6j n ARG 6 N 4.97 0.00 -0.73 3.54 3.00 -1.26 -0.45 116.66 125.73 2i6j n ARG 6 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 2i6j n ARG 6 Cb 0.46 -0.99 0.00 0.00 0.00 0.00 0.00 32.46 31.93 2i6j n ARG 6 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2i6j n LYS 7 N 5.08 -0.21 -0.11 -0.14 4.76 -1.26 -4.78 118.16 121.50 2i6j n LYS 7 Ca 0.38 0.05 -0.18 0.00 -2.87 0.00 0.00 58.31 55.69 2i6j n LYS 7 Cb -0.02 -3.88 -0.09 0.00 -1.84 0.00 0.00 35.03 29.20 2i6j n LYS 7 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2i6j n THR 8 N -2.06 1.23 -3.68 -0.18 -2.24 0.40 -0.41 114.28 107.34 2i6j n THR 8 Ca 0.00 -0.41 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 2i6j n THR 8 Cb 0.05 -1.45 -0.09 0.00 -2.10 0.00 0.00 70.33 66.74 2i6j n THR 8 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2i6j s ILE 9 N -2.42 -0.01 0.32 2.28 2.07 -0.91 -1.46 121.20 121.07 2i6j s ILE 9 Ca -0.30 0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 58.97 2i6j s ILE 9 Cb 0.09 -0.77 0.01 0.00 0.13 0.00 0.00 42.46 41.92 2i6j s ILE 9 CO 0.46 0.01 0.43 0.61 -1.91 0.00 0.00 174.94 174.54 2i6j n GLY 10 N 3.75 2.24 3.29 1.50 0.00 -0.02 -0.98 105.19 114.98 2i6j n GLY 10 Ca -0.19 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.07 2i6j n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i6j s GLY 11 N -2.97 1.67 0.13 -0.02 0.00 0.07 -1.02 107.32 105.18 2i6j s GLY 11 Ca 0.27 -1.83 -0.24 0.00 0.00 0.00 0.00 44.72 42.92 2i6j s GLY 11 CO 0.19 -1.56 1.11 -1.35 0.00 0.00 0.00 173.10 171.49 2i6j s SER 12 N -3.28 0.01 0.04 1.64 1.04 -0.76 -1.18 113.70 111.21 2i6j s SER 12 Ca 0.38 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 56.26 2i6j s SER 12 Cb 0.08 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.60 2i6j s SER 12 CO 0.13 -0.80 0.04 0.61 0.98 0.00 0.00 173.24 174.21 2i6j n GLY 13 N -0.76 1.91 3.70 7.32 0.00 -1.26 -2.89 105.19 113.21 2i6j n GLY 13 Ca -0.01 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 2i6j n GLY 13 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2i6j s LEU 14 N 0.00 4.31 0.47 0.99 2.96 0.38 -4.66 118.68 123.12 2i6j s LEU 14 Ca 0.03 1.80 -0.22 0.00 -0.22 0.00 0.00 54.13 55.52 2i6j s LEU 14 Cb -0.00 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.05 2i6j s LEU 14 CO 0.02 -0.49 1.10 -2.16 -1.32 0.00 0.00 176.35 173.50 2i6j s PRO 15 N 1.73 3.78 -0.06 0.98 0.04 -1.26 -4.96 135.00 135.25 2i6j s PRO 15 Ca 0.55 1.59 0.17 0.00 0.04 0.00 0.00 61.00 63.34 2i6j s PRO 15 Cb -0.24 -2.29 -0.22 0.00 0.04 0.00 0.00 34.50 31.79 2i6j s PRO 15 CO 0.24 -0.49 0.51 0.66 0.04 0.00 0.00 177.00 177.95 2i6j n TYR 16 N -0.67 0.58 -4.27 0.56 4.01 -1.26 -4.93 117.16 111.19 2i6j n TYR 16 Ca 0.08 0.20 -0.14 0.00 -0.16 0.00 0.00 57.90 57.88 2i6j n TYR 16 Cb 0.50 -1.03 -0.10 0.00 -0.31 0.00 0.00 39.34 38.40 2i6j n TYR 16 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2i6j s THR 17 N -2.75 0.39 0.23 -0.72 -4.23 -1.26 -4.97 115.64 102.32 2i6j s THR 17 Ca -0.06 -1.99 0.15 0.00 -1.18 0.00 0.00 61.69 58.61 2i6j s THR 17 Cb 0.08 -2.51 0.07 0.00 1.34 0.00 0.00 72.50 71.48 2i6j s THR 17 CO 0.83 -0.08 1.70 -0.08 -0.54 0.00 0.00 174.62 176.45 2i6j h GLU 18 N 2.51 0.00 -0.43 3.99 4.81 -2.00 -2.71 114.58 120.75 2i6j h GLU 18 Ca -0.37 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.81 2i6j h GLU 18 Cb 1.24 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 2i6j h GLU 18 CO 0.59 0.46 0.06 -0.91 -0.73 0.00 0.00 179.01 178.48 2i6j h ASN 19 N 0.00 0.62 0.31 1.04 2.35 -1.99 -0.80 115.58 117.12 2i6j h ASN 19 Ca -0.00 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 2i6j h ASN 19 Cb 0.95 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 2i6j h ASN 19 CO 0.06 0.65 -0.39 -0.33 -1.65 0.00 0.00 177.43 175.77 2i6j h GLU 20 N 0.64 0.11 -0.15 0.81 5.08 -1.90 -1.24 114.58 117.92 2i6j h GLU 20 Ca 0.14 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 2i6j h GLU 20 Cb 0.31 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2i6j h GLU 20 CO 0.00 0.48 -0.54 0.82 -1.00 0.00 0.00 179.01 178.77 2i6j h ILE 21 N 0.09 1.33 0.00 3.13 2.04 -1.20 -2.42 117.51 120.49 2i6j h ILE 21 Ca 0.01 -1.81 -0.07 0.00 1.00 0.00 0.00 64.86 63.99 2i6j h ILE 21 Cb 0.73 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 2i6j h ILE 21 CO 0.05 0.55 -0.35 -0.07 0.00 0.00 0.00 178.15 178.34 2i6j h LEU 22 N 0.35 0.00 -0.78 1.44 3.38 -0.57 -2.04 115.31 117.08 2i6j h LEU 22 Ca 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2i6j h LEU 22 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2i6j h LEU 22 CO 0.10 0.35 -0.01 -0.33 0.09 0.00 0.00 178.44 178.64 2i6j h GLU 23 N 0.00 0.91 -0.50 1.13 5.08 -0.77 -1.10 114.58 119.33 2i6j h GLU 23 Ca -0.00 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 2i6j h GLU 23 Cb 0.74 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2i6j h GLU 23 CO 0.05 0.91 0.19 -1.49 -1.00 0.00 0.00 179.01 177.67 2i6j h TRP 24 N 0.84 0.77 -0.57 4.33 6.55 -1.01 -1.72 115.95 125.13 2i6j h TRP 24 Ca 0.15 -0.06 0.01 0.00 0.95 0.00 0.00 58.89 59.94 2i6j h TRP 24 Cb 0.51 -0.23 -0.03 0.00 -0.86 0.00 0.00 29.16 28.56 2i6j h TRP 24 CO 0.03 0.65 0.37 -0.09 -1.05 0.00 0.00 178.44 178.35 2i6j h ARG 25 N 0.67 0.74 0.00 0.49 2.43 -1.04 -1.26 114.38 116.40 2i6j h ARG 25 Ca 0.17 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2i6j h ARG 25 Cb 0.21 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2i6j h ARG 25 CO -0.01 0.49 -0.24 -0.22 -1.51 0.00 0.00 179.97 178.48 2i6j h LYS 26 N 0.76 0.00 0.00 0.20 3.64 -0.98 -1.99 116.57 118.20 2i6j h LYS 26 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2i6j h LYS 26 Cb -0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2i6j h LYS 26 CO -0.05 0.24 0.00 0.93 -2.27 0.00 0.00 179.45 178.29 2i6j h GLU 27 N 0.00 0.00 0.00 1.90 4.39 -0.36 -3.47 114.58 117.04 2i6j h GLU 27 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2i6j h GLU 27 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2i6j h GLU 27 CO 0.03 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.29 2i6j n GLY 28 N 0.73 1.16 3.75 -3.84 0.00 -0.75 -4.92 105.19 101.33 2i6j n GLY 28 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2i6j n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i6j s VAL 29 N -2.00 3.40 0.00 1.61 1.01 -0.57 -4.10 120.40 119.75 2i6j s VAL 29 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.26 2i6j s VAL 29 Cb 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2i6j s VAL 29 CO 0.00 0.25 0.00 0.29 0.00 0.00 0.00 175.10 175.64 2i6j n LYS 30 N 1.83 2.67 -3.99 2.72 5.02 0.38 -4.43 118.16 122.36 2i6j n LYS 30 Ca 0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.18 2i6j n LYS 30 Cb 0.44 -0.73 -0.14 0.00 -0.02 0.00 0.00 35.03 34.58 2i6j n LYS 30 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2i6j s ARG 31 N -1.14 0.20 -0.10 1.97 0.52 -0.89 -2.70 118.95 116.82 2i6j s ARG 31 Ca 0.00 -0.17 0.01 0.00 -0.52 0.00 0.00 55.73 55.05 2i6j s ARG 31 Cb 0.00 -0.14 0.02 0.00 0.52 0.00 0.00 34.95 35.35 2i6j s ARG 31 CO 0.00 0.03 -0.11 0.08 0.02 0.00 0.00 175.30 175.32 2i6j s VAL 32 N -0.28 1.20 -0.37 3.52 1.01 -0.08 -1.12 120.40 124.28 2i6j s VAL 32 Ca -0.02 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 2i6j s VAL 32 Cb -0.02 -1.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 2i6j s VAL 32 CO -0.00 0.38 0.36 -0.22 0.00 0.00 0.00 175.10 175.62 2i6j s LEU 33 N 1.12 4.61 -0.37 3.92 2.96 0.31 -1.34 118.68 129.89 2i6j s LEU 33 Ca -0.05 -0.42 -0.17 0.00 -0.22 0.00 0.00 54.13 53.26 2i6j s LEU 33 Cb -0.14 -2.31 0.00 0.00 0.50 0.00 0.00 46.19 44.23 2i6j s LEU 33 CO -0.02 -0.40 0.47 -0.69 -1.32 0.00 0.00 176.35 174.40 2i6j s VAL 34 N 1.98 5.05 -0.08 1.68 1.01 0.59 -1.73 120.40 128.90 2i6j s VAL 34 Ca 0.11 0.14 0.22 0.00 0.00 0.00 0.00 61.98 62.45 2i6j s VAL 34 Cb -0.17 -3.96 -0.27 0.00 0.00 0.00 0.00 36.38 31.98 2i6j s VAL 34 CO 0.12 -0.25 0.55 0.18 0.00 0.00 0.00 175.10 175.70 2i6j n LEU 35 N 5.67 0.16 -4.77 3.92 4.77 -0.31 -1.04 117.00 125.41 2i6j n LEU 35 Ca -0.06 0.06 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 2i6j n LEU 35 Cb 0.49 0.02 0.09 0.00 -2.33 0.00 0.00 43.42 41.69 2i6j n LEU 35 CO 0.45 0.00 0.70 -2.16 -1.33 0.00 0.00 177.39 175.05 2i6j s PRO 36 N -3.42 2.19 0.71 3.23 0.04 -1.26 -0.92 135.00 135.58 2i6j s PRO 36 Ca -0.07 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 61.95 2i6j s PRO 36 Cb 0.13 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.79 2i6j s PRO 36 CO 0.88 -1.67 1.07 -1.21 0.04 0.00 0.00 177.00 176.12 2i6j s GLU 37 N -4.93 2.80 0.21 4.56 2.02 -1.26 -4.48 118.70 117.62 2i6j s GLU 37 Ca 0.61 0.81 -0.15 0.00 0.02 0.00 0.00 54.97 56.26 2i6j s GLU 37 Cb -0.17 -1.99 0.23 0.00 0.10 0.00 0.00 34.13 32.30 2i6j s GLU 37 CO 0.56 -1.16 1.60 -0.44 0.02 0.00 0.00 175.26 175.85 2i6j h ASP 38 N -0.76 -0.82 -0.27 -0.19 5.19 -1.99 -1.35 116.42 116.23 2i6j h ASP 38 Ca -0.45 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 2i6j h ASP 38 Cb 1.23 0.48 -0.01 0.00 0.18 0.00 0.00 39.33 41.20 2i6j h ASP 38 CO 0.59 -0.26 0.18 4.11 -3.12 0.00 0.00 179.24 180.74 2i6j h TRP 39 N -0.06 0.35 -0.26 4.55 5.08 -1.98 0.18 115.95 123.81 2i6j h TRP 39 Ca 0.30 0.01 -0.13 0.00 1.08 0.00 0.00 58.89 60.15 2i6j h TRP 39 Cb 0.52 -0.12 -0.00 0.00 -3.00 0.00 0.00 29.16 26.57 2i6j h TRP 39 CO -0.59 0.22 -0.35 0.93 -1.28 0.00 0.00 178.44 177.38 2i6j h GLU 40 N 0.37 0.70 -0.64 0.12 5.08 -1.63 -2.83 114.58 115.76 2i6j h GLU 40 Ca 0.10 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 2i6j h GLU 40 Cb -0.04 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2i6j h GLU 40 CO -0.02 1.02 0.17 0.82 -1.00 0.00 0.00 179.01 180.00 2i6j h ILE 41 N 0.43 1.25 0.00 3.13 2.04 -0.87 -2.78 117.51 120.71 2i6j h ILE 41 Ca 0.03 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 2i6j h ILE 41 Cb 0.94 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2i6j h ILE 41 CO 0.08 0.34 -0.03 -0.33 0.00 0.00 0.00 178.15 178.22 2i6j h GLU 42 N 0.93 0.00 -0.07 2.37 5.08 -0.91 -0.39 114.58 121.59 2i6j h GLU 42 Ca 0.20 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2i6j h GLU 42 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2i6j h GLU 42 CO -0.00 0.03 -0.06 0.93 -1.00 0.00 0.00 179.01 178.91 2i6j h GLU 43 N 0.00 0.09 0.00 2.33 5.08 -1.23 -0.30 114.58 120.55 2i6j h GLU 43 Ca -0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2i6j h GLU 43 Cb 0.23 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2i6j h GLU 43 CO 0.00 0.16 -1.50 0.43 -1.00 0.00 0.00 179.01 177.10 2i6j n SER 44 N -4.42 2.67 0.00 1.42 7.64 -0.89 -4.76 113.62 115.29 2i6j n SER 44 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2i6j n SER 44 Cb 0.17 1.31 0.00 0.00 -1.01 0.00 0.00 64.21 64.68 2i6j n SER 44 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2i6j n TRP 45 N -1.96 0.00 0.00 1.43 7.02 -0.21 -4.98 117.44 118.74 2i6j n TRP 45 Ca -0.05 -0.31 0.00 0.00 -1.02 0.00 0.00 57.50 56.12 2i6j n TRP 45 Cb 0.38 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 29.24 2i6j n TRP 45 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2i6j n GLY 46 N -0.31 0.51 3.00 6.99 0.00 -0.13 -4.63 105.19 110.61 2i6j n GLY 46 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2i6j n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2i6j s ASP 47 N 0.00 -0.19 0.20 1.61 -1.08 -1.26 -4.78 116.67 111.16 2i6j s ASP 47 Ca 0.00 0.42 -0.10 0.00 -0.52 0.00 0.00 52.55 52.35 2i6j s ASP 47 Cb 0.00 0.31 0.21 0.00 -1.46 0.00 0.00 42.92 41.97 2i6j s ASP 47 CO 0.00 -0.16 1.82 0.50 0.52 0.00 0.00 175.17 177.85 2i6j h LYS 48 N 7.21 0.71 -0.45 4.34 3.11 -1.85 -1.35 116.57 128.28 2i6j h LYS 48 Ca -0.42 -0.04 -0.07 0.00 -2.81 0.00 0.00 60.65 57.31 2i6j h LYS 48 Cb 1.15 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 32.20 2i6j h LYS 48 CO 0.40 0.47 -0.01 -0.44 -2.81 0.00 0.00 179.45 177.06 2i6j h ASP 49 N 0.73 0.72 -0.52 4.20 3.45 -1.96 -1.90 116.42 121.13 2i6j h ASP 49 Ca 0.28 -0.17 -0.02 0.00 0.43 0.00 0.00 57.03 57.54 2i6j h ASP 49 Cb 0.11 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.67 2i6j h ASP 49 CO -0.15 0.79 0.23 0.22 -1.57 0.00 0.00 179.24 178.76 2i6j h TYR 50 N 0.70 0.78 -0.53 4.55 -0.00 -1.73 -1.26 116.97 119.48 2i6j h TYR 50 Ca 0.14 -0.05 0.01 0.00 -0.00 0.00 0.00 58.73 58.82 2i6j h TYR 50 Cb 0.44 -0.24 -0.03 0.00 -0.00 0.00 0.00 36.73 36.91 2i6j h TYR 50 CO 0.02 0.62 0.35 -0.92 -0.00 0.00 0.00 178.16 178.24 2i6j h TYR 51 N 0.70 0.66 -0.47 -3.82 3.20 -0.91 -1.00 116.97 115.33 2i6j h TYR 51 Ca 0.18 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 2i6j h TYR 51 Cb 0.16 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2i6j h TYR 51 CO 0.00 0.41 0.13 -0.07 -1.64 0.00 0.00 178.16 177.00 2i6j h LEU 52 N 0.71 0.63 -0.91 2.82 3.38 -1.05 -1.51 115.31 119.38 2i6j h LEU 52 Ca 0.19 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 2i6j h LEU 52 Cb -0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2i6j h LEU 52 CO -0.04 0.62 -0.42 0.77 0.09 0.00 0.00 178.44 179.46 2i6j h SER 53 N 0.68 0.27 -0.27 -0.43 4.64 -0.64 -2.31 113.55 115.48 2i6j h SER 53 Ca 0.16 -0.12 -0.10 0.00 -0.47 0.00 0.00 61.79 61.26 2i6j h SER 53 Cb 0.22 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2i6j h SER 53 CO -0.01 0.66 -0.16 0.40 -0.87 0.00 0.00 176.83 176.86 2i6j h ILE 54 N 0.22 1.26 -0.41 0.95 1.08 -0.25 0.69 117.51 121.04 2i6j h ILE 54 Ca 0.02 -1.21 -0.07 0.00 -0.39 0.00 0.00 64.86 63.21 2i6j h ILE 54 Cb 0.83 1.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.71 2i6j h ILE 54 CO 0.07 0.41 0.00 -0.07 -0.69 0.00 0.00 178.15 177.87 2i6j h LEU 55 N 0.63 0.72 -0.66 1.44 3.38 -1.00 -2.48 115.31 117.34 2i6j h LEU 55 Ca 0.10 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 2i6j h LEU 55 Cb 0.63 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2i6j h LEU 55 CO 0.04 0.85 -0.19 0.11 0.09 0.00 0.00 178.44 179.34 2i6j h LYS 56 N 0.56 0.85 0.00 1.13 1.57 -1.17 -1.16 116.57 118.34 2i6j h LYS 56 Ca 0.12 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 2i6j h LYS 56 Cb 0.48 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 2i6j h LYS 56 CO 0.02 0.96 -0.11 -0.22 -0.57 0.00 0.00 179.45 179.54 2i6j h LYS 57 N 0.74 0.00 -0.67 3.15 3.64 -0.74 -1.80 116.57 120.89 2i6j h LYS 57 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2i6j h LYS 57 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2i6j h LYS 57 CO 0.05 0.11 0.00 0.09 -2.27 0.00 0.00 179.45 177.43 2i6j n ASN 58 N -3.94 4.48 -0.20 4.20 5.03 -0.95 -4.91 115.26 118.97 2i6j n ASN 58 Ca -0.02 -2.65 -0.03 0.00 0.87 0.00 0.00 54.58 52.75 2i6j n ASN 58 Cb 0.20 -0.62 -0.01 0.00 -1.02 0.00 0.00 39.78 38.33 2i6j n ASN 58 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2i6j n GLY 59 N 0.56 0.59 3.47 7.41 0.00 -0.67 -5.01 105.19 111.54 2i6j n GLY 59 Ca 0.21 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 2i6j n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i6j s LEU 60 N -0.59 2.86 -0.34 0.99 1.43 -0.48 -4.92 118.68 117.64 2i6j s LEU 60 Ca 0.00 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 52.72 2i6j s LEU 60 Cb 0.00 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 2i6j s LEU 60 CO 0.00 0.28 0.55 -1.10 0.23 0.00 0.00 176.35 176.31 2i6j s GLN 61 N -0.30 3.72 0.21 1.70 -0.21 -1.10 -3.02 119.66 120.65 2i6j s GLN 61 Ca 0.03 -0.01 0.05 0.00 0.02 0.00 0.00 55.36 55.44 2i6j s GLN 61 Cb -0.13 -3.78 -0.03 0.00 1.00 0.00 0.00 33.01 30.07 2i6j s GLN 61 CO 0.03 -0.62 0.26 -1.25 -2.12 0.00 0.00 175.29 171.59 2i6j s PRO 62 N 2.47 3.22 -0.04 2.91 0.04 -1.26 -0.90 135.00 141.44 2i6j s PRO 62 Ca 0.21 -0.81 -0.01 0.00 0.04 0.00 0.00 61.00 60.43 2i6j s PRO 62 Cb -0.15 -2.79 0.03 0.00 0.04 0.00 0.00 34.50 31.63 2i6j s PRO 62 CO 0.13 0.46 0.03 -1.17 0.04 0.00 0.00 177.00 176.49 2i6j s LEU 63 N -3.60 0.58 -0.33 -3.56 2.96 -0.45 -4.95 118.68 109.34 2i6j s LEU 63 Ca 0.33 0.03 -0.11 0.00 -0.22 0.00 0.00 54.13 54.16 2i6j s LEU 63 Cb -0.09 -0.19 -0.01 0.00 0.50 0.00 0.00 46.19 46.40 2i6j s LEU 63 CO 0.27 -0.19 0.20 -2.28 -1.32 0.00 0.00 176.35 173.03 2i6j s HIS 64 N 1.71 3.20 -0.48 5.38 5.65 -1.26 -0.30 115.29 129.19 2i6j s HIS 64 Ca -0.01 -0.43 0.03 0.00 0.25 0.00 0.00 55.06 54.90 2i6j s HIS 64 Cb -0.13 -2.42 0.14 0.00 -1.18 0.00 0.00 32.58 29.00 2i6j s HIS 64 CO -0.03 -0.43 0.29 0.42 -0.65 0.00 0.00 174.74 174.35 2i6j s ILE 65 N 1.66 1.61 0.05 0.89 -1.09 -0.20 -4.98 121.20 119.15 2i6j s ILE 65 Ca 0.05 -2.90 -0.30 0.00 -2.23 0.00 0.00 60.65 55.27 2i6j s ILE 65 Cb -0.17 -2.11 -0.09 0.00 -1.58 0.00 0.00 42.46 38.50 2i6j s ILE 65 CO 0.08 -0.94 1.95 -2.84 -1.23 0.00 0.00 174.94 171.96 2i6j s PRO 66 N -0.02 4.14 -0.10 2.79 0.02 -1.26 -4.32 135.00 136.25 2i6j s PRO 66 Ca 0.20 2.62 0.03 0.00 0.02 0.00 0.00 61.00 63.87 2i6j s PRO 66 Cb -0.18 -4.07 0.01 0.00 0.02 0.00 0.00 34.50 30.28 2i6j s PRO 66 CO -0.05 -0.94 -0.18 0.42 -0.33 0.00 0.00 177.00 175.92 2i6j s ILE 67 N 4.18 1.69 0.44 2.83 1.01 -0.10 -4.95 121.20 126.30 2i6j s ILE 67 Ca 0.87 -0.78 -0.25 0.00 0.00 0.00 0.00 60.65 60.50 2i6j s ILE 67 Cb -0.43 -1.50 -0.08 0.00 0.01 0.00 0.00 42.46 40.45 2i6j s ILE 67 CO 0.41 0.48 1.34 -2.84 0.00 0.00 0.00 174.94 174.33 2i6j s PRO 68 N 0.69 3.74 0.15 2.79 0.02 -1.26 -4.37 135.00 136.76 2i6j s PRO 68 Ca -0.12 2.22 -0.34 0.00 0.02 0.00 0.00 61.00 62.78 2i6j s PRO 68 Cb -0.16 -2.62 -0.15 0.00 0.02 0.00 0.00 34.50 31.59 2i6j s PRO 68 CO 0.03 -0.70 1.47 -3.47 -0.33 0.00 0.00 177.00 173.99 2i6j n ASP 69 N -0.19 2.53 0.00 2.53 2.03 -1.26 -0.33 116.55 121.86 2i6j n ASP 69 Ca 0.05 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.47 2i6j n ASP 69 Cb 0.44 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 2i6j n ASP 69 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2i6j n GLY 70 N 2.94 1.96 0.00 0.27 0.00 -1.26 -5.01 105.19 104.08 2i6j n GLY 70 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2i6j n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i6j n GLY 71 N -2.00 1.67 3.19 -0.02 0.00 0.55 -4.60 105.19 103.98 2i6j n GLY 71 Ca 0.00 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 2i6j n GLY 71 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2i6j s VAL 72 N 1.03 0.77 0.60 1.61 -7.23 -1.26 -4.79 120.40 111.13 2i6j s VAL 72 Ca 0.00 -1.96 -0.17 0.00 -1.81 0.00 0.00 61.98 58.03 2i6j s VAL 72 Cb 0.00 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 2i6j s VAL 72 CO 0.00 -0.78 1.13 -2.16 -0.31 0.00 0.00 175.10 172.98 2i6j s PRO 73 N -3.83 3.03 0.91 4.82 0.04 -1.26 -4.85 135.00 133.86 2i6j s PRO 73 Ca 0.15 1.54 -0.12 0.00 0.04 0.00 0.00 61.00 62.61 2i6j s PRO 73 Cb 0.05 -1.97 0.13 0.00 0.04 0.00 0.00 34.50 32.76 2i6j s PRO 73 CO -0.02 -1.09 1.12 -1.54 0.04 0.00 0.00 177.00 175.50 2i6j s SER 74 N -2.11 3.52 0.31 6.66 1.04 -1.26 -4.73 113.70 117.12 2i6j s SER 74 Ca 0.71 1.10 -0.01 0.00 0.48 0.00 0.00 55.95 58.23 2i6j s SER 74 Cb -0.23 -1.73 0.47 0.00 0.10 0.00 0.00 66.02 64.63 2i6j s SER 74 CO 0.34 -2.56 1.97 0.44 0.98 0.00 0.00 173.24 174.42 2i6j h ASP 75 N -1.50 0.92 -0.42 7.02 5.19 -1.99 0.54 116.42 126.17 2i6j h ASP 75 Ca -0.51 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 55.82 2i6j h ASP 75 Cb 1.32 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.58 2i6j h ASP 75 CO 0.60 0.66 0.03 0.77 -3.12 0.00 0.00 179.24 178.18 2i6j h SER 76 N 1.08 0.71 -0.39 6.45 4.64 -2.00 -2.06 113.55 121.98 2i6j h SER 76 Ca 0.30 -0.29 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 2i6j h SER 76 Cb -0.11 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.77 2i6j h SER 76 CO -0.07 0.82 0.02 1.56 -0.87 0.00 0.00 176.83 178.29 2i6j h GLN 77 N 0.57 0.75 -0.55 4.77 4.20 -1.74 -2.56 115.11 120.56 2i6j h GLN 77 Ca 0.12 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 2i6j h GLN 77 Cb 0.44 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2i6j h GLN 77 CO 0.02 0.75 0.03 0.35 -0.67 0.00 0.00 178.83 179.31 2i6j h PHE 78 N 0.71 0.97 -0.55 2.96 3.57 -0.68 0.13 116.94 124.06 2i6j h PHE 78 Ca 0.14 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2i6j h PHE 78 Cb 0.40 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 2i6j h PHE 78 CO 0.02 0.86 0.27 1.25 -2.23 0.00 0.00 178.31 178.48 2i6j h LEU 79 N 0.85 0.71 -0.40 0.59 5.85 -1.09 -0.69 115.31 121.14 2i6j h LEU 79 Ca 0.17 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 2i6j h LEU 79 Cb 0.46 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2i6j h LEU 79 CO 0.02 0.63 0.07 0.74 -0.34 0.00 0.00 178.44 179.56 2i6j h THR 80 N 0.74 1.24 -0.13 1.05 2.02 -1.04 -1.17 112.91 115.62 2i6j h THR 80 Ca 0.19 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.52 2i6j h THR 80 Cb 0.10 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2i6j h THR 80 CO -0.03 0.29 0.08 0.40 0.37 0.00 0.00 175.52 176.64 2i6j h ILE 81 N 0.51 1.05 -0.08 3.11 2.04 -0.56 -1.87 117.51 121.72 2i6j h ILE 81 Ca 0.12 -0.12 -0.13 0.00 1.00 0.00 0.00 64.86 65.74 2i6j h ILE 81 Cb 0.36 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2i6j h ILE 81 CO 0.01 0.05 -0.52 0.24 0.00 0.00 0.00 178.15 177.93 2i6j h MET 82 N 0.16 0.22 -0.67 2.37 2.86 -1.06 -0.26 114.93 118.55 2i6j h MET 82 Ca 0.05 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 2i6j h MET 82 Cb 0.01 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 2i6j h MET 82 CO -0.01 0.69 0.14 -0.22 1.06 0.00 0.00 176.91 178.57 2i6j h LYS 83 N 0.17 1.09 0.21 1.72 3.64 -1.09 -1.32 116.57 121.00 2i6j h LYS 83 Ca 0.00 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 2i6j h LYS 83 Cb 0.97 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2i6j h LYS 83 CO 0.08 0.98 -0.10 2.35 -2.27 0.00 0.00 179.45 180.49 2i6j h TRP 84 N 1.02 -0.26 -0.27 1.91 2.91 -1.02 -2.22 115.95 118.02 2i6j h TRP 84 Ca 0.21 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.19 2i6j h TRP 84 Cb 0.40 0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.12 2i6j h TRP 84 CO 0.03 0.03 0.05 -0.07 -1.03 0.00 0.00 178.44 177.44 2i6j h LEU 85 N -0.54 0.36 0.00 0.65 3.38 -1.01 -2.67 115.31 115.47 2i6j h LEU 85 Ca -0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2i6j h LEU 85 Cb 0.40 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2i6j h LEU 85 CO 0.05 0.38 -0.30 0.18 0.09 0.00 0.00 178.44 178.84 2i6j n LEU 86 N -4.37 0.51 0.03 1.67 4.32 -0.50 -3.97 117.00 114.70 2i6j n LEU 86 Ca 0.01 0.32 -0.02 0.00 -0.02 0.00 0.00 56.01 56.30 2i6j n LEU 86 Cb 0.18 -0.31 0.23 0.00 -1.62 0.00 0.00 43.42 41.90 2i6j n LEU 86 CO 0.37 -0.03 0.75 0.77 -1.22 0.00 0.00 177.39 178.03 2i6j h SER 87 N 0.00 0.43 -3.42 -1.43 4.64 -1.03 -3.42 113.55 109.32 2i6j h SER 87 Ca 0.00 -0.14 -0.31 0.00 -0.47 0.00 0.00 61.79 60.87 2i6j h SER 87 Cb 0.63 -0.12 -0.35 0.00 -0.31 0.00 0.00 62.40 62.25 2i6j h SER 87 CO 0.00 0.68 -0.71 -1.61 -0.87 0.00 0.00 176.83 174.31 2i6j s GLU 88 N -4.50 -0.03 0.19 4.77 0.41 -1.25 -5.06 118.70 113.22 2i6j s GLU 88 Ca -0.06 0.29 0.16 0.00 -0.41 0.00 0.00 54.97 54.95 2i6j s GLU 88 Cb 0.14 -0.32 -0.02 0.00 -1.78 0.00 0.00 34.13 32.15 2i6j s GLU 88 CO 0.78 -0.22 1.18 -0.22 -0.49 0.00 0.00 175.26 176.28 2i6j h LYS 89 N 7.69 0.00 -6.19 1.61 3.64 -1.82 -3.46 116.57 118.04 2i6j h LYS 89 Ca -0.34 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.48 2i6j h LYS 89 Cb 1.12 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 2i6j h LYS 89 CO 0.36 0.39 0.03 -1.21 -2.27 0.00 0.00 179.45 176.75 2i6j s GLU 90 N -2.96 4.35 -1.16 1.90 2.02 -1.26 -4.44 118.70 117.15 2i6j s GLU 90 Ca 0.01 0.83 -0.02 0.00 0.02 0.00 0.00 54.97 55.81 2i6j s GLU 90 Cb 0.08 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.99 2i6j s GLU 90 CO 0.77 0.42 0.26 0.41 0.02 0.00 0.00 175.26 177.14 2i6j n GLY 91 N 2.24 -0.19 3.69 -1.39 0.00 0.45 -4.66 105.19 105.34 2i6j n GLY 91 Ca -0.06 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2i6j n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2i6j s ASN 92 N -2.61 7.14 -0.07 1.61 0.01 -0.53 -0.47 114.94 120.01 2i6j s ASN 92 Ca 0.13 1.39 0.06 0.00 -0.71 0.00 0.00 52.86 53.73 2i6j s ASN 92 Cb -0.06 -2.51 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 2i6j s ASN 92 CO 0.16 -0.35 -0.25 -0.22 -1.51 0.00 0.00 177.10 174.93 2i6j s LEU 93 N 1.71 2.09 -0.09 0.60 2.96 -0.27 -0.84 118.68 124.84 2i6j s LEU 93 Ca 0.44 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 2i6j s LEU 93 Cb -0.18 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 2i6j s LEU 93 CO 0.18 0.23 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.56 2i6j s VAL 94 N -0.05 2.62 0.02 1.68 1.01 -0.19 -0.53 120.40 124.97 2i6j s VAL 94 Ca -0.07 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2i6j s VAL 94 Cb -0.15 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 2i6j s VAL 94 CO 0.05 0.55 0.07 -1.38 0.00 0.00 0.00 175.10 174.39 2i6j s HIS 95 N 0.03 0.19 0.00 5.22 -0.00 -0.71 -1.82 115.29 118.19 2i6j s HIS 95 Ca -0.07 -0.43 0.00 0.00 -0.00 0.00 0.00 55.06 54.56 2i6j s HIS 95 Cb -0.15 -0.14 0.00 0.00 -0.00 0.00 0.00 32.58 32.29 2i6j s HIS 95 CO 0.05 -0.29 0.00 0.00 -0.00 0.00 0.00 174.74 174.49 2i6j h VAL 97 N 0.00 1.22 -0.00 0.00 2.07 -1.90 -2.11 116.25 115.53 2i6j h VAL 97 Ca 0.00 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.29 2i6j h VAL 97 Cb 0.00 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2i6j h VAL 97 CO 0.00 0.41 -0.16 0.61 0.02 0.00 0.00 177.57 178.45 2i6j n GLY 98 N 1.49 0.17 1.27 2.17 0.00 -1.26 -0.47 105.19 108.56 2i6j n GLY 98 Ca -0.24 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2i6j n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i6j n GLY 99 N 0.90 0.64 0.27 -0.02 0.00 -1.18 -3.97 105.19 101.82 2i6j n GLY 99 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2i6j n GLY 99 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2i6j n ILE 100 N -2.64 0.00 0.00 -0.61 5.41 -1.26 -4.36 119.36 115.90 2i6j n ILE 100 Ca 0.00 0.36 0.00 0.00 1.00 0.00 0.00 62.75 64.11 2i6j n ILE 100 Cb 0.00 -1.36 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 2i6j n ILE 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2i6j n GLY 101 N 2.05 -1.58 0.23 7.39 0.00 -1.26 -1.77 105.19 110.25 2i6j n GLY 101 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2i6j n GLY 101 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2i6j h ARG 102 N 0.00 0.76 -0.40 1.61 3.08 -1.93 -1.85 114.38 115.64 2i6j h ARG 102 Ca 0.00 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 2i6j h ARG 102 Cb 0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2i6j h ARG 102 CO 0.00 0.67 0.14 1.15 -1.07 0.00 0.00 179.97 180.86 2i6j h THR 103 N 0.68 1.21 -0.90 2.04 2.02 -1.85 -1.97 112.91 114.13 2i6j h THR 103 Ca 0.17 -0.66 0.02 0.00 0.77 0.00 0.00 66.41 66.70 2i6j h THR 103 Cb 0.19 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 2i6j h THR 103 CO -0.01 0.24 0.60 1.23 0.37 0.00 0.00 175.52 177.94 2i6j h GLY 104 N 0.50 1.28 0.94 2.16 0.00 -1.18 -0.36 103.07 106.42 2i6j h GLY 104 Ca 0.13 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 2i6j h GLY 104 CO -0.01 0.44 0.13 -0.84 0.00 0.00 0.00 176.54 176.27 2i6j h THR 105 N 1.19 1.22 -0.44 4.70 2.02 -1.03 -0.52 112.91 120.06 2i6j h THR 105 Ca 0.34 -0.70 -0.07 0.00 0.77 0.00 0.00 66.41 66.74 2i6j h THR 105 Cb -0.09 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2i6j h THR 105 CO -0.08 0.25 -0.02 0.40 0.37 0.00 0.00 175.52 176.44 2i6j h ILE 106 N 0.52 1.26 -0.49 3.11 1.08 -0.87 -1.62 117.51 120.50 2i6j h ILE 106 Ca 0.13 -1.07 -0.02 0.00 -0.39 0.00 0.00 64.86 63.52 2i6j h ILE 106 Cb 0.25 1.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 2i6j h ILE 106 CO -0.01 0.37 0.24 -0.07 -0.69 0.00 0.00 178.15 177.99 2i6j h LEU 107 N 0.62 0.65 -0.81 1.44 3.38 -0.94 -0.77 115.31 118.87 2i6j h LEU 107 Ca 0.12 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2i6j h LEU 107 Cb 0.52 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2i6j h LEU 107 CO 0.03 0.59 0.40 0.00 0.09 0.00 0.00 178.44 179.55 2i6j h ALA 108 N 1.08 1.05 -0.67 1.53 0.00 -1.01 -2.12 119.26 119.11 2i6j h ALA 108 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2i6j h ALA 108 Cb 0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2i6j h ALA 108 CO -0.02 0.61 0.34 0.77 0.00 0.00 0.00 179.25 180.95 2i6j h SER 109 N 1.15 0.83 -0.50 0.00 0.02 -0.88 -1.10 113.55 113.07 2i6j h SER 109 Ca 0.28 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2i6j h SER 109 Cb 0.11 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2i6j h SER 109 CO -0.04 0.69 0.19 0.22 -1.14 0.00 0.00 176.83 176.75 2i6j h TYR 110 N 0.93 0.78 -0.59 3.45 3.20 -0.58 -1.94 116.97 122.23 2i6j h TYR 110 Ca 0.23 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 2i6j h TYR 110 Cb 0.06 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 2i6j h TYR 110 CO 0.01 0.66 0.05 -0.07 -1.64 0.00 0.00 178.16 177.17 2i6j h LEU 111 N 0.68 0.97 -0.31 2.82 3.38 -0.88 -0.19 115.31 121.77 2i6j h LEU 111 Ca 0.17 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2i6j h LEU 111 Cb 0.22 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2i6j h LEU 111 CO -0.01 1.01 0.14 0.40 0.09 0.00 0.00 178.44 180.07 2i6j h ILE 112 N 0.90 0.97 -0.08 1.22 2.04 -0.98 0.58 117.51 122.16 2i6j h ILE 112 Ca 0.17 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 65.87 2i6j h ILE 112 Cb 0.48 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2i6j h ILE 112 CO 0.02 0.06 -0.17 -0.07 0.00 0.00 0.00 178.15 177.99 2i6j h LEU 113 N 0.30 0.29 -0.39 1.44 3.38 -1.23 -1.25 115.31 117.86 2i6j h LEU 113 Ca 0.13 -0.57 -0.15 0.00 0.09 0.00 0.00 57.88 57.38 2i6j h LEU 113 Cb 0.06 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2i6j h LEU 113 CO -0.10 0.80 -0.74 0.71 0.09 0.00 0.00 178.44 179.20 2i6j h THR 114 N -0.22 1.43 -0.00 0.22 1.35 -1.00 -3.35 112.91 111.34 2i6j h THR 114 Ca 0.00 -2.60 0.00 0.00 -0.55 0.00 0.00 66.41 63.26 2i6j h THR 114 Cb 0.76 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 2i6j h THR 114 CO 0.04 0.72 -0.02 -0.62 -0.25 0.00 0.00 175.52 175.39 2i6j n GLU 115 N -3.52 0.60 -2.03 4.72 1.02 0.19 -5.01 120.64 116.61 2i6j n GLU 115 Ca -0.00 -0.54 -0.14 0.00 -0.02 0.00 0.00 57.16 56.45 2i6j n GLU 115 Cb 0.75 -0.97 -0.02 0.00 -0.02 0.00 0.00 31.44 31.17 2i6j n GLU 115 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2i6j n GLY 116 N 0.32 0.26 3.78 0.62 0.00 -0.47 -4.98 105.19 104.71 2i6j n GLY 116 Ca 0.01 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 2i6j n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i6j s LEU 117 N -3.81 3.77 0.52 0.99 1.43 -1.23 -5.01 118.68 115.34 2i6j s LEU 117 Ca 0.00 2.11 -0.17 0.00 -1.03 0.00 0.00 54.13 55.03 2i6j s LEU 117 Cb 0.00 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.57 2i6j s LEU 117 CO 0.00 -1.11 1.01 -1.61 0.23 0.00 0.00 176.35 174.87 2i6j s GLU 118 N -3.29 3.79 0.27 1.70 2.02 -1.26 -4.60 118.70 117.32 2i6j s GLU 118 Ca 0.71 1.10 -0.01 0.00 0.02 0.00 0.00 54.97 56.79 2i6j s GLU 118 Cb -0.22 -2.11 0.58 0.00 0.10 0.00 0.00 34.13 32.48 2i6j s GLU 118 CO 0.25 -0.41 1.70 -0.24 0.02 0.00 0.00 175.26 176.58 2i6j h VAL 119 N 1.01 0.52 -0.58 2.63 3.04 -1.95 -1.20 116.25 119.72 2i6j h VAL 119 Ca -0.47 -0.12 -0.05 0.00 -1.01 0.00 0.00 66.70 65.04 2i6j h VAL 119 Cb 1.20 0.13 -0.03 0.00 -2.01 0.00 0.00 31.29 30.58 2i6j h VAL 119 CO 0.60 0.07 0.17 1.05 -1.01 0.00 0.00 177.57 178.44 2i6j h GLU 120 N 0.36 0.87 -0.27 4.17 9.09 -1.98 -1.29 114.58 125.53 2i6j h GLU 120 Ca 0.48 -0.17 -0.14 0.00 0.05 0.00 0.00 59.36 59.58 2i6j h GLU 120 Cb 0.85 -0.14 -0.00 0.00 -1.65 0.00 0.00 28.75 27.81 2i6j h GLU 120 CO -0.50 0.76 -0.39 0.77 0.05 0.00 0.00 179.01 179.71 2i6j h SER 121 N 0.85 0.81 -0.61 3.06 0.02 -1.63 -1.97 113.55 114.08 2i6j h SER 121 Ca 0.19 -0.51 0.01 0.00 -0.84 0.00 0.00 61.79 60.64 2i6j h SER 121 Cb 0.27 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2i6j h SER 121 CO -0.01 1.16 0.40 0.00 -1.14 0.00 0.00 176.83 177.25 2i6j h ALA 122 N 0.67 0.78 -0.22 3.77 0.00 -1.00 0.34 119.26 123.60 2i6j h ALA 122 Ca 0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2i6j h ALA 122 Cb 0.98 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2i6j h ALA 122 CO 0.09 0.22 0.04 0.82 0.00 0.00 0.00 179.25 180.41 2i6j h ILE 123 N 0.83 1.22 -0.92 0.00 2.04 -1.21 -2.42 117.51 117.05 2i6j h ILE 123 Ca 0.22 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.35 2i6j h ILE 123 Cb -0.09 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 2i6j h ILE 123 CO -0.05 0.23 0.60 -0.78 0.00 0.00 0.00 178.15 178.15 2i6j h ASP 124 N 0.16 1.06 -0.36 1.72 3.58 -1.12 -0.60 116.42 120.87 2i6j h ASP 124 Ca 0.07 -0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.53 2i6j h ASP 124 Cb 0.31 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 41.05 2i6j h ASP 124 CO 0.00 0.78 0.08 -0.33 -2.88 0.00 0.00 179.24 176.89 2i6j h GLU 125 N 1.25 0.20 -0.18 0.28 4.39 -0.76 -1.18 114.58 118.58 2i6j h GLU 125 Ca 0.34 -0.01 -0.20 0.00 0.34 0.00 0.00 59.36 59.83 2i6j h GLU 125 Cb -0.13 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 2i6j h GLU 125 CO -0.07 0.13 -0.68 0.28 -1.16 0.00 0.00 179.01 177.52 2i6j h VAL 126 N 0.21 1.30 0.00 3.13 2.07 -1.11 -3.09 116.25 118.75 2i6j h VAL 126 Ca 0.17 -1.91 -0.02 0.00 0.82 0.00 0.00 66.70 65.76 2i6j h VAL 126 Cb 0.18 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2i6j h VAL 126 CO -0.21 0.60 -0.09 0.03 0.02 0.00 0.00 177.57 177.93 2i6j h ARG 127 N 0.51 0.00 0.00 1.57 3.08 -0.77 0.16 114.38 118.94 2i6j h ARG 127 Ca -0.02 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 2i6j h ARG 127 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 2i6j h ARG 127 CO 0.14 0.09 -0.30 -0.07 -1.07 0.00 0.00 179.97 178.75 2i6j h LEU 128 N 0.00 0.00 0.00 3.04 3.38 -1.13 -2.87 115.31 117.72 2i6j h LEU 128 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2i6j h LEU 128 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2i6j h LEU 128 CO 0.01 0.30 -1.34 1.33 0.09 0.00 0.00 178.44 178.84 2i6j n VAL 129 N -3.85 0.00 -3.40 1.22 0.24 -0.77 -4.82 118.33 106.94 2i6j n VAL 129 Ca -0.01 -0.28 -0.22 0.00 -2.04 0.00 0.00 64.34 61.78 2i6j n VAL 129 Cb 0.39 0.45 -0.10 0.00 -1.47 0.00 0.00 33.84 33.11 2i6j n VAL 129 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2i6j s ARG 130 N -2.81 0.61 0.26 7.34 6.06 0.50 -4.93 118.95 125.98 2i6j s ARG 130 Ca -0.02 -1.11 -0.30 0.00 -2.50 0.00 0.00 55.73 51.80 2i6j s ARG 130 Cb 0.10 -0.99 -0.14 0.00 0.06 0.00 0.00 34.95 33.98 2i6j s ARG 130 CO 0.62 -1.21 1.25 -2.30 -2.50 0.00 0.00 175.30 171.16 2i6j n PRO 131 N 4.10 1.76 -0.02 5.12 -0.02 -1.09 -1.75 135.00 143.09 2i6j n PRO 131 Ca 0.12 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2i6j n PRO 131 Cb 0.42 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 2i6j n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2i6j n GLY 132 N 1.63 1.44 3.57 -1.23 0.00 -1.26 -4.97 105.19 104.36 2i6j n GLY 132 Ca 0.10 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.66 2i6j n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i6j n ALA 133 N -1.00 -0.67 -2.05 4.61 0.00 -0.72 -3.99 120.51 116.69 2i6j n ALA 133 Ca 0.00 0.42 -0.01 0.00 0.00 0.00 0.00 53.44 53.84 2i6j n ALA 133 Cb 0.00 -1.98 -0.01 0.00 0.00 0.00 0.00 19.45 17.46 2i6j n ALA 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2i6j n VAL 134 N 0.58 -7.28 -0.05 0.00 0.31 -1.10 -4.84 118.33 105.96 2i6j n VAL 134 Ca 0.12 1.10 -0.22 0.00 -0.01 0.00 0.00 64.34 65.34 2i6j n VAL 134 Cb 0.29 -5.21 -0.13 0.00 -0.91 0.00 0.00 33.84 27.88 2i6j n VAL 134 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2i6j n GLN 135 N 0.56 0.68 -3.75 5.55 1.13 -1.26 -4.97 117.38 115.32 2i6j n GLN 135 Ca -0.10 0.37 -0.21 0.00 -1.94 0.00 0.00 57.00 55.12 2i6j n GLN 135 Cb 0.15 -1.70 -0.03 0.00 0.11 0.00 0.00 30.24 28.77 2i6j n GLN 135 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2i6j s THR 136 N -2.49 3.82 0.24 5.09 -4.23 -1.26 -5.02 115.64 111.79 2i6j s THR 136 Ca -0.26 -1.26 -0.05 0.00 -1.18 0.00 0.00 61.69 58.94 2i6j s THR 136 Cb 0.07 -3.29 0.15 0.00 1.34 0.00 0.00 72.50 70.77 2i6j s THR 136 CO 0.69 -0.19 1.79 1.88 -0.54 0.00 0.00 174.62 178.25 2i6j h TYR 137 N 1.17 1.06 -0.69 3.99 0.99 -1.95 -1.24 116.97 120.29 2i6j h TYR 137 Ca -0.46 -0.09 0.03 0.00 2.00 0.00 0.00 58.73 60.21 2i6j h TYR 137 Cb 1.25 -0.31 -0.04 0.00 1.00 0.00 0.00 36.73 38.62 2i6j h TYR 137 CO 0.50 0.84 0.43 1.49 -0.00 0.00 0.00 178.16 181.42 2i6j h GLU 138 N 1.00 0.81 -0.52 4.88 4.81 -1.95 0.27 114.58 123.87 2i6j h GLU 138 Ca 0.22 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 2i6j h GLU 138 Cb 0.27 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2i6j h GLU 138 CO -0.01 0.53 -0.04 1.96 -0.73 0.00 0.00 179.01 180.73 2i6j h GLN 139 N 0.83 0.94 -0.56 1.92 4.20 -1.67 -0.16 115.11 120.61 2i6j h GLN 139 Ca 0.28 -0.32 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 2i6j h GLN 139 Cb 0.04 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2i6j h GLN 139 CO -0.12 0.98 0.21 0.93 -0.67 0.00 0.00 178.83 180.16 2i6j h GLU 140 N 0.81 0.85 -0.69 1.46 5.08 -0.58 -1.93 114.58 119.58 2i6j h GLU 140 Ca 0.14 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 2i6j h GLU 140 Cb 0.58 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2i6j h GLU 140 CO 0.03 0.75 0.14 0.52 -1.00 0.00 0.00 179.01 179.45 2i6j h MET 141 N 0.78 1.13 -0.92 2.33 2.86 -0.33 -2.73 114.93 118.05 2i6j h MET 141 Ca 0.19 -0.29 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 2i6j h MET 141 Cb 0.22 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.70 2i6j h MET 141 CO -0.01 1.01 0.60 0.35 1.06 0.00 0.00 176.91 179.92 2i6j h PHE 142 N 1.06 1.14 -0.37 -0.22 3.57 -0.71 -2.06 116.94 119.35 2i6j h PHE 142 Ca 0.21 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.63 2i6j h PHE 142 Cb 0.41 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2i6j h PHE 142 CO 0.03 0.70 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.52 2i6j h LEU 143 N 1.22 0.75 -0.76 0.59 3.38 -1.07 -0.29 115.31 119.12 2i6j h LEU 143 Ca 0.34 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2i6j h LEU 143 Cb -0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2i6j h LEU 143 CO -0.09 0.95 -0.20 0.25 0.09 0.00 0.00 178.44 179.44 2i6j h LEU 144 N 0.65 0.73 -0.76 1.67 5.85 -1.27 -1.77 115.31 120.40 2i6j h LEU 144 Ca 0.09 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 2i6j h LEU 144 Cb 0.72 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2i6j h LEU 144 CO 0.06 0.92 0.07 -0.09 -0.34 0.00 0.00 178.44 179.06 2i6j h ARG 145 N 0.64 1.01 -0.80 1.25 2.43 -1.00 -1.27 114.38 116.63 2i6j h ARG 145 Ca 0.09 -0.27 -0.05 0.00 -0.81 0.00 0.00 59.98 58.95 2i6j h ARG 145 Cb 0.69 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 2i6j h ARG 145 CO 0.05 0.95 0.32 0.28 -1.51 0.00 0.00 179.97 180.06 2i6j h VAL 146 N 0.94 1.26 -0.42 0.20 2.07 -0.66 0.41 116.25 120.05 2i6j h VAL 146 Ca 0.18 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 2i6j h VAL 146 Cb 0.45 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2i6j h VAL 146 CO 0.02 0.34 0.10 -0.08 0.02 0.00 0.00 177.57 177.96 2i6j h GLU 147 N 1.17 0.68 -0.03 1.57 4.81 -0.92 -0.28 114.58 121.58 2i6j h GLU 147 Ca 0.27 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 2i6j h GLU 147 Cb 0.22 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2i6j h GLU 147 CO -0.02 0.70 -0.34 0.78 -0.73 0.00 0.00 179.01 179.39 2i6j h GLY 148 N 0.54 0.07 -2.83 1.92 0.00 -0.85 -2.86 103.07 99.05 2i6j h GLY 148 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2i6j h GLY 148 CO 0.00 0.05 0.00 1.03 0.00 0.00 0.00 176.54 177.62 2i6j n MET 149 N -4.12 3.02 -0.25 4.80 2.81 0.10 -4.71 117.12 118.77 2i6j n MET 149 Ca -0.02 -2.72 -0.05 0.00 -1.81 0.00 0.00 57.70 53.10 2i6j n MET 149 Cb 0.40 -1.67 0.01 0.00 -0.71 0.00 0.00 33.22 31.24 2i6j n MET 149 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2i6j h ARG 150 N 4.27 -0.12 -0.98 0.03 2.43 -0.81 -0.19 114.38 119.00 2i6j h ARG 150 Ca 0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2i6j h ARG 150 Cb 1.13 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.66 2i6j h ARG 150 CO 0.07 -0.08 0.64 0.87 -1.51 0.00 0.00 179.97 179.96 2i6j h LYS 151 N -0.13 1.30 -0.54 0.20 1.79 -1.86 -1.64 116.57 115.71 2i6j h LYS 151 Ca 0.25 -0.09 -0.07 0.00 -2.18 0.00 0.00 60.65 58.57 2i6j h LYS 151 Cb 0.56 -0.29 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 2i6j h LYS 151 CO -0.76 0.88 0.07 1.03 -1.08 0.00 0.00 179.45 179.59 2i6j h SER 152 N 1.34 0.86 -0.25 0.86 0.87 -1.55 -1.75 113.55 113.92 2i6j h SER 152 Ca 0.36 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2i6j h SER 152 Cb -0.13 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.59 2i6j h SER 152 CO -0.08 0.91 0.10 -0.50 -0.53 0.00 0.00 176.83 176.74 2i6j h TRP 153 N 0.78 0.38 -0.85 2.24 -0.00 -0.67 -1.60 115.95 116.24 2i6j h TRP 153 Ca 0.16 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 59.02 2i6j h TRP 153 Cb 0.43 -0.11 -0.04 0.00 -0.00 0.00 0.00 29.16 29.43 2i6j h TRP 153 CO 0.03 0.40 0.53 -0.07 -0.00 0.00 0.00 178.44 179.33 2i6j h LEU 154 N 0.25 1.01 -0.62 -4.49 3.38 -1.24 0.82 115.31 114.42 2i6j h LEU 154 Ca 0.08 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2i6j h LEU 154 Cb 0.18 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2i6j h LEU 154 CO -0.01 0.76 0.29 0.50 0.09 0.00 0.00 178.44 180.08 2i6j h LYS 155 N 1.16 0.90 0.00 1.13 3.11 -1.12 -2.13 116.57 119.62 2i6j h LYS 155 Ca 0.31 -0.14 -0.14 0.00 -2.81 0.00 0.00 60.65 57.87 2i6j h LYS 155 Cb -0.07 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 30.98 2i6j h LYS 155 CO -0.06 0.73 -0.67 -0.91 -2.81 0.00 0.00 179.45 175.73 2i6j h ASN 156 N 0.86 0.00 -0.18 4.20 2.35 -0.82 -2.58 115.58 119.41 2i6j h ASN 156 Ca 0.21 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.80 2i6j h ASN 156 Cb 0.13 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 2i6j h ASN 156 CO -0.03 0.67 -0.48 0.40 -1.65 0.00 0.00 177.43 176.34 2i6j h ILE 157 N 0.00 1.29 -0.60 2.81 2.04 -0.65 -3.26 117.51 119.14 2i6j h ILE 157 Ca -0.01 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.18 2i6j h ILE 157 Cb 1.24 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 2i6j h ILE 157 CO 0.09 0.54 0.00 -1.22 0.00 0.00 0.00 178.15 177.56 2i6j n TYR 158 N -4.01 1.61 -1.70 1.37 4.02 -0.82 -4.94 117.16 112.69 2i6j n TYR 158 Ca -0.03 -0.66 -0.42 0.00 -0.01 0.00 0.00 57.90 56.78 2i6j n TYR 158 Cb 0.58 -0.32 -0.03 0.00 -0.02 0.00 0.00 39.34 39.55 2i6j n TYR 158 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 2i6j s SER 159 N -0.95 6.31 0.19 7.72 0.01 -0.97 -4.93 113.70 121.07 2i6j s SER 159 Ca 0.51 2.48 0.01 0.00 1.31 0.00 0.00 55.95 60.27 2i6j s SER 159 Cb 0.35 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 64.05 2i6j s SER 159 CO 0.21 -1.20 0.05 -0.46 0.41 0.00 0.00 173.24 172.25 2i6j n ASN 160 N 8.20 1.47 0.00 2.44 6.94 -1.26 -5.09 115.26 127.95 2i6j n ASN 160 Ca 0.21 -1.94 0.12 0.00 -0.02 0.00 0.00 54.58 52.96 2i6j n ASN 160 Cb 0.42 0.37 0.73 0.00 -2.36 0.00 0.00 39.78 38.94 2i6j n ASN 160 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69