#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z4j s ALA 35 N 0.00 3.36 0.21 5.13 0.00 -1.26 -4.98 121.76 124.22 1z4j s ALA 35 Ca 0.00 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 1z4j s ALA 35 Cb 0.00 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 1z4j s ALA 35 CO 0.00 -0.24 1.42 -1.17 0.00 0.00 0.00 175.76 175.77 1z4j s LEU 36 N -0.13 4.39 -0.17 0.00 2.96 -0.34 -4.83 118.68 120.56 1z4j s LEU 36 Ca 0.51 2.54 -0.01 0.00 -0.22 0.00 0.00 54.13 56.95 1z4j s LEU 36 Cb -0.29 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.79 1z4j s LEU 36 CO 0.34 -0.67 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.97 1z4j s ARG 37 N 0.11 3.27 -0.12 1.98 3.52 -1.26 -0.76 118.95 125.69 1z4j s ARG 37 Ca 0.61 -0.71 0.02 0.00 -0.13 0.00 0.00 55.73 55.52 1z4j s ARG 37 Cb -0.40 -2.71 0.01 0.00 -1.56 0.00 0.00 34.95 30.29 1z4j s ARG 37 CO 0.38 -0.01 -0.20 0.08 -0.81 0.00 0.00 175.30 174.75 1z4j s VAL 38 N 0.91 1.85 -0.24 7.11 1.01 -0.22 -1.00 120.40 129.82 1z4j s VAL 38 Ca -0.03 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 1z4j s VAL 38 Cb -0.15 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1z4j s VAL 38 CO -0.01 0.51 0.39 -0.76 0.00 0.00 0.00 175.10 175.23 1z4j s LEU 39 N 0.82 4.09 -0.22 3.92 1.43 -0.02 -1.49 118.68 127.21 1z4j s LEU 39 Ca -0.08 0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.37 1z4j s LEU 39 Cb -0.16 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 1z4j s LEU 39 CO -0.01 -0.14 -0.01 -0.69 0.23 0.00 0.00 176.35 175.73 1z4j s VAL 40 N 1.74 3.67 0.64 -1.59 1.01 0.63 -1.22 120.40 125.29 1z4j s VAL 40 Ca 0.17 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 1z4j s VAL 40 Cb -0.15 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 1z4j s VAL 40 CO 0.09 0.41 1.19 0.21 0.00 0.00 0.00 175.10 176.99 1z4j s ASN 41 N 1.38 4.90 0.00 3.32 3.04 -0.49 -1.14 114.94 125.96 1z4j s ASN 41 Ca 0.05 2.30 0.00 0.00 0.04 0.00 0.00 52.86 55.25 1z4j s ASN 41 Cb -0.14 -2.59 0.00 0.00 -1.54 0.00 0.00 41.25 36.98 1z4j s ASN 41 CO -0.01 -1.78 0.00 0.80 -3.04 0.00 0.00 177.10 173.07 1z4j n MET 42 N -2.06 0.00 -2.12 0.43 0.00 -1.22 -3.56 117.12 108.59 1z4j n MET 42 Ca 0.13 0.16 -0.42 0.00 -0.00 0.00 0.00 57.70 57.57 1z4j n MET 42 Cb 0.50 -0.58 -0.03 0.00 0.00 0.00 0.00 33.22 33.11 1z4j n MET 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1z4j s ASP 43 N -2.86 6.78 0.00 6.12 1.01 -1.26 -0.31 116.67 126.15 1z4j s ASP 43 Ca 0.00 2.38 0.00 0.00 0.71 0.00 0.00 52.55 55.64 1z4j s ASP 43 Cb 0.00 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1z4j s ASP 43 CO 0.00 -0.69 0.00 0.61 0.21 0.00 0.00 175.17 175.30 1z4j n GLY 44 N 3.55 0.83 1.73 0.21 0.00 -0.27 -4.71 105.19 106.54 1z4j n GLY 44 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1z4j n GLY 44 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1z4j n VAL 45 N -2.01 0.09 -0.08 1.61 0.31 -0.91 -4.72 118.33 112.62 1z4j n VAL 45 Ca 0.00 0.03 -0.21 0.00 -0.01 0.00 0.00 64.34 64.15 1z4j n VAL 45 Cb 0.00 -0.78 -0.12 0.00 -0.91 0.00 0.00 33.84 32.03 1z4j n VAL 45 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1z4j n LEU 46 N -2.87 2.69 -4.38 7.52 4.77 0.57 -4.65 117.00 120.65 1z4j n LEU 46 Ca 0.00 0.06 -0.33 0.00 -0.03 0.00 0.00 56.01 55.72 1z4j n LEU 46 Cb 0.10 -0.98 -0.14 0.00 -2.33 0.00 0.00 43.42 40.07 1z4j n LEU 46 CO 0.00 0.83 -0.47 0.00 -1.33 0.00 0.00 177.39 176.42 1z4j s ALA 47 N -2.52 2.54 -1.30 -1.18 0.00 -0.28 -0.87 121.76 118.14 1z4j s ALA 47 Ca -0.31 -0.94 -0.16 0.00 0.00 0.00 0.00 51.96 50.55 1z4j s ALA 47 Cb 0.09 -1.03 0.09 0.00 0.00 0.00 0.00 23.12 22.27 1z4j s ALA 47 CO 0.64 0.37 1.75 -3.47 0.00 0.00 0.00 175.76 175.06 1z4j n ASP 48 N 3.07 4.86 -0.15 0.00 2.03 0.63 -1.11 116.55 125.87 1z4j n ASP 48 Ca -0.18 -2.93 -0.09 0.00 0.52 0.00 0.00 54.79 52.11 1z4j n ASP 48 Cb 0.52 -1.68 -0.00 0.00 -0.72 0.00 0.00 41.12 39.24 1z4j n ASP 48 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1z4j h PHE 49 N 7.15 0.72 -0.30 -0.67 3.04 -1.93 -1.87 116.94 123.08 1z4j h PHE 49 Ca 0.44 -0.08 -0.05 0.00 3.98 0.00 0.00 57.97 62.26 1z4j h PHE 49 Cb 0.82 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.12 1z4j h PHE 49 CO 1.35 0.66 -0.01 0.93 -2.02 0.00 0.00 178.31 179.22 1z4j h GLU 50 N 0.58 0.54 -0.58 1.11 4.39 -1.99 0.26 114.58 118.89 1z4j h GLU 50 Ca 0.14 -0.18 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 1z4j h GLU 50 Cb 0.28 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1z4j h GLU 50 CO -0.00 0.69 -0.01 0.78 -1.16 0.00 0.00 179.01 179.30 1z4j h GLY 51 N 0.32 1.09 0.87 -3.84 0.00 -1.96 -1.74 103.07 97.81 1z4j h GLY 51 Ca 0.08 -0.80 -0.05 0.00 0.00 0.00 0.00 47.33 46.56 1z4j h GLY 51 CO 0.02 0.73 -0.03 -1.33 0.00 0.00 0.00 176.54 175.93 1z4j h GLY 52 N 0.99 0.55 0.88 4.60 0.00 -1.22 -2.25 103.07 106.62 1z4j h GLY 52 Ca 0.16 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.08 1z4j h GLY 52 CO 0.03 0.39 0.02 -2.75 0.00 0.00 0.00 176.54 174.23 1z4j h PHE 53 N 0.28 0.03 -0.65 5.60 3.57 -0.90 -1.71 116.94 123.17 1z4j h PHE 53 Ca 0.07 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1z4j h PHE 53 Cb 0.48 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 1z4j h PHE 53 CO 0.04 0.01 0.27 1.25 -2.23 0.00 0.00 178.31 177.65 1z4j h LEU 54 N 0.06 0.88 -0.04 0.59 5.85 -1.21 0.18 115.31 121.62 1z4j h LEU 54 Ca 0.05 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1z4j h LEU 54 Cb 0.04 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 1z4j h LEU 54 CO -0.07 0.81 0.03 -0.09 -0.34 0.00 0.00 178.44 178.78 1z4j h ARG 55 N 0.90 0.06 0.00 1.25 2.43 -1.34 -1.31 114.38 116.37 1z4j h ARG 55 Ca 0.22 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.26 1z4j h ARG 55 Cb 0.19 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1z4j h ARG 55 CO -0.02 0.04 -0.57 0.87 -1.51 0.00 0.00 179.97 178.79 1z4j h LYS 56 N 0.05 0.00 0.01 0.20 1.57 -0.88 -1.95 116.57 115.57 1z4j h LYS 56 Ca 0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1z4j h LYS 56 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1z4j h LYS 56 CO -0.00 0.57 -0.00 0.35 -0.57 0.00 0.00 179.45 179.79 1z4j h PHE 57 N 0.00 -0.01 -0.81 -1.35 3.04 -0.46 -1.66 116.94 115.68 1z4j h PHE 57 Ca -0.01 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 61.98 1z4j h PHE 57 Cb 1.01 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.48 1z4j h PHE 57 CO 0.00 0.31 0.54 0.00 -2.02 0.00 0.00 178.31 177.13 1z4j h ARG 58 N -0.33 0.97 -0.29 1.11 3.08 -1.16 0.20 114.38 117.96 1z4j h ARG 58 Ca -0.00 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 1z4j h ARG 58 Cb 0.32 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1z4j h ARG 58 CO 0.00 0.64 -0.32 0.00 -1.07 0.00 0.00 179.97 179.23 1z4j h ALA 59 N 1.53 0.44 0.03 0.04 0.00 -1.25 -2.90 119.26 117.14 1z4j h ALA 59 Ca 0.32 -0.42 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 1z4j h ALA 59 Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1z4j h ALA 59 CO -0.10 0.48 -1.00 -0.09 0.00 0.00 0.00 179.25 178.54 1z4j h ARG 60 N 0.49 0.12 -2.15 0.00 2.43 -1.05 -3.38 114.38 110.84 1z4j h ARG 60 Ca 0.04 -0.17 -0.54 0.00 -0.81 0.00 0.00 59.98 58.50 1z4j h ARG 60 Cb 0.90 0.06 -0.41 0.00 -0.42 0.00 0.00 29.97 30.09 1z4j h ARG 60 CO 0.08 1.01 -0.88 1.19 -1.51 0.00 0.00 179.97 179.87 1z4j n PHE 61 N -3.51 2.44 0.30 2.20 3.72 0.70 -4.95 117.46 118.36 1z4j n PHE 61 Ca -0.03 -3.90 0.19 0.00 -0.05 0.00 0.00 57.45 53.66 1z4j n PHE 61 Cb 0.90 -0.45 0.98 0.00 -0.94 0.00 0.00 39.48 39.97 1z4j n PHE 61 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1z4j h PRO 62 N 2.98 0.00 -0.47 -1.08 0.13 -1.70 -2.13 132.00 129.72 1z4j h PRO 62 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1z4j h PRO 62 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1z4j h PRO 62 CO 0.69 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 1z4j n ASP 63 N -2.88 3.58 -4.92 1.44 10.43 -1.26 -4.92 116.55 118.01 1z4j n ASP 63 Ca -0.02 -1.99 -0.30 0.00 2.57 0.00 0.00 54.79 55.05 1z4j n ASP 63 Cb 0.11 -0.31 -0.04 0.00 1.84 0.00 0.00 41.12 42.72 1z4j n ASP 63 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1z4j s GLN 64 N -1.34 3.49 0.68 -1.24 -1.52 -0.80 -5.09 119.66 113.83 1z4j s GLN 64 Ca 0.41 -0.38 -0.13 0.00 -1.95 0.00 0.00 55.36 53.31 1z4j s GLN 64 Cb 0.23 -2.96 0.01 0.00 -0.22 0.00 0.00 33.01 30.07 1z4j s GLN 64 CO 0.32 0.54 1.08 -1.25 -0.25 0.00 0.00 175.29 175.72 1z4j s PRO 65 N -2.78 2.85 0.30 2.91 0.04 -1.26 -5.05 135.00 132.01 1z4j s PRO 65 Ca 0.37 1.15 0.03 0.00 0.04 0.00 0.00 61.00 62.59 1z4j s PRO 65 Cb -0.12 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1z4j s PRO 65 CO 0.28 -1.18 0.16 -0.59 0.04 0.00 0.00 177.00 175.70 1z4j s PHE 66 N -2.73 1.59 -0.27 0.56 -0.12 -1.26 -5.09 117.98 110.67 1z4j s PHE 66 Ca 0.62 -1.36 -0.03 0.00 -0.05 0.00 0.00 56.93 56.11 1z4j s PHE 66 Cb -0.16 -0.86 0.03 0.00 -0.63 0.00 0.00 43.02 41.40 1z4j s PHE 66 CO 0.48 -0.52 -0.02 0.42 -0.05 0.00 0.00 175.22 175.54 1z4j s ILE 67 N -3.62 3.11 0.69 -4.49 1.01 -1.26 -5.10 121.20 111.54 1z4j s ILE 67 Ca 0.36 -1.08 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 1z4j s ILE 67 Cb 0.05 -2.65 0.02 0.00 0.01 0.00 0.00 42.46 39.89 1z4j s ILE 67 CO 0.17 0.08 1.21 0.00 0.00 0.00 0.00 174.94 176.41 1z4j s ALA 68 N 1.33 2.23 0.35 9.38 0.00 -1.26 -4.83 121.76 128.97 1z4j s ALA 68 Ca -0.01 0.93 0.04 0.00 0.00 0.00 0.00 51.96 52.92 1z4j s ALA 68 Cb -0.18 -3.47 0.64 0.00 0.00 0.00 0.00 23.12 20.12 1z4j s ALA 68 CO -0.02 -1.70 1.92 -0.07 0.00 0.00 0.00 175.76 175.89 1z4j h LEU 69 N 0.01 0.53 -2.17 0.00 3.38 -1.98 -1.06 115.31 114.02 1z4j h LEU 69 Ca -0.48 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1z4j h LEU 69 Cb 1.30 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1z4j h LEU 69 CO 0.51 0.53 -0.03 1.05 0.09 0.00 0.00 178.44 180.59 1z4j h GLU 70 N 0.56 0.00 -0.03 1.13 4.11 -1.92 -2.34 114.58 116.10 1z4j h GLU 70 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1z4j h GLU 70 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1z4j h GLU 70 CO -0.00 0.03 -0.01 -0.25 0.07 0.00 0.00 179.01 178.85 1z4j n ASP 71 N -3.23 2.68 -4.74 3.06 8.00 -0.42 -4.95 116.55 116.95 1z4j n ASP 71 Ca -0.01 -1.89 -0.41 0.00 0.71 0.00 0.00 54.79 53.18 1z4j n ASP 71 Cb 0.20 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1z4j n ASP 71 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1z4j s ARG 72 N -2.01 4.32 -0.02 -1.24 1.81 -0.88 -4.94 118.95 115.98 1z4j s ARG 72 Ca 0.30 2.19 -0.02 0.00 -1.72 0.00 0.00 55.73 56.48 1z4j s ARG 72 Cb 0.20 -3.15 0.01 0.00 -0.45 0.00 0.00 34.95 31.56 1z4j s ARG 72 CO 0.31 -0.36 0.06 1.03 -0.68 0.00 0.00 175.30 175.67 1z4j s ARG 73 N -0.12 0.07 0.00 3.54 1.81 -1.26 -4.21 118.95 118.77 1z4j s ARG 73 Ca 0.59 0.10 0.00 0.00 -1.72 0.00 0.00 55.73 54.70 1z4j s ARG 73 Cb -0.39 0.01 0.00 0.00 -0.45 0.00 0.00 34.95 34.11 1z4j s ARG 73 CO 0.40 -0.03 0.00 0.41 -0.68 0.00 0.00 175.30 175.40 1z4j n GLY 74 N 3.17 -1.13 0.15 -3.53 0.00 -1.12 -4.80 105.19 97.92 1z4j n GLY 74 Ca -0.14 -1.37 -0.08 0.00 0.00 0.00 0.00 46.02 44.43 1z4j n GLY 74 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1z4j h PHE 75 N 0.00 0.32 -3.67 1.61 3.57 -1.97 -3.41 116.94 113.38 1z4j h PHE 75 Ca 0.00 0.01 -0.58 0.00 3.53 0.00 0.00 57.97 60.93 1z4j h PHE 75 Cb 0.00 -0.10 -0.09 0.00 2.79 0.00 0.00 35.95 38.56 1z4j h PHE 75 CO 0.00 0.18 0.78 -1.58 -2.23 0.00 0.00 178.31 175.46 1z4j s TRP 76 N -6.16 2.85 0.22 0.41 0.52 -1.26 -4.91 118.94 110.60 1z4j s TRP 76 Ca -0.13 0.55 -0.10 0.00 0.02 0.00 0.00 56.10 56.43 1z4j s TRP 76 Cb 0.11 -4.24 0.31 0.00 -1.15 0.00 0.00 33.47 28.49 1z4j s TRP 76 CO 0.71 -1.22 1.66 0.28 0.02 0.00 0.00 176.95 178.41 1z4j h VAL 77 N 6.17 0.49 -0.00 4.03 2.07 -1.94 -2.50 116.25 124.57 1z4j h VAL 77 Ca -0.24 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 1z4j h VAL 77 Cb 1.07 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1z4j h VAL 77 CO 1.09 0.02 -0.36 0.77 0.02 0.00 0.00 177.57 179.11 1z4j h SER 78 N 0.13 0.01 -0.38 0.57 4.64 -1.91 -1.82 113.55 114.78 1z4j h SER 78 Ca 0.33 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.59 1z4j h SER 78 Cb 0.54 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1z4j h SER 78 CO -0.53 0.37 0.00 -0.33 -0.87 0.00 0.00 176.83 175.47 1z4j h GLU 79 N 0.01 0.68 -0.44 4.77 5.08 -1.84 0.92 114.58 123.75 1z4j h GLU 79 Ca -0.00 -0.22 -0.14 0.00 -1.00 0.00 0.00 59.36 58.00 1z4j h GLU 79 Cb 0.65 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1z4j h GLU 79 CO 0.05 0.77 -0.28 0.37 -1.00 0.00 0.00 179.01 178.92 1z4j h GLN 80 N 0.50 0.97 -0.35 2.33 4.15 -1.33 -2.48 115.11 118.89 1z4j h GLN 80 Ca 0.11 -0.45 -0.05 0.00 0.77 0.00 0.00 58.65 59.03 1z4j h GLN 80 Cb 0.47 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1z4j h GLN 80 CO 0.02 1.12 0.01 1.88 -1.93 0.00 0.00 178.83 179.92 1z4j h TYR 81 N 0.82 0.56 -0.53 3.99 0.05 -1.25 -2.11 116.97 118.50 1z4j h TYR 81 Ca 0.09 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 1z4j h TYR 81 Cb 0.86 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.41 1z4j h TYR 81 CO 0.06 0.55 0.25 0.78 -1.05 0.00 0.00 178.16 178.74 1z4j h GLY 82 N 0.84 0.81 2.00 3.88 0.00 -0.54 -2.03 103.07 108.03 1z4j h GLY 82 Ca 0.11 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 46.92 1z4j h GLY 82 CO 0.01 0.36 -0.70 -0.09 0.00 0.00 0.00 176.54 176.12 1z4j h ARG 83 N 0.75 0.00 -0.35 4.80 2.43 -1.06 -3.27 114.38 117.68 1z4j h ARG 83 Ca 0.19 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.21 1z4j h ARG 83 Cb 0.10 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1z4j h ARG 83 CO -0.02 0.70 -0.37 1.25 -1.51 0.00 0.00 179.97 180.02 1z4j h LEU 84 N 0.00 0.93 -7.00 3.80 5.85 -0.71 -3.46 115.31 114.72 1z4j h LEU 84 Ca -0.01 -0.47 0.10 0.00 0.84 0.00 0.00 57.88 58.34 1z4j h LEU 84 Cb 1.26 -0.26 -0.20 0.00 0.37 0.00 0.00 40.66 41.83 1z4j h LEU 84 CO 0.09 1.21 0.54 0.00 -0.34 0.00 0.00 178.44 179.94 1z4j s ARG 85 N -4.36 0.67 0.18 1.25 1.70 -1.02 -5.10 118.95 112.26 1z4j s ARG 85 Ca -0.11 -0.04 -0.33 0.00 -0.47 0.00 0.00 55.73 54.78 1z4j s ARG 85 Cb 0.10 0.31 -0.15 0.00 -0.57 0.00 0.00 34.95 34.64 1z4j s ARG 85 CO 0.87 -0.25 1.20 -2.30 -1.08 0.00 0.00 175.30 173.74 1z4j n PRO 86 N 0.31 1.27 0.00 3.89 -0.02 -1.26 -2.06 135.00 137.13 1z4j n PRO 86 Ca -0.09 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1z4j n PRO 86 Cb 0.59 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1z4j n PRO 86 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1z4j n GLY 87 N 2.05 2.71 0.15 -1.23 0.00 -1.26 -4.90 105.19 102.72 1z4j n GLY 87 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 1z4j n GLY 87 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1z4j h LEU 88 N 0.00 0.00 -0.13 0.99 5.85 -1.66 -2.60 115.31 117.76 1z4j h LEU 88 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1z4j h LEU 88 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1z4j h LEU 88 CO 0.00 0.45 0.09 -1.28 -0.34 0.00 0.00 178.44 177.36 1z4j h SER 89 N 0.00 0.15 -0.41 1.25 0.87 -1.77 -0.41 113.55 113.23 1z4j h SER 89 Ca -0.00 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 1z4j h SER 89 Cb 1.26 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.17 1z4j h SER 89 CO 0.06 0.11 -0.14 -0.33 -0.53 0.00 0.00 176.83 176.00 1z4j h GLU 90 N 0.18 0.89 -0.49 2.24 3.07 -1.89 -0.77 114.58 117.80 1z4j h GLU 90 Ca 0.05 -0.32 -0.09 0.00 -0.50 0.00 0.00 59.36 58.50 1z4j h GLU 90 Cb -0.02 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 1z4j h GLU 90 CO -0.01 0.97 -0.03 0.87 -1.40 0.00 0.00 179.01 179.41 1z4j h LYS 91 N 0.79 0.89 -0.13 2.33 1.57 -1.35 -1.87 116.57 118.80 1z4j h LYS 91 Ca 0.12 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1z4j h LYS 91 Cb 0.66 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1z4j h LYS 91 CO 0.05 0.94 0.05 0.00 -0.57 0.00 0.00 179.45 179.91 1z4j h ALA 92 N 0.92 0.15 -0.76 3.86 0.00 -0.69 -2.60 119.26 120.14 1z4j h ALA 92 Ca 0.14 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1z4j h ALA 92 Cb 0.55 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1z4j h ALA 92 CO 0.03 -0.40 0.50 0.82 0.00 0.00 0.00 179.25 180.20 1z4j h ILE 93 N 0.11 1.02 0.00 0.00 2.04 -1.05 -1.47 117.51 118.17 1z4j h ILE 93 Ca 0.06 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1z4j h ILE 93 Cb 0.03 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1z4j h ILE 93 CO -0.06 0.15 -0.03 0.77 0.00 0.00 0.00 178.15 178.98 1z4j h SER 94 N 0.81 0.00 0.17 1.72 4.64 -0.93 -1.31 113.55 118.64 1z4j h SER 94 Ca 0.33 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.64 1z4j h SER 94 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1z4j h SER 94 CO -0.11 0.03 -0.08 0.40 -0.87 0.00 0.00 176.83 176.19 1z4j h ILE 95 N 0.00 0.95 0.00 0.95 1.08 -1.19 -3.01 117.51 116.29 1z4j h ILE 95 Ca -0.00 -0.88 0.00 0.00 -0.39 0.00 0.00 64.86 63.59 1z4j h ILE 95 Cb 0.14 1.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 1z4j h ILE 95 CO 0.00 0.19 0.00 4.11 -0.69 0.00 0.00 178.15 181.77 1z4j h TRP 96 N -0.68 0.00 0.00 1.37 0.09 -1.50 -2.64 115.95 112.59 1z4j h TRP 96 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.96 1z4j h TRP 96 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.73 1z4j h TRP 96 CO 0.06 0.00 0.00 0.39 0.09 0.00 0.00 178.44 178.98 1z4j n GLU 97 N -2.38 0.21 -2.53 0.12 1.02 -0.53 -4.76 120.64 111.78 1z4j n GLU 97 Ca 0.05 0.30 -0.38 0.00 -0.02 0.00 0.00 57.16 57.10 1z4j n GLU 97 Cb 0.42 -1.80 -0.04 0.00 -0.02 0.00 0.00 31.44 29.99 1z4j n GLU 97 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1z4j s SER 98 N -4.25 7.05 0.27 1.62 0.01 -1.00 -4.91 113.70 112.49 1z4j s SER 98 Ca 0.08 2.13 -0.29 0.00 1.31 0.00 0.00 55.95 59.18 1z4j s SER 98 Cb 0.11 -2.60 -0.14 0.00 0.21 0.00 0.00 66.02 63.59 1z4j s SER 98 CO 0.49 -0.29 1.03 1.17 0.41 0.00 0.00 173.24 176.05 1z4j n LYS 99 N 0.58 1.32 -0.79 12.44 4.81 -1.26 -2.30 118.16 132.96 1z4j n LYS 99 Ca 0.02 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1z4j n LYS 99 Cb 0.47 -1.85 0.00 0.00 0.02 0.00 0.00 35.03 33.67 1z4j n LYS 99 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1z4j n ASN 100 N 1.37 0.00 0.29 3.14 3.02 -1.26 -4.92 115.26 116.90 1z4j n ASN 100 Ca 0.11 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.49 1z4j n ASN 100 Cb 0.31 -0.79 -0.08 0.00 -0.61 0.00 0.00 39.78 38.60 1z4j n ASN 100 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1z4j h PHE 101 N 0.00 -0.64 -0.41 3.10 3.57 -1.75 -1.79 116.94 119.02 1z4j h PHE 101 Ca 0.00 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.35 1z4j h PHE 101 Cb 0.00 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1z4j h PHE 101 CO 0.00 -0.40 -0.28 0.74 -2.23 0.00 0.00 178.31 176.15 1z4j h PHE 102 N -0.68 1.01 -0.35 0.41 0.04 -1.86 -3.09 116.94 112.42 1z4j h PHE 102 Ca -0.07 -0.26 -0.07 0.00 2.80 0.00 0.00 57.97 60.37 1z4j h PHE 102 Cb 0.53 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 1z4j h PHE 102 CO -0.04 1.05 -0.06 0.35 -0.60 0.00 0.00 178.31 179.00 1z4j h PHE 103 N 0.74 0.62 -0.02 -0.55 3.57 -1.77 -2.77 116.94 116.75 1z4j h PHE 103 Ca 0.09 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1z4j h PHE 103 Cb 0.84 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1z4j h PHE 103 CO 0.05 0.63 0.00 0.39 -2.23 0.00 0.00 178.31 177.15 1z4j n GLU 104 N -4.22 1.51 -1.78 1.11 1.02 -0.68 -4.86 120.64 112.74 1z4j n GLU 104 Ca 0.01 -0.75 -0.41 0.00 -0.02 0.00 0.00 57.16 55.99 1z4j n GLU 104 Cb 0.30 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.24 1z4j n GLU 104 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1z4j s LEU 105 N -1.95 4.32 0.21 -4.62 1.43 -1.05 -4.98 118.68 112.04 1z4j s LEU 105 Ca 0.39 3.03 -0.28 0.00 -1.03 0.00 0.00 54.13 56.24 1z4j s LEU 105 Cb 0.21 -3.66 -0.09 0.00 0.03 0.00 0.00 46.19 42.69 1z4j s LEU 105 CO 0.33 -0.90 0.87 -1.61 0.23 0.00 0.00 176.35 175.27 1z4j s GLU 106 N -1.47 4.73 0.57 1.70 0.41 -1.26 -4.82 118.70 118.55 1z4j s GLU 106 Ca 0.57 1.34 -0.20 0.00 -0.41 0.00 0.00 54.97 56.27 1z4j s GLU 106 Cb -0.47 -3.27 -0.04 0.00 -1.78 0.00 0.00 34.13 28.57 1z4j s GLU 106 CO 0.57 0.54 1.29 -2.14 -0.49 0.00 0.00 175.26 175.04 1z4j s PRO 107 N -1.18 3.05 0.56 0.39 0.02 -1.26 -0.27 135.00 136.31 1z4j s PRO 107 Ca 0.39 2.06 -0.18 0.00 0.02 0.00 0.00 61.00 63.29 1z4j s PRO 107 Cb -0.25 -2.12 -0.05 0.00 0.02 0.00 0.00 34.50 32.11 1z4j s PRO 107 CO 0.29 -1.21 1.09 -0.51 -0.33 0.00 0.00 177.00 176.33 1z4j s LEU 108 N -3.76 3.65 0.14 -5.54 1.43 -0.05 -4.72 118.68 109.83 1z4j s LEU 108 Ca 0.74 2.01 -0.35 0.00 -1.03 0.00 0.00 54.13 55.50 1z4j s LEU 108 Cb -0.36 -4.56 -0.15 0.00 0.03 0.00 0.00 46.19 41.15 1z4j s LEU 108 CO 0.41 -1.18 1.50 -2.65 0.23 0.00 0.00 176.35 174.66 1z4j n PRO 109 N -1.59 1.83 -0.12 1.29 -0.02 -1.26 -1.86 135.00 133.27 1z4j n PRO 109 Ca 0.10 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1z4j n PRO 109 Cb 0.52 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1z4j n PRO 109 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1z4j n GLY 110 N 3.12 2.73 0.16 -1.23 0.00 -1.26 -4.43 105.19 104.29 1z4j n GLY 110 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1z4j n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1z4j h ALA 111 N 0.00 0.33 -0.29 4.61 0.00 -1.69 -0.79 119.26 121.42 1z4j h ALA 111 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1z4j h ALA 111 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1z4j h ALA 111 CO 0.00 0.17 -0.08 0.28 0.00 0.00 0.00 179.25 179.62 1z4j h VAL 112 N 0.20 1.28 -0.47 0.00 2.07 -1.90 -1.29 116.25 116.15 1z4j h VAL 112 Ca 0.05 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 1z4j h VAL 112 Cb 0.60 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1z4j h VAL 112 CO 0.03 0.36 0.24 -0.33 0.02 0.00 0.00 177.57 177.89 1z4j h GLU 113 N 0.34 0.67 -0.26 1.57 3.07 -1.94 -0.93 114.58 117.10 1z4j h GLU 113 Ca 0.07 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1z4j h GLU 113 Cb 0.57 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1z4j h GLU 113 CO 0.03 0.55 0.04 0.00 -1.40 0.00 0.00 179.01 178.23 1z4j h ALA 114 N 1.09 0.35 -0.50 3.43 0.00 -0.99 -1.68 119.26 120.95 1z4j h ALA 114 Ca 0.16 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1z4j h ALA 114 Cb 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1z4j h ALA 114 CO -0.02 0.03 -0.12 0.28 0.00 0.00 0.00 179.25 179.42 1z4j h VAL 115 N 0.25 1.27 -0.59 0.00 2.07 -1.13 0.11 116.25 118.22 1z4j h VAL 115 Ca 0.08 -1.26 0.06 0.00 0.82 0.00 0.00 66.70 66.40 1z4j h VAL 115 Cb 0.33 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 1z4j h VAL 115 CO 0.01 0.44 0.30 0.11 0.02 0.00 0.00 177.57 178.45 1z4j h LYS 116 N 0.85 0.55 -0.42 1.57 1.57 -1.11 -0.85 116.57 118.73 1z4j h LYS 116 Ca 0.13 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1z4j h LYS 116 Cb 0.67 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1z4j h LYS 116 CO 0.05 0.36 -0.07 1.49 -0.57 0.00 0.00 179.45 180.72 1z4j h GLU 117 N 0.57 0.79 -0.52 3.15 4.81 -0.98 -2.70 114.58 119.69 1z4j h GLU 117 Ca 0.27 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1z4j h GLU 117 Cb 0.20 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1z4j h GLU 117 CO -0.19 0.89 0.28 1.98 -0.73 0.00 0.00 179.01 181.25 1z4j h MET 118 N 0.61 0.73 -0.15 1.92 4.05 -0.47 -2.46 114.93 119.17 1z4j h MET 118 Ca 0.11 -0.09 -0.08 0.00 -0.28 0.00 0.00 59.70 59.37 1z4j h MET 118 Cb 0.58 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 1z4j h MET 118 CO 0.03 0.57 -0.25 0.00 0.23 0.00 0.00 176.91 177.50 1z4j h ALA 119 N 1.12 1.31 0.00 0.39 0.00 -1.12 -2.41 119.26 118.55 1z4j h ALA 119 Ca 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1z4j h ALA 119 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1z4j h ALA 119 CO -0.03 0.47 0.00 -1.13 0.00 0.00 0.00 179.25 178.56 1z4j n SER 120 N -4.16 0.49 -4.77 0.00 3.41 -0.95 -4.84 113.62 102.81 1z4j n SER 120 Ca -0.01 0.60 -0.39 0.00 -0.26 0.00 0.00 58.87 58.81 1z4j n SER 120 Cb 0.36 -0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 1z4j n SER 120 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1z4j s LEU 121 N -4.05 4.27 0.45 1.04 1.43 -0.91 -4.98 118.68 115.94 1z4j s LEU 121 Ca 0.07 2.42 -0.24 0.00 -1.03 0.00 0.00 54.13 55.34 1z4j s LEU 121 Cb 0.11 -3.91 -0.09 0.00 0.03 0.00 0.00 46.19 42.33 1z4j s LEU 121 CO 0.41 -0.61 1.20 0.00 0.23 0.00 0.00 176.35 177.58 1z4j n GLN 122 N 0.31 1.68 -3.24 1.70 1.13 -1.26 -3.19 117.38 114.52 1z4j n GLN 122 Ca 0.03 0.60 -0.23 0.00 -1.94 0.00 0.00 57.00 55.46 1z4j n GLN 122 Cb 0.45 -2.31 0.03 0.00 0.11 0.00 0.00 30.24 28.52 1z4j n GLN 122 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1z4j n ASN 123 N 0.04 -5.34 -3.68 1.08 3.02 -1.26 -4.96 115.26 104.16 1z4j n ASN 123 Ca 0.08 -0.37 -0.18 0.00 -0.03 0.00 0.00 54.58 54.07 1z4j n ASN 123 Cb 0.41 -4.32 -0.17 0.00 -0.61 0.00 0.00 39.78 35.08 1z4j n ASN 123 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1z4j s THR 124 N -3.13 -0.16 -0.13 3.41 2.01 -1.19 -1.20 115.64 115.25 1z4j s THR 124 Ca 0.38 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.77 1z4j s THR 124 Cb -0.18 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 1z4j s THR 124 CO 0.47 0.16 -0.15 -1.81 -0.69 0.00 0.00 174.62 172.61 1z4j s ASP 125 N 2.13 3.85 -0.12 3.53 1.01 0.06 -4.72 116.67 122.41 1z4j s ASP 125 Ca 0.03 -0.38 0.01 0.00 0.71 0.00 0.00 52.55 52.92 1z4j s ASP 125 Cb -0.12 -1.58 -0.01 0.00 1.01 0.00 0.00 42.92 42.22 1z4j s ASP 125 CO -0.04 0.15 -0.15 -0.69 0.21 0.00 0.00 175.17 174.65 1z4j s VAL 126 N 0.43 2.89 0.05 -1.27 1.01 -1.26 -1.06 120.40 121.19 1z4j s VAL 126 Ca -0.11 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.24 1z4j s VAL 126 Cb -0.16 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1z4j s VAL 126 CO 0.05 0.53 -0.25 -0.36 0.00 0.00 0.00 175.10 175.08 1z4j s PHE 127 N 0.32 2.37 -0.26 5.22 0.40 -0.55 -4.82 117.98 120.66 1z4j s PHE 127 Ca -0.12 -0.38 -0.13 0.00 -0.60 0.00 0.00 56.93 55.70 1z4j s PHE 127 Cb -0.16 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 1z4j s PHE 127 CO 0.06 0.16 0.28 0.42 0.70 0.00 0.00 175.22 176.84 1z4j s ILE 128 N -0.84 5.25 -0.20 0.64 1.01 0.34 -0.27 121.20 127.13 1z4j s ILE 128 Ca 0.12 0.39 0.01 0.00 0.00 0.00 0.00 60.65 61.18 1z4j s ILE 128 Cb -0.10 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.78 1z4j s ILE 128 CO 0.03 0.23 -0.17 0.00 0.00 0.00 0.00 174.94 175.03 1z4j s THR 130 N 1.26 0.08 -0.14 0.00 -1.32 -0.67 -3.42 115.64 111.43 1z4j s THR 130 Ca 0.02 -0.63 -0.06 0.00 -1.21 0.00 0.00 61.69 59.82 1z4j s THR 130 Cb -0.15 -0.38 -0.04 0.00 -1.51 0.00 0.00 72.50 70.42 1z4j s THR 130 CO -0.10 -0.34 0.06 -0.44 -2.21 0.00 0.00 174.62 171.58 1z4j s SER 131 N -1.21 5.66 0.54 8.08 0.01 -1.23 -1.53 113.70 124.02 1z4j s SER 131 Ca -0.13 0.19 -0.16 0.00 1.31 0.00 0.00 55.95 57.16 1z4j s SER 131 Cb -0.07 -1.83 -0.07 0.00 0.21 0.00 0.00 66.02 64.26 1z4j s SER 131 CO 0.01 0.29 1.00 -2.16 0.41 0.00 0.00 173.24 172.79 1z4j s PRO 132 N -0.34 3.85 1.09 12.44 0.04 -1.26 -4.97 135.00 145.84 1z4j s PRO 132 Ca 0.09 0.95 -0.16 0.00 0.04 0.00 0.00 61.00 61.92 1z4j s PRO 132 Cb -0.12 -2.12 0.23 0.00 0.04 0.00 0.00 34.50 32.53 1z4j s PRO 132 CO 0.02 -0.36 1.12 0.96 0.04 0.00 0.00 177.00 178.77 1z4j s ILE 133 N -2.68 1.82 0.18 0.56 -4.36 -1.26 -4.95 121.20 110.52 1z4j s ILE 133 Ca 0.59 0.00 -0.08 0.00 -0.26 0.00 0.00 60.65 60.90 1z4j s ILE 133 Cb -0.11 -2.54 0.02 0.00 1.25 0.00 0.00 42.46 41.09 1z4j s ILE 133 CO 0.35 0.00 1.59 0.11 0.24 0.00 0.00 174.94 177.23 1z4j h LYS 134 N -2.17 0.92 -6.10 0.37 1.57 -2.01 -3.40 116.57 105.74 1z4j h LYS 134 Ca -0.50 -0.37 -0.59 0.00 -1.87 0.00 0.00 60.65 57.32 1z4j h LYS 134 Cb 1.31 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.50 1z4j h LYS 134 CO 0.47 1.03 0.63 1.41 -0.57 0.00 0.00 179.45 182.42 1z4j s MET 135 N -4.67 3.91 -0.01 3.15 1.75 -1.26 -4.92 119.30 117.26 1z4j s MET 135 Ca -0.10 0.70 0.14 0.00 -1.25 0.00 0.00 55.69 55.18 1z4j s MET 135 Cb 0.13 -3.78 0.41 0.00 2.84 0.00 0.00 34.83 34.43 1z4j s MET 135 CO 0.86 -0.90 1.34 1.97 -0.65 0.00 0.00 175.02 177.64 1z4j n PHE 136 N 6.73 0.64 -0.20 4.11 -1.74 -1.26 -4.49 117.46 121.25 1z4j n PHE 136 Ca 0.08 -0.51 -0.04 0.00 -0.56 0.00 0.00 57.45 56.42 1z4j n PHE 136 Cb 0.48 -0.03 0.06 0.00 1.52 0.00 0.00 39.48 41.51 1z4j n PHE 136 CO 0.00 0.00 0.00 -0.22 -0.56 0.00 0.00 176.76 175.98 1z4j h LYS 137 N 2.69 0.61 0.00 3.97 1.63 -1.95 -3.37 116.57 120.15 1z4j h LYS 137 Ca 0.00 -0.04 -0.14 0.00 -0.85 0.00 0.00 60.65 59.62 1z4j h LYS 137 Cb 0.83 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.30 1z4j h LYS 137 CO 0.01 0.40 -1.53 0.66 -3.45 0.00 0.00 179.45 175.54 1z4j n TYR 138 N -4.81 0.00 0.28 1.91 4.01 -1.26 -4.81 117.16 112.48 1z4j n TYR 138 Ca 0.06 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.64 1z4j n TYR 138 Cb 0.12 -0.37 -0.08 0.00 -0.31 0.00 0.00 39.34 38.70 1z4j n TYR 138 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1z4j h PRO 140 N -0.81 -0.12 -0.42 0.00 0.11 -1.90 -1.59 132.00 127.27 1z4j h PRO 140 Ca -0.07 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.13 1z4j h PRO 140 Cb 0.58 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.64 1z4j h PRO 140 CO 0.11 -0.08 -0.03 -0.92 -0.21 0.00 0.00 178.00 176.88 1z4j h TYR 141 N -0.12 -0.08 0.00 0.65 3.20 -1.80 -2.44 116.97 116.38 1z4j h TYR 141 Ca 0.11 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 1z4j h TYR 141 Cb 0.29 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1z4j h TYR 141 CO -0.28 -0.11 -0.38 0.93 -1.64 0.00 0.00 178.16 176.68 1z4j h GLU 142 N 0.08 0.00 -0.35 1.82 5.08 -0.46 -0.88 114.58 119.86 1z4j h GLU 142 Ca 0.21 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 1z4j h GLU 142 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1z4j h GLU 142 CO -0.37 0.38 -0.06 0.87 -1.00 0.00 0.00 179.01 178.84 1z4j h LYS 143 N 0.00 0.66 -0.49 2.33 1.57 -0.90 0.68 116.57 120.42 1z4j h LYS 143 Ca -0.00 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1z4j h LYS 143 Cb 0.69 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1z4j h LYS 143 CO 0.05 0.81 0.32 1.88 -0.57 0.00 0.00 179.45 181.94 1z4j h TYR 144 N 0.46 0.63 -0.74 -1.35 -1.99 -1.02 -1.63 116.97 111.33 1z4j h TYR 144 Ca 0.09 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.81 1z4j h TYR 144 Cb 0.55 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 39.03 1z4j h TYR 144 CO 0.05 0.41 0.37 0.00 -0.00 0.00 0.00 178.16 178.99 1z4j h ALA 145 N 1.17 1.25 -0.31 3.88 0.00 -0.96 -0.57 119.26 123.71 1z4j h ALA 145 Ca 0.18 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1z4j h ALA 145 Cb -0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1z4j h ALA 145 CO -0.04 0.58 -0.07 2.35 0.00 0.00 0.00 179.25 182.08 1z4j h TRP 146 N 1.05 0.67 -0.64 0.00 7.01 -0.60 -1.08 115.95 122.36 1z4j h TRP 146 Ca 0.26 -0.14 -0.05 0.00 2.11 0.00 0.00 58.89 61.06 1z4j h TRP 146 Cb 0.09 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 1z4j h TRP 146 CO 0.01 0.78 0.19 0.28 -2.79 0.00 0.00 178.44 176.91 1z4j h VAL 147 N 0.37 1.25 -0.51 2.65 2.07 -1.02 -1.46 116.25 119.60 1z4j h VAL 147 Ca 0.08 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.76 1z4j h VAL 147 Cb 0.56 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1z4j h VAL 147 CO 0.03 0.33 0.30 -0.08 0.02 0.00 0.00 177.57 178.17 1z4j h GLU 148 N 0.92 0.58 -0.24 1.57 4.81 -0.92 0.95 114.58 122.26 1z4j h GLU 148 Ca 0.21 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1z4j h GLU 148 Cb 0.30 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1z4j h GLU 148 CO -0.01 0.39 0.15 -0.22 -0.73 0.00 0.00 179.01 178.59 1z4j h LYS 149 N 0.60 0.30 0.00 1.92 3.64 -0.78 -0.43 116.57 121.82 1z4j h LYS 149 Ca 0.21 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.43 1z4j h LYS 149 Cb 0.03 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1z4j h LYS 149 CO -0.10 0.20 -1.46 0.66 -2.27 0.00 0.00 179.45 176.48 1z4j n TYR 150 N -4.94 0.85 0.00 1.91 4.01 -0.59 -4.55 117.16 113.85 1z4j n TYR 150 Ca -0.02 0.28 0.00 0.00 -0.16 0.00 0.00 57.90 57.99 1z4j n TYR 150 Cb 0.04 -1.02 0.00 0.00 -0.31 0.00 0.00 39.34 38.04 1z4j n TYR 150 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1z4j n PHE 151 N -2.80 0.00 0.00 -0.72 3.72 0.32 -5.04 117.46 112.94 1z4j n PHE 151 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1z4j n PHE 151 Cb 0.80 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.34 1z4j n PHE 151 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1z4j n GLY 152 N 1.16 0.29 0.39 1.37 0.00 -0.17 -4.36 105.19 103.86 1z4j n GLY 152 Ca 0.00 -1.73 0.19 0.00 0.00 0.00 0.00 46.02 44.47 1z4j n GLY 152 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1z4j h PRO 153 N 0.00 0.50 0.00 1.61 0.11 -1.89 -2.00 132.00 130.33 1z4j h PRO 153 Ca 0.00 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 1z4j h PRO 153 Cb 0.00 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 1z4j h PRO 153 CO 0.00 0.33 -0.27 -0.44 -0.21 0.00 0.00 178.00 177.41 1z4j h ASP 154 N 0.51 0.00 0.92 -2.05 3.32 -1.96 -2.53 116.42 114.63 1z4j h ASP 154 Ca 0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.60 1z4j h ASP 154 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1z4j h ASP 154 CO -0.28 0.27 0.00 0.33 -1.72 0.00 0.00 179.24 177.84 1z4j n PHE 155 N -3.49 0.71 0.27 4.55 -0.00 -0.75 -2.89 117.46 115.85 1z4j n PHE 155 Ca -0.00 0.25 0.10 0.00 -0.00 0.00 0.00 57.45 57.80 1z4j n PHE 155 Cb 0.43 -0.91 0.73 0.00 -0.00 0.00 0.00 39.48 39.73 1z4j n PHE 155 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1z4j h LEU 156 N 0.00 0.00 -2.09 -2.13 3.38 -1.55 -0.34 115.31 112.58 1z4j h LEU 156 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1z4j h LEU 156 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1z4j h LEU 156 CO 0.00 0.01 0.00 -0.33 0.09 0.00 0.00 178.44 178.21 1z4j h GLU 157 N 0.00 0.00 -0.36 1.13 4.39 -1.74 -2.72 114.58 115.28 1z4j h GLU 157 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1z4j h GLU 157 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1z4j h GLU 157 CO 0.00 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.89 1z4j n GLN 158 N -2.64 2.37 -3.25 2.33 1.13 -0.14 -4.94 117.38 112.25 1z4j n GLN 158 Ca -0.02 -2.07 -0.39 0.00 -1.94 0.00 0.00 57.00 52.59 1z4j n GLN 158 Cb 0.06 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 28.87 1z4j n GLN 158 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1z4j s ILE 159 N -1.54 5.04 -0.24 5.09 1.01 -1.03 -0.51 121.20 129.02 1z4j s ILE 159 Ca 0.38 1.14 0.02 0.00 0.00 0.00 0.00 60.65 62.18 1z4j s ILE 159 Cb 0.22 -3.89 0.06 0.00 0.01 0.00 0.00 42.46 38.86 1z4j s ILE 159 CO 0.31 0.38 -0.09 -0.69 0.00 0.00 0.00 174.94 174.84 1z4j s VAL 160 N 0.16 1.83 -0.30 2.92 1.01 0.57 -4.92 120.40 121.67 1z4j s VAL 160 Ca 0.29 -1.35 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 1z4j s VAL 160 Cb -0.17 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1z4j s VAL 160 CO 0.15 -0.01 0.24 -0.76 0.00 0.00 0.00 175.10 174.71 1z4j s LEU 161 N 1.27 4.17 -0.12 3.92 1.43 -1.26 -1.67 118.68 126.42 1z4j s LEU 161 Ca -0.06 -0.09 -0.24 0.00 -1.03 0.00 0.00 54.13 52.71 1z4j s LEU 161 Cb -0.19 -2.18 0.06 0.00 0.03 0.00 0.00 46.19 43.92 1z4j s LEU 161 CO -0.06 -0.13 0.60 0.28 0.23 0.00 0.00 176.35 177.27 1z4j s THR 162 N 1.81 0.01 -0.55 5.49 -1.32 -0.58 -4.99 115.64 115.50 1z4j s THR 162 Ca 0.08 -0.07 0.24 0.00 -1.21 0.00 0.00 61.69 60.73 1z4j s THR 162 Cb -0.16 -0.88 0.27 0.00 -1.51 0.00 0.00 72.50 70.22 1z4j s THR 162 CO 0.11 -0.04 1.60 0.03 -2.21 0.00 0.00 174.62 174.11 1z4j h ARG 163 N 4.08 0.00 -4.57 7.08 2.47 -1.92 -3.26 114.38 118.25 1z4j h ARG 163 Ca -0.28 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 57.80 1z4j h ARG 163 Cb 1.16 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 29.09 1z4j h ARG 163 CO 0.27 0.00 -0.77 0.34 0.56 0.00 0.00 179.97 180.37 1z4j s ASP 164 N -5.36 4.34 0.10 7.04 -1.08 -1.26 -4.97 116.67 115.49 1z4j s ASP 164 Ca 0.08 -1.58 0.27 0.00 -0.52 0.00 0.00 52.55 50.80 1z4j s ASP 164 Cb 0.09 -1.41 0.88 0.00 -1.46 0.00 0.00 42.92 41.02 1z4j s ASP 164 CO 0.66 -0.28 1.75 0.29 0.52 0.00 0.00 175.17 178.11 1z4j n LYS 165 N 4.48 0.15 0.19 4.34 5.02 -1.26 -3.57 118.16 127.50 1z4j n LYS 165 Ca -0.07 0.10 0.14 0.00 -2.02 0.00 0.00 58.31 56.46 1z4j n LYS 165 Cb 0.43 -1.65 0.41 0.00 -0.02 0.00 0.00 35.03 34.19 1z4j n LYS 165 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1z4j h THR 166 N 0.00 0.00 -0.17 -0.18 1.35 -1.91 -2.62 112.91 109.38 1z4j h THR 166 Ca 0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1z4j h THR 166 Cb 0.63 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1z4j h THR 166 CO 0.00 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.60 1z4j n VAL 167 N -2.73 0.21 -3.59 6.82 0.24 -1.23 -4.64 118.33 113.40 1z4j n VAL 167 Ca 0.03 -0.37 -0.37 0.00 -2.04 0.00 0.00 64.34 61.60 1z4j n VAL 167 Cb 0.40 0.43 -0.09 0.00 -1.47 0.00 0.00 33.84 33.11 1z4j n VAL 167 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1z4j s VAL 168 N -1.79 5.32 -0.07 3.34 1.01 -0.99 -5.08 120.40 122.15 1z4j s VAL 168 Ca 0.33 0.32 -0.11 0.00 0.00 0.00 0.00 61.98 62.53 1z4j s VAL 168 Cb 0.18 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1z4j s VAL 168 CO 0.27 0.33 0.27 -0.94 0.00 0.00 0.00 175.10 175.03 1z4j s SER 169 N 0.98 6.58 0.06 3.32 1.04 -1.26 -4.74 113.70 119.68 1z4j s SER 169 Ca 0.11 0.70 -0.27 0.00 0.48 0.00 0.00 55.95 56.96 1z4j s SER 169 Cb -0.14 -2.16 0.09 0.00 0.10 0.00 0.00 66.02 63.92 1z4j s SER 169 CO 0.05 0.36 1.17 0.00 0.98 0.00 0.00 173.24 175.80 1z4j s ALA 170 N -1.02 -2.03 0.02 5.32 0.00 -1.26 -5.00 121.76 117.79 1z4j s ALA 170 Ca 0.19 0.22 -0.00 0.00 0.00 0.00 0.00 51.96 52.37 1z4j s ALA 170 Cb -0.14 0.61 -0.26 0.00 0.00 0.00 0.00 23.12 23.33 1z4j s ALA 170 CO 0.08 -1.07 0.93 -0.44 0.00 0.00 0.00 175.76 175.26 1z4j h ASP 171 N 2.00 0.30 -4.34 0.00 5.19 -1.33 -2.24 116.42 116.00 1z4j h ASP 171 Ca -0.27 -0.40 -0.31 0.00 -0.62 0.00 0.00 57.03 55.42 1z4j h ASP 171 Cb 1.21 -0.10 -0.25 0.00 0.18 0.00 0.00 39.33 40.37 1z4j h ASP 171 CO 0.30 1.33 -0.75 -0.76 -3.12 0.00 0.00 179.24 176.25 1z4j s LEU 172 N -6.87 2.14 -0.16 1.55 1.43 -1.08 -1.39 118.68 114.29 1z4j s LEU 172 Ca -0.07 -0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1z4j s LEU 172 Cb 0.07 -0.25 0.03 0.00 0.03 0.00 0.00 46.19 46.08 1z4j s LEU 172 CO 0.85 -0.06 -0.09 -0.22 0.23 0.00 0.00 176.35 177.06 1z4j s LEU 173 N -0.88 1.69 -0.36 1.79 2.96 -0.15 -0.84 118.68 122.89 1z4j s LEU 173 Ca -0.03 -0.61 -0.12 0.00 -0.22 0.00 0.00 54.13 53.14 1z4j s LEU 173 Cb -0.06 -1.02 0.01 0.00 0.50 0.00 0.00 46.19 45.61 1z4j s LEU 173 CO 0.00 -0.14 0.23 -0.63 -1.32 0.00 0.00 176.35 174.50 1z4j s ILE 174 N 1.57 5.00 -0.21 6.68 1.01 -0.36 -0.35 121.20 134.54 1z4j s ILE 174 Ca 0.02 -0.53 -0.16 0.00 0.00 0.00 0.00 60.65 59.98 1z4j s ILE 174 Cb -0.14 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.71 1z4j s ILE 174 CO -0.08 -0.14 0.53 -0.62 0.00 0.00 0.00 174.94 174.63 1z4j s ASP 175 N 1.65 -0.62 0.13 3.58 -1.08 -0.81 -1.39 116.67 118.13 1z4j s ASP 175 Ca 0.05 1.11 0.27 0.00 -0.52 0.00 0.00 52.55 53.46 1z4j s ASP 175 Cb -0.18 1.06 0.97 0.00 -1.46 0.00 0.00 42.92 43.32 1z4j s ASP 175 CO 0.09 -0.20 1.82 -0.90 0.52 0.00 0.00 175.17 176.50 1z4j n ASP 176 N 3.46 0.48 -4.67 -0.34 5.75 -1.26 -1.78 116.55 118.18 1z4j n ASP 176 Ca -0.17 0.55 -0.43 0.00 -0.01 0.00 0.00 54.79 54.73 1z4j n ASP 176 Cb 0.56 -0.68 -0.02 0.00 -1.03 0.00 0.00 41.12 39.95 1z4j n ASP 176 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1z4j s ARG 177 N -3.07 4.31 0.14 0.11 3.52 -1.26 -4.77 118.95 117.93 1z4j s ARG 177 Ca 0.11 1.54 -0.16 0.00 -0.13 0.00 0.00 55.73 57.10 1z4j s ARG 177 Cb 0.15 -3.63 0.01 0.00 -1.56 0.00 0.00 34.95 29.91 1z4j s ARG 177 CO 0.55 -0.54 1.73 -1.35 -0.81 0.00 0.00 175.30 174.88 1z4j h PRO 178 N 7.60 0.58 -4.73 5.12 0.11 -1.97 -3.41 132.00 135.30 1z4j h PRO 178 Ca -0.28 -0.08 -0.69 0.00 0.11 0.00 0.00 66.00 65.06 1z4j h PRO 178 Cb 1.12 -0.11 -0.30 0.00 0.11 0.00 0.00 31.00 31.82 1z4j h PRO 178 CO 0.92 0.49 -0.65 -0.51 -0.21 0.00 0.00 178.00 178.05 1z4j s ASP 179 N -5.75 5.09 -0.32 -2.05 1.01 -1.26 -5.04 116.67 108.34 1z4j s ASP 179 Ca -0.13 -1.15 0.02 0.00 0.71 0.00 0.00 52.55 52.00 1z4j s ASP 179 Cb 0.10 -1.80 0.08 0.00 1.01 0.00 0.00 42.92 42.32 1z4j s ASP 179 CO 0.74 -0.28 0.01 -0.63 0.21 0.00 0.00 175.17 175.22 1z4j s ILE 180 N 1.35 2.47 0.33 0.77 1.01 -1.26 -5.09 121.20 120.78 1z4j s ILE 180 Ca -0.03 -1.95 0.03 0.00 0.00 0.00 0.00 60.65 58.70 1z4j s ILE 180 Cb -0.19 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.59 1z4j s ILE 180 CO 0.01 -0.36 0.09 0.42 0.00 0.00 0.00 174.94 175.10 1z4j s THR 181 N 1.04 0.87 -1.64 2.92 -4.23 -1.26 -4.94 115.64 108.40 1z4j s THR 181 Ca 0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1z4j s THR 181 Cb -0.20 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1z4j s THR 181 CO -0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1z4j n GLY 182 N -0.68 -0.60 0.24 3.99 0.00 -1.26 -4.76 105.19 102.13 1z4j n GLY 182 Ca -0.02 -0.65 0.10 0.00 0.00 0.00 0.00 46.02 45.45 1z4j n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1z4j h ALA 183 N 0.00 1.29 -2.33 4.61 0.00 -1.96 -3.39 119.26 117.49 1z4j h ALA 183 Ca 0.00 -0.17 -0.69 0.00 0.00 0.00 0.00 54.91 54.06 1z4j h ALA 183 Cb 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 17.58 1z4j h ALA 183 CO 0.00 0.23 -0.14 -2.00 0.00 0.00 0.00 179.25 177.34 1z4j s GLU 184 N -4.15 3.13 0.47 0.00 2.56 -1.26 -4.96 118.70 114.49 1z4j s GLU 184 Ca -0.02 -0.70 0.25 0.00 0.00 0.00 0.00 54.97 54.50 1z4j s GLU 184 Cb 0.13 -3.97 1.15 0.00 2.00 0.00 0.00 34.13 33.44 1z4j s GLU 184 CO 0.62 -0.90 1.94 -1.00 -0.56 0.00 0.00 175.26 175.36 1z4j h PRO 185 N 8.77 0.00 -2.83 4.30 0.13 -1.94 -3.35 132.00 137.08 1z4j h PRO 185 Ca -0.26 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.26 1z4j h PRO 185 Cb 1.11 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.83 1z4j h PRO 185 CO 0.82 0.19 -0.73 0.95 -0.23 0.00 0.00 178.00 179.00 1z4j s THR 186 N -3.92 1.84 0.61 1.56 -4.23 -1.26 -5.08 115.64 105.17 1z4j s THR 186 Ca -0.01 -3.52 -0.19 0.00 -1.18 0.00 0.00 61.69 56.79 1z4j s THR 186 Cb 0.12 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 1z4j s THR 186 CO 0.62 -1.07 1.16 -2.65 -0.54 0.00 0.00 174.62 172.13 1z4j n PRO 187 N 2.46 1.13 0.16 3.99 -0.02 -1.26 -4.91 135.00 136.55 1z4j n PRO 187 Ca 0.22 0.43 0.04 0.00 -2.02 0.00 0.00 63.50 62.18 1z4j n PRO 187 Cb 0.39 -2.37 0.17 0.00 -0.02 0.00 0.00 33.50 31.67 1z4j n PRO 187 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1z4j h SER 188 N 0.69 0.00 -4.00 2.55 4.64 -1.85 -3.45 113.55 112.14 1z4j h SER 188 Ca -0.50 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.35 1z4j h SER 188 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1z4j h SER 188 CO 0.53 0.43 0.28 -1.66 -0.87 0.00 0.00 176.83 175.54 1z4j s TRP 189 N -3.23 3.42 -0.16 4.77 1.48 -0.84 -4.64 118.94 119.73 1z4j s TRP 189 Ca 0.02 1.37 -0.24 0.00 -1.06 0.00 0.00 56.10 56.19 1z4j s TRP 189 Cb 0.09 -2.70 -0.02 0.00 -1.16 0.00 0.00 33.47 29.68 1z4j s TRP 189 CO 0.71 -0.20 0.79 -2.00 -4.06 0.00 0.00 176.95 172.19 1z4j s GLU 190 N -3.71 4.30 -0.31 3.25 2.12 -0.49 -4.88 118.70 118.98 1z4j s GLU 190 Ca 0.57 0.94 -0.28 0.00 0.36 0.00 0.00 54.97 56.57 1z4j s GLU 190 Cb -0.10 -3.56 0.01 0.00 0.26 0.00 0.00 34.13 30.74 1z4j s GLU 190 CO 0.26 -0.27 1.02 -1.58 -0.54 0.00 0.00 175.26 174.14 1z4j s HIS 191 N 1.96 3.18 -0.26 5.30 5.65 -1.26 -0.97 115.29 128.90 1z4j s HIS 191 Ca 0.37 1.15 -0.10 0.00 0.25 0.00 0.00 55.06 56.73 1z4j s HIS 191 Cb -0.17 -3.56 -0.05 0.00 -1.18 0.00 0.00 32.58 27.63 1z4j s HIS 191 CO 0.13 -0.70 0.16 0.08 -0.65 0.00 0.00 174.74 173.76 1z4j s VAL 192 N 3.47 5.19 -0.21 0.89 1.01 0.53 -4.53 120.40 126.74 1z4j s VAL 192 Ca 0.43 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 1z4j s VAL 192 Cb -0.13 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1z4j s VAL 192 CO 0.14 0.31 1.13 -0.22 0.00 0.00 0.00 175.10 176.46 1z4j s LEU 193 N 1.39 4.12 -0.14 3.92 2.96 -0.31 -1.93 118.68 128.70 1z4j s LEU 193 Ca 0.07 1.48 -0.25 0.00 -0.22 0.00 0.00 54.13 55.21 1z4j s LEU 193 Cb -0.15 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 1z4j s LEU 193 CO 0.07 -0.72 0.80 0.12 -1.32 0.00 0.00 176.35 175.30 1z4j s PHE 194 N 3.36 3.47 0.29 5.38 5.36 -0.74 -0.89 117.98 134.21 1z4j s PHE 194 Ca 0.48 1.26 -0.30 0.00 -0.96 0.00 0.00 56.93 57.42 1z4j s PHE 194 Cb -0.17 -2.96 -0.11 0.00 -0.34 0.00 0.00 43.02 39.44 1z4j s PHE 194 CO 0.10 -0.15 1.51 0.99 -1.46 0.00 0.00 175.22 176.21 1z4j s THR 195 N 1.77 2.32 0.07 0.12 2.01 -0.64 -4.20 115.64 117.09 1z4j s THR 195 Ca 0.38 0.28 -0.05 0.00 0.31 0.00 0.00 61.69 62.61 1z4j s THR 195 Cb -0.17 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 1z4j s THR 195 CO 0.14 0.05 0.08 0.00 -0.69 0.00 0.00 174.62 174.21 1z4j s ALA 196 N -0.23 0.12 0.34 7.40 0.00 -1.26 -4.85 121.76 123.28 1z4j s ALA 196 Ca 0.59 -0.88 0.12 0.00 0.00 0.00 0.00 51.96 51.79 1z4j s ALA 196 Cb -0.45 0.38 0.95 0.00 0.00 0.00 0.00 23.12 23.99 1z4j s ALA 196 CO 0.49 -0.44 1.74 0.00 0.00 0.00 0.00 175.76 177.55 1z4j n HIS 198 N -4.82 0.70 -0.14 0.00 1.44 -1.26 -3.62 115.22 107.52 1z4j n HIS 198 Ca 0.27 0.23 0.00 0.00 -2.01 0.00 0.00 57.72 56.21 1z4j n HIS 198 Cb 0.79 -0.88 0.00 0.00 0.12 0.00 0.00 29.99 30.02 1z4j n HIS 198 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1z4j n ASN 199 N -2.10 0.94 0.27 4.39 0.23 -0.58 -2.81 115.26 115.61 1z4j n ASN 199 Ca 0.04 -1.09 0.16 0.00 -0.53 0.00 0.00 54.58 53.16 1z4j n ASN 199 Cb 0.32 0.00 0.75 0.00 -2.08 0.00 0.00 39.78 38.78 1z4j n ASN 199 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1z4j h GLN 200 N 0.00 0.00 -0.01 -3.83 3.07 -1.40 -1.78 115.11 111.15 1z4j h GLN 200 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1z4j h GLN 200 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.68 1z4j h GLN 200 CO 0.00 0.08 -0.37 0.72 0.09 0.00 0.00 178.83 179.35 1z4j n HIS 201 N -3.31 0.00 -2.38 0.06 8.25 -1.26 -4.96 115.22 111.62 1z4j n HIS 201 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 1z4j n HIS 201 Cb 0.27 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 1z4j n HIS 201 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1z4j s LEU 202 N -2.51 4.33 -0.18 2.41 1.43 -0.67 -5.00 118.68 118.49 1z4j s LEU 202 Ca 0.21 1.99 -0.29 0.00 -1.03 0.00 0.00 54.13 55.02 1z4j s LEU 202 Cb 0.19 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.84 1z4j s LEU 202 CO 0.55 -0.56 1.00 -1.58 0.23 0.00 0.00 176.35 175.99 1z4j s GLN 203 N 1.65 4.32 0.32 1.70 0.74 -1.26 -5.05 119.66 122.08 1z4j s GLN 203 Ca 0.59 1.31 -0.05 0.00 0.05 0.00 0.00 55.36 57.27 1z4j s GLN 203 Cb -0.29 -3.60 -0.05 0.00 1.10 0.00 0.00 33.01 30.17 1z4j s GLN 203 CO 0.27 -0.48 0.59 -0.51 -0.55 0.00 0.00 175.29 174.61 1z4j s LEU 204 N 2.64 3.99 -0.07 3.68 1.43 -1.26 -5.04 118.68 124.06 1z4j s LEU 204 Ca 0.44 0.74 -0.30 0.00 -1.03 0.00 0.00 54.13 53.99 1z4j s LEU 204 Cb -0.16 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.42 1z4j s LEU 204 CO 0.11 -0.26 1.71 -1.10 0.23 0.00 0.00 176.35 177.04 1z4j s GLN 205 N -3.77 4.09 0.26 1.70 -1.52 -1.26 -4.88 119.66 114.28 1z4j s GLN 205 Ca 0.44 2.18 0.10 0.00 -1.95 0.00 0.00 55.36 56.14 1z4j s GLN 205 Cb -0.10 -4.03 0.85 0.00 -0.22 0.00 0.00 33.01 29.51 1z4j s GLN 205 CO 0.32 -0.96 1.19 -2.30 -0.25 0.00 0.00 175.29 173.29 1z4j n PRO 206 N 7.31 -0.05 -0.24 2.91 -0.02 -1.26 -0.48 135.00 143.16 1z4j n PRO 206 Ca 0.18 1.08 0.15 0.00 -2.02 0.00 0.00 63.50 62.88 1z4j n PRO 206 Cb 0.43 -1.84 0.44 0.00 -0.02 0.00 0.00 33.50 32.50 1z4j n PRO 206 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1z4j h PRO 207 N 0.00 0.54 -6.99 0.52 0.11 -2.05 -3.43 132.00 120.70 1z4j h PRO 207 Ca 0.57 -0.03 -0.53 0.00 0.11 0.00 0.00 66.00 66.12 1z4j h PRO 207 Cb 1.41 -0.12 0.09 0.00 0.11 0.00 0.00 31.00 32.49 1z4j h PRO 207 CO -0.63 0.36 0.57 1.03 -0.21 0.00 0.00 178.00 179.12 1z4j s ARG 208 N -5.56 3.70 0.12 1.05 0.52 0.36 -5.03 118.95 114.12 1z4j s ARG 208 Ca -0.09 2.07 0.08 0.00 -0.52 0.00 0.00 55.73 57.26 1z4j s ARG 208 Cb 0.22 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 33.12 1z4j s ARG 208 CO 0.78 -0.69 -0.19 0.50 0.02 0.00 0.00 175.30 175.73 1z4j s ARG 209 N -2.54 1.14 0.11 3.54 3.52 -1.26 -4.87 118.95 118.58 1z4j s ARG 209 Ca 0.62 -1.24 0.08 0.00 -0.13 0.00 0.00 55.73 55.06 1z4j s ARG 209 Cb -0.36 -1.27 -0.04 0.00 -1.56 0.00 0.00 34.95 31.72 1z4j s ARG 209 CO 0.44 0.28 -0.12 1.03 -0.81 0.00 0.00 175.30 176.12 1z4j s ARG 210 N -2.28 2.02 -0.27 5.12 0.52 -1.26 -1.16 118.95 121.64 1z4j s ARG 210 Ca 0.09 -1.08 -0.07 0.00 -0.52 0.00 0.00 55.73 54.15 1z4j s ARG 210 Cb -0.08 -2.24 -0.02 0.00 0.52 0.00 0.00 34.95 33.13 1z4j s ARG 210 CO 0.05 0.50 0.08 -1.17 0.02 0.00 0.00 175.30 174.77 1z4j s LEU 211 N -2.20 3.59 0.30 2.53 2.96 -0.07 -4.86 118.68 120.93 1z4j s LEU 211 Ca 0.20 -0.35 0.19 0.00 -0.22 0.00 0.00 54.13 53.95 1z4j s LEU 211 Cb -0.11 -1.92 0.13 0.00 0.50 0.00 0.00 46.19 44.79 1z4j s LEU 211 CO 0.13 -0.09 1.38 0.45 -1.32 0.00 0.00 176.35 176.90 1z4j h HIS 212 N 8.25 0.00 -1.35 5.38 3.86 -1.95 -1.69 115.15 127.65 1z4j h HIS 212 Ca -0.36 0.00 0.38 0.00 -1.16 0.00 0.00 60.37 59.22 1z4j h HIS 212 Cb 1.16 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.51 1z4j h HIS 212 CO 0.65 0.28 0.95 -1.54 0.86 0.00 0.00 177.93 179.13 1z4j s SER 213 N -6.16 -0.01 0.38 2.45 1.04 -1.26 -4.26 113.70 105.88 1z4j s SER 213 Ca 0.04 -0.06 0.28 0.00 0.48 0.00 0.00 55.95 56.69 1z4j s SER 213 Cb 0.07 0.06 1.11 0.00 0.10 0.00 0.00 66.02 67.36 1z4j s SER 213 CO 0.73 -0.11 1.83 -0.50 0.98 0.00 0.00 173.24 176.17 1z4j h TRP 214 N 2.00 0.00 0.00 5.02 4.06 -1.91 -2.44 115.95 122.68 1z4j h TRP 214 Ca -0.30 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.61 1z4j h TRP 214 Cb 1.19 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.35 1z4j h TRP 214 CO 0.55 0.00 -0.18 0.00 -3.56 0.00 0.00 178.44 175.25 1z4j h ALA 215 N 2.16 0.95 -2.25 1.49 0.00 -1.92 -3.46 119.26 116.23 1z4j h ALA 215 Ca 0.00 -0.16 -0.47 0.00 0.00 0.00 0.00 54.91 54.28 1z4j h ALA 215 Cb 0.47 -0.03 0.18 0.00 0.00 0.00 0.00 17.79 18.41 1z4j h ALA 215 CO 0.00 0.22 0.14 0.34 0.00 0.00 0.00 179.25 179.95 1z4j s ASP 216 N -6.14 2.25 -1.26 0.00 2.15 -0.92 -4.89 116.67 107.87 1z4j s ASP 216 Ca 0.03 1.57 -0.14 0.00 0.43 0.00 0.00 52.55 54.44 1z4j s ASP 216 Cb 0.08 -2.24 0.14 0.00 -0.30 0.00 0.00 42.92 40.60 1z4j s ASP 216 CO 0.64 -3.42 1.60 -0.67 -0.17 0.00 0.00 175.17 173.16 1z4j n ASP 217 N -4.40 5.07 0.04 -0.34 -0.08 -1.26 -4.77 116.55 110.81 1z4j n ASP 217 Ca 0.06 -2.97 -0.02 0.00 -1.51 0.00 0.00 54.79 50.35 1z4j n ASP 217 Cb 0.55 -1.62 0.23 0.00 2.34 0.00 0.00 41.12 42.62 1z4j n ASP 217 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 1z4j h TRP 218 N 7.06 0.47 -0.86 -0.67 5.08 -1.89 -3.00 115.95 122.15 1z4j h TRP 218 Ca 0.38 -0.10 0.02 0.00 1.08 0.00 0.00 58.89 60.27 1z4j h TRP 218 Cb 0.84 -0.12 -0.04 0.00 -3.00 0.00 0.00 29.16 26.83 1z4j h TRP 218 CO 1.23 0.64 0.57 0.87 -1.28 0.00 0.00 178.44 180.47 1z4j h LYS 219 N 0.38 1.10 -0.72 0.12 1.57 -1.99 -1.47 116.57 115.56 1z4j h LYS 219 Ca 0.06 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1z4j h LYS 219 Cb 0.64 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1z4j h LYS 219 CO 0.05 0.73 0.30 0.00 -0.57 0.00 0.00 179.45 179.95 1z4j h ALA 220 N 1.47 1.16 0.04 3.86 0.00 -1.94 0.47 119.26 124.33 1z4j h ALA 220 Ca 0.32 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1z4j h ALA 220 Cb -0.08 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.42 1z4j h ALA 220 CO -0.08 0.61 -0.02 0.82 0.00 0.00 0.00 179.25 180.58 1z4j h ILE 221 N 1.04 0.99 -0.26 0.00 2.04 -1.33 -1.73 117.51 118.27 1z4j h ILE 221 Ca 0.24 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 66.04 1z4j h ILE 221 Cb 0.19 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1z4j h ILE 221 CO -0.02 0.02 0.06 -0.07 0.00 0.00 0.00 178.15 178.15 1z4j h LEU 222 N -0.09 0.05 -1.71 1.44 4.07 -1.02 -2.81 115.31 115.24 1z4j h LEU 222 Ca -0.00 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1z4j h LEU 222 Cb 0.08 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 1z4j h LEU 222 CO 0.01 0.06 0.12 0.44 -1.08 0.00 0.00 178.44 177.99 1z4j h ASP 223 N 0.17 0.28 0.30 -0.43 3.32 -0.82 -1.21 116.42 118.03 1z4j h ASP 223 Ca 0.12 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1z4j h ASP 223 Cb 0.10 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1z4j h ASP 223 CO -0.14 0.23 0.00 0.77 -1.72 0.00 0.00 179.24 178.38 1z4j h SER 224 N 0.32 0.00 -0.01 6.45 4.64 -1.03 -2.60 113.55 121.32 1z4j h SER 224 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1z4j h SER 224 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1z4j h SER 224 CO -0.01 0.00 -0.55 0.29 -0.87 0.00 0.00 176.83 175.69 1z4j n LYS 225 N -2.58 1.18 -2.32 4.77 4.76 -0.46 -5.00 118.16 118.51 1z4j n LYS 225 Ca -0.01 -0.72 -0.29 0.00 -2.87 0.00 0.00 58.31 54.42 1z4j n LYS 225 Cb 0.12 -1.42 0.01 0.00 -1.84 0.00 0.00 35.03 31.91 1z4j n LYS 225 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1z4j s ARG 226 N -2.42 3.46 0.00 1.97 0.52 -0.98 -5.06 118.95 116.44 1z4j s ARG 226 Ca 0.15 0.37 0.24 0.00 -0.52 0.00 0.00 55.73 55.96 1z4j s ARG 226 Cb 0.16 -2.25 1.42 0.00 0.52 0.00 0.00 34.95 34.80 1z4j s ARG 226 CO 0.59 -0.42 1.79 -2.30 0.02 0.00 0.00 175.30 174.97