#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4j s VAL 4 N 0.00 4.83 -0.77 2.41 1.01 -1.26 -5.00 120.40 121.62 3i4j s VAL 4 Ca 0.00 1.47 -0.21 0.00 0.00 0.00 0.00 61.98 63.25 3i4j s VAL 4 Cb 0.00 -4.04 0.10 0.00 0.00 0.00 0.00 36.38 32.43 3i4j s VAL 4 CO 0.00 0.37 1.02 0.12 0.00 0.00 0.00 175.10 176.61 3i4j s PHE 5 N 0.00 2.87 0.62 5.22 5.99 -1.26 -5.02 117.98 126.41 3i4j s PHE 5 Ca 0.36 -0.92 -0.16 0.00 0.00 0.00 0.00 56.93 56.21 3i4j s PHE 5 Cb -0.19 -4.28 -0.02 0.00 0.00 0.00 0.00 43.02 38.53 3i4j s PHE 5 CO 0.20 -1.57 1.10 0.71 -0.00 0.00 0.00 175.22 175.66 3i4j s TYR 6 N 3.45 2.71 0.33 10.12 2.02 -1.26 -4.94 117.35 129.79 3i4j s TYR 6 Ca 0.26 1.54 0.35 0.00 -0.37 0.00 0.00 57.07 58.86 3i4j s TYR 6 Cb -0.12 -3.15 1.68 0.00 -0.40 0.00 0.00 41.96 39.97 3i4j s TYR 6 CO 0.02 -1.53 2.11 0.00 -1.57 0.00 0.00 175.55 174.57 3i4j h ARG 7 N 0.34 0.00 -2.97 -0.62 3.08 -1.96 -3.46 114.38 108.79 3i4j h ARG 7 Ca -0.47 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.58 3i4j h ARG 7 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 3i4j h ARG 7 CO 0.55 0.04 0.29 -1.54 -1.07 0.00 0.00 179.97 178.24 3i4j s SER 8 N -5.65 -0.01 0.00 7.04 1.04 -1.26 -5.04 113.70 109.82 3i4j s SER 8 Ca -0.01 -1.09 0.31 0.00 0.48 0.00 0.00 55.95 55.64 3i4j s SER 8 Cb 0.11 0.82 1.63 0.00 0.10 0.00 0.00 66.02 68.68 3i4j s SER 8 CO 0.52 -1.63 2.10 -1.54 0.98 0.00 0.00 173.24 173.67 3i4j n SER 9 N -1.35 0.04 -4.78 7.02 3.41 -1.26 -4.87 113.62 111.83 3i4j n SER 9 Ca -0.08 -0.46 -0.31 0.00 -0.26 0.00 0.00 58.87 57.77 3i4j n SER 9 Cb 0.60 -0.18 0.08 0.00 -0.26 0.00 0.00 64.21 64.45 3i4j n SER 9 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3i4j s LYS 10 N -2.38 2.36 0.04 4.33 -2.85 -1.26 -4.97 119.74 115.02 3i4j s LYS 10 Ca 0.35 1.10 -0.30 0.00 -1.00 0.00 0.00 55.97 56.11 3i4j s LYS 10 Cb 0.21 -1.91 -0.05 0.00 -2.06 0.00 0.00 37.83 34.02 3i4j s LYS 10 CO 0.43 -1.55 1.08 -1.25 0.10 0.00 0.00 175.35 174.16 3i4j s PRO 11 N -4.94 4.52 -0.29 1.78 0.04 -1.26 -5.02 135.00 129.83 3i4j s PRO 11 Ca 0.61 1.59 -0.07 0.00 0.04 0.00 0.00 61.00 63.16 3i4j s PRO 11 Cb -0.16 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 30.98 3i4j s PRO 11 CO 0.56 -0.11 0.09 0.71 0.04 0.00 0.00 177.00 178.28 3i4j s TYR 12 N 0.89 3.14 0.54 0.56 2.02 -1.26 -5.08 117.35 118.16 3i4j s TYR 12 Ca 0.54 -0.86 -0.21 0.00 -0.37 0.00 0.00 57.07 56.17 3i4j s TYR 12 Cb -0.25 -2.26 -0.05 0.00 -0.40 0.00 0.00 41.96 38.99 3i4j s TYR 12 CO 0.29 -0.54 1.28 -2.14 -1.57 0.00 0.00 175.55 172.87 3i4j s PRO 13 N 1.53 3.24 -0.43 -1.71 0.02 -1.26 -4.96 135.00 131.43 3i4j s PRO 13 Ca 0.03 2.04 -0.17 0.00 0.02 0.00 0.00 61.00 62.92 3i4j s PRO 13 Cb -0.17 -2.22 0.03 0.00 0.02 0.00 0.00 34.50 32.16 3i4j s PRO 13 CO 0.03 -1.05 0.42 0.08 -0.33 0.00 0.00 177.00 176.15 3i4j s VAL 14 N -1.42 5.11 0.32 3.83 1.01 -1.26 -5.02 120.40 122.98 3i4j s VAL 14 Ca 0.71 -0.46 -0.28 0.00 0.00 0.00 0.00 61.98 61.95 3i4j s VAL 14 Cb -0.36 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 31.89 3i4j s VAL 14 CO 0.41 -0.44 1.11 0.00 0.00 0.00 0.00 175.10 176.18 3i4j s ALA 15 N 2.05 3.32 0.00 5.51 0.00 -1.26 -0.43 121.76 130.95 3i4j s ALA 15 Ca 0.10 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.95 3i4j s ALA 15 Cb -0.18 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3i4j s ALA 15 CO 0.12 -0.24 0.00 1.33 0.00 0.00 0.00 175.76 176.97 3i4j n VAL 16 N 0.79 0.00 -3.65 0.00 0.24 -0.11 -4.83 118.33 110.76 3i4j n VAL 16 Ca 0.01 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 3i4j n VAL 16 Cb 0.46 0.27 -0.07 0.00 -1.47 0.00 0.00 33.84 33.02 3i4j n VAL 16 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3i4j s ARG 17 N -1.44 0.84 -0.05 7.34 3.52 -1.08 -5.02 118.95 123.05 3i4j s ARG 17 Ca 0.00 0.03 -0.00 0.00 -0.13 0.00 0.00 55.73 55.63 3i4j s ARG 17 Cb 0.00 0.38 0.03 0.00 -1.56 0.00 0.00 34.95 33.80 3i4j s ARG 17 CO 0.00 -0.24 -0.01 0.20 -0.81 0.00 0.00 175.30 174.44 3i4j s GLY 18 N -1.21 0.41 -0.18 8.12 0.00 -1.26 -0.37 107.32 112.83 3i4j s GLY 18 Ca -0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 44.72 44.53 3i4j s GLY 18 CO 0.07 0.86 0.02 -0.54 0.00 0.00 0.00 173.10 173.51 3i4j s GLU 19 N 1.51 0.73 7.86 2.90 2.02 0.08 -2.97 118.70 130.84 3i4j s GLU 19 Ca -0.02 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.59 3i4j s GLU 19 Cb -0.13 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.13 3i4j s GLU 19 CO -0.03 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.08 3i4j n GLY 20 N 5.04 3.58 0.99 -1.39 0.00 -0.22 -1.37 105.19 111.83 3i4j n GLY 20 Ca -0.09 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 45.96 3i4j n GLY 20 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i4j n VAL 21 N 0.00 0.67 -4.22 1.61 0.24 -1.26 -0.01 118.33 115.36 3i4j n VAL 21 Ca 0.00 -0.70 -0.29 0.00 -2.04 0.00 0.00 64.34 61.30 3i4j n VAL 21 Cb 0.00 0.43 -0.09 0.00 -1.47 0.00 0.00 33.84 32.70 3i4j n VAL 21 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3i4j s PHE 22 N -1.33 2.77 0.07 6.34 0.08 -0.47 -0.00 117.98 125.43 3i4j s PHE 22 Ca 0.37 -0.14 0.08 0.00 0.12 0.00 0.00 56.93 57.35 3i4j s PHE 22 Cb 0.19 -1.43 -0.03 0.00 -0.57 0.00 0.00 43.02 41.18 3i4j s PHE 22 CO 0.26 0.45 -0.22 -0.51 -0.10 0.00 0.00 175.22 175.09 3i4j s LEU 23 N -2.32 2.22 -0.03 -0.37 1.43 0.10 -0.74 118.68 118.98 3i4j s LEU 23 Ca 0.23 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 3i4j s LEU 23 Cb -0.11 -1.01 -0.00 0.00 0.03 0.00 0.00 46.19 45.10 3i4j s LEU 23 CO 0.15 0.14 -0.14 -0.31 0.23 0.00 0.00 176.35 176.43 3i4j s TYR 24 N -0.93 1.36 0.56 0.29 2.02 0.50 -0.31 117.35 120.85 3i4j s TYR 24 Ca 0.08 -0.37 0.09 0.00 -0.37 0.00 0.00 57.07 56.50 3i4j s TYR 24 Cb -0.09 -0.93 0.07 0.00 -0.40 0.00 0.00 41.96 40.60 3i4j s TYR 24 CO 0.03 -0.13 0.69 0.16 -1.57 0.00 0.00 175.55 174.73 3i4j s ASP 25 N 0.09 4.99 0.00 2.29 1.47 -0.75 -0.94 116.67 123.82 3i4j s ASP 25 Ca -0.03 -0.94 0.00 0.00 1.18 0.00 0.00 52.55 52.76 3i4j s ASP 25 Cb -0.10 0.31 0.00 0.00 -0.34 0.00 0.00 42.92 42.79 3i4j s ASP 25 CO 0.01 -1.27 0.55 -0.90 0.68 0.00 0.00 175.17 174.25 3i4j n ASP 26 N -2.11 1.35 0.00 2.11 5.75 0.43 -1.23 116.55 122.84 3i4j n ASP 26 Ca 0.11 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.20 3i4j n ASP 26 Cb 0.62 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 3i4j n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i4j n ALA 27 N 0.22 1.92 -0.46 2.12 0.00 -1.26 -4.99 120.51 118.06 3i4j n ALA 27 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3i4j n ALA 27 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 3i4j n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4j n GLY 28 N -0.14 1.87 3.77 0.00 0.00 -0.37 -5.00 105.19 105.32 3i4j n GLY 28 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3i4j n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i4j s ARG 29 N -0.08 3.88 -0.02 1.61 0.52 -1.26 -4.78 118.95 118.82 3i4j s ARG 29 Ca 0.00 2.28 0.05 0.00 -0.52 0.00 0.00 55.73 57.55 3i4j s ARG 29 Cb 0.00 -2.74 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 3i4j s ARG 29 CO 0.00 -0.61 -0.18 0.50 0.02 0.00 0.00 175.30 175.03 3i4j s ARG 30 N -2.29 2.30 0.02 3.54 3.52 -1.26 -1.81 118.95 122.97 3i4j s ARG 30 Ca 0.58 -0.82 0.05 0.00 -0.13 0.00 0.00 55.73 55.40 3i4j s ARG 30 Cb -0.41 -2.25 -0.02 0.00 -1.56 0.00 0.00 34.95 30.71 3i4j s ARG 30 CO 0.53 0.59 -0.14 0.71 -0.81 0.00 0.00 175.30 176.18 3i4j s TYR 31 N -0.75 1.24 -0.23 5.12 2.02 0.58 -4.66 117.35 120.67 3i4j s TYR 31 Ca 0.12 -0.30 -0.16 0.00 -0.37 0.00 0.00 57.07 56.35 3i4j s TYR 31 Cb -0.10 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.66 3i4j s TYR 31 CO 0.01 0.02 0.41 -1.17 -1.57 0.00 0.00 175.55 173.25 3i4j s LEU 32 N -0.82 4.11 -1.32 -1.29 0.20 0.22 -0.72 118.68 119.07 3i4j s LEU 32 Ca 0.03 0.47 -0.17 0.00 0.69 0.00 0.00 54.13 55.15 3i4j s LEU 32 Cb -0.07 -2.52 0.04 0.00 -0.43 0.00 0.00 46.19 43.21 3i4j s LEU 32 CO 0.01 -0.14 1.92 -0.67 -0.29 0.00 0.00 176.35 177.17 3i4j n ASP 33 N 4.85 4.35 0.26 3.68 -0.08 1.00 -0.85 116.55 129.75 3i4j n ASP 33 Ca -0.08 -2.87 0.17 0.00 -1.51 0.00 0.00 54.79 50.51 3i4j n ASP 33 Cb 0.51 -1.69 0.88 0.00 2.34 0.00 0.00 41.12 43.16 3i4j n ASP 33 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3i4j h GLY 34 N 12.22 0.00 -0.06 0.27 0.00 -1.60 -2.54 103.07 111.36 3i4j h GLY 34 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3i4j h GLY 34 CO 1.60 0.00 -0.03 -1.14 0.00 0.00 0.00 176.54 176.97 3i4j n SER 35 N -2.75 2.02 -4.04 0.19 3.41 -1.11 -0.83 113.62 110.52 3i4j n SER 35 Ca -0.01 -2.59 -0.30 0.00 -0.26 0.00 0.00 58.87 55.70 3i4j n SER 35 Cb 0.11 -0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 63.79 3i4j n SER 35 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i4j n SER 36 N -1.00 -2.03 0.00 4.04 7.64 -0.96 0.77 113.62 122.09 3i4j n SER 36 Ca 0.09 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 59.00 3i4j n SER 36 Cb 0.51 -3.10 0.00 0.00 -1.01 0.00 0.00 64.21 60.61 3i4j n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i4j n GLY 37 N -1.72 2.15 2.54 0.23 0.00 -1.26 -1.11 105.19 106.01 3i4j n GLY 37 Ca -0.13 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 3i4j n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4j n ALA 38 N 3.52 3.61 -3.67 4.61 0.00 -1.18 -4.61 120.51 122.79 3i4j n ALA 38 Ca 0.00 -3.75 -0.23 0.00 0.00 0.00 0.00 53.44 49.46 3i4j n ALA 38 Cb 0.00 -0.81 0.06 0.00 0.00 0.00 0.00 19.45 18.69 3i4j n ALA 38 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i4j n LEU 39 N -0.09 -3.26 -0.06 0.00 4.32 0.23 -4.92 117.00 113.23 3i4j n LEU 39 Ca 0.24 -0.70 -0.12 0.00 -0.02 0.00 0.00 56.01 55.41 3i4j n LEU 39 Cb 0.66 -2.83 -0.04 0.00 -1.62 0.00 0.00 43.42 39.59 3i4j n LEU 39 CO 0.28 0.48 -0.88 0.52 -1.22 0.00 0.00 177.39 176.56 3i4j n VAL 40 N -4.52 0.61 -1.33 4.08 0.31 -0.27 -4.26 118.33 112.95 3i4j n VAL 40 Ca -0.14 -0.16 -0.38 0.00 -0.01 0.00 0.00 64.34 63.65 3i4j n VAL 40 Cb 0.61 -1.60 -0.02 0.00 -0.91 0.00 0.00 33.84 31.92 3i4j n VAL 40 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i4j n ALA 41 N -3.45 6.03 0.16 3.52 0.00 -0.76 -3.67 120.51 122.33 3i4j n ALA 41 Ca -0.22 -3.37 0.09 0.00 0.00 0.00 0.00 53.44 49.95 3i4j n ALA 41 Cb 0.66 -3.40 0.60 0.00 0.00 0.00 0.00 19.45 17.31 3i4j n ALA 41 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3i4j h ASN 42 N 5.84 0.11 -0.45 0.00 4.21 -1.88 -2.81 115.58 120.60 3i4j h ASN 42 Ca 0.67 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.18 3i4j h ASN 42 Cb 0.41 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.59 3i4j h ASN 42 CO 1.78 0.08 0.00 2.30 -1.29 0.00 0.00 177.43 180.30 3i4j n ILE 43 N -4.50 1.40 0.00 2.81 -5.35 -1.26 -0.24 119.36 112.21 3i4j n ILE 43 Ca 0.01 -1.20 0.00 0.00 -0.27 0.00 0.00 62.75 61.29 3i4j n ILE 43 Cb 0.17 0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 3i4j n ILE 43 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i4j n GLY 44 N 0.62 -0.34 3.93 3.28 0.00 -1.06 -4.77 105.19 106.84 3i4j n GLY 44 Ca 0.18 -1.74 -0.27 0.00 0.00 0.00 0.00 46.02 44.20 3i4j n GLY 44 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i4j s HIS 45 N -2.10 3.48 -0.36 1.61 0.09 0.99 -4.59 115.29 114.41 3i4j s HIS 45 Ca 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 55.06 55.38 3i4j s HIS 45 Cb 0.00 -1.83 0.00 0.00 -0.00 0.00 0.00 32.58 30.75 3i4j s HIS 45 CO 0.00 0.38 0.00 0.41 -0.00 0.00 0.00 174.74 175.53 3i4j n GLY 46 N -0.74 0.40 3.56 -2.22 0.00 -1.16 -1.05 105.19 103.98 3i4j n GLY 46 Ca -0.05 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 3i4j n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i4j s ARG 47 N -3.41 2.96 0.44 1.61 1.81 -1.26 -4.83 118.95 116.27 3i4j s ARG 47 Ca 0.00 0.58 0.16 0.00 -1.72 0.00 0.00 55.73 54.75 3i4j s ARG 47 Cb 0.00 -4.27 1.01 0.00 -0.45 0.00 0.00 34.95 31.24 3i4j s ARG 47 CO 0.00 -2.34 1.97 0.00 -0.68 0.00 0.00 175.30 174.24 3i4j h ALA 48 N 13.09 1.56 -0.57 2.13 0.00 -1.99 -2.66 119.26 130.82 3i4j h ALA 48 Ca -0.27 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.47 3i4j h ALA 48 Cb 1.13 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3i4j h ALA 48 CO 1.19 0.27 0.34 1.49 0.00 0.00 0.00 179.25 182.54 3i4j h GLU 49 N 0.00 0.64 -0.27 0.00 4.81 -2.00 0.97 114.58 118.73 3i4j h GLU 49 Ca -0.00 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 3i4j h GLU 49 Cb 0.40 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3i4j h GLU 49 CO 0.03 0.42 -0.13 0.28 -0.73 0.00 0.00 179.01 178.88 3i4j h VAL 50 N 0.66 1.30 -0.76 0.32 2.07 -1.84 -2.59 116.25 115.40 3i4j h VAL 50 Ca 0.23 -1.22 0.07 0.00 0.82 0.00 0.00 66.70 66.59 3i4j h VAL 50 Cb 0.05 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 3i4j h VAL 50 CO -0.11 0.39 0.44 1.23 0.02 0.00 0.00 177.57 179.54 3i4j h GLY 51 N 0.31 1.13 1.13 2.17 0.00 -1.12 -0.86 103.07 105.83 3i4j h GLY 51 Ca 0.06 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 3i4j h GLY 51 CO 0.04 0.19 0.26 0.83 0.00 0.00 0.00 176.54 177.86 3i4j h GLU 52 N 0.80 1.10 -0.39 4.80 4.39 -0.74 -0.74 114.58 123.80 3i4j h GLU 52 Ca 0.34 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 3i4j h GLU 52 Cb 0.21 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3i4j h GLU 52 CO -0.19 0.91 -0.13 0.00 -1.16 0.00 0.00 179.01 178.44 3i4j h ARG 53 N 1.06 0.70 -0.34 2.33 2.47 -0.94 -0.85 114.38 118.81 3i4j h ARG 53 Ca 0.24 -0.23 -0.15 0.00 -1.26 0.00 0.00 59.98 58.58 3i4j h ARG 53 Cb 0.25 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.50 3i4j h ARG 53 CO -0.02 0.80 -0.38 0.52 0.56 0.00 0.00 179.97 181.45 3i4j h MET 54 N 0.63 0.85 -0.56 0.04 2.86 -0.77 -2.21 114.93 115.78 3i4j h MET 54 Ca 0.11 -0.47 -0.01 0.00 -2.06 0.00 0.00 59.70 57.27 3i4j h MET 54 Cb 0.59 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 3i4j h MET 54 CO 0.04 1.11 0.30 0.00 1.06 0.00 0.00 176.91 179.42 3i4j h ALA 55 N 0.73 0.72 -0.83 6.32 0.00 -0.89 -0.53 119.26 124.78 3i4j h ALA 55 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3i4j h ALA 55 Cb 0.98 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3i4j h ALA 55 CO 0.09 0.24 0.39 0.00 0.00 0.00 0.00 179.25 179.97 3i4j h ALA 56 N 1.14 1.07 -0.23 0.00 0.00 -1.08 -1.75 119.26 118.41 3i4j h ALA 56 Ca 0.20 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3i4j h ALA 56 Cb 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3i4j h ALA 56 CO -0.03 0.64 -0.42 0.37 0.00 0.00 0.00 179.25 179.80 3i4j h GLN 57 N 1.18 0.55 -0.50 0.00 5.75 -1.02 -1.93 115.11 119.13 3i4j h GLN 57 Ca 0.28 -0.29 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 3i4j h GLN 57 Cb 0.13 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 3i4j h GLN 57 CO -0.03 0.87 0.03 0.00 -2.65 0.00 0.00 178.83 177.05 3i4j h ALA 58 N 1.09 1.11 0.00 3.38 0.00 -0.74 0.72 119.26 124.83 3i4j h ALA 58 Ca 0.03 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3i4j h ALA 58 Cb 0.93 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3i4j h ALA 58 CO 0.08 0.57 -0.46 0.00 0.00 0.00 0.00 179.25 179.45 3i4j h ALA 59 N 1.26 0.80 0.00 0.00 0.00 -1.17 -3.34 119.26 116.81 3i4j h ALA 59 Ca 0.15 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 3i4j h ALA 59 Cb 0.42 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3i4j h ALA 59 CO 0.01 0.57 -0.98 -2.13 0.00 0.00 0.00 179.25 176.72 3i4j n ARG 60 N -3.35 0.51 -3.21 0.00 3.00 -0.74 -4.94 116.66 107.93 3i4j n ARG 60 Ca 0.01 0.50 0.01 0.00 -0.00 0.00 0.00 57.85 58.37 3i4j n ARG 60 Cb 0.64 -1.68 -0.01 0.00 0.00 0.00 0.00 32.46 31.41 3i4j n ARG 60 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3i4j s LEU 61 N -8.01 -1.51 0.16 6.15 2.96 0.22 -5.06 118.68 113.59 3i4j s LEU 61 Ca -0.23 -0.72 0.01 0.00 -0.22 0.00 0.00 54.13 52.97 3i4j s LEU 61 Cb 0.05 1.94 0.00 0.00 0.50 0.00 0.00 46.19 48.68 3i4j s LEU 61 CO 0.39 -0.18 1.38 1.55 -1.32 0.00 0.00 176.35 178.17 3i4j h PRO 62 N 7.09 0.26 -2.72 0.98 0.13 -1.65 -3.42 132.00 132.66 3i4j h PRO 62 Ca 0.04 -0.27 -0.12 0.00 -0.87 0.00 0.00 66.00 64.79 3i4j h PRO 62 Cb 1.18 0.07 -0.25 0.00 0.13 0.00 0.00 31.00 32.13 3i4j h PRO 62 CO 0.11 0.97 -0.25 0.12 -0.23 0.00 0.00 178.00 178.72 3i4j s PHE 63 N -3.30 -0.48 -0.06 1.56 5.36 -1.26 -3.66 117.98 116.13 3i4j s PHE 63 Ca -0.04 1.14 -0.13 0.00 -0.96 0.00 0.00 56.93 56.94 3i4j s PHE 63 Cb 0.10 0.18 0.03 0.00 -0.34 0.00 0.00 43.02 42.98 3i4j s PHE 63 CO 0.83 -0.24 0.31 0.14 -1.46 0.00 0.00 175.22 174.81 3i4j s VAL 64 N 0.46 0.03 -0.06 3.12 -7.23 -1.26 -5.04 120.40 110.42 3i4j s VAL 64 Ca -0.02 -0.28 -0.20 0.00 -1.81 0.00 0.00 61.98 59.67 3i4j s VAL 64 Cb -0.04 -0.55 -0.05 0.00 0.56 0.00 0.00 36.38 36.31 3i4j s VAL 64 CO -0.02 -0.15 0.56 -2.28 -0.31 0.00 0.00 175.10 172.89 3i4j s HIS 65 N -0.70 3.59 0.66 2.82 2.46 -1.26 -4.76 115.29 118.10 3i4j s HIS 65 Ca -0.08 1.07 0.37 0.00 0.47 0.00 0.00 55.06 56.90 3i4j s HIS 65 Cb -0.04 -2.61 2.05 0.00 -0.13 0.00 0.00 32.58 31.85 3i4j s HIS 65 CO 0.03 0.23 2.17 0.78 -2.47 0.00 0.00 174.74 175.48 3i4j h GLY 66 N 6.29 0.00 1.98 1.59 0.00 -1.75 0.63 103.07 111.81 3i4j h GLY 66 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3i4j h GLY 66 CO 0.73 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.13 3i4j n SER 67 N -3.07 0.00 -0.03 0.19 3.41 -1.26 -4.11 113.62 108.75 3i4j n SER 67 Ca -0.02 0.48 -0.05 0.00 -0.26 0.00 0.00 58.87 59.02 3i4j n SER 67 Cb 0.22 -0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 63.65 3i4j n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i4j n GLN 68 N -1.49 0.13 -4.01 4.33 6.02 0.12 -5.10 117.38 117.37 3i4j n GLN 68 Ca 0.07 0.04 -0.08 0.00 -0.01 0.00 0.00 57.00 57.02 3i4j n GLN 68 Cb 0.30 -0.96 -0.09 0.00 1.02 0.00 0.00 30.24 30.51 3i4j n GLN 68 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3i4j s PHE 69 N -2.11 0.39 0.24 1.08 0.08 -0.62 -5.04 117.98 111.99 3i4j s PHE 69 Ca -0.08 -0.88 0.03 0.00 0.12 0.00 0.00 56.93 56.13 3i4j s PHE 69 Cb 0.02 -0.28 0.03 0.00 -0.57 0.00 0.00 43.02 42.23 3i4j s PHE 69 CO 0.12 -0.41 0.25 0.45 -0.10 0.00 0.00 175.22 175.52 3i4j n SER 70 N 0.19 1.35 -3.87 1.36 2.88 -1.26 -4.08 113.62 110.19 3i4j n SER 70 Ca -0.15 -1.73 -0.10 0.00 -1.33 0.00 0.00 58.87 55.56 3i4j n SER 70 Cb 0.61 -0.09 -0.09 0.00 -0.75 0.00 0.00 64.21 63.89 3i4j n SER 70 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3i4j s SER 71 N -2.42 0.05 0.36 -3.46 1.04 -1.26 -5.04 113.70 102.97 3i4j s SER 71 Ca 0.19 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.30 3i4j s SER 71 Cb -0.01 0.25 0.66 0.00 0.10 0.00 0.00 66.02 67.02 3i4j s SER 71 CO 0.12 -0.49 2.02 -2.24 0.98 0.00 0.00 173.24 173.62 3i4j h ASP 72 N 3.73 0.70 -0.02 7.02 2.03 -2.01 -0.99 116.42 126.88 3i4j h ASP 72 Ca -0.32 -0.02 -0.12 0.00 -0.73 0.00 0.00 57.03 55.84 3i4j h ASP 72 Cb 1.19 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.50 3i4j h ASP 72 CO 0.46 0.51 -0.36 -0.37 -1.03 0.00 0.00 179.24 178.45 3i4j h VAL 73 N 0.83 1.29 -0.25 4.15 -1.51 -1.96 -0.56 116.25 118.24 3i4j h VAL 73 Ca 0.22 -1.49 -0.10 0.00 -1.23 0.00 0.00 66.70 64.11 3i4j h VAL 73 Cb -0.09 1.51 -0.00 0.00 -2.13 0.00 0.00 31.29 30.58 3i4j h VAL 73 CO -0.05 0.47 -0.23 0.25 -1.23 0.00 0.00 177.57 176.78 3i4j h LEU 74 N 0.43 0.64 -0.58 4.19 5.85 -1.76 0.70 115.31 124.78 3i4j h LEU 74 Ca 0.04 -0.47 0.04 0.00 0.84 0.00 0.00 57.88 58.33 3i4j h LEU 74 Cb 0.83 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3i4j h LEU 74 CO 0.07 0.97 0.34 -0.33 -0.34 0.00 0.00 178.44 179.15 3i4j h GLU 75 N 0.31 0.64 0.09 1.25 4.39 -1.04 0.88 114.58 121.09 3i4j h GLU 75 Ca 0.04 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i4j h GLU 75 Cb 0.78 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 3i4j h GLU 75 CO 0.06 0.42 -0.04 1.49 -1.16 0.00 0.00 179.01 179.78 3i4j h GLU 76 N 0.66 -0.11 -0.46 2.33 4.81 -0.99 -3.13 114.58 117.68 3i4j h GLU 76 Ca 0.24 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 3i4j h GLU 76 Cb 0.08 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3i4j h GLU 76 CO -0.13 0.20 0.29 -0.92 -0.73 0.00 0.00 179.01 177.72 3i4j h TYR 77 N -0.42 0.55 -0.55 0.92 3.20 -0.65 -1.77 116.97 118.25 3i4j h TYR 77 Ca -0.01 0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.97 3i4j h TYR 77 Cb 0.36 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 38.37 3i4j h TYR 77 CO 0.03 0.34 0.13 0.00 -1.64 0.00 0.00 178.16 177.01 3i4j h ALA 78 N 1.18 0.65 -0.32 1.82 0.00 -0.88 0.32 119.26 122.04 3i4j h ALA 78 Ca 0.17 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3i4j h ALA 78 Cb -0.04 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3i4j h ALA 78 CO -0.05 -0.29 -0.01 0.78 0.00 0.00 0.00 179.25 179.67 3i4j h GLY 79 N 0.27 0.61 0.99 0.00 0.00 -1.45 -1.42 103.07 102.08 3i4j h GLY 79 Ca 0.28 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3i4j h GLY 79 CO -0.35 0.43 0.29 3.21 0.00 0.00 0.00 176.54 180.11 3i4j h ARG 80 N 0.36 0.66 -0.15 4.80 2.47 -0.61 -2.02 114.38 119.90 3i4j h ARG 80 Ca 0.09 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 3i4j h ARG 80 Cb 0.47 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 3i4j h ARG 80 CO 0.02 0.48 0.02 1.25 0.56 0.00 0.00 179.97 182.30 3i4j h LEU 81 N 0.64 0.23 -0.67 3.04 5.85 -0.35 -1.82 115.31 122.24 3i4j h LEU 81 Ca 0.17 -0.26 0.10 0.00 0.84 0.00 0.00 57.88 58.73 3i4j h LEU 81 Cb -0.00 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 3i4j h LEU 81 CO -0.03 0.44 0.29 0.00 -0.34 0.00 0.00 178.44 178.80 3i4j h ALA 82 N 0.80 0.90 -0.43 1.25 0.00 -1.13 -2.19 119.26 118.46 3i4j h ALA 82 Ca 0.04 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3i4j h ALA 82 Cb 0.31 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3i4j h ALA 82 CO 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 179.25 178.97 3i4j h ARG 83 N 0.50 0.88 -0.31 0.00 3.08 -1.27 -0.20 114.38 117.06 3i4j h ARG 83 Ca 0.33 -0.36 0.03 0.00 0.07 0.00 0.00 59.98 60.05 3i4j h ARG 83 Cb 0.39 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 3i4j h ARG 83 CO -0.29 1.01 0.12 0.35 -1.07 0.00 0.00 179.97 180.08 3i4j h PHE 84 N 0.71 0.21 0.00 3.04 3.57 -0.75 -2.38 116.94 121.33 3i4j h PHE 84 Ca 0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3i4j h PHE 84 Cb 0.72 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.41 3i4j h PHE 84 CO 0.05 0.10 0.00 1.33 -2.23 0.00 0.00 178.31 177.56 3i4j n VAL 85 N -5.01 0.00 -1.61 1.41 0.24 -0.88 -4.83 118.33 107.66 3i4j n VAL 85 Ca -0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 3i4j n VAL 85 Cb 0.10 -0.33 -0.01 0.00 -1.47 0.00 0.00 33.84 32.13 3i4j n VAL 85 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i4j n GLY 86 N 0.79 0.41 2.56 7.63 0.00 -0.90 -4.66 105.19 111.02 3i4j n GLY 86 Ca 0.15 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 3i4j n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i4j n LEU 87 N -0.33 2.77 -0.09 0.99 4.77 -0.12 -4.97 117.00 120.03 3i4j n LEU 87 Ca -0.03 -4.91 0.26 0.00 -0.03 0.00 0.00 56.01 51.30 3i4j n LEU 87 Cb 0.32 0.06 0.69 0.00 -2.33 0.00 0.00 43.42 42.17 3i4j n LEU 87 CO 0.04 2.12 1.24 1.55 -1.33 0.00 0.00 177.39 181.00 3i4j h PRO 88 N 2.90 0.00 -0.01 3.23 0.13 -1.78 -1.31 132.00 135.16 3i4j h PRO 88 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3i4j h PRO 88 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3i4j h PRO 88 CO 0.66 0.00 -0.47 0.25 -0.23 0.00 0.00 178.00 178.21 3i4j n THR 89 N -3.79 0.00 -1.91 1.56 -2.24 -1.26 -4.72 114.28 101.93 3i4j n THR 89 Ca 0.16 -0.20 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 3i4j n THR 89 Cb 0.96 1.02 0.03 0.00 -2.10 0.00 0.00 70.33 70.24 3i4j n THR 89 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3i4j s PHE 90 N -2.53 2.82 -0.20 4.78 0.40 -0.50 -4.30 117.98 118.45 3i4j s PHE 90 Ca 0.19 1.53 -0.09 0.00 -0.60 0.00 0.00 56.93 57.95 3i4j s PHE 90 Cb 0.18 -3.08 -0.05 0.00 0.51 0.00 0.00 43.02 40.58 3i4j s PHE 90 CO 0.59 -1.39 0.12 1.03 0.70 0.00 0.00 175.22 176.26 3i4j s ARG 91 N -4.09 4.13 -0.27 0.44 1.81 0.25 -4.84 118.95 116.39 3i4j s ARG 91 Ca 0.65 -0.25 -0.16 0.00 -1.72 0.00 0.00 55.73 54.25 3i4j s ARG 91 Cb -0.18 -3.38 -0.03 0.00 -0.45 0.00 0.00 34.95 30.91 3i4j s ARG 91 CO 0.39 0.28 0.43 0.12 -0.68 0.00 0.00 175.30 175.84 3i4j s PHE 92 N 0.41 3.25 -0.41 -0.53 5.36 -1.26 -0.64 117.98 124.16 3i4j s PHE 92 Ca 0.07 0.49 -0.09 0.00 -0.96 0.00 0.00 56.93 56.44 3i4j s PHE 92 Cb -0.11 -2.63 0.07 0.00 -0.34 0.00 0.00 43.02 40.00 3i4j s PHE 92 CO -0.01 -0.25 0.25 -0.46 -1.46 0.00 0.00 175.22 173.28 3i4j s TRP 93 N 2.17 3.33 0.05 10.12 -0.11 0.06 -4.97 118.94 129.59 3i4j s TRP 93 Ca 0.17 -1.47 -0.21 0.00 1.22 0.00 0.00 56.10 55.81 3i4j s TRP 93 Cb -0.16 -2.88 -0.06 0.00 -1.50 0.00 0.00 33.47 28.87 3i4j s TRP 93 CO 0.10 -0.82 0.63 0.00 -4.62 0.00 0.00 176.95 172.23 3i4j s ALA 94 N 1.44 3.50 0.17 5.86 0.00 -1.26 -1.32 121.76 130.15 3i4j s ALA 94 Ca 0.03 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.13 3i4j s ALA 94 Cb -0.22 -2.77 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 3i4j s ALA 94 CO 0.03 0.24 0.15 1.33 0.00 0.00 0.00 175.76 177.51 3i4j n VAL 95 N 2.29 0.00 -0.01 0.00 0.24 0.06 -3.46 118.33 117.44 3i4j n VAL 95 Ca -0.07 -1.25 0.03 0.00 -2.04 0.00 0.00 64.34 61.02 3i4j n VAL 95 Cb 0.51 0.63 -0.12 0.00 -1.47 0.00 0.00 33.84 33.38 3i4j n VAL 95 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3i4j n SER 96 N -2.31 0.32 -4.03 -1.34 7.64 -1.26 -1.25 113.62 111.39 3i4j n SER 96 Ca 0.04 0.13 -0.09 0.00 1.01 0.00 0.00 58.87 59.96 3i4j n SER 96 Cb 0.31 1.12 -0.08 0.00 -1.01 0.00 0.00 64.21 64.55 3i4j n SER 96 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3i4j s GLY 97 N -4.79 0.65 0.24 0.23 0.00 -1.26 -2.94 107.32 99.45 3i4j s GLY 97 Ca -0.06 -1.12 -0.07 0.00 0.00 0.00 0.00 44.72 43.47 3i4j s GLY 97 CO 0.85 -1.07 1.91 -1.33 0.00 0.00 0.00 173.10 173.46 3i4j h GLY 98 N 2.72 1.30 0.98 0.20 0.00 -1.89 -1.83 103.07 104.56 3i4j h GLY 98 Ca -0.33 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.49 3i4j h GLY 98 CO 0.54 0.46 0.23 1.76 0.00 0.00 0.00 176.54 179.54 3i4j h SER 99 N 1.24 0.74 -0.92 0.19 0.02 -1.97 0.20 113.55 113.05 3i4j h SER 99 Ca 0.34 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3i4j h SER 99 Cb -0.13 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.18 3i4j h SER 99 CO -0.08 0.69 0.55 -0.33 -1.14 0.00 0.00 176.83 176.53 3i4j h GLU 100 N 0.74 1.26 -0.47 3.45 5.08 -1.91 -0.37 114.58 122.36 3i4j h GLU 100 Ca 0.18 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 3i4j h GLU 100 Cb 0.17 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3i4j h GLU 100 CO -0.02 0.88 -0.02 0.00 -1.00 0.00 0.00 179.01 178.85 3i4j h ALA 101 N 1.33 0.63 -0.23 3.43 0.00 -0.82 -0.83 119.26 122.78 3i4j h ALA 101 Ca 0.33 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3i4j h ALA 101 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3i4j h ALA 101 CO -0.06 0.45 0.02 1.15 0.00 0.00 0.00 179.25 180.81 3i4j h THR 102 N 0.69 1.24 -0.45 0.00 2.02 -0.62 -1.44 112.91 114.34 3i4j h THR 102 Ca 0.13 -0.83 -0.04 0.00 0.77 0.00 0.00 66.41 66.44 3i4j h THR 102 Cb 0.53 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 3i4j h THR 102 CO 0.03 0.26 0.10 -0.33 0.37 0.00 0.00 175.52 175.95 3i4j h GLU 103 N 0.18 0.68 -0.66 6.66 4.39 -1.02 -1.89 114.58 122.92 3i4j h GLU 103 Ca 0.07 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 3i4j h GLU 103 Cb 0.37 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 3i4j h GLU 103 CO 0.01 0.63 0.23 0.77 -1.16 0.00 0.00 179.01 179.49 3i4j h SER 104 N 0.66 0.94 -0.63 1.42 0.02 -0.91 -0.90 113.55 114.15 3i4j h SER 104 Ca 0.15 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3i4j h SER 104 Cb 0.26 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 3i4j h SER 104 CO -0.00 0.88 0.36 0.00 -1.14 0.00 0.00 176.83 176.93 3i4j h ALA 105 N 1.10 0.80 -0.31 3.77 0.00 -0.63 -0.13 119.26 123.85 3i4j h ALA 105 Ca 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3i4j h ALA 105 Cb 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3i4j h ALA 105 CO -0.01 0.29 0.02 0.28 0.00 0.00 0.00 179.25 179.83 3i4j h VAL 106 N 0.85 1.25 -0.53 0.00 2.07 -1.12 -1.34 116.25 117.43 3i4j h VAL 106 Ca 0.22 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.87 3i4j h VAL 106 Cb 0.00 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3i4j h VAL 106 CO -0.04 0.29 0.32 0.50 0.02 0.00 0.00 177.57 178.67 3i4j h LYS 107 N 0.34 0.63 -0.57 1.57 3.11 -0.89 -1.86 116.57 118.90 3i4j h LYS 107 Ca 0.09 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.87 3i4j h LYS 107 Cb 0.40 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.47 3i4j h LYS 107 CO 0.01 0.41 0.28 1.25 -2.81 0.00 0.00 179.45 178.60 3i4j h LEU 108 N 0.65 0.74 -0.67 5.20 5.85 -0.89 0.39 115.31 126.58 3i4j h LEU 108 Ca 0.21 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3i4j h LEU 108 Cb 0.01 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3i4j h LEU 108 CO -0.09 0.66 0.42 0.00 -0.34 0.00 0.00 178.44 179.09 3i4j h ALA 109 N 1.11 0.85 -0.03 1.25 0.00 -0.89 0.46 119.26 122.01 3i4j h ALA 109 Ca 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3i4j h ALA 109 Cb 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3i4j h ALA 109 CO -0.03 0.31 -0.00 -0.09 0.00 0.00 0.00 179.25 179.44 3i4j h ARG 110 N 0.91 0.06 -0.91 0.00 9.65 -1.05 -3.12 114.38 119.91 3i4j h ARG 110 Ca 0.24 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.13 3i4j h ARG 110 Cb -0.05 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.47 3i4j h ARG 110 CO -0.05 0.36 0.60 0.37 2.80 0.00 0.00 179.97 184.05 3i4j h GLN 111 N -0.24 1.12 -0.39 0.20 4.15 -0.71 -2.52 115.11 116.72 3i4j h GLN 111 Ca 0.01 -0.07 0.08 0.00 0.77 0.00 0.00 58.65 59.44 3i4j h GLN 111 Cb 0.34 -0.25 -0.08 0.00 0.21 0.00 0.00 27.48 27.69 3i4j h GLN 111 CO 0.00 0.74 -0.15 -0.92 -1.93 0.00 0.00 178.83 176.58 3i4j h TYR 112 N 1.16 -0.35 -0.13 3.99 3.20 -0.85 0.18 116.97 124.17 3i4j h TYR 112 Ca 0.35 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 62.13 3i4j h TYR 112 Cb -0.02 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3i4j h TYR 112 CO -0.00 -0.23 -0.50 0.45 -1.64 0.00 0.00 178.16 176.25 3i4j h HIS 113 N -0.07 0.42 -0.57 -3.82 3.86 -1.48 -2.80 115.15 110.69 3i4j h HIS 113 Ca 0.19 -0.14 -0.09 0.00 -1.16 0.00 0.00 60.37 59.18 3i4j h HIS 113 Cb 0.36 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 3i4j h HIS 113 CO -0.39 0.77 0.01 0.28 0.86 0.00 0.00 177.93 179.46 3i4j h VAL 114 N 0.27 1.26 -0.14 2.45 2.07 -0.97 0.73 116.25 121.93 3i4j h VAL 114 Ca 0.01 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 3i4j h VAL 114 Cb 0.97 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3i4j h VAL 114 CO 0.08 0.40 -0.15 -0.33 0.02 0.00 0.00 177.57 177.59 3i4j h GLU 115 N 0.89 0.22 -0.08 1.57 4.39 -0.89 -2.09 114.58 118.60 3i4j h GLU 115 Ca 0.16 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3i4j h GLU 115 Cb 0.54 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3i4j h GLU 115 CO 0.03 0.38 0.00 0.54 -1.16 0.00 0.00 179.01 178.80 3i4j n ARG 116 N -4.26 1.34 -1.64 2.33 1.74 -1.04 -4.90 116.66 110.23 3i4j n ARG 116 Ca -0.01 -0.51 -0.00 0.00 -0.77 0.00 0.00 57.85 56.56 3i4j n ARG 116 Cb 0.28 -1.34 -0.00 0.00 -1.02 0.00 0.00 32.46 30.38 3i4j n ARG 116 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i4j n GLY 117 N 0.95 0.37 2.54 -0.13 0.00 -0.78 -4.99 105.19 103.15 3i4j n GLY 117 Ca 0.15 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 3i4j n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i4j n GLU 118 N -1.73 2.26 0.01 1.61 1.02 0.22 -4.90 120.64 119.14 3i4j n GLU 118 Ca -0.00 -4.31 0.05 0.00 -0.02 0.00 0.00 57.16 52.88 3i4j n GLU 118 Cb 0.32 -2.00 0.22 0.00 -0.02 0.00 0.00 31.44 29.96 3i4j n GLU 118 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3i4j n PRO 119 N 0.40 0.02 0.25 3.49 -0.04 -1.26 -2.31 135.00 135.55 3i4j n PRO 119 Ca 0.28 0.37 0.16 0.00 -0.04 0.00 0.00 63.50 64.27 3i4j n PRO 119 Cb 0.47 -1.54 0.63 0.00 -0.04 0.00 0.00 33.50 33.01 3i4j n PRO 119 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3i4j h GLY 120 N 1.48 0.00 -7.17 0.55 0.00 -1.91 -3.40 103.07 92.62 3i4j h GLY 120 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 3i4j h GLY 120 CO 0.00 0.00 0.58 0.50 0.00 0.00 0.00 176.54 177.62 3i4j s ARG 121 N -3.59 3.25 0.00 4.80 0.52 -0.98 -4.15 118.95 118.80 3i4j s ARG 121 Ca 0.02 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 3i4j s ARG 121 Cb 0.09 -4.12 0.00 0.00 0.52 0.00 0.00 34.95 31.44 3i4j s ARG 121 CO 0.53 -1.63 0.00 1.97 0.02 0.00 0.00 175.30 176.18 3i4j n PHE 122 N 7.65 0.00 -2.35 -0.53 1.16 -0.37 -4.40 117.46 118.62 3i4j n PHE 122 Ca -0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.18 3i4j n PHE 122 Cb 0.47 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.31 3i4j n PHE 122 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3i4j s LYS 123 N -0.73 4.39 -0.29 3.97 1.02 -0.35 -4.59 119.74 123.16 3i4j s LYS 123 Ca 0.00 1.88 0.03 0.00 0.02 0.00 0.00 55.97 57.90 3i4j s LYS 123 Cb 0.00 -2.98 0.07 0.00 -0.52 0.00 0.00 37.83 34.41 3i4j s LYS 123 CO 0.00 -0.04 -0.05 0.08 -0.92 0.00 0.00 175.35 174.42 3i4j s VAL 124 N -1.26 2.15 0.08 3.17 1.01 0.63 0.12 120.40 126.30 3i4j s VAL 124 Ca 0.50 -1.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.32 3i4j s VAL 124 Cb -0.33 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 3i4j s VAL 124 CO 0.42 -0.24 1.05 -0.63 0.00 0.00 0.00 175.10 175.70 3i4j s ILE 125 N 1.06 4.37 0.31 2.22 1.01 0.11 -4.01 121.20 126.27 3i4j s ILE 125 Ca -0.02 1.83 0.04 0.00 0.00 0.00 0.00 60.65 62.50 3i4j s ILE 125 Cb -0.20 -4.17 -0.06 0.00 0.01 0.00 0.00 42.46 38.04 3i4j s ILE 125 CO -0.06 0.21 0.03 0.42 0.00 0.00 0.00 174.94 175.54 3i4j s THR 126 N 0.52 1.30 -0.04 2.92 -4.23 -1.04 -0.70 115.64 114.37 3i4j s THR 126 Ca 0.52 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 59.07 3i4j s THR 126 Cb -0.25 -2.70 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 3i4j s THR 126 CO 0.30 -0.09 -0.23 -0.60 -0.54 0.00 0.00 174.62 173.46 3i4j s ARG 127 N -3.85 2.33 0.34 3.99 3.52 -1.26 -0.46 118.95 123.56 3i4j s ARG 127 Ca 0.34 -0.87 -0.29 0.00 -0.13 0.00 0.00 55.73 54.78 3i4j s ARG 127 Cb 0.08 -2.15 -0.11 0.00 -1.56 0.00 0.00 34.95 31.20 3i4j s ARG 127 CO 0.14 0.52 1.53 0.08 -0.81 0.00 0.00 175.30 176.76 3i4j s VAL 128 N -0.50 2.09 -0.27 7.11 1.01 -0.13 -0.28 120.40 129.42 3i4j s VAL 128 Ca 0.07 0.08 0.12 0.00 0.00 0.00 0.00 61.98 62.25 3i4j s VAL 128 Cb -0.11 -3.05 0.66 0.00 0.00 0.00 0.00 36.38 33.87 3i4j s VAL 128 CO 0.01 0.02 1.63 -0.81 0.00 0.00 0.00 175.10 175.95 3i4j n PRO 129 N 1.22 3.34 0.00 2.72 -0.04 -1.26 -3.78 135.00 137.20 3i4j n PRO 129 Ca 0.04 -3.04 0.00 0.00 -0.04 0.00 0.00 63.50 60.46 3i4j n PRO 129 Cb 0.39 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 3i4j n PRO 129 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3i4j n SER 130 N -0.33 0.00 -0.09 3.54 7.64 0.61 -4.89 113.62 120.10 3i4j n SER 130 Ca 0.32 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.99 3i4j n SER 130 Cb 1.17 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 64.24 3i4j n SER 130 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i4j n ARG 148 N 0.00 0.66 0.23 1.43 1.74 -1.26 -4.93 116.66 114.54 3i4j n ARG 148 Ca 0.00 0.24 0.13 0.00 -0.77 0.00 0.00 57.85 57.45 3i4j n ARG 148 Cb 0.00 -1.59 0.71 0.00 -1.02 0.00 0.00 32.46 30.56 3i4j n ARG 148 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 3i4j h GLU 149 N -0.23 0.00 0.00 5.56 9.09 -2.09 0.11 114.58 127.02 3i4j h GLU 149 Ca -0.54 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.87 3i4j h GLU 149 Cb 1.84 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.94 3i4j h GLU 149 CO -0.11 0.00 -0.36 1.28 0.05 0.00 0.00 179.01 179.88 3i4j n LEU 150 N -2.49 0.54 -0.06 3.06 4.77 -1.26 -4.07 117.00 117.49 3i4j n LEU 150 Ca -0.02 0.29 0.02 0.00 -0.03 0.00 0.00 56.01 56.27 3i4j n LEU 150 Cb 0.16 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 3i4j n LEU 150 CO 0.12 -0.02 0.11 -1.22 -1.33 0.00 0.00 177.39 175.04 3i4j n TYR 151 N -1.87 0.00 0.29 -1.77 4.01 0.36 -4.67 117.16 113.51 3i4j n TYR 151 Ca 0.05 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.93 3i4j n TYR 151 Cb 0.39 0.00 0.87 0.00 -0.31 0.00 0.00 39.34 40.29 3i4j n TYR 151 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i4j h THR 152 N 0.28 0.59 0.00 -0.72 1.03 -1.60 -2.17 112.91 110.31 3i4j h THR 152 Ca 0.00 -0.05 -0.00 0.00 -0.01 0.00 0.00 66.41 66.35 3i4j h THR 152 Cb 0.11 1.03 -0.00 0.00 -1.07 0.00 0.00 68.15 68.22 3i4j h THR 152 CO 0.00 0.01 -0.01 1.55 -0.01 0.00 0.00 175.52 177.06 3i4j h PRO 153 N 0.00 0.00 0.00 0.00 0.13 -1.84 -0.64 132.00 129.65 3i4j h PRO 153 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3i4j h PRO 153 Cb 0.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.16 3i4j h PRO 153 CO 0.00 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 179.06 3i4j n LEU 154 N -3.14 0.61 0.12 1.56 4.32 -0.82 -2.22 117.00 117.42 3i4j n LEU 154 Ca -0.02 0.64 0.13 0.00 -0.02 0.00 0.00 56.01 56.74 3i4j n LEU 154 Cb 0.14 -0.55 0.30 0.00 -1.62 0.00 0.00 43.42 41.69 3i4j n LEU 154 CO 0.23 -0.51 0.73 0.24 -1.22 0.00 0.00 177.39 176.86 3i4j h MET 155 N 0.00 0.00 -6.75 3.23 2.86 -1.29 -3.46 114.93 109.52 3i4j h MET 155 Ca 0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 3i4j h MET 155 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3i4j h MET 155 CO 0.00 0.00 0.43 1.03 1.06 0.00 0.00 176.91 179.43 3i4j s ARG 156 N -3.14 4.70 0.39 1.72 0.52 -0.94 -4.93 118.95 117.26 3i4j s ARG 156 Ca 0.09 1.68 0.10 0.00 -0.52 0.00 0.00 55.73 57.08 3i4j s ARG 156 Cb 0.11 -3.24 0.89 0.00 0.52 0.00 0.00 34.95 33.23 3i4j s ARG 156 CO 0.64 0.28 1.94 -1.35 0.02 0.00 0.00 175.30 176.83 3i4j h PRO 157 N 4.22 0.57 0.00 3.54 0.11 -1.89 0.35 132.00 138.90 3i4j h PRO 157 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i4j h PRO 157 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3i4j h PRO 157 CO 0.68 0.38 0.00 0.39 -0.21 0.00 0.00 178.00 179.24 3i4j n GLU 158 N -4.49 0.05 0.00 1.05 4.71 -1.26 -2.20 120.64 118.50 3i4j n GLU 158 Ca 0.13 0.39 0.14 0.00 -0.01 0.00 0.00 57.16 57.81 3i4j n GLU 158 Cb 0.37 -1.63 0.69 0.00 -1.01 0.00 0.00 31.44 29.87 3i4j n GLU 158 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i4j n ALA 159 N -1.59 2.42 -3.27 0.62 0.00 0.11 -4.34 120.51 114.48 3i4j n ALA 159 Ca 0.02 -0.13 -0.26 0.00 0.00 0.00 0.00 53.44 53.07 3i4j n ALA 159 Cb 0.12 -1.48 -0.07 0.00 0.00 0.00 0.00 19.45 18.03 3i4j n ALA 159 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3i4j n TRP 160 N -1.38 2.87 -1.93 0.00 7.02 -0.93 -0.27 117.44 122.81 3i4j n TRP 160 Ca 0.11 -4.01 -0.34 0.00 -1.02 0.00 0.00 57.50 52.24 3i4j n TRP 160 Cb 0.29 -0.50 0.03 0.00 -2.42 0.00 0.00 31.31 28.71 3i4j n TRP 160 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 3i4j s PRO 161 N -2.48 2.96 -0.09 -0.99 0.04 -1.26 -4.88 135.00 128.31 3i4j s PRO 161 Ca 0.41 1.55 0.02 0.00 0.04 0.00 0.00 61.00 63.01 3i4j s PRO 161 Cb 0.19 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 3i4j s PRO 161 CO -0.06 -1.16 -0.13 0.15 0.04 0.00 0.00 177.00 175.85 3i4j s LYS 162 N -3.71 2.94 0.03 4.56 -0.14 -1.26 -2.51 119.74 119.65 3i4j s LYS 162 Ca 0.71 -0.68 -0.08 0.00 -1.36 0.00 0.00 55.97 54.56 3i4j s LYS 162 Cb -0.23 -2.52 -0.05 0.00 -1.68 0.00 0.00 37.83 33.35 3i4j s LYS 162 CO 0.36 0.44 0.33 -1.17 -0.76 0.00 0.00 175.35 174.54 3i4j s LEU 163 N -0.23 4.37 0.76 3.17 2.96 0.39 -4.94 118.68 125.15 3i4j s LEU 163 Ca 0.01 0.68 -0.15 0.00 -0.22 0.00 0.00 54.13 54.46 3i4j s LEU 163 Cb -0.13 -2.78 0.05 0.00 0.50 0.00 0.00 46.19 43.84 3i4j s LEU 163 CO 0.03 0.23 1.22 -2.84 -1.32 0.00 0.00 176.35 173.67 3i4j s PRO 164 N -1.75 1.95 0.50 0.98 0.02 -1.26 -0.96 135.00 134.48 3i4j s PRO 164 Ca 0.29 1.80 -0.23 0.00 0.02 0.00 0.00 61.00 62.88 3i4j s PRO 164 Cb -0.14 -1.81 -0.07 0.00 0.02 0.00 0.00 34.50 32.51 3i4j s PRO 164 CO 0.16 -1.99 1.36 1.17 -0.33 0.00 0.00 177.00 177.37 3i4j n LYS 165 N -2.89 1.88 -1.91 5.54 4.81 -1.25 -4.48 118.16 119.86 3i4j n LYS 165 Ca 0.14 0.68 -0.34 0.00 -0.87 0.00 0.00 58.31 57.92 3i4j n LYS 165 Cb 0.50 -2.55 0.04 0.00 0.02 0.00 0.00 35.03 33.04 3i4j n LYS 165 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3i4j s PRO 166 N -2.64 2.92 -0.39 1.64 0.04 -1.26 -5.01 135.00 130.29 3i4j s PRO 166 Ca 0.67 1.57 0.04 0.00 0.04 0.00 0.00 61.00 63.32 3i4j s PRO 166 Cb -0.44 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.26 3i4j s PRO 166 CO 0.53 -1.19 0.12 0.34 0.04 0.00 0.00 177.00 176.83 3i4j s ASP 167 N -2.10 4.65 0.65 6.66 -1.08 -1.26 -4.97 116.67 119.21 3i4j s ASP 167 Ca 0.71 -2.41 0.37 0.00 -0.52 0.00 0.00 52.55 50.71 3i4j s ASP 167 Cb -0.24 -1.64 2.03 0.00 -1.46 0.00 0.00 42.92 41.62 3i4j s ASP 167 CO 0.36 -0.34 2.14 -0.65 0.52 0.00 0.00 175.17 177.21 3i4j h PRO 168 N 7.29 0.00 -0.00 4.34 0.11 -1.92 -1.09 132.00 140.73 3i4j h PRO 168 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3i4j h PRO 168 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3i4j h PRO 168 CO 0.57 0.00 -0.28 0.00 -0.21 0.00 0.00 178.00 178.08 3i4j n ALA 169 N -1.98 3.09 -2.90 -0.75 0.00 -1.26 -4.47 120.51 112.24 3i4j n ALA 169 Ca -0.02 -0.32 -0.24 0.00 0.00 0.00 0.00 53.44 52.85 3i4j n ALA 169 Cb 0.21 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 3i4j n ALA 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3i4j s ARG 170 N -2.73 3.25 0.06 0.00 3.52 -0.41 -5.04 118.95 117.61 3i4j s ARG 170 Ca 0.19 -0.75 -0.33 0.00 -0.13 0.00 0.00 55.73 54.71 3i4j s ARG 170 Cb 0.19 -2.83 -0.12 0.00 -1.56 0.00 0.00 34.95 30.63 3i4j s ARG 170 CO 0.58 0.48 1.78 -1.71 -0.81 0.00 0.00 175.30 175.61 3i4j n ASN 171 N -0.78 3.57 -0.18 -2.12 2.85 -1.26 -4.66 115.26 112.67 3i4j n ASN 171 Ca -0.08 1.01 -0.02 0.00 -0.11 0.00 0.00 54.58 55.38 3i4j n ASN 171 Cb 0.55 -1.45 0.05 0.00 1.24 0.00 0.00 39.78 40.17 3i4j n ASN 171 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3i4j h GLY 172 N 8.03 0.37 0.98 8.20 0.00 -1.76 0.26 103.07 119.16 3i4j h GLY 172 Ca -0.47 0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3i4j h GLY 172 CO 0.93 -0.22 0.22 0.00 0.00 0.00 0.00 176.54 177.47 3i4j h ALA 173 N 1.52 0.72 -0.83 3.60 0.00 -1.72 -0.23 119.26 122.32 3i4j h ALA 173 Ca 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3i4j h ALA 173 Cb 0.42 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3i4j h ALA 173 CO -0.58 0.33 0.45 1.49 0.00 0.00 0.00 179.25 180.94 3i4j h GLU 174 N 0.76 1.16 -0.58 0.00 4.81 -1.77 -1.88 114.58 117.08 3i4j h GLU 174 Ca 0.18 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 3i4j h GLU 174 Cb 0.21 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3i4j h GLU 174 CO -0.01 0.86 -0.03 0.22 -0.73 0.00 0.00 179.01 179.31 3i4j h ASP 175 N 1.16 1.03 0.43 1.04 3.58 -0.61 -2.76 116.42 120.29 3i4j h ASP 175 Ca 0.29 -0.32 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 3i4j h ASP 175 Cb 0.04 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 3i4j h ASP 175 CO -0.05 1.10 -0.19 0.00 -2.88 0.00 0.00 179.24 177.23 3i4j h ALA 176 N 0.96 1.30 0.00 -0.78 0.00 -0.60 -2.50 119.26 117.63 3i4j h ALA 176 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i4j h ALA 176 Cb 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3i4j h ALA 176 CO 0.04 0.23 0.06 0.39 0.00 0.00 0.00 179.25 179.97 3i4j n GLU 177 N -3.74 0.13 0.29 0.00 -0.58 -0.75 -0.55 120.64 115.44 3i4j n GLU 177 Ca -0.02 0.63 0.14 0.00 -0.42 0.00 0.00 57.16 57.49 3i4j n GLU 177 Cb 0.30 -1.99 0.86 0.00 -0.57 0.00 0.00 31.44 30.04 3i4j n GLU 177 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3i4j h GLY 178 N 0.00 0.00 1.22 0.62 0.00 -1.60 -1.22 103.07 102.09 3i4j h GLY 178 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 3i4j h GLY 178 CO 0.00 0.00 -0.34 -2.00 0.00 0.00 0.00 176.54 174.20 3i4j h LEU 179 N 0.00 0.91 -0.51 3.11 5.85 -1.07 -1.52 115.31 122.07 3i4j h LEU 179 Ca -0.00 -0.39 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 3i4j h LEU 179 Cb 0.07 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3i4j h LEU 179 CO 0.00 1.16 0.12 -0.09 -0.34 0.00 0.00 178.44 179.29 3i4j h ARG 180 N 0.71 0.82 -0.70 1.25 2.43 -1.39 -1.00 114.38 116.51 3i4j h ARG 180 Ca 0.07 -0.20 0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3i4j h ARG 180 Cb 0.91 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.31 3i4j h ARG 180 CO 0.08 0.79 0.44 0.00 -1.51 0.00 0.00 179.97 179.77 3i4j h ALA 181 N 1.00 0.91 -0.44 2.80 0.00 -1.23 -0.06 119.26 122.23 3i4j h ALA 181 Ca 0.16 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3i4j h ALA 181 Cb 0.34 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3i4j h ALA 181 CO 0.00 0.22 -0.05 1.25 0.00 0.00 0.00 179.25 180.68 3i4j h LEU 182 N 0.87 0.81 -0.85 0.00 5.85 -1.07 -2.59 115.31 118.33 3i4j h LEU 182 Ca 0.28 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3i4j h LEU 182 Cb 0.00 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 3i4j h LEU 182 CO -0.10 0.95 0.55 -0.07 -0.34 0.00 0.00 178.44 179.43 3i4j h LEU 183 N 0.65 0.99 -0.81 2.25 3.38 -0.67 -0.34 115.31 120.76 3i4j h LEU 183 Ca 0.12 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3i4j h LEU 183 Cb 0.56 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3i4j h LEU 183 CO 0.03 0.73 0.44 -0.33 0.09 0.00 0.00 178.44 179.40 3i4j h GLU 184 N 1.16 1.12 0.00 1.13 5.08 -0.83 0.29 114.58 122.53 3i4j h GLU 184 Ca 0.31 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 3i4j h GLU 184 Cb -0.11 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 28.91 3i4j h GLU 184 CO -0.06 0.83 -0.51 0.07 -1.00 0.00 0.00 179.01 178.33 3i4j h ARG 185 N 1.12 0.00 0.02 2.33 0.11 -1.08 -3.26 114.38 113.62 3i4j h ARG 185 Ca 0.28 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 60.11 3i4j h ARG 185 Cb 0.03 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.08 3i4j h ARG 185 CO -0.05 0.51 -1.30 0.93 0.10 0.00 0.00 179.97 180.17 3i4j h GLU 186 N 0.00 0.04 -0.42 0.08 4.39 -0.78 -3.50 114.58 114.39 3i4j h GLU 186 Ca -0.01 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3i4j h GLU 186 Cb 1.39 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 3i4j h GLU 186 CO 0.07 0.86 0.00 0.41 -1.16 0.00 0.00 179.01 179.18 3i4j n GLY 187 N 1.46 -0.15 0.42 -3.84 0.00 0.99 -4.73 105.19 99.33 3i4j n GLY 187 Ca -0.08 -0.80 0.23 0.00 0.00 0.00 0.00 46.02 45.38 3i4j n GLY 187 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i4j h PRO 188 N 0.00 0.00 0.00 1.61 0.13 -1.78 0.04 132.00 132.00 3i4j h PRO 188 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3i4j h PRO 188 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3i4j h PRO 188 CO 0.00 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 176.92 3i4j n GLU 189 N -4.02 0.28 0.00 0.86 0.00 -1.26 -2.31 120.64 114.19 3i4j n GLU 189 Ca 0.12 0.08 0.09 0.00 0.00 0.00 0.00 57.16 57.45 3i4j n GLU 189 Cb 0.76 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.72 3i4j n GLU 189 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3i4j n THR 190 N -1.30 0.00 -3.73 3.84 -2.24 -0.00 -3.30 114.28 107.55 3i4j n THR 190 Ca 0.10 -0.39 -0.35 0.00 -2.27 0.00 0.00 64.05 61.13 3i4j n THR 190 Cb 0.18 1.27 -0.08 0.00 -2.10 0.00 0.00 70.33 69.60 3i4j n THR 190 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i4j s VAL 191 N -1.79 5.41 -0.17 2.28 1.01 -0.98 -1.21 120.40 124.95 3i4j s VAL 191 Ca 0.17 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.40 3i4j s VAL 191 Cb 0.14 -3.48 -0.22 0.00 0.00 0.00 0.00 36.38 32.82 3i4j s VAL 191 CO 0.35 0.46 0.14 0.00 0.00 0.00 0.00 175.10 176.04 3i4j n ALA 192 N 3.35 1.25 -3.83 5.51 0.00 0.12 -4.62 120.51 122.29 3i4j n ALA 192 Ca -0.16 -0.91 -0.06 0.00 0.00 0.00 0.00 53.44 52.31 3i4j n ALA 192 Cb 0.52 -0.42 -0.00 0.00 0.00 0.00 0.00 19.45 19.55 3i4j n ALA 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4j s ALA 193 N -2.54 -1.23 -0.08 0.00 0.00 -0.86 -1.53 121.76 115.53 3i4j s ALA 193 Ca -0.23 -0.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 3i4j s ALA 193 Cb 0.08 0.75 0.03 0.00 0.00 0.00 0.00 23.12 23.97 3i4j s ALA 193 CO 0.72 -1.03 -0.03 0.12 0.00 0.00 0.00 175.76 175.54 3i4j s PHE 194 N -3.23 0.91 -0.06 0.00 5.36 -0.24 -0.72 117.98 120.01 3i4j s PHE 194 Ca 0.13 -0.33 0.06 0.00 -0.96 0.00 0.00 56.93 55.83 3i4j s PHE 194 Cb -0.04 -0.89 -0.01 0.00 -0.34 0.00 0.00 43.02 41.73 3i4j s PHE 194 CO 0.07 -0.35 -0.24 1.41 -1.46 0.00 0.00 175.22 174.65 3i4j s MET 195 N 1.67 2.60 0.01 10.12 -2.45 0.12 -0.75 119.30 130.63 3i4j s MET 195 Ca 0.01 -0.89 -0.22 0.00 -1.25 0.00 0.00 55.69 53.34 3i4j s MET 195 Cb -0.13 -2.19 0.05 0.00 1.25 0.00 0.00 34.83 33.81 3i4j s MET 195 CO -0.05 0.37 0.50 0.00 1.05 0.00 0.00 175.02 176.90 3i4j s ALA 196 N -0.13 -1.29 -0.13 4.11 0.00 -0.86 -4.07 121.76 119.38 3i4j s ALA 196 Ca -0.04 0.68 -0.24 0.00 0.00 0.00 0.00 51.96 52.36 3i4j s ALA 196 Cb -0.14 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 3i4j s ALA 196 CO 0.04 -0.42 0.75 -1.21 0.00 0.00 0.00 175.76 174.92 3i4j s GLU 197 N -1.93 4.34 0.20 0.00 2.02 -1.26 -0.69 118.70 121.38 3i4j s GLU 197 Ca -0.08 0.90 -0.10 0.00 0.02 0.00 0.00 54.97 55.71 3i4j s GLU 197 Cb -0.01 -3.53 0.25 0.00 0.10 0.00 0.00 34.13 30.93 3i4j s GLU 197 CO 0.02 -0.17 1.75 -1.35 0.02 0.00 0.00 175.26 175.53 3i4j h PRO 198 N 7.15 0.41 -4.99 0.39 0.11 -1.96 -3.36 132.00 129.75 3i4j h PRO 198 Ca -0.34 -0.02 -0.63 0.00 0.11 0.00 0.00 66.00 65.11 3i4j h PRO 198 Cb 1.16 -0.09 -0.34 0.00 0.11 0.00 0.00 31.00 31.83 3i4j h PRO 198 CO 0.79 0.27 -0.85 0.08 -0.21 0.00 0.00 178.00 178.08 3i4j s VAL 199 N -6.10 1.80 0.45 3.15 1.01 -1.26 -4.46 120.40 114.99 3i4j s VAL 199 Ca -0.13 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.79 3i4j s VAL 199 Cb 0.16 -1.61 -0.07 0.00 0.00 0.00 0.00 36.38 34.85 3i4j s VAL 199 CO 0.74 0.50 1.24 -0.69 0.00 0.00 0.00 175.10 176.89 3i4j s VAL 200 N 0.89 2.80 0.00 2.92 1.01 0.03 -4.76 120.40 123.29 3i4j s VAL 200 Ca -0.07 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.55 3i4j s VAL 200 Cb -0.15 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.88 3i4j s VAL 200 CO -0.02 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.72 3i4j n GLY 201 N 0.58 0.77 0.32 4.51 0.00 -1.26 -1.44 105.19 108.66 3i4j n GLY 201 Ca 0.06 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.97 3i4j n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4j h ALA 202 N -1.24 1.51 -1.00 4.61 0.00 -1.97 -2.14 119.26 119.03 3i4j h ALA 202 Ca 0.00 0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.22 3i4j h ALA 202 Cb 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.78 3i4j h ALA 202 CO 0.00 -0.28 0.62 0.66 0.00 0.00 0.00 179.25 180.25 3i4j h SER 203 N 0.49 0.82 -1.58 0.00 4.64 -1.91 -3.31 113.55 112.69 3i4j h SER 203 Ca 0.57 0.08 -0.33 0.00 -0.47 0.00 0.00 61.79 61.64 3i4j h SER 203 Cb 1.04 -0.07 -0.25 0.00 -0.31 0.00 0.00 62.40 62.81 3i4j h SER 203 CO -0.49 0.34 -0.68 -0.62 -0.87 0.00 0.00 176.83 174.51 3i4j s ASP 204 N -5.51 -0.20 -0.28 4.97 -1.08 -0.97 -4.96 116.67 108.64 3i4j s ASP 204 Ca -0.11 -2.18 -0.09 0.00 -0.52 0.00 0.00 52.55 49.65 3i4j s ASP 204 Cb 0.24 0.94 -0.06 0.00 -1.46 0.00 0.00 42.92 42.58 3i4j s ASP 204 CO 0.80 -0.12 0.77 0.00 0.52 0.00 0.00 175.17 177.15 3i4j n ALA 205 N 3.07 0.08 -1.96 3.66 0.00 -0.84 -1.12 120.51 123.40 3i4j n ALA 205 Ca 0.22 -0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.38 3i4j n ALA 205 Cb 0.52 -0.65 -0.05 0.00 0.00 0.00 0.00 19.45 19.27 3i4j n ALA 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4j n ALA 206 N 2.98 -0.44 -1.96 0.00 0.00 -0.52 -4.12 120.51 116.45 3i4j n ALA 206 Ca 0.19 0.25 -0.42 0.00 0.00 0.00 0.00 53.44 53.46 3i4j n ALA 206 Cb 0.01 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 3i4j n ALA 206 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3i4j s LEU 207 N -5.19 4.37 -0.03 0.00 2.96 -0.27 -4.59 118.68 115.93 3i4j s LEU 207 Ca 0.00 2.53 0.03 0.00 -0.22 0.00 0.00 54.13 56.47 3i4j s LEU 207 Cb 0.00 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.11 3i4j s LEU 207 CO 0.00 -0.83 -0.10 0.00 -1.32 0.00 0.00 176.35 174.10 3i4j s ALA 208 N 1.69 0.94 0.93 5.97 0.00 -1.26 -0.79 121.76 129.24 3i4j s ALA 208 Ca 0.71 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 52.17 3i4j s ALA 208 Cb -0.41 -0.34 0.15 0.00 0.00 0.00 0.00 23.12 22.52 3i4j s ALA 208 CO 0.31 0.16 1.09 -2.14 0.00 0.00 0.00 175.76 175.18 3i4j s PRO 209 N 0.15 1.00 0.74 0.00 0.02 -1.26 -4.45 135.00 131.19 3i4j s PRO 209 Ca -0.03 1.00 -0.11 0.00 0.02 0.00 0.00 61.00 61.87 3i4j s PRO 209 Cb -0.09 -1.76 0.03 0.00 0.02 0.00 0.00 34.50 32.70 3i4j s PRO 209 CO 0.01 -2.47 1.10 0.00 -0.33 0.00 0.00 177.00 175.30 3i4j s ALA 210 N -2.81 2.66 0.59 -1.55 0.00 -1.26 -4.92 121.76 114.46 3i4j s ALA 210 Ca 0.64 -0.28 -0.19 0.00 0.00 0.00 0.00 51.96 52.13 3i4j s ALA 210 Cb -0.20 -3.06 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 3i4j s ALA 210 CO 0.58 -1.35 1.02 -2.30 0.00 0.00 0.00 175.76 173.71 3i4j n PRO 211 N -3.16 0.99 0.00 0.00 -0.02 -1.26 -2.36 135.00 129.19 3i4j n PRO 211 Ca 0.07 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3i4j n PRO 211 Cb 0.57 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3i4j n PRO 211 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i4j n GLY 212 N 1.22 2.52 0.47 -1.23 0.00 -1.26 -2.90 105.19 104.01 3i4j n GLY 212 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 3i4j n GLY 212 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3i4j h TYR 213 N 0.00 -1.09 0.00 1.61 3.20 -1.56 -2.73 116.97 116.40 3i4j h TYR 213 Ca 0.00 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 3i4j h TYR 213 Cb 0.00 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3i4j h TYR 213 CO 0.00 -0.67 -0.19 1.88 -1.64 0.00 0.00 178.16 177.53 3i4j h TYR 214 N -1.29 0.00 -0.45 -3.82 0.05 -1.89 -0.65 116.97 108.92 3i4j h TYR 214 Ca -0.12 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.63 3i4j h TYR 214 Cb 0.90 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.63 3i4j h TYR 214 CO -0.00 0.19 0.15 0.93 -1.05 0.00 0.00 178.16 178.38 3i4j h GLU 215 N 0.00 0.70 -0.38 4.88 3.07 -1.82 0.65 114.58 121.68 3i4j h GLU 215 Ca -0.00 -0.15 -0.16 0.00 -0.50 0.00 0.00 59.36 58.55 3i4j h GLU 215 Cb 0.65 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3i4j h GLU 215 CO 0.03 0.67 -0.39 -0.09 -1.40 0.00 0.00 179.01 177.82 3i4j h ARG 216 N 0.59 0.92 -0.41 2.33 9.65 -1.13 -2.54 114.38 123.80 3i4j h ARG 216 Ca 0.15 -0.49 0.01 0.00 -1.10 0.00 0.00 59.98 58.54 3i4j h ARG 216 Cb 0.25 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 3i4j h ARG 216 CO -0.01 1.15 0.27 0.28 2.80 0.00 0.00 179.97 184.46 3i4j h VAL 217 N 0.75 1.10 -0.45 0.20 2.07 -0.89 0.33 116.25 119.36 3i4j h VAL 217 Ca 0.06 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.45 3i4j h VAL 217 Cb 0.99 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 3i4j h VAL 217 CO 0.10 0.10 0.16 -0.09 0.02 0.00 0.00 177.57 177.85 3i4j h ARG 218 N 0.55 0.32 -0.36 1.57 9.65 -0.79 -0.27 114.38 125.05 3i4j h ARG 218 Ca 0.15 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.97 3i4j h ARG 218 Cb -0.06 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.44 3i4j h ARG 218 CO -0.04 0.21 0.05 -0.44 2.80 0.00 0.00 179.97 182.56 3i4j h ASP 219 N 0.33 0.57 -0.95 -3.80 3.32 -1.10 -1.35 116.42 113.44 3i4j h ASP 219 Ca 0.21 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3i4j h ASP 219 Cb 0.20 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 3i4j h ASP 219 CO -0.21 0.69 0.57 0.40 -1.72 0.00 0.00 179.24 178.97 3i4j h ILE 220 N 0.43 1.26 -0.64 0.35 1.08 -0.60 -1.04 117.51 118.35 3i4j h ILE 220 Ca 0.11 -0.57 -0.07 0.00 -0.39 0.00 0.00 64.86 63.94 3i4j h ILE 220 Cb 0.37 -0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 34.01 3i4j h ILE 220 CO 0.01 0.27 0.13 0.00 -0.69 0.00 0.00 178.15 177.87 3i4j h ASP 222 N 0.96 0.83 -0.61 0.00 3.32 -0.71 0.50 116.42 120.70 3i4j h ASP 222 Ca 0.20 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3i4j h ASP 222 Cb 0.40 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3i4j h ASP 222 CO 0.01 0.79 0.18 -0.33 -1.72 0.00 0.00 179.24 178.17 3i4j h GLU 223 N 0.81 0.95 0.00 3.56 5.08 -0.98 -2.87 114.58 121.13 3i4j h GLU 223 Ca 0.19 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3i4j h GLU 223 Cb 0.24 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3i4j h GLU 223 CO -0.01 0.85 0.00 0.00 -1.00 0.00 0.00 179.01 178.85 3i4j h ALA 224 N 1.06 1.00 -0.36 3.43 0.00 -1.04 -3.47 119.26 119.88 3i4j h ALA 224 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3i4j h ALA 224 Cb 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3i4j h ALA 224 CO -0.00 0.00 -0.08 0.41 0.00 0.00 0.00 179.25 179.57 3i4j n GLY 225 N 1.05 0.42 3.90 0.00 0.00 0.11 -4.91 105.19 105.77 3i4j n GLY 225 Ca 0.04 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 3i4j n GLY 225 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i4j s ILE 226 N -2.16 5.04 -0.06 -0.61 -4.36 -0.85 -5.02 121.20 113.18 3i4j s ILE 226 Ca 0.00 -0.86 -0.30 0.00 -0.26 0.00 0.00 60.65 59.23 3i4j s ILE 226 Cb 0.00 -3.61 -0.02 0.00 1.25 0.00 0.00 42.46 40.08 3i4j s ILE 226 CO 0.00 -0.13 1.01 -0.63 0.24 0.00 0.00 174.94 175.43 3i4j s ILE 227 N -1.79 4.77 -0.36 8.37 -1.09 -0.58 -4.63 121.20 125.90 3i4j s ILE 227 Ca 0.33 2.02 -0.16 0.00 -2.23 0.00 0.00 60.65 60.61 3i4j s ILE 227 Cb -0.10 -4.30 -0.00 0.00 -1.58 0.00 0.00 42.46 36.48 3i4j s ILE 227 CO 0.27 0.06 0.41 0.12 -1.23 0.00 0.00 174.94 174.57 3i4j s PHE 228 N 1.65 3.19 -0.22 3.97 5.36 -1.26 -1.08 117.98 129.59 3i4j s PHE 228 Ca 0.50 -0.06 -0.06 0.00 -0.96 0.00 0.00 56.93 56.35 3i4j s PHE 228 Cb -0.20 -2.77 -0.03 0.00 -0.34 0.00 0.00 43.02 39.68 3i4j s PHE 228 CO 0.22 -0.51 0.03 0.42 -1.46 0.00 0.00 175.22 173.92 3i4j s ILE 229 N 2.12 4.17 -0.32 3.12 1.01 0.07 -0.64 121.20 130.73 3i4j s ILE 229 Ca 0.13 -0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.43 3i4j s ILE 229 Cb -0.16 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 3i4j s ILE 229 CO 0.12 0.40 0.21 0.00 0.00 0.00 0.00 174.94 175.67 3i4j s ALA 230 N 1.17 3.45 -0.76 9.38 0.00 0.14 -2.04 121.76 133.11 3i4j s ALA 230 Ca 0.04 -1.32 -0.22 0.00 0.00 0.00 0.00 51.96 50.45 3i4j s ALA 230 Cb -0.14 -2.56 0.08 0.00 0.00 0.00 0.00 23.12 20.50 3i4j s ALA 230 CO 0.02 -0.86 1.08 0.34 0.00 0.00 0.00 175.76 176.34 3i4j s ASP 231 N 1.70 6.30 -0.24 0.00 -1.08 0.14 -0.65 116.67 122.83 3i4j s ASP 231 Ca 0.06 -1.19 0.14 0.00 -0.52 0.00 0.00 52.55 51.04 3i4j s ASP 231 Cb -0.17 -2.44 0.65 0.00 -1.46 0.00 0.00 42.92 39.49 3i4j s ASP 231 CO 0.10 -1.42 1.59 -0.62 0.52 0.00 0.00 175.17 175.34 3i4j n GLU 232 N 7.76 3.45 -0.24 4.34 -0.58 -0.04 -4.09 120.64 131.25 3i4j n GLU 232 Ca 0.06 -3.01 0.13 0.00 -0.42 0.00 0.00 57.16 53.92 3i4j n GLU 232 Cb 0.47 -2.03 0.42 0.00 -0.57 0.00 0.00 31.44 29.73 3i4j n GLU 232 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3i4j h VAL 233 N 2.41 0.81 0.00 2.62 2.07 -1.76 -0.16 116.25 122.24 3i4j h VAL 233 Ca 0.08 -0.21 -0.27 0.00 0.82 0.00 0.00 66.70 67.13 3i4j h VAL 233 Cb 1.80 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 3i4j h VAL 233 CO 0.42 0.11 -2.02 0.80 0.02 0.00 0.00 177.57 176.90 3i4j n MET 234 N -4.54 1.16 0.00 1.57 0.00 -1.26 -4.06 117.12 109.99 3i4j n MET 234 Ca 0.17 0.04 0.13 0.00 -0.00 0.00 0.00 57.70 58.03 3i4j n MET 234 Cb 0.50 -1.37 0.39 0.00 0.00 0.00 0.00 33.22 32.74 3i4j n MET 234 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3i4j n SER 235 N -2.74 0.33 -3.84 6.12 3.41 -1.18 -4.87 113.62 110.86 3i4j n SER 235 Ca -0.27 -0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.10 3i4j n SER 235 Cb 0.92 -0.02 0.15 0.00 -0.26 0.00 0.00 64.21 65.00 3i4j n SER 235 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i4j n GLY 236 N 1.49 -0.65 3.69 5.00 0.00 -0.08 -3.56 105.19 111.09 3i4j n GLY 236 Ca 0.06 -1.82 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 3i4j n GLY 236 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i4j n MET 237 N -3.10 -6.42 0.00 1.61 2.81 0.48 -2.82 117.12 109.69 3i4j n MET 237 Ca 0.14 0.72 0.00 0.00 -1.81 0.00 0.00 57.70 56.75 3i4j n MET 237 Cb 0.50 -5.63 0.00 0.00 -0.71 0.00 0.00 33.22 27.38 3i4j n MET 237 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i4j n GLY 238 N -1.69 2.57 0.30 3.03 0.00 -0.81 -4.92 105.19 103.66 3i4j n GLY 238 Ca -0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.02 3i4j n GLY 238 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i4j h ARG 239 N 2.36 0.09 -0.84 1.61 9.65 -1.69 -0.40 114.38 125.16 3i4j h ARG 239 Ca 0.00 -0.01 -0.28 0.00 -1.10 0.00 0.00 59.98 58.60 3i4j h ARG 239 Cb 0.00 -0.02 -0.17 0.00 -1.39 0.00 0.00 29.97 28.39 3i4j h ARG 239 CO 0.00 0.06 0.35 0.00 2.80 0.00 0.00 179.97 183.18 3i4j n GLY 241 N -0.35 0.60 3.37 0.00 0.00 -0.16 -3.76 105.19 104.89 3i4j n GLY 241 Ca 0.43 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 3i4j n GLY 241 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i4j s SER 242 N -2.90 -0.42 0.21 1.61 0.15 -1.25 -4.77 113.70 106.32 3i4j s SER 242 Ca 0.00 0.42 -0.12 0.00 0.70 0.00 0.00 55.95 56.95 3i4j s SER 242 Cb 0.00 0.46 0.26 0.00 -1.71 0.00 0.00 66.02 65.02 3i4j s SER 242 CO 0.00 -0.51 1.64 -0.65 1.20 0.00 0.00 173.24 174.93 3i4j h PRO 243 N 3.56 0.04 -5.17 5.44 0.11 -1.90 -2.17 132.00 131.91 3i4j h PRO 243 Ca -0.28 -0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.28 3i4j h PRO 243 Cb 1.16 -0.01 -0.31 0.00 0.11 0.00 0.00 31.00 31.95 3i4j h PRO 243 CO 0.38 0.03 -0.83 -0.51 -0.21 0.00 0.00 178.00 176.86 3i4j s LEU 244 N -10.78 1.89 0.42 2.35 1.43 -1.26 -0.39 118.68 112.34 3i4j s LEU 244 Ca -0.14 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 52.72 3i4j s LEU 244 Cb 0.19 -0.91 0.92 0.00 0.03 0.00 0.00 46.19 46.42 3i4j s LEU 244 CO 0.74 0.14 2.06 0.00 0.23 0.00 0.00 176.35 179.52 3i4j h ALA 245 N 6.29 1.76 -0.66 4.21 0.00 -1.74 -2.51 119.26 126.62 3i4j h ALA 245 Ca -0.33 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.65 3i4j h ALA 245 Cb 1.17 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3i4j h ALA 245 CO 0.48 0.21 0.44 1.25 0.00 0.00 0.00 179.25 181.62 3i4j h LEU 246 N 0.48 0.49 -2.35 0.00 5.85 -1.92 -1.70 115.31 116.17 3i4j h LEU 246 Ca 0.14 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3i4j h LEU 246 Cb -0.01 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3i4j h LEU 246 CO -0.03 0.30 0.00 0.28 -0.34 0.00 0.00 178.44 178.65 3i4j h SER 247 N 0.55 0.00 0.30 1.25 0.02 -1.54 -1.93 113.55 112.20 3i4j h SER 247 Ca 0.30 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3i4j h SER 247 Cb 0.44 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 3i4j h SER 247 CO -0.09 0.00 -0.01 0.03 -1.14 0.00 0.00 176.83 175.61 3i4j h ARG 248 N 0.00 0.00 -4.24 3.45 3.08 -1.47 0.41 114.38 115.62 3i4j h ARG 248 Ca 0.00 0.00 -0.76 0.00 0.07 0.00 0.00 59.98 59.29 3i4j h ARG 248 Cb 0.10 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 29.93 3i4j h ARG 248 CO 0.00 0.01 0.89 -1.58 -1.07 0.00 0.00 179.97 178.23 3i4j s TRP 249 N -4.07 3.81 -1.25 3.04 0.51 -0.72 -4.63 118.94 115.62 3i4j s TRP 249 Ca -0.03 -2.31 -0.02 0.00 -2.12 0.00 0.00 56.10 51.61 3i4j s TRP 249 Cb 0.12 -4.09 0.01 0.00 -0.81 0.00 0.00 33.47 28.70 3i4j s TRP 249 CO 0.47 -1.20 0.15 0.43 -0.51 0.00 0.00 176.95 176.30 3i4j n SER 250 N 4.41 -4.40 -0.96 2.95 7.64 -1.24 -1.67 113.62 120.36 3i4j n SER 250 Ca 0.30 0.01 -0.12 0.00 1.01 0.00 0.00 58.87 60.06 3i4j n SER 250 Cb 0.42 -3.68 -0.05 0.00 -1.01 0.00 0.00 64.21 59.89 3i4j n SER 250 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i4j n GLY 251 N -0.98 1.34 3.71 0.23 0.00 0.13 -4.96 105.19 104.66 3i4j n GLY 251 Ca -0.13 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3i4j n GLY 251 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i4j n VAL 252 N -2.61 2.38 -4.69 1.61 0.31 -0.67 -4.85 118.33 109.80 3i4j n VAL 252 Ca -0.12 -0.50 -0.26 0.00 -0.01 0.00 0.00 64.34 63.44 3i4j n VAL 252 Cb 0.42 -1.61 -0.14 0.00 -0.91 0.00 0.00 33.84 31.60 3i4j n VAL 252 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3i4j s THR 253 N -1.17 1.71 0.77 2.52 -4.23 -1.26 -3.80 115.64 110.19 3i4j s THR 253 Ca 0.59 -1.20 -0.02 0.00 -1.18 0.00 0.00 61.69 59.88 3i4j s THR 253 Cb -0.52 -1.48 0.15 0.00 1.34 0.00 0.00 72.50 71.99 3i4j s THR 253 CO 0.60 0.24 1.05 -2.16 -0.54 0.00 0.00 174.62 173.81 3i4j s PRO 254 N -1.14 1.45 0.01 3.99 0.04 -1.26 -5.01 135.00 133.07 3i4j s PRO 254 Ca 0.08 -1.13 0.13 0.00 0.04 0.00 0.00 61.00 60.12 3i4j s PRO 254 Cb -0.09 -2.27 -0.19 0.00 0.04 0.00 0.00 34.50 31.98 3i4j s PRO 254 CO 0.02 -1.64 0.79 -0.44 0.04 0.00 0.00 177.00 175.76 3i4j h ASP 255 N -0.70 0.00 -3.40 6.66 3.32 -1.25 -3.46 116.42 117.59 3i4j h ASP 255 Ca -0.36 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.41 3i4j h ASP 255 Cb 1.26 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.47 3i4j h ASP 255 CO 0.38 0.87 -0.66 -0.63 -1.72 0.00 0.00 179.24 177.47 3i4j s ILE 256 N -2.70 -0.09 -0.18 0.35 1.01 -0.94 -1.21 121.20 117.43 3i4j s ILE 256 Ca -0.03 0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.84 3i4j s ILE 256 Cb 0.08 -0.18 -0.01 0.00 0.01 0.00 0.00 42.46 42.36 3i4j s ILE 256 CO 0.82 0.10 -0.08 0.00 0.00 0.00 0.00 174.94 175.78 3i4j s ALA 257 N 1.42 2.75 -0.20 9.38 0.00 -0.09 -0.68 121.76 134.33 3i4j s ALA 257 Ca -0.06 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.74 3i4j s ALA 257 Cb -0.12 -1.51 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 3i4j s ALA 257 CO -0.05 -0.14 0.24 0.08 0.00 0.00 0.00 175.76 175.90 3i4j s VAL 258 N 0.98 5.32 0.22 0.00 1.01 0.17 -0.61 120.40 127.50 3i4j s VAL 258 Ca -0.01 0.40 0.12 0.00 0.00 0.00 0.00 61.98 62.49 3i4j s VAL 258 Cb -0.15 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 3i4j s VAL 258 CO -0.00 0.35 -0.23 -0.76 0.00 0.00 0.00 175.10 174.46 3i4j s LEU 259 N 0.84 2.49 0.00 3.92 1.43 0.16 -0.86 118.68 126.66 3i4j s LEU 259 Ca 0.13 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 3i4j s LEU 259 Cb -0.13 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 44.94 3i4j s LEU 259 CO 0.04 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.32 3i4j n GLY 260 N -0.02 0.66 5.87 -3.19 0.00 -1.26 -1.35 105.19 105.91 3i4j n GLY 260 Ca -0.10 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3i4j n GLY 260 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i4j n LYS 261 N 0.00 0.00 0.00 1.61 5.02 -1.26 -1.88 118.16 121.66 3i4j n LYS 261 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 3i4j n LYS 261 Cb 0.00 0.00 0.41 0.00 -0.02 0.00 0.00 35.03 35.42 3i4j n LYS 261 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i4j n GLY 262 N 0.00 -0.86 0.14 0.72 0.00 -1.26 -3.05 105.19 100.88 3i4j n GLY 262 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 3i4j n GLY 262 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i4j h LEU 263 N 0.00 -0.29 -2.83 0.99 5.85 -1.63 -2.41 115.31 114.99 3i4j h LEU 263 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3i4j h LEU 263 Cb 0.17 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3i4j h LEU 263 CO 0.00 -0.12 0.00 0.00 -0.34 0.00 0.00 178.44 177.98 3i4j n ALA 264 N -2.45 2.24 -4.36 1.25 0.00 -1.24 -4.67 120.51 111.28 3i4j n ALA 264 Ca -0.03 -1.19 -0.38 0.00 0.00 0.00 0.00 53.44 51.85 3i4j n ALA 264 Cb 0.16 -0.58 -0.06 0.00 0.00 0.00 0.00 19.45 18.96 3i4j n ALA 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4j n ALA 265 N 0.86 -1.42 -0.40 0.00 0.00 -0.91 -0.95 120.51 117.70 3i4j n ALA 265 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3i4j n ALA 265 Cb 0.49 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.47 3i4j n ALA 265 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4j n GLY 266 N -1.49 1.22 0.15 0.00 0.00 -1.24 -4.25 105.19 99.58 3i4j n GLY 266 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3i4j n GLY 266 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3i4j h TYR 267 N 0.00 0.00 -2.02 1.61 0.05 -1.41 -3.48 116.97 111.72 3i4j h TYR 267 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 3i4j h TYR 267 Cb 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 37.55 3i4j h TYR 267 CO 0.00 0.04 0.34 0.00 -1.05 0.00 0.00 178.16 177.49 3i4j s ALA 268 N -3.28 -1.81 -0.75 3.88 0.00 -1.26 -5.03 121.76 113.51 3i4j s ALA 268 Ca 0.02 1.26 -0.26 0.00 0.00 0.00 0.00 51.96 52.98 3i4j s ALA 268 Cb 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.15 3i4j s ALA 268 CO 0.75 -0.44 1.49 -2.14 0.00 0.00 0.00 175.76 175.42 3i4j s PRO 269 N -1.72 3.06 -0.00 0.00 0.02 -1.26 -4.62 135.00 130.47 3i4j s PRO 269 Ca -0.05 -0.14 0.01 0.00 0.02 0.00 0.00 61.00 60.84 3i4j s PRO 269 Cb -0.00 -4.43 0.00 0.00 0.02 0.00 0.00 34.50 30.08 3i4j s PRO 269 CO 0.02 -2.38 -0.02 -1.17 -0.33 0.00 0.00 177.00 173.13 3i4j s LEU 270 N 6.75 1.93 0.00 -5.54 2.96 -1.15 -4.49 118.68 119.14 3i4j s LEU 270 Ca 0.47 -0.03 -0.11 0.00 -0.22 0.00 0.00 54.13 54.23 3i4j s LEU 270 Cb -0.08 -0.10 0.04 0.00 0.50 0.00 0.00 46.19 46.55 3i4j s LEU 270 CO 0.12 0.01 0.64 0.00 -1.32 0.00 0.00 176.35 175.81 3i4j n ALA 271 N 3.12 -1.35 0.00 5.97 0.00 -0.38 -4.04 120.51 123.82 3i4j n ALA 271 Ca -0.13 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.17 3i4j n ALA 271 Cb 0.59 0.91 0.00 0.00 0.00 0.00 0.00 19.45 20.94 3i4j n ALA 271 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4j n GLY 272 N -0.47 -1.69 3.08 0.00 0.00 -0.46 -0.76 105.19 104.89 3i4j n GLY 272 Ca -0.06 -1.23 -0.08 0.00 0.00 0.00 0.00 46.02 44.65 3i4j n GLY 272 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i4j s LEU 273 N 0.00 2.31 -0.17 0.99 0.05 -0.43 0.39 118.68 121.82 3i4j s LEU 273 Ca 0.00 -0.83 0.01 0.00 0.05 0.00 0.00 54.13 53.36 3i4j s LEU 273 Cb 0.00 0.26 0.01 0.00 -2.05 0.00 0.00 46.19 44.42 3i4j s LEU 273 CO 0.00 -0.53 -0.19 -0.76 -0.55 0.00 0.00 176.35 174.31 3i4j s LEU 274 N -2.53 2.21 -0.02 1.48 1.43 0.22 -0.76 118.68 120.71 3i4j s LEU 274 Ca 0.01 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.54 3i4j s LEU 274 Cb 0.03 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 3i4j s LEU 274 CO -0.08 0.03 -0.10 0.00 0.23 0.00 0.00 176.35 176.44 3i4j s ALA 275 N 1.10 2.88 0.52 4.21 0.00 0.19 -0.92 121.76 129.74 3i4j s ALA 275 Ca 0.00 -1.00 -0.23 0.00 0.00 0.00 0.00 51.96 50.73 3i4j s ALA 275 Cb -0.14 -1.07 -0.06 0.00 0.00 0.00 0.00 23.12 21.85 3i4j s ALA 275 CO -0.08 0.59 1.35 0.00 0.00 0.00 0.00 175.76 177.62 3i4j s ALA 276 N -0.89 2.93 0.28 0.00 0.00 -0.35 -0.58 121.76 123.15 3i4j s ALA 276 Ca 0.14 1.32 0.02 0.00 0.00 0.00 0.00 51.96 53.44 3i4j s ALA 276 Cb -0.11 -3.55 0.67 0.00 0.00 0.00 0.00 23.12 20.13 3i4j s ALA 276 CO 0.04 -1.26 1.68 -1.35 0.00 0.00 0.00 175.76 174.87 3i4j h PRO 277 N 1.71 0.31 -0.64 0.00 0.11 -1.92 -0.46 132.00 131.11 3i4j h PRO 277 Ca -0.51 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.66 3i4j h PRO 277 Cb 1.29 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 3i4j h PRO 277 CO 0.58 0.21 0.32 0.37 -0.21 0.00 0.00 178.00 179.27 3i4j h GLN 278 N 0.32 0.56 -0.21 1.05 5.75 -1.95 0.14 115.11 120.76 3i4j h GLN 278 Ca 0.53 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.93 3i4j h GLN 278 Cb 1.00 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.42 3i4j h GLN 278 CO -0.56 0.37 -0.10 0.28 -2.65 0.00 0.00 178.83 176.16 3i4j h VAL 279 N 0.57 1.31 0.03 2.39 2.07 -1.47 -2.29 116.25 118.86 3i4j h VAL 279 Ca 0.30 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.65 3i4j h VAL 279 Cb 0.26 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3i4j h VAL 279 CO -0.22 0.36 -0.04 0.22 0.02 0.00 0.00 177.57 177.90 3i4j h TYR 280 N 0.14 -0.09 -0.42 1.57 3.20 -0.95 -2.41 116.97 118.01 3i4j h TYR 280 Ca 0.05 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3i4j h TYR 280 Cb 0.60 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 3i4j h TYR 280 CO 0.06 -0.06 0.25 0.93 -1.64 0.00 0.00 178.16 177.71 3i4j h GLU 281 N -0.08 0.56 -0.41 1.82 5.08 -0.76 -0.52 114.58 120.27 3i4j h GLU 281 Ca 0.00 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 3i4j h GLU 281 Cb 0.08 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3i4j h GLU 281 CO -0.02 0.39 -0.05 1.15 -1.00 0.00 0.00 179.01 179.48 3i4j h THR 282 N 0.57 1.27 -0.05 1.13 2.02 -1.13 -2.22 112.91 114.50 3i4j h THR 282 Ca 0.15 -1.12 -0.18 0.00 0.77 0.00 0.00 66.41 66.03 3i4j h THR 282 Cb -0.03 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3i4j h THR 282 CO -0.03 0.38 -0.74 1.62 0.37 0.00 0.00 175.52 177.12 3i4j h VAL 283 N 0.59 1.41 -0.12 3.16 3.04 -1.01 -3.10 116.25 120.23 3i4j h VAL 283 Ca 0.11 -2.23 -0.08 0.00 -1.01 0.00 0.00 66.70 63.49 3i4j h VAL 283 Cb 0.56 2.18 -0.01 0.00 -2.01 0.00 0.00 31.29 32.01 3i4j h VAL 283 CO 0.03 0.66 -0.31 0.24 -1.01 0.00 0.00 177.57 177.18 3i4j h MET 284 N 0.20 0.22 -7.40 4.17 2.07 -1.04 -3.44 114.93 109.71 3i4j h MET 284 Ca -0.03 -0.08 -0.48 0.00 -2.07 0.00 0.00 59.70 57.04 3i4j h MET 284 Cb 1.31 -0.01 0.13 0.00 -1.87 0.00 0.00 31.60 31.16 3i4j h MET 284 CO 0.12 0.52 0.29 0.20 1.07 0.00 0.00 176.91 179.11 3i4j s GLY 285 N -4.16 1.60 0.00 8.32 0.00 -0.84 -5.09 107.32 107.15 3i4j s GLY 285 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.42 3i4j s GLY 285 CO 0.75 0.24 0.00 0.61 0.00 0.00 0.00 173.10 174.71 3i4j n GLY 286 N -1.74 0.00 1.41 0.20 0.00 -1.26 -4.98 105.19 98.82 3i4j n GLY 286 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3i4j n GLY 286 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i4j n PHE 290 N 0.00 -0.81 -3.90 1.61 7.35 -1.26 -5.12 117.46 115.33 3i4j n PHE 290 Ca 0.00 0.14 -0.09 0.00 -0.76 0.00 0.00 57.45 56.75 3i4j n PHE 290 Cb 0.00 0.22 -0.08 0.00 0.35 0.00 0.00 39.48 39.97 3i4j n PHE 290 CO 0.00 0.00 0.00 -1.64 -0.76 0.00 0.00 176.76 174.36 3i4j s MET 291 N -1.79 0.74 -0.11 -4.13 -1.94 -1.26 -5.06 119.30 105.75 3i4j s MET 291 Ca 0.00 -0.91 -0.04 0.00 -1.71 0.00 0.00 55.69 53.03 3i4j s MET 291 Cb 0.00 0.29 -0.05 0.00 2.01 0.00 0.00 34.83 37.08 3i4j s MET 291 CO 0.00 -0.21 -0.13 0.72 -0.01 0.00 0.00 175.02 175.39 3i4j n HIS 292 N 0.22 0.00 0.00 -0.03 8.25 -1.26 -5.05 115.22 117.35 3i4j n HIS 292 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 3i4j n HIS 292 Cb 0.61 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.32 3i4j n HIS 292 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i4j n GLY 293 N 2.47 -3.04 3.34 -1.41 0.00 -1.26 -4.91 105.19 100.38 3i4j n GLY 293 Ca -0.21 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 3i4j n GLY 293 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i4j n PHE 294 N 0.00 -2.78 -0.22 1.61 3.72 -1.26 -4.90 117.46 113.63 3i4j n PHE 294 Ca 0.00 1.13 0.01 0.00 -0.05 0.00 0.00 57.45 58.54 3i4j n PHE 294 Cb 0.00 -2.97 0.12 0.00 -0.94 0.00 0.00 39.48 35.69 3i4j n PHE 294 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3i4j h THR 295 N 1.23 0.77 -0.55 4.37 2.02 -2.01 -2.36 112.91 116.37 3i4j h THR 295 Ca -0.35 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3i4j h THR 295 Cb 1.24 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3i4j h THR 295 CO 0.27 0.08 0.00 -1.22 0.37 0.00 0.00 175.52 175.02 3i4j n TYR 296 N -4.97 1.05 -2.00 3.16 4.01 -1.26 -4.71 117.16 112.44 3i4j n TYR 296 Ca 0.10 -0.45 -0.42 0.00 -0.16 0.00 0.00 57.90 56.97 3i4j n TYR 296 Cb 0.29 -0.13 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 3i4j n TYR 296 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i4j s ALA 297 N -1.56 3.67 0.00 -0.72 0.00 -0.89 -1.76 121.76 120.49 3i4j s ALA 297 Ca 0.41 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.52 3i4j s ALA 297 Cb 0.24 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3i4j s ALA 297 CO 0.23 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.38 3i4j n GLY 298 N 3.88 0.74 3.58 0.00 0.00 -1.23 -4.30 105.19 107.87 3i4j n GLY 298 Ca 0.15 0.00 -0.65 0.00 0.00 0.00 0.00 46.02 45.52 3i4j n GLY 298 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i4j n HIS 299 N -2.48 1.57 -0.20 1.61 -0.00 -0.72 -4.77 115.22 110.23 3i4j n HIS 299 Ca 0.00 1.00 0.01 0.00 -0.00 0.00 0.00 57.72 58.73 3i4j n HIS 299 Cb 0.00 -2.26 0.10 0.00 -0.00 0.00 0.00 29.99 27.84 3i4j n HIS 299 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3i4j h PRO 300 N 6.43 0.18 -0.66 1.57 0.11 -1.85 0.46 132.00 138.25 3i4j h PRO 300 Ca -0.33 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.69 3i4j h PRO 300 Cb 1.38 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.43 3i4j h PRO 300 CO 1.02 0.12 0.10 0.28 -0.21 0.00 0.00 178.00 179.31 3i4j h VAL 301 N 0.19 1.26 -0.36 3.15 2.07 -1.80 0.46 116.25 121.23 3i4j h VAL 301 Ca 0.32 -1.05 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 3i4j h VAL 301 Cb 0.49 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3i4j h VAL 301 CO -0.45 0.39 -0.28 0.28 0.02 0.00 0.00 177.57 177.53 3i4j h SER 302 N 1.03 0.77 -0.54 0.57 0.02 -1.79 -1.94 113.55 111.67 3i4j h SER 302 Ca 0.20 -0.30 -0.10 0.00 -0.84 0.00 0.00 61.79 60.75 3i4j h SER 302 Cb 0.45 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 3i4j h SER 302 CO 0.01 1.01 -0.06 0.58 -1.14 0.00 0.00 176.83 177.24 3i4j h VAL 303 N 0.64 1.27 -0.61 2.27 2.07 -0.63 -1.87 116.25 119.39 3i4j h VAL 303 Ca 0.08 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.40 3i4j h VAL 303 Cb 0.80 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3i4j h VAL 303 CO 0.07 0.42 0.40 0.00 0.02 0.00 0.00 177.57 178.48 3i4j h ALA 304 N 0.94 1.55 -0.45 1.67 0.00 -0.67 0.27 119.26 122.57 3i4j h ALA 304 Ca 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3i4j h ALA 304 Cb 0.61 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3i4j h ALA 304 CO 0.04 0.41 0.10 0.00 0.00 0.00 0.00 179.25 179.80 3i4j h ALA 305 N 1.61 0.60 -0.53 0.00 0.00 -0.86 -1.11 119.26 118.97 3i4j h ALA 305 Ca 0.22 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i4j h ALA 305 Cb -0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3i4j h ALA 305 CO -0.05 0.30 0.32 0.78 0.00 0.00 0.00 179.25 180.60 3i4j h GLY 306 N 0.60 0.76 1.00 0.00 0.00 -0.47 -0.59 103.07 104.38 3i4j h GLY 306 Ca 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3i4j h GLY 306 CO 0.00 0.31 0.35 -2.00 0.00 0.00 0.00 176.54 175.20 3i4j h LEU 307 N 0.71 0.85 -0.60 3.11 5.85 -0.75 0.12 115.31 124.60 3i4j h LEU 307 Ca 0.19 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 3i4j h LEU 307 Cb -0.02 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3i4j h LEU 307 CO -0.04 0.72 0.03 -1.28 -0.34 0.00 0.00 178.44 177.53 3i4j h SER 308 N 0.92 1.01 -0.71 1.25 0.87 -0.94 -1.33 113.55 114.63 3i4j h SER 308 Ca 0.23 -0.29 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 3i4j h SER 308 Cb 0.07 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 3i4j h SER 308 CO -0.03 1.06 0.26 0.58 -0.53 0.00 0.00 176.83 178.16 3i4j h VAL 309 N 0.94 1.25 -0.72 2.23 2.07 -0.77 -2.53 116.25 118.72 3i4j h VAL 309 Ca 0.17 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 3i4j h VAL 309 Cb 0.52 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3i4j h VAL 309 CO 0.03 0.33 0.34 0.25 0.02 0.00 0.00 177.57 178.53 3i4j h LEU 310 N 1.02 0.95 -0.76 2.57 5.85 -0.64 -0.39 115.31 123.92 3i4j h LEU 310 Ca 0.23 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.89 3i4j h LEU 310 Cb 0.25 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 3i4j h LEU 310 CO -0.01 0.83 0.42 0.44 -0.34 0.00 0.00 178.44 179.77 3i4j h ASP 311 N 1.01 0.60 -0.22 1.25 3.32 -0.88 -1.15 116.42 120.35 3i4j h ASP 311 Ca 0.25 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 3i4j h ASP 311 Cb 0.14 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3i4j h ASP 311 CO -0.03 0.36 -0.12 0.40 -1.72 0.00 0.00 179.24 178.13 3i4j h ILE 312 N 0.73 1.31 -0.90 0.35 2.04 -1.03 0.59 117.51 120.60 3i4j h ILE 312 Ca 0.36 -1.20 0.07 0.00 1.00 0.00 0.00 64.86 65.09 3i4j h ILE 312 Cb 0.31 1.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.95 3i4j h ILE 312 CO -0.23 0.37 0.56 0.58 0.00 0.00 0.00 178.15 179.43 3i4j h VAL 313 N 0.17 1.05 0.00 1.67 2.07 -0.64 0.38 116.25 120.94 3i4j h VAL 313 Ca 0.05 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3i4j h VAL 313 Cb 0.62 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3i4j h VAL 313 CO 0.03 0.19 -0.04 -0.33 0.02 0.00 0.00 177.57 177.44 3i4j h GLU 314 N 1.02 0.02 -0.91 1.57 5.08 -1.18 -1.28 114.58 118.90 3i4j h GLU 314 Ca 0.39 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.76 3i4j h GLU 314 Cb 0.18 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 3i4j h GLU 314 CO -0.18 0.85 0.59 -0.09 -1.00 0.00 0.00 179.01 179.18 3i4j h ARG 315 N -0.79 1.11 -0.06 2.33 2.43 -0.72 -1.95 114.38 116.73 3i4j h ARG 315 Ca -0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3i4j h ARG 315 Cb 0.86 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3i4j h ARG 315 CO 0.01 0.73 0.00 0.39 -1.51 0.00 0.00 179.97 179.59 3i4j n GLU 316 N -4.51 1.77 -3.90 0.20 1.02 0.11 -4.95 120.64 110.38 3i4j n GLU 316 Ca 0.12 -1.14 -0.33 0.00 -0.02 0.00 0.00 57.16 55.80 3i4j n GLU 316 Cb 0.10 -1.46 0.01 0.00 -0.02 0.00 0.00 31.44 30.06 3i4j n GLU 316 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3i4j n ASP 317 N 0.37 -3.01 0.24 1.62 2.03 -0.73 -4.80 116.55 112.28 3i4j n ASP 317 Ca 0.18 -1.09 0.16 0.00 0.52 0.00 0.00 54.79 54.56 3i4j n ASP 317 Cb 0.38 -2.79 0.69 0.00 -0.72 0.00 0.00 41.12 38.68 3i4j n ASP 317 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3i4j h LEU 318 N -2.03 0.00 -0.31 -2.67 3.38 -1.52 -1.13 115.31 111.04 3i4j h LEU 318 Ca -0.66 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.19 3i4j h LEU 318 Cb 1.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 3i4j h LEU 318 CO 0.55 0.00 -0.26 0.74 0.09 0.00 0.00 178.44 179.56 3i4j h THR 319 N 0.00 1.30 -0.21 0.22 2.02 -1.83 0.38 112.91 114.79 3i4j h THR 319 Ca 0.00 -1.42 -0.13 0.00 0.77 0.00 0.00 66.41 65.63 3i4j h THR 319 Cb 0.41 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 3i4j h THR 319 CO 0.00 0.46 -0.42 1.23 0.37 0.00 0.00 175.52 177.16 3i4j h GLY 320 N 0.47 0.56 1.06 2.16 0.00 -1.69 -2.89 103.07 102.74 3i4j h GLY 320 Ca 0.05 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.75 3i4j h GLY 320 CO 0.07 0.51 0.18 0.00 0.00 0.00 0.00 176.54 177.30 3i4j h ALA 321 N 1.12 0.93 -0.48 3.60 0.00 -1.01 -2.41 119.26 121.00 3i4j h ALA 321 Ca 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3i4j h ALA 321 Cb 0.91 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3i4j h ALA 321 CO 0.08 0.64 0.27 0.00 0.00 0.00 0.00 179.25 180.24 3i4j h ALA 322 N 1.09 1.58 0.08 0.00 0.00 -0.72 0.68 119.26 121.96 3i4j h ALA 322 Ca 0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i4j h ALA 322 Cb 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i4j h ALA 322 CO -0.00 0.36 -0.04 0.87 0.00 0.00 0.00 179.25 180.44 3i4j h LYS 323 N 0.67 -0.11 0.19 0.00 1.57 -1.26 0.77 116.57 118.40 3i4j h LYS 323 Ca 0.17 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3i4j h LYS 323 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3i4j h LYS 323 CO -0.03 0.19 -0.09 1.49 -0.57 0.00 0.00 179.45 180.44 3i4j h GLU 324 N -0.41 -0.25 -0.17 3.15 4.81 -1.14 -1.68 114.58 118.90 3i4j h GLU 324 Ca -0.01 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 3i4j h GLU 324 Cb 0.35 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3i4j h GLU 324 CO 0.02 0.04 -0.29 0.00 -0.73 0.00 0.00 179.01 178.05 3i4j h ARG 325 N -0.52 0.33 -0.55 1.92 2.47 -0.97 -2.14 114.38 114.92 3i4j h ARG 325 Ca -0.03 -0.13 -0.07 0.00 -1.26 0.00 0.00 59.98 58.50 3i4j h ARG 325 Cb 0.39 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.67 3i4j h ARG 325 CO 0.04 0.60 0.08 0.78 0.56 0.00 0.00 179.97 182.03 3i4j h GLY 326 N 1.04 0.99 0.97 0.04 0.00 -0.80 -0.16 103.07 105.15 3i4j h GLY 326 Ca 0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 3i4j h GLY 326 CO 0.05 0.62 0.19 0.00 0.00 0.00 0.00 176.54 177.39 3i4j h ALA 327 N 0.99 0.63 -0.23 3.60 0.00 -1.06 -0.47 119.26 122.73 3i4j h ALA 327 Ca 0.17 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i4j h ALA 327 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i4j h ALA 327 CO 0.01 0.25 0.12 0.37 0.00 0.00 0.00 179.25 180.01 3i4j h GLN 328 N 0.65 0.31 -0.55 0.00 4.15 -1.15 -1.15 115.11 117.37 3i4j h GLN 328 Ca 0.16 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 3i4j h GLN 328 Cb 0.20 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 3i4j h GLN 328 CO -0.01 0.29 0.10 1.25 -1.93 0.00 0.00 178.83 178.53 3i4j h LEU 329 N 0.26 0.86 -0.66 -2.39 5.85 -0.89 -1.65 115.31 116.69 3i4j h LEU 329 Ca 0.08 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3i4j h LEU 329 Cb 0.07 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3i4j h LEU 329 CO -0.01 0.89 0.41 0.25 -0.34 0.00 0.00 178.44 179.64 3i4j h LEU 330 N 0.79 0.79 -1.14 2.25 5.85 -0.94 -0.87 115.31 122.05 3i4j h LEU 330 Ca 0.17 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3i4j h LEU 330 Cb 0.39 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3i4j h LEU 330 CO 0.01 0.61 0.39 0.00 -0.34 0.00 0.00 178.44 179.11 3i4j h ALA 331 N 1.21 1.34 -0.57 1.25 0.00 -0.97 -1.01 119.26 120.51 3i4j h ALA 331 Ca 0.24 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3i4j h ALA 331 Cb -0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3i4j h ALA 331 CO -0.05 0.54 -0.01 0.78 0.00 0.00 0.00 179.25 180.51 3i4j h GLY 332 N 1.05 1.09 1.33 0.00 0.00 -0.44 -0.93 103.07 105.18 3i4j h GLY 332 Ca 0.25 -0.81 -0.10 0.00 0.00 0.00 0.00 47.33 46.67 3i4j h GLY 332 CO -0.04 0.75 -0.16 1.41 0.00 0.00 0.00 176.54 178.49 3i4j h LEU 333 N 0.90 0.78 -0.87 3.11 3.38 -0.69 -1.84 115.31 120.07 3i4j h LEU 333 Ca 0.16 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 3i4j h LEU 333 Cb 0.56 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3i4j h LEU 333 CO 0.03 0.95 -0.25 1.56 0.09 0.00 0.00 178.44 180.81 3i4j h GLN 334 N 0.69 0.54 -0.14 1.13 4.20 -0.99 -2.58 115.11 117.97 3i4j h GLN 334 Ca 0.11 -0.21 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 3i4j h GLN 334 Cb 0.66 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 3i4j h GLN 334 CO 0.05 0.75 -0.33 0.00 -0.67 0.00 0.00 178.83 178.63 3i4j h ALA 335 N 1.25 1.20 0.00 3.87 0.00 -0.78 -2.82 119.26 121.98 3i4j h ALA 335 Ca 0.07 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3i4j h ALA 335 Cb 0.69 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3i4j h ALA 335 CO 0.05 0.53 -0.15 -0.07 0.00 0.00 0.00 179.25 179.62 3i4j h LEU 336 N 0.24 0.00 -1.78 0.00 3.38 -0.94 -3.19 115.31 113.02 3i4j h LEU 336 Ca 0.03 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3i4j h LEU 336 Cb 0.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3i4j h LEU 336 CO 0.05 0.15 0.16 1.56 0.09 0.00 0.00 178.44 180.45 3i4j h GLN 337 N 0.00 0.29 -0.78 1.13 4.20 -1.35 0.11 115.11 118.72 3i4j h GLN 337 Ca -0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3i4j h GLN 337 Cb 0.65 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 3i4j h GLN 337 CO 0.02 0.19 0.48 0.00 -0.67 0.00 0.00 178.83 178.85 3i4j h ALA 338 N 1.85 1.00 0.08 3.87 0.00 -1.72 -1.68 119.26 122.66 3i4j h ALA 338 Ca 0.09 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 3i4j h ALA 338 Cb 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3i4j h ALA 338 CO -0.02 0.45 -1.20 -0.09 0.00 0.00 0.00 179.25 178.40 3i4j h ARG 339 N 1.07 0.18 -2.78 0.00 2.43 -1.58 -3.40 114.38 110.30 3i4j h ARG 339 Ca 0.28 -0.30 -0.61 0.00 -0.81 0.00 0.00 59.98 58.54 3i4j h ARG 339 Cb -0.05 0.11 -0.41 0.00 -0.42 0.00 0.00 29.97 29.20 3i4j h ARG 339 CO -0.05 1.13 -0.69 1.19 -1.51 0.00 0.00 179.97 180.03 3i4j n PHE 340 N -3.46 2.11 0.48 2.20 3.72 0.33 -4.93 117.46 117.92 3i4j n PHE 340 Ca -0.07 -4.02 0.04 0.00 -0.05 0.00 0.00 57.45 53.36 3i4j n PHE 340 Cb 1.00 -0.39 0.24 0.00 -0.94 0.00 0.00 39.48 39.39 3i4j n PHE 340 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3i4j n PRO 341 N 2.05 0.21 0.06 -1.08 -0.04 -0.66 -1.32 135.00 134.23 3i4j n PRO 341 Ca 0.23 0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.88 3i4j n PRO 341 Cb 0.39 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.79 3i4j n PRO 341 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3i4j n GLN 342 N -1.10 0.11 -2.47 0.54 3.00 -1.26 -4.22 117.38 111.98 3i4j n GLN 342 Ca 0.06 0.28 -0.38 0.00 -0.01 0.00 0.00 57.00 56.94 3i4j n GLN 342 Cb 0.04 -1.68 -0.03 0.00 0.00 0.00 0.00 30.24 28.56 3i4j n GLN 342 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 3i4j s MET 343 N -3.13 3.41 0.31 -1.09 -1.94 -0.44 -1.38 119.30 115.03 3i4j s MET 343 Ca 0.07 -1.00 0.02 0.00 -1.71 0.00 0.00 55.69 53.07 3i4j s MET 343 Cb 0.11 -5.31 0.59 0.00 2.01 0.00 0.00 34.83 32.23 3i4j s MET 343 CO 0.40 -2.43 1.89 0.52 -0.01 0.00 0.00 175.02 175.38 3i4j h MET 344 N 9.99 0.93 -2.13 2.03 2.86 -0.38 -3.44 114.93 124.78 3i4j h MET 344 Ca 0.19 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 3i4j h MET 344 Cb 1.00 -0.21 -0.20 0.00 0.06 0.00 0.00 31.60 32.25 3i4j h MET 344 CO 1.39 0.62 0.10 -1.14 1.06 0.00 0.00 176.91 178.94 3i4j s GLN 345 N -5.88 0.89 -0.05 1.72 0.74 -1.11 -4.98 119.66 111.00 3i4j s GLN 345 Ca -0.11 0.57 0.04 0.00 0.05 0.00 0.00 55.36 55.90 3i4j s GLN 345 Cb 0.21 0.43 0.00 0.00 1.10 0.00 0.00 33.01 34.75 3i4j s GLN 345 CO 0.80 -0.20 -0.16 0.54 -0.55 0.00 0.00 175.29 175.71 3i4j s VAL 346 N -0.42 1.40 0.04 1.34 0.11 -1.26 -0.68 120.40 120.92 3i4j s VAL 346 Ca -0.06 -0.68 -0.02 0.00 -2.93 0.00 0.00 61.98 58.30 3i4j s VAL 346 Cb -0.03 -1.22 -0.02 0.00 -1.53 0.00 0.00 36.38 33.57 3i4j s VAL 346 CO 0.05 0.41 0.01 -0.13 -3.33 0.00 0.00 175.10 172.11 3i4j s ARG 347 N 0.24 0.51 -0.28 1.54 0.52 -0.30 -5.00 118.95 116.18 3i4j s ARG 347 Ca -0.08 -0.87 -0.25 0.00 -0.52 0.00 0.00 55.73 54.00 3i4j s ARG 347 Cb -0.13 0.18 0.14 0.00 0.52 0.00 0.00 34.95 35.66 3i4j s ARG 347 CO 0.03 -0.10 1.11 0.20 0.02 0.00 0.00 175.30 176.56 3i4j s GLY 348 N -2.19 -0.06 -0.22 -3.53 0.00 -1.26 -0.45 107.32 99.61 3i4j s GLY 348 Ca -0.04 2.80 -0.03 0.00 0.00 0.00 0.00 44.72 47.45 3i4j s GLY 348 CO -0.05 1.81 0.05 -1.59 0.00 0.00 0.00 173.10 173.32 3i4j s THR 349 N 0.11 0.49 0.00 0.90 2.01 -0.59 -5.00 115.64 113.56 3i4j s THR 349 Ca 0.04 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.37 3i4j s THR 349 Cb -0.05 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.37 3i4j s THR 349 CO -0.08 -0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.15 3i4j n GLY 350 N 5.05 2.54 2.25 4.40 0.00 -1.25 -2.44 105.19 115.75 3i4j n GLY 350 Ca -0.08 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 3i4j n GLY 350 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i4j n LEU 351 N 0.00 7.15 -4.04 0.99 4.77 0.53 -4.26 117.00 122.13 3i4j n LEU 351 Ca 0.00 -3.97 -0.32 0.00 -0.03 0.00 0.00 56.01 51.69 3i4j n LEU 351 Cb 0.00 -0.90 -0.15 0.00 -2.33 0.00 0.00 43.42 40.04 3i4j n LEU 351 CO 0.00 1.28 -0.41 -0.22 -1.33 0.00 0.00 177.39 176.71 3i4j s LEU 352 N -3.57 3.83 0.22 2.23 2.96 -1.02 -4.15 118.68 119.18 3i4j s LEU 352 Ca 0.61 -1.64 0.07 0.00 -0.22 0.00 0.00 54.13 52.94 3i4j s LEU 352 Cb 0.49 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 45.58 3i4j s LEU 352 CO 0.05 -0.26 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.94 3i4j s LEU 353 N 1.05 2.52 0.00 -0.68 1.02 -0.32 -1.54 118.68 120.73 3i4j s LEU 353 Ca -0.02 -1.06 -0.06 0.00 0.02 0.00 0.00 54.13 53.01 3i4j s LEU 353 Cb -0.20 -0.62 -0.00 0.00 0.02 0.00 0.00 46.19 45.40 3i4j s LEU 353 CO -0.06 -0.24 0.11 -0.83 0.02 0.00 0.00 176.35 175.35 3i4j s GLY 354 N -3.33 0.08 -0.10 -3.19 0.00 0.40 -1.03 107.32 100.15 3i4j s GLY 354 Ca 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.76 3i4j s GLY 354 CO 0.07 -0.32 -0.08 0.14 0.00 0.00 0.00 173.10 172.91 3i4j s VAL 355 N -1.34 0.99 -0.22 1.40 1.01 -0.03 -1.15 120.40 121.07 3i4j s VAL 355 Ca -0.14 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 3i4j s VAL 355 Cb -0.08 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 3i4j s VAL 355 CO 0.01 0.36 0.16 -0.69 0.00 0.00 0.00 175.10 174.94 3i4j s VAL 356 N 1.52 5.37 0.16 2.92 1.01 0.14 -0.27 120.40 131.24 3i4j s VAL 356 Ca 0.01 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.26 3i4j s VAL 356 Cb -0.13 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3i4j s VAL 356 CO -0.06 0.37 0.02 -0.76 0.00 0.00 0.00 175.10 174.67 3i4j s LEU 357 N 0.82 3.40 0.22 3.92 1.43 0.12 0.24 118.68 128.84 3i4j s LEU 357 Ca 0.08 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 52.64 3i4j s LEU 357 Cb -0.13 -2.06 0.07 0.00 0.03 0.00 0.00 46.19 44.11 3i4j s LEU 357 CO 0.02 0.10 0.99 -0.83 0.23 0.00 0.00 176.35 176.87 3i4j s GLY 358 N -2.87 0.15 0.21 -3.19 0.00 -0.48 -4.82 107.32 96.32 3i4j s GLY 358 Ca 0.28 -0.40 -0.12 0.00 0.00 0.00 0.00 44.72 44.48 3i4j s GLY 358 CO 0.19 1.90 0.57 0.51 0.00 0.00 0.00 173.10 176.28 3i4j s ASP 359 N -3.34 6.72 0.00 1.64 1.47 -1.26 -4.61 116.67 117.29 3i4j s ASP 359 Ca 0.20 1.03 0.00 0.00 1.18 0.00 0.00 52.55 54.96 3i4j s ASP 359 Cb -0.03 -2.27 0.00 0.00 -0.34 0.00 0.00 42.92 40.28 3i4j s ASP 359 CO 0.06 -0.02 0.00 0.18 0.68 0.00 0.00 175.17 176.07 3i4j n LEU 360 N 0.18 0.00 0.00 2.11 4.77 -1.26 -5.01 117.00 117.79 3i4j n LEU 360 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3i4j n LEU 360 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3i4j n LEU 360 CO 0.44 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.50 3i4j n ILE 371 N 0.03 0.00 0.12 -0.08 3.06 -1.26 -5.12 119.36 116.11 3i4j n ILE 371 Ca 0.00 0.00 0.17 0.00 -2.50 0.00 0.00 62.75 60.42 3i4j n ILE 371 Cb 0.00 0.00 0.72 0.00 0.54 0.00 0.00 39.64 40.90 3i4j n ILE 371 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3i4j h ALA 372 N 0.00 2.19 0.04 1.51 0.00 -1.88 0.42 119.26 121.54 3i4j h ALA 372 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 3i4j h ALA 372 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i4j h ALA 372 CO 0.00 -0.41 -1.01 0.66 0.00 0.00 0.00 179.25 178.49 3i4j h SER 373 N 0.00 0.43 -0.54 0.00 4.64 -1.97 -0.33 113.55 115.78 3i4j h SER 373 Ca 0.15 -0.38 -0.07 0.00 -0.47 0.00 0.00 61.79 61.02 3i4j h SER 373 Cb 0.65 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 3i4j h SER 373 CO -0.00 1.21 0.05 0.03 -0.87 0.00 0.00 176.83 177.25 3i4j h ARG 374 N 0.16 0.92 -0.00 4.77 3.08 -0.71 0.20 114.38 122.78 3i4j h ARG 374 Ca -0.09 -0.27 -0.16 0.00 0.07 0.00 0.00 59.98 59.54 3i4j h ARG 374 Cb 1.67 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.60 3i4j h ARG 374 CO 0.17 0.91 -0.76 0.82 -1.07 0.00 0.00 179.97 180.04 3i4j h ILE 375 N 0.80 1.54 -0.41 2.04 2.04 -0.94 -2.50 117.51 120.08 3i4j h ILE 375 Ca 0.16 -2.58 -0.10 0.00 1.00 0.00 0.00 64.86 63.34 3i4j h ILE 375 Cb 0.46 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 3i4j h ILE 375 CO 0.02 0.74 -0.12 1.23 0.00 0.00 0.00 178.15 180.01 3i4j h GLY 376 N 2.23 0.88 0.98 5.37 0.00 -0.58 -0.11 103.07 111.84 3i4j h GLY 376 Ca -0.01 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 46.52 3i4j h GLY 376 CO 0.10 0.68 0.09 0.00 0.00 0.00 0.00 176.54 177.41 3i4j h ALA 377 N 0.84 0.65 -0.63 3.60 0.00 -0.59 -0.47 119.26 122.66 3i4j h ALA 377 Ca 0.10 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3i4j h ALA 377 Cb 0.66 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3i4j h ALA 377 CO 0.05 0.37 0.16 0.00 0.00 0.00 0.00 179.25 179.83 3i4j h ALA 378 N 0.98 1.10 -0.34 0.00 0.00 -1.34 -0.98 119.26 118.68 3i4j h ALA 378 Ca 0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3i4j h ALA 378 Cb 0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3i4j h ALA 378 CO 0.01 0.61 0.10 0.00 0.00 0.00 0.00 179.25 179.97 3i4j h ALA 379 N 1.23 0.45 -0.53 0.00 0.00 -0.66 -2.39 119.26 117.36 3i4j h ALA 379 Ca 0.20 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3i4j h ALA 379 Cb 0.32 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3i4j h ALA 379 CO -0.00 0.09 0.30 1.25 0.00 0.00 0.00 179.25 180.90 3i4j h LEU 380 N 0.40 0.48 -1.03 0.00 5.85 -0.70 0.12 115.31 120.42 3i4j h LEU 380 Ca 0.11 0.01 0.16 0.00 0.84 0.00 0.00 57.88 59.00 3i4j h LEU 380 Cb 0.26 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.11 3i4j h LEU 380 CO -0.00 0.33 0.62 0.50 -0.34 0.00 0.00 178.44 179.55 3i4j h LYS 381 N 0.60 0.82 -0.00 1.25 1.63 -0.89 0.25 116.57 120.22 3i4j h LYS 381 Ca 0.22 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 3i4j h LYS 381 Cb 0.06 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 3i4j h LYS 381 CO -0.11 0.54 -0.12 0.54 -3.45 0.00 0.00 179.45 176.85 3i4j n ARG 382 N -4.69 0.58 -0.33 1.90 1.74 -0.49 -4.92 116.66 110.44 3i4j n ARG 382 Ca 0.21 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3i4j n ARG 382 Cb 0.49 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 3i4j n ARG 382 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i4j n GLY 383 N 1.31 1.71 3.08 -0.13 0.00 0.87 -5.01 105.19 107.02 3i4j n GLY 383 Ca 0.13 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3i4j n GLY 383 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i4j s LEU 384 N -0.01 1.84 -0.07 0.99 2.96 0.27 -0.61 118.68 124.06 3i4j s LEU 384 Ca 0.00 -0.51 -0.21 0.00 -0.22 0.00 0.00 54.13 53.20 3i4j s LEU 384 Cb 0.00 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.41 3i4j s LEU 384 CO 0.00 0.01 0.59 -0.63 -1.32 0.00 0.00 176.35 175.00 3i4j s ILE 385 N 1.09 5.07 0.38 6.68 -1.09 -0.03 -2.70 121.20 130.61 3i4j s ILE 385 Ca -0.03 1.21 0.05 0.00 -2.23 0.00 0.00 60.65 59.64 3i4j s ILE 385 Cb -0.14 -3.93 -0.06 0.00 -1.58 0.00 0.00 42.46 36.75 3i4j s ILE 385 CO -0.05 0.32 0.04 0.42 -1.23 0.00 0.00 174.94 174.44 3i4j s THR 386 N 0.50 1.41 0.00 2.92 -4.23 -1.26 -1.64 115.64 113.34 3i4j s THR 386 Ca 0.32 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 3i4j s THR 386 Cb -0.17 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 70.90 3i4j s THR 386 CO 0.15 0.00 0.50 0.00 -0.54 0.00 0.00 174.62 174.72 3i4j n TYR 387 N -0.85 0.00 0.00 3.99 9.36 -1.19 -4.79 117.16 123.67 3i4j n TYR 387 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 3i4j n TYR 387 Cb 0.67 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.38 3i4j n TYR 387 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3i4j n ASP 399 N -0.56 0.00 -4.41 2.98 5.68 -1.26 -4.96 116.55 114.02 3i4j n ASP 399 Ca 0.00 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 53.98 3i4j n ASP 399 Cb 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.85 3i4j n ASP 399 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 3i4j s HIS 400 N -0.73 2.46 -0.15 2.11 3.76 -1.26 0.16 115.29 121.64 3i4j s HIS 400 Ca 0.00 -0.32 0.01 0.00 -0.15 0.00 0.00 55.06 54.61 3i4j s HIS 400 Cb 0.00 -1.43 0.02 0.00 1.11 0.00 0.00 32.58 32.27 3i4j s HIS 400 CO 0.00 0.20 -0.19 -1.17 -0.85 0.00 0.00 174.74 172.73 3i4j s LEU 401 N -1.36 1.99 -0.23 0.89 2.96 0.62 -4.79 118.68 118.76 3i4j s LEU 401 Ca 0.13 -0.58 -0.09 0.00 -0.22 0.00 0.00 54.13 53.38 3i4j s LEU 401 Cb -0.10 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 3i4j s LEU 401 CO 0.04 0.01 0.12 -0.22 -1.32 0.00 0.00 176.35 174.98 3i4j s LEU 402 N 1.15 3.86 0.13 -0.68 2.96 -1.26 -0.85 118.68 123.99 3i4j s LEU 402 Ca 0.00 0.01 0.10 0.00 -0.22 0.00 0.00 54.13 54.03 3i4j s LEU 402 Cb -0.14 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 3i4j s LEU 402 CO -0.08 0.06 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.00 3i4j s LEU 403 N 1.09 2.43 0.00 -0.68 1.43 -0.19 -3.18 118.68 119.57 3i4j s LEU 403 Ca 0.06 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 3i4j s LEU 403 Cb -0.14 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.78 3i4j s LEU 403 CO 0.04 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.41 3i4j n GLY 404 N 0.83 -1.85 3.78 -3.19 0.00 -0.01 -1.17 105.19 103.59 3i4j n GLY 404 Ca -0.17 0.97 -0.29 0.00 0.00 0.00 0.00 46.02 46.53 3i4j n GLY 404 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i4j s PRO 405 N 0.00 0.62 0.43 1.61 0.04 -0.47 -2.48 135.00 134.75 3i4j s PRO 405 Ca 0.00 0.10 -0.25 0.00 0.04 0.00 0.00 61.00 60.89 3i4j s PRO 405 Cb 0.00 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.65 3i4j s PRO 405 CO 0.00 -2.51 1.30 -2.30 0.04 0.00 0.00 177.00 173.52 3i4j n PRO 406 N -3.95 1.98 0.22 0.56 -0.02 -1.26 -4.78 135.00 127.75 3i4j n PRO 406 Ca 0.09 0.70 0.15 0.00 -2.02 0.00 0.00 63.50 62.42 3i4j n PRO 406 Cb 0.59 -2.42 0.77 0.00 -0.02 0.00 0.00 33.50 32.42 3i4j n PRO 406 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3i4j h LEU 407 N 2.12 0.00 -1.21 2.45 4.07 -0.87 -0.60 115.31 121.27 3i4j h LEU 407 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.48 3i4j h LEU 407 Cb 1.29 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.03 3i4j h LEU 407 CO 0.60 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 176.42 3i4j n SER 408 N -2.51 1.82 -4.76 -0.43 3.41 -1.25 -4.41 113.62 105.49 3i4j n SER 408 Ca -0.02 -1.70 -0.40 0.00 -0.26 0.00 0.00 58.87 56.49 3i4j n SER 408 Cb 0.06 -0.09 0.02 0.00 -0.26 0.00 0.00 64.21 63.94 3i4j n SER 408 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3i4j s ILE 409 N -1.81 2.02 0.54 -1.33 2.07 -0.23 -5.00 121.20 117.45 3i4j s ILE 409 Ca 0.34 0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.56 3i4j s ILE 409 Cb 0.19 -3.01 0.01 0.00 0.13 0.00 0.00 42.46 39.78 3i4j s ILE 409 CO 0.28 0.00 0.81 0.42 -1.91 0.00 0.00 174.94 174.54 3i4j s THR 410 N -1.21 3.60 0.21 4.00 -4.23 -1.26 -4.93 115.64 111.83 3i4j s THR 410 Ca 0.63 -0.26 -0.10 0.00 -1.18 0.00 0.00 61.69 60.78 3i4j s THR 410 Cb -0.44 -3.39 0.16 0.00 1.34 0.00 0.00 72.50 70.17 3i4j s THR 410 CO 0.56 -0.34 1.88 0.00 -0.54 0.00 0.00 174.62 176.17 3i4j h ALA 411 N 0.03 0.97 -0.78 3.99 0.00 -1.99 -0.54 119.26 120.94 3i4j h ALA 411 Ca -0.45 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 3i4j h ALA 411 Cb 1.26 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3i4j h ALA 411 CO 0.59 0.36 0.31 0.00 0.00 0.00 0.00 179.25 180.50 3i4j h ALA 412 N 1.29 1.08 -0.00 0.00 0.00 -2.00 -2.18 119.26 117.45 3i4j h ALA 412 Ca 0.28 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3i4j h ALA 412 Cb -0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3i4j h ALA 412 CO -0.07 0.65 -0.45 0.93 0.00 0.00 0.00 179.25 180.31 3i4j h GLU 413 N 1.13 0.01 -0.57 0.00 5.08 -1.77 -1.39 114.58 117.07 3i4j h GLU 413 Ca 0.26 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.52 3i4j h GLU 413 Cb 0.21 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3i4j h GLU 413 CO -0.02 0.46 -0.03 0.28 -1.00 0.00 0.00 179.01 178.69 3i4j h VAL 414 N 0.01 1.27 -0.37 3.13 2.07 -0.53 -0.56 116.25 121.26 3i4j h VAL 414 Ca -0.00 -1.18 -0.09 0.00 0.82 0.00 0.00 66.70 66.25 3i4j h VAL 414 Cb 0.79 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3i4j h VAL 414 CO 0.06 0.42 -0.13 0.44 0.02 0.00 0.00 177.57 178.38 3i4j h ASP 415 N 0.92 0.65 -0.65 0.57 3.32 -0.97 -1.61 116.42 118.64 3i4j h ASP 415 Ca 0.16 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 3i4j h ASP 415 Cb 0.59 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3i4j h ASP 415 CO 0.04 0.80 0.09 1.23 -1.72 0.00 0.00 179.24 179.68 3i4j h GLY 416 N 0.97 1.17 0.99 2.75 0.00 -0.87 -0.86 103.07 107.21 3i4j h GLY 416 Ca 0.10 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 3i4j h GLY 416 CO 0.04 0.73 0.23 -2.00 0.00 0.00 0.00 176.54 175.54 3i4j h LEU 417 N 1.00 0.46 -0.99 3.11 6.46 -0.77 -1.21 115.31 123.37 3i4j h LEU 417 Ca 0.20 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 3i4j h LEU 417 Cb 0.46 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.23 3i4j h LEU 417 CO 0.02 0.37 0.55 -0.07 -0.62 0.00 0.00 178.44 178.68 3i4j h LEU 418 N 0.50 1.10 -0.58 2.25 3.38 -0.98 -0.60 115.31 120.38 3i4j h LEU 418 Ca 0.14 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3i4j h LEU 418 Cb -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3i4j h LEU 418 CO -0.03 0.85 0.14 0.00 0.09 0.00 0.00 178.44 179.49 3i4j h ALA 419 N 1.34 0.77 -0.57 1.53 0.00 -0.72 -0.37 119.26 121.23 3i4j h ALA 419 Ca 0.33 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3i4j h ALA 419 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3i4j h ALA 419 CO -0.06 0.48 0.06 -0.07 0.00 0.00 0.00 179.25 179.66 3i4j h LEU 420 N 0.85 0.94 -0.60 0.00 3.38 -0.79 -2.09 115.31 116.99 3i4j h LEU 420 Ca 0.18 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3i4j h LEU 420 Cb 0.36 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3i4j h LEU 420 CO 0.00 0.99 0.15 0.25 0.09 0.00 0.00 178.44 179.92 3i4j h LEU 421 N 0.87 0.91 -1.23 1.67 5.85 -0.87 -1.92 115.31 120.60 3i4j h LEU 421 Ca 0.17 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.66 3i4j h LEU 421 Cb 0.47 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3i4j h LEU 421 CO 0.02 0.91 0.52 0.00 -0.34 0.00 0.00 178.44 179.54 3i4j h ALA 422 N 1.04 1.44 -0.51 1.25 0.00 -0.87 -0.22 119.26 121.38 3i4j h ALA 422 Ca 0.19 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3i4j h ALA 422 Cb 0.35 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3i4j h ALA 422 CO 0.00 0.52 0.05 0.78 0.00 0.00 0.00 179.25 180.60 3i4j h GLY 423 N 1.06 0.95 0.96 0.00 0.00 -0.89 -0.63 103.07 104.52 3i4j h GLY 423 Ca 0.29 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 3i4j h GLY 423 CO -0.06 0.61 0.17 0.00 0.00 0.00 0.00 176.54 177.26 3i4j h ALA 424 N 0.96 0.62 -0.66 3.60 0.00 -0.64 -0.21 119.26 122.94 3i4j h ALA 424 Ca 0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3i4j h ALA 424 Cb 0.46 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3i4j h ALA 424 CO 0.02 0.26 0.26 -0.07 0.00 0.00 0.00 179.25 179.72 3i4j h LEU 425 N 0.64 0.88 -0.43 0.00 3.38 -0.92 -1.96 115.31 116.90 3i4j h LEU 425 Ca 0.16 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3i4j h LEU 425 Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3i4j h LEU 425 CO -0.01 0.79 0.06 -0.08 0.09 0.00 0.00 178.44 179.30 3i4j h GLU 426 N 0.95 0.72 -0.30 1.13 4.57 -0.66 0.39 114.58 121.38 3i4j h GLU 426 Ca 0.22 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3i4j h GLU 426 Cb 0.19 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3i4j h GLU 426 CO -0.02 0.75 0.19 -0.44 -1.18 0.00 0.00 179.01 178.32 3i4j h ASP 427 N 0.57 0.35 0.09 1.04 3.32 -0.64 -3.28 116.42 117.88 3i4j h ASP 427 Ca 0.13 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.03 3i4j h ASP 427 Cb 0.39 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.86 3i4j h ASP 427 CO 0.01 0.26 -0.59 0.58 -1.72 0.00 0.00 179.24 177.78 3i4j h VAL 428 N 0.39 1.57 -0.02 -1.35 2.07 -1.32 -3.52 116.25 114.08 3i4j h VAL 428 Ca 0.11 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.16 3i4j h VAL 428 Cb -0.03 3.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 3i4j h VAL 428 CO -0.02 0.68 0.00 0.18 0.02 0.00 0.00 177.57 178.42