#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 4.91 -0.83 2.41 1.01 -1.26 -5.00 120.40 121.64 3i4j s VAL 4 Ca 0.00 1.34 -0.21 0.00 0.00 0.00 0.00 61.98 63.11 3i4j s VAL 4 Cb 0.00 -3.98 0.10 0.00 0.00 0.00 0.00 36.38 32.50 3i4j s VAL 4 CO 0.00 0.37 1.09 0.12 0.00 0.00 0.00 175.10 176.69 3i4j s PHE 5 N 0.04 2.88 0.69 5.22 5.99 -1.26 -5.01 117.98 126.53 3i4j s PHE 5 Ca 0.33 -1.00 -0.14 0.00 0.00 0.00 0.00 56.93 56.12 3i4j s PHE 5 Cb -0.18 -4.33 0.01 0.00 0.00 0.00 0.00 43.02 38.52 3i4j s PHE 5 CO 0.18 -1.60 1.12 0.71 -0.00 0.00 0.00 175.22 175.63 3i4j s TYR 6 N 3.46 2.52 0.21 10.12 2.02 -1.26 -4.93 117.35 129.50 3i4j s TYR 6 Ca 0.30 1.56 0.31 0.00 -0.37 0.00 0.00 57.07 58.87 3i4j s TYR 6 Cb -0.09 -3.19 1.37 0.00 -0.40 0.00 0.00 41.96 39.65 3i4j s TYR 6 CO -0.02 -1.84 2.00 0.00 -1.57 0.00 0.00 175.55 174.12 3i4j h ARG 7 N -0.19 0.00 -3.05 -0.62 3.08 -1.96 -3.46 114.38 108.18 3i4j h ARG 7 Ca -0.46 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.57 3i4j h ARG 7 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 3i4j h ARG 7 CO 0.53 0.08 0.24 -1.54 -1.07 0.00 0.00 179.97 178.21 3i4j s SER 8 N -5.84 0.00 0.02 7.04 1.04 -1.26 -5.04 113.70 109.66 3i4j s SER 8 Ca -0.00 -1.08 0.22 0.00 0.48 0.00 0.00 55.95 55.57 3i4j s SER 8 Cb 0.10 0.82 0.93 0.00 0.10 0.00 0.00 66.02 67.98 3i4j s SER 8 CO 0.56 -1.62 1.70 -0.24 0.98 0.00 0.00 173.24 174.62 3i4j n SER 9 N -1.25 0.05 -4.79 7.02 2.88 -1.26 -4.86 113.62 111.40 3i4j n SER 9 Ca -0.07 0.51 -0.31 0.00 -1.33 0.00 0.00 58.87 57.67 3i4j n SER 9 Cb 0.60 -0.52 0.07 0.00 -0.75 0.00 0.00 64.21 63.61 3i4j n SER 9 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 3i4j s LYS 10 N -3.01 2.58 0.18 -1.46 -2.85 -1.26 -4.98 119.74 108.94 3i4j s LYS 10 Ca 0.10 1.04 -0.30 0.00 -1.00 0.00 0.00 55.97 55.81 3i4j s LYS 10 Cb 0.14 -1.94 -0.08 0.00 -2.06 0.00 0.00 37.83 33.88 3i4j s LYS 10 CO 0.40 -1.38 1.27 -2.14 0.10 0.00 0.00 175.35 173.61 3i4j s PRO 11 N -4.98 4.42 -0.27 1.78 0.02 -1.26 -5.01 135.00 129.69 3i4j s PRO 11 Ca 0.60 1.98 -0.02 0.00 0.02 0.00 0.00 61.00 63.58 3i4j s PRO 11 Cb -0.15 -3.22 0.03 0.00 0.02 0.00 0.00 34.50 31.18 3i4j s PRO 11 CO 0.55 -0.22 -0.03 0.71 -0.33 0.00 0.00 177.00 177.68 3i4j s TYR 12 N 0.19 3.13 0.61 6.54 2.02 -1.26 -5.10 117.35 123.49 3i4j s TYR 12 Ca 0.56 -1.61 -0.19 0.00 -0.37 0.00 0.00 57.07 55.46 3i4j s TYR 12 Cb -0.35 -2.09 -0.03 0.00 -0.40 0.00 0.00 41.96 39.10 3i4j s TYR 12 CO 0.37 -0.74 1.28 -2.14 -1.57 0.00 0.00 175.55 172.74 3i4j s PRO 13 N 1.31 2.81 -0.44 -1.71 0.02 -1.26 -4.95 135.00 130.78 3i4j s PRO 13 Ca -0.01 2.03 -0.15 0.00 0.02 0.00 0.00 61.00 62.88 3i4j s PRO 13 Cb -0.18 -1.96 0.05 0.00 0.02 0.00 0.00 34.50 32.43 3i4j s PRO 13 CO -0.03 -1.39 0.35 0.08 -0.33 0.00 0.00 177.00 175.68 3i4j s VAL 14 N -1.43 5.24 0.35 3.83 1.01 -1.26 -5.03 120.40 123.12 3i4j s VAL 14 Ca 0.79 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 61.65 3i4j s VAL 14 Cb -0.36 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 31.90 3i4j s VAL 14 CO 0.39 -0.44 1.13 0.00 0.00 0.00 0.00 175.10 176.18 3i4j s ALA 15 N 1.67 3.26 0.00 5.51 0.00 -1.26 -0.78 121.76 130.15 3i4j s ALA 15 Ca 0.05 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3i4j s ALA 15 Cb -0.22 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3i4j s ALA 15 CO 0.08 -0.35 0.00 1.33 0.00 0.00 0.00 175.76 176.82 3i4j n VAL 16 N 0.49 0.00 -3.63 0.00 0.24 0.05 -4.83 118.33 110.64 3i4j n VAL 16 Ca 0.02 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.16 3i4j n VAL 16 Cb 0.46 0.35 -0.07 0.00 -1.47 0.00 0.00 33.84 33.10 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 -1.47 0.87 -0.05 7.34 3.52 -1.08 -5.02 118.95 123.06 3i4j s ARG 17 Ca 0.00 0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.74 3i4j s ARG 17 Cb 0.00 0.40 0.02 0.00 -1.56 0.00 0.00 34.95 33.82 3i4j s ARG 17 CO 0.00 -0.25 -0.04 0.20 -0.81 0.00 0.00 175.30 174.40 3i4j s GLY 18 N -1.10 0.48 -0.13 8.12 0.00 -1.26 -0.33 107.32 113.11 3i4j s GLY 18 Ca -0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 44.72 44.46 3i4j s GLY 18 CO 0.07 0.60 0.08 1.85 0.00 0.00 0.00 173.10 175.70 3i4j s GLU 19 N 1.18 0.02 7.71 2.90 2.12 0.39 -3.06 118.70 129.96 3i4j s GLU 19 Ca -0.07 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.32 3i4j s GLU 19 Cb -0.14 -1.44 0.00 0.00 0.26 0.00 0.00 34.13 32.81 3i4j s GLU 19 CO -0.01 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 174.55 3i4j n GLY 20 N 5.28 3.18 1.01 -1.50 0.00 -0.30 -1.46 105.19 111.41 3i4j n GLY 20 Ca -0.06 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 0.68 -4.33 1.61 0.24 -1.26 -0.21 118.33 115.06 3i4j n VAL 21 Ca 0.00 -0.72 -0.31 0.00 -2.04 0.00 0.00 64.34 61.28 3i4j n VAL 21 Cb 0.00 0.43 -0.10 0.00 -1.47 0.00 0.00 33.84 32.71 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 -1.32 2.82 0.08 6.34 0.08 -0.53 0.28 117.98 125.73 3i4j s PHE 22 Ca 0.37 -0.10 0.10 0.00 0.12 0.00 0.00 56.93 57.42 3i4j s PHE 22 Cb 0.20 -1.52 -0.03 0.00 -0.57 0.00 0.00 43.02 41.10 3i4j s PHE 22 CO 0.26 0.40 -0.26 -0.51 -0.10 0.00 0.00 175.22 175.01 3i4j s LEU 23 N -1.88 2.22 -0.03 -0.37 1.43 -0.04 -0.46 118.68 119.56 3i4j s LEU 23 Ca 0.20 -0.64 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 3i4j s LEU 23 Cb -0.11 -1.24 -0.00 0.00 0.03 0.00 0.00 46.19 44.87 3i4j s LEU 23 CO 0.12 0.22 -0.14 -0.31 0.23 0.00 0.00 176.35 176.47 3i4j s TYR 24 N -0.90 1.35 0.58 0.29 2.02 0.56 -0.32 117.35 120.93 3i4j s TYR 24 Ca 0.12 -0.33 0.07 0.00 -0.37 0.00 0.00 57.07 56.57 3i4j s TYR 24 Cb -0.10 -0.91 0.07 0.00 -0.40 0.00 0.00 41.96 40.63 3i4j s TYR 24 CO 0.03 -0.10 0.61 0.16 -1.57 0.00 0.00 175.55 174.69 3i4j s ASP 25 N -0.05 4.81 -0.02 2.29 1.47 -0.61 -0.77 116.67 123.78 3i4j s ASP 25 Ca -0.00 -1.11 0.05 0.00 1.18 0.00 0.00 52.55 52.67 3i4j s ASP 25 Cb -0.09 0.50 0.19 0.00 -0.34 0.00 0.00 42.92 43.18 3i4j s ASP 25 CO 0.01 -1.29 1.04 -0.90 0.68 0.00 0.00 175.17 174.70 3i4j n ASP 26 N -2.04 1.52 -0.04 2.11 5.75 0.04 -3.46 116.55 120.43 3i4j n ASP 26 Ca 0.07 -2.09 0.05 0.00 -0.01 0.00 0.00 54.79 52.81 3i4j n ASP 26 Cb 0.63 -0.29 0.07 0.00 -1.03 0.00 0.00 41.12 40.51 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 0.12 2.12 -0.61 2.12 0.00 -1.26 -4.99 120.51 118.01 3i4j n ALA 27 Ca 0.07 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 51.67 3i4j n ALA 27 Cb 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.97 0.77 3.82 0.00 0.00 -1.22 -5.06 105.19 102.52 3i4j n GLY 28 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.39 4.14 0.02 1.61 1.81 -1.26 -4.93 118.95 119.95 3i4j s ARG 29 Ca 0.00 0.70 0.08 0.00 -1.72 0.00 0.00 55.73 54.78 3i4j s ARG 29 Cb 0.00 -3.02 -0.03 0.00 -0.45 0.00 0.00 34.95 31.45 3i4j s ARG 29 CO 0.00 0.51 -0.22 0.50 -0.68 0.00 0.00 175.30 175.40 3i4j s ARG 30 N -1.68 2.02 0.02 3.54 3.52 -1.26 -1.57 118.95 123.54 3i4j s ARG 30 Ca 0.36 -0.99 0.03 0.00 -0.13 0.00 0.00 55.73 55.00 3i4j s ARG 30 Cb -0.17 -2.10 -0.01 0.00 -1.56 0.00 0.00 34.95 31.10 3i4j s ARG 30 CO 0.20 0.54 -0.08 0.71 -0.81 0.00 0.00 175.30 175.86 3i4j s TYR 31 N -0.80 0.72 -0.22 5.12 2.02 0.57 -4.71 117.35 120.05 3i4j s TYR 31 Ca 0.12 -0.29 -0.16 0.00 -0.37 0.00 0.00 57.07 56.37 3i4j s TYR 31 Cb -0.10 -0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 40.98 3i4j s TYR 31 CO 0.02 -0.03 0.39 -1.17 -1.57 0.00 0.00 175.55 173.20 3i4j s LEU 32 N -0.85 4.13 -1.32 -1.29 0.20 -0.19 -0.86 118.68 118.50 3i4j s LEU 32 Ca -0.02 0.46 -0.17 0.00 0.69 0.00 0.00 54.13 55.08 3i4j s LEU 32 Cb -0.06 -2.49 0.04 0.00 -0.43 0.00 0.00 46.19 43.24 3i4j s LEU 32 CO 0.00 -0.10 1.93 -0.67 -0.29 0.00 0.00 176.35 177.22 3i4j n ASP 33 N 4.68 4.32 0.33 3.68 -0.08 0.14 -1.10 116.55 128.52 3i4j n ASP 33 Ca -0.08 -2.86 0.22 0.00 -1.51 0.00 0.00 54.79 50.55 3i4j n ASP 33 Cb 0.51 -1.69 1.13 0.00 2.34 0.00 0.00 41.12 43.41 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 12.20 0.00 -0.01 0.27 0.00 -1.64 -2.52 103.07 111.36 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 1.61 0.00 -0.00 -1.14 0.00 0.00 0.00 176.54 177.00 3i4j n SER 35 N -3.08 2.17 -4.02 0.19 3.41 -1.12 -0.87 113.62 110.30 3i4j n SER 35 Ca -0.02 -2.63 -0.30 0.00 -0.26 0.00 0.00 58.87 55.66 3i4j n SER 35 Cb 0.11 -0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 63.80 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 -1.04 -2.74 0.00 4.04 7.64 -0.95 0.84 113.62 121.41 3i4j n SER 36 Ca 0.09 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 59.04 3i4j n SER 36 Cb 0.48 -3.26 0.00 0.00 -1.01 0.00 0.00 64.21 60.42 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 -1.65 2.12 2.56 0.23 0.00 -1.26 -1.24 105.19 105.94 3i4j n GLY 37 Ca -0.07 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 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 3.64 3.78 -3.64 4.61 0.00 -1.18 -4.59 120.51 123.14 3i4j n ALA 38 Ca 0.00 -3.83 -0.23 0.00 0.00 0.00 0.00 53.44 49.39 3i4j n ALA 38 Cb 0.00 -0.79 0.06 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.13 -3.35 -0.06 0.00 4.32 0.25 -4.93 117.00 113.10 3i4j n LEU 39 Ca 0.25 -0.67 -0.11 0.00 -0.02 0.00 0.00 56.01 55.46 3i4j n LEU 39 Cb 0.65 -2.89 -0.04 0.00 -1.62 0.00 0.00 43.42 39.52 3i4j n LEU 39 CO 0.29 0.49 -0.88 0.52 -1.22 0.00 0.00 177.39 176.59 3i4j n VAL 40 N -4.55 0.61 -1.40 4.08 0.31 -0.38 -4.24 118.33 112.77 3i4j n VAL 40 Ca -0.13 -0.17 -0.39 0.00 -0.01 0.00 0.00 64.34 63.64 3i4j n VAL 40 Cb 0.61 -1.52 -0.02 0.00 -0.91 0.00 0.00 33.84 32.00 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 -3.38 6.41 0.16 3.52 0.00 -0.80 -3.66 120.51 122.76 3i4j n ALA 41 Ca -0.22 -3.51 0.10 0.00 0.00 0.00 0.00 53.44 49.82 3i4j n ALA 41 Cb 0.66 -3.42 0.62 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 5.61 0.08 -0.44 0.00 4.21 -1.88 -2.80 115.58 120.36 3i4j h ASN 42 Ca 0.72 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.22 3i4j h ASN 42 Cb 0.41 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 3i4j h ASN 42 CO 1.80 0.05 0.00 2.30 -1.29 0.00 0.00 177.43 180.30 3i4j n ILE 43 N -4.50 1.36 0.00 2.81 -5.35 -1.26 -0.08 119.36 112.33 3i4j n ILE 43 Ca 0.01 -1.18 0.00 0.00 -0.27 0.00 0.00 62.75 61.30 3i4j n ILE 43 Cb 0.19 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 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 0.60 -0.08 3.92 3.28 0.00 -1.06 -4.77 105.19 107.09 3i4j n GLY 44 Ca 0.17 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.15 3.49 -0.17 1.61 0.09 0.71 -4.60 115.29 114.26 3i4j s HIS 45 Ca 0.00 0.34 0.00 0.00 -0.00 0.00 0.00 55.06 55.40 3i4j s HIS 45 Cb 0.00 -1.85 0.00 0.00 -0.00 0.00 0.00 32.58 30.73 3i4j s HIS 45 CO 0.00 0.45 0.00 0.41 -0.00 0.00 0.00 174.74 175.60 3i4j n GLY 46 N -0.30 0.35 3.56 -2.22 0.00 -1.17 -1.15 105.19 104.25 3i4j n GLY 46 Ca -0.05 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.64 2.97 0.44 1.61 1.81 -1.26 -4.82 118.95 116.05 3i4j s ARG 47 Ca 0.00 0.37 0.13 0.00 -1.72 0.00 0.00 55.73 54.51 3i4j s ARG 47 Cb 0.00 -4.26 0.99 0.00 -0.45 0.00 0.00 34.95 31.23 3i4j s ARG 47 CO 0.00 -2.35 2.01 0.00 -0.68 0.00 0.00 175.30 174.28 3i4j h ALA 48 N 12.60 1.71 -0.30 2.13 0.00 -1.99 -2.49 119.26 130.92 3i4j h ALA 48 Ca -0.27 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.56 3i4j h ALA 48 Cb 1.11 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3i4j h ALA 48 CO 1.22 0.21 0.06 1.49 0.00 0.00 0.00 179.25 182.23 3i4j h GLU 49 N 0.12 0.16 -0.42 0.00 4.81 -2.00 0.34 114.58 117.59 3i4j h GLU 49 Ca 0.03 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3i4j h GLU 49 Cb 0.23 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3i4j h GLU 49 CO 0.01 0.10 0.08 0.28 -0.73 0.00 0.00 179.01 178.76 3i4j h VAL 50 N 0.16 1.24 -0.82 0.32 2.07 -1.82 -2.33 116.25 115.07 3i4j h VAL 50 Ca 0.14 -0.86 0.06 0.00 0.82 0.00 0.00 66.70 66.86 3i4j h VAL 50 Cb 0.15 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 3i4j h VAL 50 CO -0.19 0.30 0.50 1.23 0.02 0.00 0.00 177.57 179.43 3i4j h GLY 51 N 0.56 1.23 1.28 2.17 0.00 -1.05 -0.91 103.07 106.35 3i4j h GLY 51 Ca 0.13 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 3i4j h GLY 51 CO 0.01 0.24 0.02 0.83 0.00 0.00 0.00 176.54 177.64 3i4j h GLU 52 N 0.92 0.88 -0.27 4.80 4.39 -0.75 -0.85 114.58 123.70 3i4j h GLU 52 Ca 0.36 -0.24 -0.09 0.00 0.34 0.00 0.00 59.36 59.73 3i4j h GLU 52 Cb 0.17 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3i4j h GLU 52 CO -0.17 0.86 -0.24 0.00 -1.16 0.00 0.00 179.01 178.30 3i4j h ARG 53 N 0.82 0.51 -0.23 2.33 2.47 -0.77 -1.05 114.38 118.45 3i4j h ARG 53 Ca 0.16 -0.19 -0.19 0.00 -1.26 0.00 0.00 59.98 58.50 3i4j h ARG 53 Cb 0.46 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3i4j h ARG 53 CO 0.02 0.71 -0.61 0.52 0.56 0.00 0.00 179.97 181.17 3i4j h MET 54 N 0.45 0.82 -0.52 0.04 2.86 -0.84 -2.51 114.93 115.23 3i4j h MET 54 Ca 0.07 -0.58 -0.01 0.00 -2.06 0.00 0.00 59.70 57.12 3i4j h MET 54 Cb 0.66 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 3i4j h MET 54 CO 0.05 1.20 0.28 0.00 1.06 0.00 0.00 176.91 179.49 3i4j h ALA 55 N 0.62 0.67 -0.87 6.32 0.00 -0.92 -0.46 119.26 124.63 3i4j h ALA 55 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3i4j h ALA 55 Cb 1.23 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3i4j h ALA 55 CO 0.13 0.20 0.54 0.00 0.00 0.00 0.00 179.25 180.12 3i4j h ALA 56 N 1.11 1.10 -0.26 0.00 0.00 -1.17 -1.55 119.26 118.50 3i4j h ALA 56 Ca 0.18 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 3i4j h ALA 56 Cb 0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3i4j h ALA 56 CO -0.03 0.54 -0.44 0.37 0.00 0.00 0.00 179.25 179.70 3i4j h GLN 57 N 1.19 0.65 -0.58 0.00 5.75 -1.02 -2.11 115.11 118.98 3i4j h GLN 57 Ca 0.31 -0.35 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 3i4j h GLN 57 Cb -0.08 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 3i4j h GLN 57 CO -0.06 0.96 0.12 0.00 -2.65 0.00 0.00 178.83 177.19 3i4j h ALA 58 N 0.99 1.11 0.00 3.38 0.00 -0.68 0.13 119.26 124.19 3i4j h ALA 58 Ca 0.04 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3i4j h ALA 58 Cb 0.97 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3i4j h ALA 58 CO 0.09 0.59 -0.41 0.00 0.00 0.00 0.00 179.25 179.52 3i4j h ALA 59 N 1.25 0.89 0.00 0.00 0.00 -1.18 -3.34 119.26 116.89 3i4j h ALA 59 Ca 0.18 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 3i4j h ALA 59 Cb 0.35 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3i4j h ALA 59 CO 0.00 0.51 -1.26 -2.13 0.00 0.00 0.00 179.25 176.37 3i4j n ARG 60 N -3.42 0.53 -3.19 0.00 3.00 -0.80 -4.94 116.66 107.84 3i4j n ARG 60 Ca 0.00 0.46 0.01 0.00 -0.00 0.00 0.00 57.85 58.33 3i4j n ARG 60 Cb 0.58 -1.64 -0.01 0.00 0.00 0.00 0.00 32.46 31.38 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 -7.91 -1.52 0.13 6.15 2.96 0.41 -5.05 118.68 113.86 3i4j s LEU 61 Ca -0.27 -0.67 -0.01 0.00 -0.22 0.00 0.00 54.13 52.96 3i4j s LEU 61 Cb 0.06 1.94 -0.10 0.00 0.50 0.00 0.00 46.19 48.60 3i4j s LEU 61 CO 0.45 -0.18 1.30 1.55 -1.32 0.00 0.00 176.35 178.15 3i4j h PRO 62 N 7.06 0.27 -2.86 0.98 0.13 -1.65 -3.42 132.00 132.52 3i4j h PRO 62 Ca 0.04 -0.33 -0.14 0.00 -0.87 0.00 0.00 66.00 64.71 3i4j h PRO 62 Cb 1.18 0.10 -0.25 0.00 0.13 0.00 0.00 31.00 32.16 3i4j h PRO 62 CO 0.10 1.06 -0.32 0.12 -0.23 0.00 0.00 178.00 178.73 3i4j s PHE 63 N -3.10 -0.41 -0.06 1.56 5.36 -1.26 -3.67 117.98 116.40 3i4j s PHE 63 Ca -0.04 0.98 -0.13 0.00 -0.96 0.00 0.00 56.93 56.78 3i4j s PHE 63 Cb 0.09 0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.94 3i4j s PHE 63 CO 0.85 -0.21 0.31 0.14 -1.46 0.00 0.00 175.22 174.85 3i4j s VAL 64 N 0.43 0.04 -0.09 3.12 -7.23 -1.26 -5.04 120.40 110.36 3i4j s VAL 64 Ca -0.02 -0.30 -0.19 0.00 -1.81 0.00 0.00 61.98 59.66 3i4j s VAL 64 Cb -0.04 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.31 3i4j s VAL 64 CO -0.02 -0.16 0.50 -2.28 -0.31 0.00 0.00 175.10 172.83 3i4j s HIS 65 N -0.74 3.55 0.66 2.82 2.46 -1.26 -4.76 115.29 118.02 3i4j s HIS 65 Ca -0.08 0.96 0.36 0.00 0.47 0.00 0.00 55.06 56.76 3i4j s HIS 65 Cb -0.04 -2.56 1.95 0.00 -0.13 0.00 0.00 32.58 31.80 3i4j s HIS 65 CO 0.03 0.22 2.11 0.78 -2.47 0.00 0.00 174.74 175.40 3i4j h GLY 66 N 6.46 0.00 2.00 1.59 0.00 -1.75 0.10 103.07 111.47 3i4j h GLY 66 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3i4j h GLY 66 CO 0.74 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.14 3i4j n SER 67 N -3.03 0.15 -0.03 0.19 3.41 -1.26 -4.12 113.62 108.94 3i4j n SER 67 Ca -0.02 0.52 -0.05 0.00 -0.26 0.00 0.00 58.87 59.06 3i4j n SER 67 Cb 0.26 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.62 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 -1.65 0.14 -4.01 4.33 6.02 0.26 -5.10 117.38 117.38 3i4j n GLN 68 Ca 0.06 0.04 -0.08 0.00 -0.01 0.00 0.00 57.00 57.01 3i4j n GLN 68 Cb 0.32 -1.00 -0.10 0.00 1.02 0.00 0.00 30.24 30.49 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 -2.12 0.36 0.19 1.08 0.08 -0.62 -5.04 117.98 111.91 3i4j s PHE 69 Ca -0.08 -0.79 0.03 0.00 0.12 0.00 0.00 56.93 56.21 3i4j s PHE 69 Cb 0.02 -0.26 0.03 0.00 -0.57 0.00 0.00 43.02 42.24 3i4j s PHE 69 CO 0.13 -0.35 0.23 0.45 -0.10 0.00 0.00 175.22 175.57 3i4j n SER 70 N 0.54 1.00 -3.88 1.36 2.88 -1.26 -4.07 113.62 110.19 3i4j n SER 70 Ca -0.17 -1.56 -0.10 0.00 -1.33 0.00 0.00 58.87 55.71 3i4j n SER 70 Cb 0.59 -0.10 -0.09 0.00 -0.75 0.00 0.00 64.21 63.86 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 -2.17 0.09 0.33 -3.46 1.04 -1.26 -5.04 113.70 103.24 3i4j s SER 71 Ca 0.17 -0.41 0.02 0.00 0.48 0.00 0.00 55.95 56.21 3i4j s SER 71 Cb -0.01 0.26 0.58 0.00 0.10 0.00 0.00 66.02 66.94 3i4j s SER 71 CO 0.11 -0.52 1.93 -2.24 0.98 0.00 0.00 173.24 173.50 3i4j h ASP 72 N 3.61 0.66 0.06 7.02 2.03 -2.01 -1.17 116.42 126.63 3i4j h ASP 72 Ca -0.32 -0.07 -0.12 0.00 -0.73 0.00 0.00 57.03 55.79 3i4j h ASP 72 Cb 1.19 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.51 3i4j h ASP 72 CO 0.48 0.59 -0.39 -0.37 -1.03 0.00 0.00 179.24 178.52 3i4j h VAL 73 N 0.73 1.30 -0.23 4.15 -1.51 -1.96 -0.70 116.25 118.03 3i4j h VAL 73 Ca 0.18 -1.52 -0.13 0.00 -1.23 0.00 0.00 66.70 64.00 3i4j h VAL 73 Cb 0.12 1.58 -0.00 0.00 -2.13 0.00 0.00 31.29 30.85 3i4j h VAL 73 CO -0.02 0.47 -0.36 0.25 -1.23 0.00 0.00 177.57 176.68 3i4j h LEU 74 N 0.37 0.72 -0.60 4.19 5.85 -1.80 0.14 115.31 124.18 3i4j h LEU 74 Ca 0.04 -0.52 0.03 0.00 0.84 0.00 0.00 57.88 58.27 3i4j h LEU 74 Cb 0.85 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 3i4j h LEU 74 CO 0.07 1.10 0.36 -0.33 -0.34 0.00 0.00 178.44 179.30 3i4j h GLU 75 N 0.36 0.68 0.08 1.25 4.39 -1.05 0.50 114.58 120.79 3i4j h GLU 75 Ca 0.02 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 3i4j h GLU 75 Cb 0.95 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 3i4j h GLU 75 CO 0.08 0.45 -0.04 1.49 -1.16 0.00 0.00 179.01 179.83 3i4j h GLU 76 N 0.70 -0.10 -0.63 2.33 4.81 -1.03 -3.13 114.58 117.53 3i4j h GLU 76 Ca 0.25 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 3i4j h GLU 76 Cb 0.05 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3i4j h GLU 76 CO -0.12 0.17 0.36 -0.92 -0.73 0.00 0.00 179.01 177.78 3i4j h TYR 77 N -0.37 0.85 -0.58 0.92 3.20 -0.76 -1.92 116.97 118.31 3i4j h TYR 77 Ca -0.01 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.94 3i4j h TYR 77 Cb 0.32 -0.28 -0.07 0.00 1.54 0.00 0.00 36.73 38.24 3i4j h TYR 77 CO 0.01 0.60 0.21 0.00 -1.64 0.00 0.00 178.16 177.34 3i4j h ALA 78 N 1.18 0.73 -0.34 1.82 0.00 -0.94 0.31 119.26 122.02 3i4j h ALA 78 Ca 0.22 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 3i4j h ALA 78 Cb 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3i4j h ALA 78 CO -0.04 -0.20 -0.14 0.78 0.00 0.00 0.00 179.25 179.65 3i4j h GLY 79 N 0.39 0.75 0.97 0.00 0.00 -1.46 -1.58 103.07 102.14 3i4j h GLY 79 Ca 0.29 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3i4j h GLY 79 CO -0.30 0.60 0.22 3.21 0.00 0.00 0.00 176.54 180.27 3i4j h ARG 80 N 0.47 0.62 -0.05 4.80 2.47 -0.71 -2.19 114.38 119.78 3i4j h ARG 80 Ca 0.08 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3i4j h ARG 80 Cb 0.66 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.86 3i4j h ARG 80 CO 0.04 0.52 0.01 1.25 0.56 0.00 0.00 179.97 182.35 3i4j h LEU 81 N 0.57 0.09 -0.66 3.04 5.85 -0.39 -1.55 115.31 122.25 3i4j h LEU 81 Ca 0.15 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.73 3i4j h LEU 81 Cb 0.09 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 3i4j h LEU 81 CO -0.02 0.32 0.23 0.00 -0.34 0.00 0.00 178.44 178.63 3i4j h ALA 82 N 0.77 0.87 -0.44 1.25 0.00 -1.21 -1.93 119.26 118.57 3i4j h ALA 82 Ca 0.02 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3i4j h ALA 82 Cb 0.27 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3i4j h ALA 82 CO 0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 179.25 178.91 3i4j h ARG 83 N 0.39 0.86 -0.49 0.00 3.08 -1.29 0.10 114.38 117.02 3i4j h ARG 83 Ca 0.35 -0.34 0.04 0.00 0.07 0.00 0.00 59.98 60.09 3i4j h ARG 83 Cb 0.48 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 3i4j h ARG 83 CO -0.36 0.98 0.26 0.35 -1.07 0.00 0.00 179.97 180.13 3i4j h PHE 84 N 0.68 0.48 -0.01 3.04 3.57 -0.55 -2.18 116.94 121.98 3i4j h PHE 84 Ca 0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3i4j h PHE 84 Cb 0.67 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.27 3i4j h PHE 84 CO 0.05 0.25 0.00 1.33 -2.23 0.00 0.00 178.31 177.71 3i4j n VAL 85 N -4.87 0.01 -1.54 1.41 0.24 -0.81 -4.81 118.33 107.96 3i4j n VAL 85 Ca 0.04 -0.02 -0.02 0.00 -2.04 0.00 0.00 64.34 62.30 3i4j n VAL 85 Cb 0.11 -0.32 -0.00 0.00 -1.47 0.00 0.00 33.84 32.16 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 0.87 0.41 2.56 7.63 0.00 -0.82 -4.65 105.19 111.20 3i4j n GLY 86 Ca 0.17 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.27 2.80 -0.09 0.99 4.77 -0.00 -4.97 117.00 120.23 3i4j n LEU 87 Ca -0.02 -4.90 0.26 0.00 -0.03 0.00 0.00 56.01 51.32 3i4j n LEU 87 Cb 0.29 0.05 0.70 0.00 -2.33 0.00 0.00 43.42 42.13 3i4j n LEU 87 CO 0.03 2.11 1.24 1.55 -1.33 0.00 0.00 177.39 180.99 3i4j h PRO 88 N 2.90 0.00 -0.01 3.23 0.13 -1.79 -1.27 132.00 135.19 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 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3i4j h PRO 88 CO 0.66 0.00 -0.55 0.25 -0.23 0.00 0.00 178.00 178.13 3i4j n THR 89 N -3.84 0.00 -1.68 1.56 -2.24 -1.26 -4.72 114.28 102.10 3i4j n THR 89 Ca 0.15 -0.15 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 3i4j n THR 89 Cb 0.95 0.91 0.05 0.00 -2.10 0.00 0.00 70.33 70.14 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 -2.65 2.70 -0.19 4.78 0.40 -0.48 -4.25 117.98 118.29 3i4j s PHE 90 Ca 0.17 1.54 -0.08 0.00 -0.60 0.00 0.00 56.93 57.95 3i4j s PHE 90 Cb 0.18 -3.10 -0.04 0.00 0.51 0.00 0.00 43.02 40.56 3i4j s PHE 90 CO 0.64 -1.60 0.09 1.03 0.70 0.00 0.00 175.22 176.08 3i4j s ARG 91 N -4.32 4.04 -0.26 0.44 1.81 0.17 -4.85 118.95 115.98 3i4j s ARG 91 Ca 0.65 -0.31 -0.16 0.00 -1.72 0.00 0.00 55.73 54.19 3i4j s ARG 91 Cb -0.19 -3.30 -0.03 0.00 -0.45 0.00 0.00 34.95 30.98 3i4j s ARG 91 CO 0.45 0.26 0.44 0.12 -0.68 0.00 0.00 175.30 175.88 3i4j s PHE 92 N 0.44 3.27 -0.39 -0.53 5.36 -1.26 -0.88 117.98 123.99 3i4j s PHE 92 Ca 0.05 0.53 -0.09 0.00 -0.96 0.00 0.00 56.93 56.46 3i4j s PHE 92 Cb -0.12 -2.63 0.06 0.00 -0.34 0.00 0.00 43.02 39.99 3i4j s PHE 92 CO -0.00 -0.23 0.21 -0.46 -1.46 0.00 0.00 175.22 173.28 3i4j s TRP 93 N 2.11 3.31 -0.02 10.12 -0.11 -0.02 -4.97 118.94 129.35 3i4j s TRP 93 Ca 0.18 -1.41 -0.19 0.00 1.22 0.00 0.00 56.10 55.91 3i4j s TRP 93 Cb -0.16 -2.70 -0.05 0.00 -1.50 0.00 0.00 33.47 29.06 3i4j s TRP 93 CO 0.09 -0.78 0.52 0.00 -4.62 0.00 0.00 176.95 172.17 3i4j s ALA 94 N 1.44 3.54 0.14 5.86 0.00 -1.26 -1.35 121.76 130.13 3i4j s ALA 94 Ca 0.02 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.93 3i4j s ALA 94 Cb -0.21 -2.63 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 3i4j s ALA 94 CO 0.03 0.23 0.10 1.33 0.00 0.00 0.00 175.76 177.45 3i4j n VAL 95 N 2.59 0.00 -0.03 0.00 0.24 0.03 -3.34 118.33 117.83 3i4j n VAL 95 Ca -0.09 -0.96 0.05 0.00 -2.04 0.00 0.00 64.34 61.31 3i4j n VAL 95 Cb 0.51 0.45 -0.16 0.00 -1.47 0.00 0.00 33.84 33.18 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 -2.35 0.07 -4.06 -1.34 7.64 -1.26 -1.46 113.62 110.85 3i4j n SER 96 Ca 0.02 0.03 -0.09 0.00 1.01 0.00 0.00 58.87 59.84 3i4j n SER 96 Cb 0.24 1.62 -0.09 0.00 -1.01 0.00 0.00 64.21 64.97 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 -4.77 0.63 0.24 0.23 0.00 -1.26 -3.04 107.32 99.35 3i4j s GLY 97 Ca -0.08 -1.17 -0.07 0.00 0.00 0.00 0.00 44.72 43.41 3i4j s GLY 97 CO 0.88 -1.17 1.89 -1.33 0.00 0.00 0.00 173.10 173.37 3i4j h GLY 98 N 2.86 1.37 0.98 0.20 0.00 -1.89 -1.74 103.07 104.85 3i4j h GLY 98 Ca -0.34 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.41 3i4j h GLY 98 CO 0.58 0.55 0.27 0.23 0.00 0.00 0.00 176.54 178.17 3i4j h SER 99 N 1.30 0.57 -0.85 0.19 0.87 -1.96 0.19 113.55 113.85 3i4j h SER 99 Ca 0.34 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 3i4j h SER 99 Cb -0.06 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 61.72 3i4j h SER 99 CO -0.06 0.48 0.46 -0.33 -0.53 0.00 0.00 176.83 176.85 3i4j h GLU 100 N 0.61 1.20 -0.49 2.24 5.08 -1.90 -0.92 114.58 120.40 3i4j h GLU 100 Ca 0.16 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3i4j h GLU 100 Cb 0.03 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3i4j h GLU 100 CO -0.03 0.89 0.08 0.00 -1.00 0.00 0.00 179.01 178.95 3i4j h ALA 101 N 1.30 0.66 -0.31 3.43 0.00 -0.78 -1.00 119.26 122.56 3i4j h ALA 101 Ca 0.30 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3i4j h ALA 101 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3i4j h ALA 101 CO -0.05 0.39 0.05 1.15 0.00 0.00 0.00 179.25 180.80 3i4j h THR 102 N 0.69 1.23 -0.31 0.00 2.02 -0.66 -1.67 112.91 114.22 3i4j h THR 102 Ca 0.15 -0.80 -0.05 0.00 0.77 0.00 0.00 66.41 66.48 3i4j h THR 102 Cb 0.40 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3i4j h THR 102 CO 0.01 0.26 -0.03 -0.33 0.37 0.00 0.00 175.52 175.80 3i4j h GLU 103 N 0.33 0.49 -0.64 6.66 4.39 -1.09 -1.96 114.58 122.76 3i4j h GLU 103 Ca 0.09 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 3i4j h GLU 103 Cb 0.34 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3i4j h GLU 103 CO 0.01 0.55 0.08 0.77 -1.16 0.00 0.00 179.01 179.25 3i4j h SER 104 N 0.47 1.03 -0.59 1.42 0.02 -0.93 -0.74 113.55 114.23 3i4j h SER 104 Ca 0.10 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 3i4j h SER 104 Cb 0.36 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 3i4j h SER 104 CO 0.01 1.03 0.21 0.00 -1.14 0.00 0.00 176.83 176.95 3i4j h ALA 105 N 1.08 0.78 -0.28 3.77 0.00 -0.73 -0.17 119.26 123.70 3i4j h ALA 105 Ca 0.19 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3i4j h ALA 105 Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i4j h ALA 105 CO 0.02 0.42 0.00 0.28 0.00 0.00 0.00 179.25 179.97 3i4j h VAL 106 N 0.83 1.26 -0.53 0.00 2.07 -1.14 -1.23 116.25 117.50 3i4j h VAL 106 Ca 0.19 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.81 3i4j h VAL 106 Cb 0.25 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3i4j h VAL 106 CO -0.01 0.30 0.32 0.50 0.02 0.00 0.00 177.57 178.70 3i4j h LYS 107 N 0.28 0.62 -0.57 1.57 3.11 -0.94 -1.95 116.57 118.69 3i4j h LYS 107 Ca 0.08 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.86 3i4j h LYS 107 Cb 0.43 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.49 3i4j h LYS 107 CO 0.01 0.41 0.27 1.25 -2.81 0.00 0.00 179.45 178.59 3i4j h LEU 108 N 0.64 0.75 -0.64 5.20 5.85 -0.89 0.09 115.31 126.31 3i4j h LEU 108 Ca 0.21 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.80 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 0.68 0.40 0.00 -0.34 0.00 0.00 178.44 179.09 3i4j h ALA 109 N 1.11 0.81 -0.17 1.25 0.00 -0.89 0.35 119.26 121.72 3i4j h ALA 109 Ca 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3i4j h ALA 109 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3i4j h ALA 109 CO -0.02 0.27 -0.00 -0.09 0.00 0.00 0.00 179.25 179.40 3i4j h ARG 110 N 0.87 0.31 -0.98 0.00 9.65 -1.09 -3.10 114.38 120.03 3i4j h ARG 110 Ca 0.23 -0.10 0.01 0.00 -1.10 0.00 0.00 59.98 59.02 3i4j h ARG 110 Cb -0.05 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.45 3i4j h ARG 110 CO -0.05 0.53 0.65 0.37 2.80 0.00 0.00 179.97 184.27 3i4j h GLN 111 N 0.05 1.29 -0.54 0.20 4.15 -0.71 -2.54 115.11 117.01 3i4j h GLN 111 Ca 0.05 -0.08 0.11 0.00 0.77 0.00 0.00 58.65 59.50 3i4j h GLN 111 Cb 0.39 -0.29 -0.10 0.00 0.21 0.00 0.00 27.48 27.69 3i4j h GLN 111 CO 0.01 0.86 -0.06 -0.92 -1.93 0.00 0.00 178.83 176.79 3i4j h TYR 112 N 1.33 -0.14 -0.20 3.99 3.20 -0.86 0.31 116.97 124.60 3i4j h TYR 112 Ca 0.36 0.04 -0.17 0.00 3.14 0.00 0.00 58.73 62.11 3i4j h TYR 112 Cb -0.15 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 3i4j h TYR 112 CO -0.00 -0.18 -0.57 0.45 -1.64 0.00 0.00 178.16 176.22 3i4j h HIS 113 N 0.06 0.79 -0.73 -3.82 3.86 -1.48 -2.80 115.15 111.03 3i4j h HIS 113 Ca 0.27 -0.29 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 3i4j h HIS 113 Cb 0.42 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 3i4j h HIS 113 CO -0.38 1.04 0.24 0.28 0.86 0.00 0.00 177.93 179.97 3i4j h VAL 114 N 0.47 1.26 -0.06 2.45 2.07 -0.98 0.68 116.25 122.14 3i4j h VAL 114 Ca 0.01 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 3i4j h VAL 114 Cb 1.13 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3i4j h VAL 114 CO 0.11 0.35 -0.23 -0.08 0.02 0.00 0.00 177.57 177.74 3i4j h GLU 115 N 1.08 0.10 -0.15 1.57 4.57 -0.92 -2.12 114.58 118.71 3i4j h GLU 115 Ca 0.24 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 3i4j h GLU 115 Cb 0.29 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 3i4j h GLU 115 CO -0.01 0.33 0.00 0.54 -1.18 0.00 0.00 179.01 178.69 3i4j n ARG 116 N -4.23 1.51 -1.73 1.92 1.74 -0.95 -4.90 116.66 110.03 3i4j n ARG 116 Ca -0.02 -0.78 -0.02 0.00 -0.77 0.00 0.00 57.85 56.26 3i4j n ARG 116 Cb 0.31 -1.31 -0.00 0.00 -1.02 0.00 0.00 32.46 30.44 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 0.98 0.37 2.56 -0.13 0.00 -0.80 -4.98 105.19 103.19 3i4j n GLY 117 Ca 0.13 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.76 2.24 0.00 1.61 1.02 0.19 -4.90 120.64 119.04 3i4j n GLU 118 Ca -0.02 -4.26 0.04 0.00 -0.02 0.00 0.00 57.16 52.90 3i4j n GLU 118 Cb 0.37 -1.99 0.21 0.00 -0.02 0.00 0.00 31.44 30.01 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 0.29 0.07 0.24 3.49 -0.04 -1.26 -2.27 135.00 135.52 3i4j n PRO 119 Ca 0.28 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 64.13 3i4j n PRO 119 Cb 0.48 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.91 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 1.49 0.00 -7.16 0.55 0.00 -1.91 -3.41 103.07 92.64 3i4j h GLY 120 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 3i4j h GLY 120 CO 0.00 0.00 0.75 0.50 0.00 0.00 0.00 176.54 177.79 3i4j s ARG 121 N -3.53 3.30 0.00 4.80 0.52 -0.96 -4.23 118.95 118.85 3i4j s ARG 121 Ca 0.02 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 3i4j s ARG 121 Cb 0.09 -4.11 0.00 0.00 0.52 0.00 0.00 34.95 31.45 3i4j s ARG 121 CO 0.61 -1.74 0.00 1.97 0.02 0.00 0.00 175.30 176.16 3i4j n PHE 122 N 8.13 0.00 -2.35 -0.53 1.16 -0.65 -4.39 117.46 118.82 3i4j n PHE 122 Ca 0.02 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.20 3i4j n PHE 122 Cb 0.48 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 -0.93 4.47 -0.30 3.97 1.02 -0.55 -4.59 119.74 122.85 3i4j s LYS 123 Ca 0.00 1.92 0.03 0.00 0.02 0.00 0.00 55.97 57.94 3i4j s LYS 123 Cb 0.00 -3.07 0.07 0.00 -0.52 0.00 0.00 37.83 34.31 3i4j s LYS 123 CO 0.00 0.02 -0.04 0.08 -0.92 0.00 0.00 175.35 174.50 3i4j s VAL 124 N -1.20 2.31 0.08 3.17 1.01 0.45 0.21 120.40 126.43 3i4j s VAL 124 Ca 0.48 -1.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.27 3i4j s VAL 124 Cb -0.34 -2.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.50 3i4j s VAL 124 CO 0.44 -0.26 1.09 -0.63 0.00 0.00 0.00 175.10 175.74 3i4j s ILE 125 N 1.04 4.24 0.30 2.22 1.01 0.37 -4.08 121.20 126.30 3i4j s ILE 125 Ca -0.01 1.71 0.05 0.00 0.00 0.00 0.00 60.65 62.40 3i4j s ILE 125 Cb -0.20 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 38.12 3i4j s ILE 125 CO -0.06 0.19 0.01 0.42 0.00 0.00 0.00 174.94 175.51 3i4j s THR 126 N 0.57 1.31 -0.02 2.92 -4.23 -1.07 -0.59 115.64 114.53 3i4j s THR 126 Ca 0.53 -2.04 0.06 0.00 -1.18 0.00 0.00 61.69 59.06 3i4j s THR 126 Cb -0.27 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 3i4j s THR 126 CO 0.31 -0.15 -0.20 -0.60 -0.54 0.00 0.00 174.62 173.43 3i4j s ARG 127 N -3.83 2.24 0.33 3.99 3.52 -1.26 -0.59 118.95 123.34 3i4j s ARG 127 Ca 0.33 -0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 54.78 3i4j s ARG 127 Cb 0.07 -2.19 -0.11 0.00 -1.56 0.00 0.00 34.95 31.16 3i4j s ARG 127 CO 0.13 0.58 1.46 0.08 -0.81 0.00 0.00 175.30 176.75 3i4j s VAL 128 N -0.72 2.29 -0.20 7.11 1.01 -0.13 -1.24 120.40 128.52 3i4j s VAL 128 Ca 0.11 0.27 0.15 0.00 0.00 0.00 0.00 61.98 62.52 3i4j s VAL 128 Cb -0.10 -3.17 0.55 0.00 0.00 0.00 0.00 36.38 33.66 3i4j s VAL 128 CO 0.01 0.06 1.46 -0.81 0.00 0.00 0.00 175.10 175.82 3i4j n PRO 129 N 1.18 2.93 0.00 2.72 -0.04 -1.26 -3.84 135.00 136.69 3i4j n PRO 129 Ca 0.03 -2.91 0.00 0.00 -0.04 0.00 0.00 63.50 60.58 3i4j n PRO 129 Cb 0.40 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 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 -0.52 0.00 -0.07 3.54 7.64 -0.37 -4.88 113.62 118.96 3i4j n SER 130 Ca 0.24 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.92 3i4j n SER 130 Cb 0.95 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 64.03 3i4j n SER 130 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3i4j h ARG 148 N 0.00 0.06 0.00 1.43 2.43 -2.06 -3.49 114.38 112.75 3i4j h ARG 148 Ca 0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3i4j h ARG 148 Cb 0.00 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3i4j h ARG 148 CO 0.00 1.05 0.00 -0.85 -1.51 0.00 0.00 179.97 178.66 3i4j n GLU 149 N -4.32 0.03 0.04 0.20 0.00 -1.26 -1.39 120.64 113.94 3i4j n GLU 149 Ca -0.27 0.38 0.13 0.00 0.00 0.00 0.00 57.16 57.40 3i4j n GLU 149 Cb 0.70 -1.58 0.32 0.00 0.00 0.00 0.00 31.44 30.88 3i4j n GLU 149 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3i4j n LEU 150 N -1.64 0.52 -0.08 -1.84 4.77 -1.26 -4.07 117.00 113.39 3i4j n LEU 150 Ca 0.02 0.26 0.03 0.00 -0.03 0.00 0.00 56.01 56.28 3i4j n LEU 150 Cb 0.11 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 40.91 3i4j n LEU 150 CO 0.10 -0.01 0.12 -1.22 -1.33 0.00 0.00 177.39 175.05 3i4j n TYR 151 N -1.82 0.00 0.30 -1.77 4.01 -0.49 -4.63 117.16 112.76 3i4j n TYR 151 Ca 0.05 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.95 3i4j n TYR 151 Cb 0.39 0.00 0.94 0.00 -0.31 0.00 0.00 39.34 40.35 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 0.42 0.42 0.00 -0.72 1.03 -1.67 -2.25 112.91 110.13 3i4j h THR 152 Ca 0.00 -0.12 -0.01 0.00 -0.01 0.00 0.00 66.41 66.27 3i4j h THR 152 Cb 0.16 1.08 -0.00 0.00 -1.07 0.00 0.00 68.15 68.32 3i4j h THR 152 CO 0.00 0.02 -0.04 -0.65 -0.01 0.00 0.00 175.52 174.84 3i4j h PRO 153 N 0.00 0.00 0.00 0.00 0.11 -1.84 -1.01 132.00 129.26 3i4j h PRO 153 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3i4j h PRO 153 Cb 0.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.19 3i4j h PRO 153 CO 0.00 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.12 3i4j n LEU 154 N -3.83 0.49 0.12 2.35 4.77 -0.85 -2.02 117.00 118.03 3i4j n LEU 154 Ca -0.03 0.64 0.12 0.00 -0.03 0.00 0.00 56.01 56.72 3i4j n LEU 154 Cb 0.13 -0.60 0.28 0.00 -2.33 0.00 0.00 43.42 40.91 3i4j n LEU 154 CO 0.29 -0.56 0.70 0.24 -1.33 0.00 0.00 177.39 176.73 3i4j h MET 155 N 0.00 0.00 -6.77 3.23 2.86 -1.36 -3.46 114.93 109.43 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 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 3i4j h MET 155 CO 0.00 0.00 0.42 1.03 1.06 0.00 0.00 176.91 179.42 3i4j s ARG 156 N -3.15 4.73 0.40 1.72 0.52 -0.86 -4.93 118.95 117.37 3i4j s ARG 156 Ca 0.08 1.67 0.10 0.00 -0.52 0.00 0.00 55.73 57.06 3i4j s ARG 156 Cb 0.11 -3.23 0.89 0.00 0.52 0.00 0.00 34.95 33.24 3i4j s ARG 156 CO 0.65 0.33 1.96 -1.35 0.02 0.00 0.00 175.30 176.91 3i4j h PRO 157 N 4.03 0.56 0.00 3.54 0.11 -1.89 -0.37 132.00 137.99 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 0.37 0.00 0.39 -0.21 0.00 0.00 178.00 179.23 3i4j n GLU 158 N -4.48 0.05 0.00 1.05 1.02 -1.26 -2.15 120.64 114.86 3i4j n GLU 158 Ca 0.11 0.27 0.14 0.00 -0.02 0.00 0.00 57.16 57.65 3i4j n GLU 158 Cb 0.32 -1.50 0.62 0.00 -0.02 0.00 0.00 31.44 30.85 3i4j n GLU 158 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i4j n ALA 159 N -1.44 2.68 -3.17 0.62 0.00 -0.15 -4.35 120.51 114.70 3i4j n ALA 159 Ca 0.04 -0.21 -0.26 0.00 0.00 0.00 0.00 53.44 53.01 3i4j n ALA 159 Cb 0.13 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.22 3.22 -1.74 0.00 7.02 -0.92 -0.41 117.44 123.39 3i4j n TRP 160 Ca 0.12 -4.01 -0.34 0.00 -1.02 0.00 0.00 57.50 52.25 3i4j n TRP 160 Cb 0.29 -0.50 0.05 0.00 -2.42 0.00 0.00 31.31 28.73 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 -2.83 2.69 -0.09 -0.99 0.04 -1.26 -4.87 135.00 127.69 3i4j s PRO 161 Ca 0.44 1.55 0.02 0.00 0.04 0.00 0.00 61.00 63.05 3i4j s PRO 161 Cb 0.23 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.83 3i4j s PRO 161 CO -0.08 -1.37 -0.16 0.15 0.04 0.00 0.00 177.00 175.58 3i4j s LYS 162 N -3.89 2.95 0.08 4.56 -0.14 -1.26 -2.61 119.74 119.42 3i4j s LYS 162 Ca 0.70 -0.74 -0.10 0.00 -1.36 0.00 0.00 55.97 54.47 3i4j s LYS 162 Cb -0.24 -2.45 -0.06 0.00 -1.68 0.00 0.00 37.83 33.40 3i4j s LYS 162 CO 0.40 0.37 0.40 -1.17 -0.76 0.00 0.00 175.35 174.59 3i4j s LEU 163 N -0.07 4.35 0.76 3.17 2.96 0.24 -4.94 118.68 125.15 3i4j s LEU 163 Ca -0.03 0.79 -0.15 0.00 -0.22 0.00 0.00 54.13 54.52 3i4j s LEU 163 Cb -0.14 -2.96 0.05 0.00 0.50 0.00 0.00 46.19 43.64 3i4j s LEU 163 CO 0.04 0.18 1.23 -2.84 -1.32 0.00 0.00 176.35 173.64 3i4j s PRO 164 N -1.88 1.91 0.47 0.98 0.02 -1.26 -0.95 135.00 134.29 3i4j s PRO 164 Ca 0.33 1.84 -0.25 0.00 0.02 0.00 0.00 61.00 62.94 3i4j s PRO 164 Cb -0.14 -1.80 -0.08 0.00 0.02 0.00 0.00 34.50 32.51 3i4j s PRO 164 CO 0.18 -2.03 1.41 1.17 -0.33 0.00 0.00 177.00 177.40 3i4j n LYS 165 N -2.89 2.12 -1.95 5.54 4.81 -1.25 -4.45 118.16 120.09 3i4j n LYS 165 Ca 0.14 0.76 -0.34 0.00 -0.87 0.00 0.00 58.31 58.00 3i4j n LYS 165 Cb 0.50 -2.61 0.03 0.00 0.02 0.00 0.00 35.03 32.97 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 -2.53 2.97 -0.40 1.64 0.04 -1.26 -5.01 135.00 130.46 3i4j s PRO 166 Ca 0.63 1.56 0.04 0.00 0.04 0.00 0.00 61.00 63.27 3i4j s PRO 166 Cb -0.44 -1.96 0.11 0.00 0.04 0.00 0.00 34.50 32.25 3i4j s PRO 166 CO 0.56 -1.14 0.12 0.34 0.04 0.00 0.00 177.00 176.91 3i4j s ASP 167 N -2.12 4.59 0.26 6.66 -1.08 -1.26 -4.97 116.67 118.76 3i4j s ASP 167 Ca 0.71 -2.42 0.18 0.00 -0.52 0.00 0.00 52.55 50.50 3i4j s ASP 167 Cb -0.24 -1.61 0.96 0.00 -1.46 0.00 0.00 42.92 40.57 3i4j s ASP 167 CO 0.35 -0.33 1.55 -0.81 0.52 0.00 0.00 175.17 176.45 3i4j n PRO 168 N 3.90 0.12 0.00 4.34 -0.04 -1.26 -1.24 135.00 140.81 3i4j n PRO 168 Ca 0.04 0.60 0.13 0.00 -0.04 0.00 0.00 63.50 64.24 3i4j n PRO 168 Cb 0.39 -1.87 0.44 0.00 -0.04 0.00 0.00 33.50 32.41 3i4j n PRO 168 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i4j n ALA 169 N -1.73 3.03 -2.86 0.55 0.00 -1.26 -4.48 120.51 113.77 3i4j n ALA 169 Ca -0.01 -0.31 -0.26 0.00 0.00 0.00 0.00 53.44 52.86 3i4j n ALA 169 Cb 0.04 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.69 3.11 -0.02 0.00 3.52 -0.37 -5.04 118.95 117.47 3i4j s ARG 170 Ca 0.21 -0.79 -0.34 0.00 -0.13 0.00 0.00 55.73 54.68 3i4j s ARG 170 Cb 0.19 -2.76 -0.12 0.00 -1.56 0.00 0.00 34.95 30.70 3i4j s ARG 170 CO 0.56 0.49 1.79 -1.71 -0.81 0.00 0.00 175.30 175.62 3i4j n ASN 171 N -0.54 3.33 -0.21 -2.12 2.85 -1.26 -4.65 115.26 112.65 3i4j n ASN 171 Ca -0.08 1.01 -0.01 0.00 -0.11 0.00 0.00 54.58 55.39 3i4j n ASN 171 Cb 0.55 -1.38 0.06 0.00 1.24 0.00 0.00 39.78 40.25 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 8.24 0.46 0.95 8.20 0.00 -1.76 -0.04 103.07 119.11 3i4j h GLY 172 Ca -0.47 0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3i4j h GLY 172 CO 0.93 -0.24 0.18 0.00 0.00 0.00 0.00 176.54 177.41 3i4j h ALA 173 N 1.62 0.52 -0.71 3.60 0.00 -1.72 -0.53 119.26 122.04 3i4j h ALA 173 Ca 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3i4j h ALA 173 Cb 0.46 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3i4j h ALA 173 CO -0.64 0.10 0.34 0.93 0.00 0.00 0.00 179.25 179.98 3i4j h GLU 174 N 0.50 1.00 -0.52 0.00 5.08 -1.75 -1.71 114.58 117.18 3i4j h GLU 174 Ca 0.14 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3i4j h GLU 174 Cb 0.16 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3i4j h GLU 174 CO -0.01 0.77 -0.00 0.22 -1.00 0.00 0.00 179.01 178.99 3i4j h ASP 175 N 1.00 0.90 0.60 1.42 3.58 -0.68 -2.73 116.42 120.52 3i4j h ASP 175 Ca 0.25 -0.31 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 3i4j h ASP 175 Cb 0.10 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.90 3i4j h ASP 175 CO -0.03 0.99 -0.14 0.00 -2.88 0.00 0.00 179.24 177.18 3i4j h ALA 176 N 0.94 1.15 0.00 -0.78 0.00 -0.62 -2.53 119.26 117.43 3i4j h ALA 176 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i4j h ALA 176 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3i4j h ALA 176 CO 0.03 0.18 0.14 1.49 0.00 0.00 0.00 179.25 181.08 3i4j h GLU 177 N 0.00 0.00 0.00 0.00 4.57 -0.99 0.13 114.58 118.28 3i4j h GLU 177 Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3i4j h GLU 177 Cb 0.48 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 3i4j h GLU 177 CO 0.02 0.00 -0.01 0.78 -1.18 0.00 0.00 179.01 178.61 3i4j h GLY 178 N 0.00 0.00 1.19 1.92 0.00 -1.60 -1.39 103.07 103.19 3i4j h GLY 178 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3i4j h GLY 178 CO 0.00 0.00 -0.16 -2.00 0.00 0.00 0.00 176.54 174.38 3i4j h LEU 179 N 0.00 0.95 -0.57 3.11 5.85 -0.99 -1.45 115.31 122.22 3i4j h LEU 179 Ca -0.00 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.33 3i4j h LEU 179 Cb 0.03 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3i4j h LEU 179 CO 0.00 1.10 0.12 -0.09 -0.34 0.00 0.00 178.44 179.23 3i4j h ARG 180 N 0.83 0.93 -0.73 1.25 2.43 -1.42 -1.16 114.38 116.51 3i4j h ARG 180 Ca 0.12 -0.23 0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3i4j h ARG 180 Cb 0.71 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 3i4j h ARG 180 CO 0.05 0.87 0.48 0.00 -1.51 0.00 0.00 179.97 179.87 3i4j h ALA 181 N 1.02 0.93 -0.39 2.80 0.00 -1.22 -0.32 119.26 122.09 3i4j h ALA 181 Ca 0.18 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3i4j h ALA 181 Cb 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3i4j h ALA 181 CO 0.01 0.33 -0.01 1.25 0.00 0.00 0.00 179.25 180.82 3i4j h LEU 182 N 0.98 0.68 -0.80 0.00 5.85 -1.03 -2.15 115.31 118.85 3i4j h LEU 182 Ca 0.27 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3i4j h LEU 182 Cb -0.10 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 3i4j h LEU 182 CO -0.06 0.84 0.51 -0.07 -0.34 0.00 0.00 178.44 179.31 3i4j h LEU 183 N 0.51 0.85 -0.74 2.25 3.38 -0.81 0.71 115.31 121.47 3i4j h LEU 183 Ca 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3i4j h LEU 183 Cb 0.49 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3i4j h LEU 183 CO 0.02 0.59 0.38 -0.33 0.09 0.00 0.00 178.44 179.19 3i4j h GLU 184 N 1.00 1.04 -0.42 1.13 5.08 -0.87 0.46 114.58 122.01 3i4j h GLU 184 Ca 0.32 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.40 3i4j h GLU 184 Cb 0.00 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3i4j h GLU 184 CO -0.11 0.79 -0.31 -0.09 -1.00 0.00 0.00 179.01 178.29 3i4j h ARG 185 N 1.02 0.95 0.03 2.33 2.43 -0.75 -3.24 114.38 117.15 3i4j h ARG 185 Ca 0.26 -0.45 -0.22 0.00 -0.81 0.00 0.00 59.98 58.76 3i4j h ARG 185 Cb 0.07 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3i4j h ARG 185 CO -0.04 1.12 -1.01 0.93 -1.51 0.00 0.00 179.97 179.46 3i4j h GLU 186 N 0.79 0.08 -0.29 0.20 4.39 -0.62 -3.50 114.58 115.63 3i4j h GLU 186 Ca 0.08 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3i4j h GLU 186 Cb 0.90 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 3i4j h GLU 186 CO 0.08 1.02 0.00 0.41 -1.16 0.00 0.00 179.01 179.36 3i4j n GLY 187 N 1.27 0.01 0.46 -3.84 0.00 0.16 -4.73 105.19 98.52 3i4j n GLY 187 Ca -0.02 -0.82 0.28 0.00 0.00 0.00 0.00 46.02 45.46 3i4j n GLY 187 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i4j h PRO 188 N 0.00 0.19 0.00 1.61 0.11 -1.78 0.47 132.00 132.60 3i4j h PRO 188 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3i4j h PRO 188 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3i4j h PRO 188 CO 0.00 0.12 0.00 -0.85 -0.21 0.00 0.00 178.00 177.06 3i4j n GLU 189 N -4.41 0.31 0.00 1.05 0.00 -1.26 -2.28 120.64 114.05 3i4j n GLU 189 Ca 0.25 0.09 0.08 0.00 0.00 0.00 0.00 57.16 57.57 3i4j n GLU 189 Cb 1.03 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 31.03 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 -1.26 0.00 -4.04 3.84 -2.24 0.16 -3.36 114.28 107.38 3i4j n THR 190 Ca 0.10 -0.49 -0.35 0.00 -2.27 0.00 0.00 64.05 61.04 3i4j n THR 190 Cb 0.15 1.31 -0.09 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 -1.32 4.84 -0.18 2.28 1.01 -0.96 -1.48 120.40 124.58 3i4j s VAL 191 Ca 0.18 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.17 3i4j s VAL 191 Cb 0.13 -3.15 -0.22 0.00 0.00 0.00 0.00 36.38 33.14 3i4j s VAL 191 CO 0.21 0.51 0.12 0.00 0.00 0.00 0.00 175.10 175.93 3i4j n ALA 192 N 3.10 1.30 -3.81 5.51 0.00 0.13 -4.61 120.51 122.12 3i4j n ALA 192 Ca -0.17 -0.96 -0.05 0.00 0.00 0.00 0.00 53.44 52.25 3i4j n ALA 192 Cb 0.53 -0.38 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 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 -1.38 -0.08 0.00 0.00 -0.89 -1.38 121.76 115.49 3i4j s ALA 193 Ca -0.23 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.55 3i4j s ALA 193 Cb 0.08 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.95 3i4j s ALA 193 CO 0.72 -1.04 -0.06 0.12 0.00 0.00 0.00 175.76 175.51 3i4j s PHE 194 N -3.24 1.12 -0.05 0.00 5.36 -0.22 -0.48 117.98 120.48 3i4j s PHE 194 Ca 0.13 -0.45 0.06 0.00 -0.96 0.00 0.00 56.93 55.71 3i4j s PHE 194 Cb -0.04 -0.98 -0.01 0.00 -0.34 0.00 0.00 43.02 41.66 3i4j s PHE 194 CO 0.05 -0.36 -0.23 1.41 -1.46 0.00 0.00 175.22 174.63 3i4j s MET 195 N 1.42 2.30 -0.00 10.12 -2.45 0.24 -0.77 119.30 130.15 3i4j s MET 195 Ca -0.02 -0.83 -0.26 0.00 -1.25 0.00 0.00 55.69 53.33 3i4j s MET 195 Cb -0.13 -1.99 0.06 0.00 1.25 0.00 0.00 34.83 34.01 3i4j s MET 195 CO -0.04 0.37 0.58 0.00 1.05 0.00 0.00 175.02 176.98 3i4j s ALA 196 N -0.17 -1.51 -0.11 4.11 0.00 -0.88 -4.06 121.76 119.15 3i4j s ALA 196 Ca -0.02 0.93 -0.26 0.00 0.00 0.00 0.00 51.96 52.61 3i4j s ALA 196 Cb -0.13 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 3i4j s ALA 196 CO 0.03 -0.43 0.83 -1.21 0.00 0.00 0.00 175.76 174.99 3i4j s GLU 197 N -1.76 4.39 0.18 0.00 2.02 -1.26 -0.77 118.70 121.50 3i4j s GLU 197 Ca -0.09 1.08 -0.13 0.00 0.02 0.00 0.00 54.97 55.85 3i4j s GLU 197 Cb -0.01 -3.52 0.17 0.00 0.10 0.00 0.00 34.13 30.88 3i4j s GLU 197 CO 0.04 -0.17 1.74 -1.35 0.02 0.00 0.00 175.26 175.54 3i4j h PRO 198 N 7.06 0.31 -5.24 0.39 0.11 -1.95 -3.37 132.00 129.30 3i4j h PRO 198 Ca -0.35 -0.02 -0.68 0.00 0.11 0.00 0.00 66.00 65.07 3i4j h PRO 198 Cb 1.17 -0.07 -0.34 0.00 0.11 0.00 0.00 31.00 31.87 3i4j h PRO 198 CO 0.80 0.20 -0.87 0.08 -0.21 0.00 0.00 178.00 178.00 3i4j s VAL 199 N -6.13 2.08 0.43 3.15 1.01 -1.26 -4.47 120.40 115.21 3i4j s VAL 199 Ca -0.13 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 60.62 3i4j s VAL 199 Cb 0.15 -1.82 -0.08 0.00 0.00 0.00 0.00 36.38 34.63 3i4j s VAL 199 CO 0.73 0.55 1.21 -0.69 0.00 0.00 0.00 175.10 176.90 3i4j s VAL 200 N 0.67 2.94 0.00 2.92 1.01 0.13 -4.76 120.40 123.30 3i4j s VAL 200 Ca -0.11 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.63 3i4j s VAL 200 Cb -0.16 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.80 3i4j s VAL 200 CO 0.01 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.77 3i4j n GLY 201 N 0.58 0.82 0.40 4.51 0.00 -1.26 -1.28 105.19 108.96 3i4j n GLY 201 Ca 0.06 -0.35 0.23 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 -1.16 2.19 -0.38 4.61 0.00 -1.97 -2.15 119.26 120.40 3i4j h ALA 202 Ca 0.00 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.08 3i4j h ALA 202 Cb 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 3i4j h ALA 202 CO 0.00 -0.65 -0.22 0.77 0.00 0.00 0.00 179.25 179.16 3i4j h SER 203 N 0.39 -0.73 -2.06 0.00 0.02 -1.91 -3.34 113.55 105.92 3i4j h SER 203 Ca 0.64 0.16 -0.45 0.00 -0.84 0.00 0.00 61.79 61.29 3i4j h SER 203 Cb 1.58 0.38 -0.33 0.00 0.14 0.00 0.00 62.40 64.18 3i4j h SER 203 CO -0.36 -0.25 -0.79 -0.62 -1.14 0.00 0.00 176.83 173.67 3i4j s ASP 204 N -5.11 1.16 -0.28 3.07 -1.08 -0.97 -4.97 116.67 108.50 3i4j s ASP 204 Ca -0.14 -2.23 -0.11 0.00 -0.52 0.00 0.00 52.55 49.55 3i4j s ASP 204 Cb 0.14 0.25 -0.07 0.00 -1.46 0.00 0.00 42.92 41.78 3i4j s ASP 204 CO 0.69 -0.21 0.80 0.00 0.52 0.00 0.00 175.17 176.98 3i4j n ALA 205 N 3.53 0.09 -1.93 3.66 0.00 -0.85 -1.26 120.51 123.75 3i4j n ALA 205 Ca 0.19 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.37 3i4j n ALA 205 Cb 0.46 -0.69 -0.05 0.00 0.00 0.00 0.00 19.45 19.17 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 3.05 -0.44 -1.94 0.00 0.00 -0.41 -4.19 120.51 116.57 3i4j n ALA 206 Ca 0.20 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 3i4j n ALA 206 Cb 0.00 -2.05 -0.03 0.00 0.00 0.00 0.00 19.45 17.37 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 -5.22 4.37 -0.03 0.00 2.96 -0.39 -4.58 118.68 115.78 3i4j s LEU 207 Ca 0.00 2.57 0.03 0.00 -0.22 0.00 0.00 54.13 56.50 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 -0.11 0.00 -1.32 0.00 0.00 176.35 174.09 3i4j s ALA 208 N 1.55 1.06 0.89 5.97 0.00 -1.26 -0.70 121.76 129.27 3i4j s ALA 208 Ca 0.71 -0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.13 3i4j s ALA 208 Cb -0.42 -0.39 0.13 0.00 0.00 0.00 0.00 23.12 22.43 3i4j s ALA 208 CO 0.31 0.17 1.09 -2.14 0.00 0.00 0.00 175.76 175.20 3i4j s PRO 209 N 0.21 1.30 0.75 0.00 0.02 -1.26 -4.41 135.00 131.60 3i4j s PRO 209 Ca -0.04 0.95 -0.11 0.00 0.02 0.00 0.00 61.00 61.81 3i4j s PRO 209 Cb -0.10 -1.80 0.04 0.00 0.02 0.00 0.00 34.50 32.65 3i4j s PRO 209 CO 0.01 -2.25 1.09 0.00 -0.33 0.00 0.00 177.00 175.52 3i4j s ALA 210 N -2.88 2.58 0.63 -1.55 0.00 -1.26 -4.92 121.76 114.36 3i4j s ALA 210 Ca 0.64 -0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.19 3i4j s ALA 210 Cb -0.19 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 3i4j s ALA 210 CO 0.57 -1.41 1.10 -0.35 0.00 0.00 0.00 175.76 175.67 3i4j n PRO 211 N -3.21 0.97 0.00 0.00 -0.04 -1.26 -2.37 135.00 129.08 3i4j n PRO 211 Ca 0.07 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 3i4j n PRO 211 Cb 0.56 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 3i4j n PRO 211 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i4j n GLY 212 N 1.14 2.65 0.43 0.55 0.00 -1.26 -2.94 105.19 105.76 3i4j n GLY 212 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.99 0.00 1.61 3.20 -1.56 -2.63 116.97 116.60 3i4j h TYR 213 Ca 0.00 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 3i4j h TYR 213 Cb 0.00 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 3i4j h TYR 213 CO 0.00 -0.60 -0.15 1.88 -1.64 0.00 0.00 178.16 177.65 3i4j h TYR 214 N -1.14 0.00 -0.42 -3.82 0.05 -1.89 -1.02 116.97 108.74 3i4j h TYR 214 Ca -0.11 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.62 3i4j h TYR 214 Cb 0.83 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.55 3i4j h TYR 214 CO -0.01 0.15 0.08 0.93 -1.05 0.00 0.00 178.16 178.26 3i4j h GLU 215 N 0.00 0.69 -0.41 4.88 3.07 -1.82 0.61 114.58 121.60 3i4j h GLU 215 Ca -0.00 -0.18 -0.14 0.00 -0.50 0.00 0.00 59.36 58.54 3i4j h GLU 215 Cb 0.71 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 3i4j h GLU 215 CO 0.02 0.72 -0.29 -0.09 -1.40 0.00 0.00 179.01 177.97 3i4j h ARG 216 N 0.55 0.93 -0.36 2.33 9.65 -1.09 -2.46 114.38 123.92 3i4j h ARG 216 Ca 0.13 -0.44 0.01 0.00 -1.10 0.00 0.00 59.98 58.58 3i4j h ARG 216 Cb 0.36 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 3i4j h ARG 216 CO 0.01 1.10 0.22 0.28 2.80 0.00 0.00 179.97 184.38 3i4j h VAL 217 N 0.75 1.06 -0.48 0.20 2.07 -0.99 0.51 116.25 119.37 3i4j h VAL 217 Ca 0.08 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.50 3i4j h VAL 217 Cb 0.88 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 3i4j h VAL 217 CO 0.08 0.08 0.20 -0.09 0.02 0.00 0.00 177.57 177.86 3i4j h ARG 218 N 0.45 0.39 -0.46 1.57 9.65 -0.78 -0.39 114.38 124.80 3i4j h ARG 218 Ca 0.14 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.94 3i4j h ARG 218 Cb -0.01 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.46 3i4j h ARG 218 CO -0.06 0.26 0.06 -0.44 2.80 0.00 0.00 179.97 182.59 3i4j h ASP 219 N 0.40 0.75 -0.74 -3.80 3.32 -1.08 -1.50 116.42 113.77 3i4j h ASP 219 Ca 0.22 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3i4j h ASP 219 Cb 0.19 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3i4j h ASP 219 CO -0.20 0.83 0.35 0.40 -1.72 0.00 0.00 179.24 178.90 3i4j h ILE 220 N 0.64 1.24 -0.66 0.35 1.08 -0.51 -1.21 117.51 118.44 3i4j h ILE 220 Ca 0.14 -0.69 -0.05 0.00 -0.39 0.00 0.00 64.86 63.87 3i4j h ILE 220 Cb 0.41 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.46 3i4j h ILE 220 CO 0.01 0.29 0.21 0.00 -0.69 0.00 0.00 178.15 177.97 3i4j h ASP 222 N 0.95 0.13 -0.91 0.00 3.32 -0.86 0.12 116.42 119.17 3i4j h ASP 222 Ca 0.21 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.23 3i4j h ASP 222 Cb 0.29 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 3i4j h ASP 222 CO -0.01 0.14 0.60 -0.33 -1.72 0.00 0.00 179.24 177.92 3i4j h GLU 223 N 0.11 1.17 0.00 3.56 5.08 -1.05 -2.39 114.58 121.06 3i4j h GLU 223 Ca 0.04 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3i4j h GLU 223 Cb 0.03 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.02 3i4j h GLU 223 CO -0.01 0.77 -0.10 0.00 -1.00 0.00 0.00 179.01 178.68 3i4j h ALA 224 N 1.45 0.94 -0.40 3.43 0.00 -0.94 -3.47 119.26 120.26 3i4j h ALA 224 Ca 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 3i4j h ALA 224 Cb -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3i4j h ALA 224 CO -0.09 0.00 -0.10 0.41 0.00 0.00 0.00 179.25 179.47 3i4j n GLY 225 N 1.26 0.51 3.95 0.00 0.00 0.37 -4.90 105.19 106.38 3i4j n GLY 225 Ca 0.05 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.20 5.29 -0.08 -0.61 -4.36 -0.82 -5.02 121.20 113.40 3i4j s ILE 226 Ca 0.00 -0.77 -0.29 0.00 -0.26 0.00 0.00 60.65 59.33 3i4j s ILE 226 Cb 0.00 -3.76 -0.02 0.00 1.25 0.00 0.00 42.46 39.93 3i4j s ILE 226 CO 0.00 -0.15 0.98 -0.63 0.24 0.00 0.00 174.94 175.38 3i4j s ILE 227 N -1.80 4.82 -0.39 8.37 -1.09 -0.48 -4.62 121.20 126.02 3i4j s ILE 227 Ca 0.34 2.00 -0.17 0.00 -2.23 0.00 0.00 60.65 60.60 3i4j s ILE 227 Cb -0.11 -4.30 0.01 0.00 -1.58 0.00 0.00 42.46 36.49 3i4j s ILE 227 CO 0.29 0.05 0.42 0.12 -1.23 0.00 0.00 174.94 174.59 3i4j s PHE 228 N 1.73 3.18 -0.22 3.97 5.36 -1.26 -1.05 117.98 129.69 3i4j s PHE 228 Ca 0.48 -0.21 -0.07 0.00 -0.96 0.00 0.00 56.93 56.17 3i4j s PHE 228 Cb -0.19 -2.82 -0.03 0.00 -0.34 0.00 0.00 43.02 39.64 3i4j s PHE 228 CO 0.20 -0.60 0.06 0.42 -1.46 0.00 0.00 175.22 173.85 3i4j s ILE 229 N 2.12 4.47 -0.32 3.12 1.01 0.05 -0.44 121.20 131.21 3i4j s ILE 229 Ca 0.13 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.53 3i4j s ILE 229 Cb -0.17 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 3i4j s ILE 229 CO 0.13 0.39 0.20 0.00 0.00 0.00 0.00 174.94 175.66 3i4j s ALA 230 N 1.12 3.43 -0.74 9.38 0.00 0.08 -2.06 121.76 132.97 3i4j s ALA 230 Ca 0.04 -1.33 -0.23 0.00 0.00 0.00 0.00 51.96 50.44 3i4j s ALA 230 Cb -0.14 -2.54 0.07 0.00 0.00 0.00 0.00 23.12 20.51 3i4j s ALA 230 CO 0.03 -0.88 1.09 0.34 0.00 0.00 0.00 175.76 176.35 3i4j s ASP 231 N 1.69 6.25 -0.25 0.00 -1.08 0.05 -0.83 116.67 122.50 3i4j s ASP 231 Ca 0.06 -1.02 0.13 0.00 -0.52 0.00 0.00 52.55 51.19 3i4j s ASP 231 Cb -0.17 -2.46 0.58 0.00 -1.46 0.00 0.00 42.92 39.41 3i4j s ASP 231 CO 0.09 -1.50 1.54 -0.62 0.52 0.00 0.00 175.17 175.21 3i4j n GLU 232 N 8.06 2.81 -0.20 4.34 -0.58 -0.02 -4.09 120.64 130.96 3i4j n GLU 232 Ca 0.04 -3.01 0.11 0.00 -0.42 0.00 0.00 57.16 53.89 3i4j n GLU 232 Cb 0.47 -1.94 0.42 0.00 -0.57 0.00 0.00 31.44 29.82 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 1.78 0.88 0.00 2.62 2.07 -1.78 -0.83 116.25 120.99 3i4j h VAL 233 Ca 0.14 -0.21 -0.24 0.00 0.82 0.00 0.00 66.70 67.21 3i4j h VAL 233 Cb 1.76 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 3i4j h VAL 233 CO 0.42 0.11 -1.91 0.80 0.02 0.00 0.00 177.57 177.01 3i4j n MET 234 N -4.51 1.78 0.02 1.57 0.00 -1.26 -4.07 117.12 110.65 3i4j n MET 234 Ca 0.14 -0.00 0.12 0.00 -0.00 0.00 0.00 57.70 57.96 3i4j n MET 234 Cb 0.41 -1.34 0.25 0.00 0.00 0.00 0.00 33.22 32.55 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 -2.51 0.52 -3.85 6.12 3.41 -1.19 -4.87 113.62 111.25 3i4j n SER 235 Ca -0.22 -0.07 -0.22 0.00 -0.26 0.00 0.00 58.87 58.10 3i4j n SER 235 Cb 0.93 0.17 0.13 0.00 -0.26 0.00 0.00 64.21 65.18 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 1.45 -0.36 3.61 5.00 0.00 -0.32 -3.48 105.19 111.09 3i4j n GLY 236 Ca 0.05 -1.86 -0.24 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.93 -7.66 0.00 1.61 2.81 0.93 -2.88 117.12 109.00 3i4j n MET 237 Ca 0.14 0.81 0.00 0.00 -1.81 0.00 0.00 57.70 56.84 3i4j n MET 237 Cb 0.49 -5.85 0.00 0.00 -0.71 0.00 0.00 33.22 27.15 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 -1.91 2.22 0.30 3.03 0.00 -0.84 -4.91 105.19 103.08 3i4j n GLY 238 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 2.56 0.27 -0.72 1.61 9.65 -1.69 -1.21 114.38 124.84 3i4j h ARG 239 Ca 0.00 -0.02 -0.17 0.00 -1.10 0.00 0.00 59.98 58.69 3i4j h ARG 239 Cb 0.00 -0.06 -0.10 0.00 -1.39 0.00 0.00 29.97 28.42 3i4j h ARG 239 CO 0.00 0.18 0.22 0.00 2.80 0.00 0.00 179.97 183.17 3i4j n GLY 241 N 0.03 0.50 3.42 0.00 0.00 -0.46 -3.71 105.19 104.99 3i4j n GLY 241 Ca 0.38 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 3i4j n GLY 241 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i4j s SER 242 N -2.54 -0.50 0.21 1.61 1.04 -1.26 -4.78 113.70 107.48 3i4j s SER 242 Ca 0.00 0.32 -0.13 0.00 0.48 0.00 0.00 55.95 56.62 3i4j s SER 242 Cb 0.00 0.51 0.26 0.00 0.10 0.00 0.00 66.02 66.88 3i4j s SER 242 CO 0.00 -0.69 1.64 -0.65 0.98 0.00 0.00 173.24 174.51 3i4j h PRO 243 N 2.84 0.03 -5.25 4.02 0.11 -1.91 -2.22 132.00 129.62 3i4j h PRO 243 Ca -0.30 -0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.27 3i4j h PRO 243 Cb 1.20 -0.01 -0.31 0.00 0.11 0.00 0.00 31.00 31.99 3i4j h PRO 243 CO 0.40 0.02 -0.83 -0.51 -0.21 0.00 0.00 178.00 176.87 3i4j s LEU 244 N -10.81 1.92 0.43 2.35 1.43 -1.26 -0.05 118.68 112.68 3i4j s LEU 244 Ca -0.14 -0.32 0.10 0.00 -1.03 0.00 0.00 54.13 52.74 3i4j s LEU 244 Cb 0.19 -0.89 0.94 0.00 0.03 0.00 0.00 46.19 46.46 3i4j s LEU 244 CO 0.74 0.15 2.05 0.00 0.23 0.00 0.00 176.35 179.51 3i4j h ALA 245 N 6.18 1.73 -0.57 4.21 0.00 -1.74 -2.52 119.26 126.54 3i4j h ALA 245 Ca -0.33 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.59 3i4j h ALA 245 Cb 1.17 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3i4j h ALA 245 CO 0.48 0.23 0.38 1.25 0.00 0.00 0.00 179.25 181.59 3i4j h LEU 246 N 0.35 0.42 -2.75 0.00 5.85 -1.92 -1.81 115.31 115.45 3i4j h LEU 246 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3i4j h LEU 246 Cb 0.06 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3i4j h LEU 246 CO -0.01 0.26 0.00 0.28 -0.34 0.00 0.00 178.44 178.63 3i4j h SER 247 N 0.47 0.00 0.41 1.25 0.02 -1.54 -1.93 113.55 112.23 3i4j h SER 247 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3i4j h SER 247 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3i4j h SER 247 CO -0.07 0.00 0.00 0.03 -1.14 0.00 0.00 176.83 175.65 3i4j h ARG 248 N 0.00 0.00 -4.01 3.45 3.08 -1.49 0.87 114.38 116.28 3i4j h ARG 248 Ca 0.00 0.00 -0.78 0.00 0.07 0.00 0.00 59.98 59.27 3i4j h ARG 248 Cb 0.07 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 29.88 3i4j h ARG 248 CO 0.00 0.00 0.78 -1.58 -1.07 0.00 0.00 179.97 178.10 3i4j s TRP 249 N -3.92 3.98 -1.32 3.04 0.51 -0.72 -4.64 118.94 115.87 3i4j s TRP 249 Ca -0.02 -2.47 -0.01 0.00 -2.12 0.00 0.00 56.10 51.47 3i4j s TRP 249 Cb 0.11 -4.02 0.01 0.00 -0.81 0.00 0.00 33.47 28.76 3i4j s TRP 249 CO 0.45 -1.12 0.12 0.43 -0.51 0.00 0.00 176.95 176.32 3i4j n SER 250 N 3.82 -4.62 -0.92 2.95 7.64 -1.24 -1.72 113.62 119.52 3i4j n SER 250 Ca 0.28 0.03 -0.12 0.00 1.01 0.00 0.00 58.87 60.07 3i4j n SER 250 Cb 0.41 -3.87 -0.05 0.00 -1.01 0.00 0.00 64.21 59.69 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 -0.97 1.30 3.70 0.23 0.00 0.30 -4.96 105.19 104.78 3i4j n GLY 251 Ca -0.15 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.63 2.51 -4.60 1.61 0.31 -0.70 -4.85 118.33 109.98 3i4j n VAL 252 Ca -0.12 -0.50 -0.25 0.00 -0.01 0.00 0.00 64.34 63.46 3i4j n VAL 252 Cb 0.40 -1.55 -0.14 0.00 -0.91 0.00 0.00 33.84 31.65 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 -1.19 1.65 0.75 2.52 -4.23 -1.26 -3.80 115.64 110.07 3i4j s THR 253 Ca 0.61 -1.22 -0.02 0.00 -1.18 0.00 0.00 61.69 59.88 3i4j s THR 253 Cb -0.52 -1.44 0.14 0.00 1.34 0.00 0.00 72.50 72.02 3i4j s THR 253 CO 0.58 0.17 1.03 -2.16 -0.54 0.00 0.00 174.62 173.71 3i4j s PRO 254 N -1.24 1.54 0.04 3.99 0.04 -1.26 -5.01 135.00 133.09 3i4j s PRO 254 Ca 0.07 -1.13 0.14 0.00 0.04 0.00 0.00 61.00 60.12 3i4j s PRO 254 Cb -0.09 -2.30 -0.16 0.00 0.04 0.00 0.00 34.50 31.99 3i4j s PRO 254 CO 0.02 -1.56 0.83 -0.44 0.04 0.00 0.00 177.00 175.89 3i4j h ASP 255 N -0.63 0.00 -3.39 6.66 3.32 -1.12 -3.46 116.42 117.80 3i4j h ASP 255 Ca -0.36 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.44 3i4j h ASP 255 Cb 1.26 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.49 3i4j h ASP 255 CO 0.39 0.76 -0.61 -0.63 -1.72 0.00 0.00 179.24 177.43 3i4j s ILE 256 N -2.79 -0.08 -0.17 0.35 1.01 -0.97 -1.13 121.20 117.42 3i4j s ILE 256 Ca -0.03 0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 3i4j s ILE 256 Cb 0.08 -0.24 -0.01 0.00 0.01 0.00 0.00 42.46 42.31 3i4j s ILE 256 CO 0.81 0.08 -0.10 0.00 0.00 0.00 0.00 174.94 175.73 3i4j s ALA 257 N 1.32 2.66 -0.20 9.38 0.00 -0.01 -0.74 121.76 134.17 3i4j s ALA 257 Ca -0.08 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 3i4j s ALA 257 Cb -0.12 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 3i4j s ALA 257 CO -0.06 -0.10 0.19 0.08 0.00 0.00 0.00 175.76 175.87 3i4j s VAL 258 N 0.93 5.36 0.19 0.00 1.01 -0.01 -0.47 120.40 127.42 3i4j s VAL 258 Ca -0.02 0.31 0.11 0.00 0.00 0.00 0.00 61.98 62.37 3i4j s VAL 258 Cb -0.15 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3i4j s VAL 258 CO -0.00 0.40 -0.22 -0.76 0.00 0.00 0.00 175.10 174.52 3i4j s LEU 259 N 0.58 2.45 0.00 3.92 1.43 0.17 -0.84 118.68 126.40 3i4j s LEU 259 Ca 0.11 -0.88 -0.03 0.00 -1.03 0.00 0.00 54.13 52.29 3i4j s LEU 259 Cb -0.12 -1.05 0.01 0.00 0.03 0.00 0.00 46.19 45.06 3i4j s LEU 259 CO 0.01 0.06 0.13 0.61 0.23 0.00 0.00 176.35 177.39 3i4j n GLY 260 N 0.18 0.51 5.65 -3.19 0.00 -1.26 -1.11 105.19 105.97 3i4j n GLY 260 Ca -0.12 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.09 0.00 0.00 1.61 5.02 -1.26 -2.30 118.16 121.14 3i4j n LYS 261 Ca 0.01 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.38 3i4j n LYS 261 Cb 0.06 0.00 0.43 0.00 -0.02 0.00 0.00 35.03 35.49 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 -0.84 0.19 0.72 0.00 -1.26 -3.10 105.19 100.90 3i4j n GLY 262 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.43 -2.86 0.99 5.85 -1.72 -2.43 115.31 114.71 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 0.16 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3i4j h LEU 263 CO 0.00 -0.20 0.00 0.00 -0.34 0.00 0.00 178.44 177.90 3i4j n ALA 264 N -2.49 2.31 -4.36 1.25 0.00 -1.25 -4.68 120.51 111.30 3i4j n ALA 264 Ca -0.04 -1.26 -0.36 0.00 0.00 0.00 0.00 53.44 51.78 3i4j n ALA 264 Cb 0.20 -0.64 -0.08 0.00 0.00 0.00 0.00 19.45 18.93 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 0.90 -1.62 -0.37 0.00 0.00 -0.92 -1.00 120.51 117.50 3i4j n ALA 265 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3i4j n ALA 265 Cb 0.53 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 -1.82 1.37 0.14 0.00 0.00 -1.24 -4.29 105.19 99.35 3i4j n GLY 266 Ca -0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.14 1.61 0.05 -1.44 -3.48 116.97 111.57 3i4j h TYR 267 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 3i4j h TYR 267 Cb 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 37.56 3i4j h TYR 267 CO 0.00 0.16 0.27 0.00 -1.05 0.00 0.00 178.16 177.54 3i4j s ALA 268 N -3.21 -1.77 -0.75 3.88 0.00 -1.26 -5.04 121.76 113.62 3i4j s ALA 268 Ca 0.01 1.18 -0.26 0.00 0.00 0.00 0.00 51.96 52.89 3i4j s ALA 268 Cb 0.08 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.30 3i4j s ALA 268 CO 0.76 -0.46 1.48 -2.14 0.00 0.00 0.00 175.76 175.41 3i4j s PRO 269 N -1.80 3.06 -0.00 0.00 0.02 -1.26 -4.61 135.00 130.40 3i4j s PRO 269 Ca -0.06 -0.14 0.01 0.00 0.02 0.00 0.00 61.00 60.83 3i4j s PRO 269 Cb -0.00 -4.42 -0.00 0.00 0.02 0.00 0.00 34.50 30.09 3i4j s PRO 269 CO 0.03 -2.37 -0.03 -1.17 -0.33 0.00 0.00 177.00 173.13 3i4j s LEU 270 N 6.72 2.02 0.00 -5.54 2.96 -1.17 -4.51 118.68 119.16 3i4j s LEU 270 Ca 0.46 -0.08 -0.15 0.00 -0.22 0.00 0.00 54.13 54.15 3i4j s LEU 270 Cb -0.08 -0.15 0.06 0.00 0.50 0.00 0.00 46.19 46.52 3i4j s LEU 270 CO 0.12 0.02 0.79 0.00 -1.32 0.00 0.00 176.35 175.96 3i4j n ALA 271 N 2.93 -1.77 0.00 5.97 0.00 -0.54 -4.02 120.51 123.08 3i4j n ALA 271 Ca -0.13 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.06 3i4j n ALA 271 Cb 0.59 1.00 0.00 0.00 0.00 0.00 0.00 19.45 21.04 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 -0.53 -1.64 3.09 0.00 0.00 -0.27 -0.79 105.19 105.05 3i4j n GLY 272 Ca -0.09 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 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 2.15 -0.17 0.99 0.05 -0.46 0.46 118.68 121.71 3i4j s LEU 273 Ca 0.00 -0.74 0.01 0.00 0.05 0.00 0.00 54.13 53.44 3i4j s LEU 273 Cb 0.00 0.37 0.01 0.00 -2.05 0.00 0.00 46.19 44.52 3i4j s LEU 273 CO 0.00 -0.53 -0.17 -0.76 -0.55 0.00 0.00 176.35 174.34 3i4j s LEU 274 N -2.42 2.34 -0.03 1.48 1.43 0.38 -0.84 118.68 121.02 3i4j s LEU 274 Ca -0.01 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.58 3i4j s LEU 274 Cb 0.02 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 3i4j s LEU 274 CO -0.07 0.05 -0.09 0.00 0.23 0.00 0.00 176.35 176.47 3i4j s ALA 275 N 1.02 2.89 0.42 4.21 0.00 -0.05 -0.83 121.76 129.41 3i4j s ALA 275 Ca -0.02 -0.98 -0.26 0.00 0.00 0.00 0.00 51.96 50.70 3i4j s ALA 275 Cb -0.15 -1.10 -0.10 0.00 0.00 0.00 0.00 23.12 21.78 3i4j s ALA 275 CO -0.04 0.58 1.44 0.00 0.00 0.00 0.00 175.76 177.74 3i4j n ALA 276 N 1.96 2.12 -0.28 0.00 0.00 -0.28 -0.65 120.51 123.38 3i4j n ALA 276 Ca -0.17 0.29 0.23 0.00 0.00 0.00 0.00 53.44 53.79 3i4j n ALA 276 Cb 0.53 -2.39 0.55 0.00 0.00 0.00 0.00 19.45 18.13 3i4j n ALA 276 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3i4j h PRO 277 N 2.56 0.32 -0.64 0.00 0.13 -1.92 0.88 132.00 133.32 3i4j h PRO 277 Ca -0.50 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.63 3i4j h PRO 277 Cb 1.26 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 3i4j h PRO 277 CO 0.62 0.21 0.40 0.37 -0.23 0.00 0.00 178.00 179.37 3i4j h GLN 278 N 0.33 0.76 -0.16 0.86 5.75 -1.95 0.02 115.11 120.73 3i4j h GLN 278 Ca 0.52 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.87 3i4j h GLN 278 Cb 1.45 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.83 3i4j h GLN 278 CO -0.19 0.50 -0.31 0.28 -2.65 0.00 0.00 178.83 176.46 3i4j h VAL 279 N 0.79 1.36 0.03 2.39 2.07 -1.21 -2.76 116.25 118.91 3i4j h VAL 279 Ca 0.25 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.21 3i4j h VAL 279 Cb 0.00 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3i4j h VAL 279 CO -0.10 0.47 -0.05 0.22 0.02 0.00 0.00 177.57 178.14 3i4j h TYR 280 N 0.11 -0.12 -0.64 1.57 3.20 -1.14 -2.44 116.97 117.52 3i4j h TYR 280 Ca 0.00 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.91 3i4j h TYR 280 Cb 0.91 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.19 3i4j h TYR 280 CO 0.10 -0.08 0.42 0.93 -1.64 0.00 0.00 178.16 177.89 3i4j h GLU 281 N -0.10 0.73 -0.42 1.82 5.08 -1.06 -0.64 114.58 119.99 3i4j h GLU 281 Ca 0.01 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3i4j h GLU 281 Cb 0.11 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3i4j h GLU 281 CO -0.03 0.48 0.02 1.15 -1.00 0.00 0.00 179.01 179.63 3i4j h THR 282 N 0.75 1.26 -0.00 1.13 2.02 -1.18 -1.98 112.91 114.91 3i4j h THR 282 Ca 0.26 -0.99 -0.15 0.00 0.77 0.00 0.00 66.41 66.30 3i4j h THR 282 Cb 0.09 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 3i4j h THR 282 CO -0.07 0.34 -0.70 1.62 0.37 0.00 0.00 175.52 177.08 3i4j h VAL 283 N 0.58 1.50 -0.04 3.16 3.04 -0.98 -3.12 116.25 120.39 3i4j h VAL 283 Ca 0.12 -2.38 -0.13 0.00 -1.01 0.00 0.00 66.70 63.30 3i4j h VAL 283 Cb 0.46 2.28 -0.01 0.00 -2.01 0.00 0.00 31.29 32.00 3i4j h VAL 283 CO 0.02 0.68 -0.59 0.24 -1.01 0.00 0.00 177.57 176.91 3i4j h MET 284 N 0.01 0.12 -0.04 4.17 2.07 -1.01 -2.86 114.93 117.39 3i4j h MET 284 Ca -0.01 -0.08 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 3i4j h MET 284 Cb 1.24 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.98 3i4j h MET 284 CO 0.09 0.68 0.00 0.41 1.07 0.00 0.00 176.91 179.16 3i4j n GLY 285 N 0.20 -0.72 1.07 8.32 0.00 -0.75 -5.09 105.19 108.22 3i4j n GLY 285 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3i4j n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4j n GLY 286 N 0.79 -0.04 1.36 -0.02 0.00 -1.08 -5.08 105.19 101.12 3i4j n GLY 286 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.42 -0.62 -3.97 1.61 7.35 -1.26 -5.10 117.46 112.05 3i4j n PHE 290 Ca 0.00 0.11 -0.08 0.00 -0.76 0.00 0.00 57.45 56.72 3i4j n PHE 290 Cb 0.08 0.19 -0.08 0.00 0.35 0.00 0.00 39.48 40.02 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 -1.69 0.75 -0.07 -4.13 -1.94 -1.26 -5.06 119.30 105.91 3i4j s MET 291 Ca 0.00 -1.09 -0.06 0.00 -1.71 0.00 0.00 55.69 52.83 3i4j s MET 291 Cb 0.00 0.28 -0.04 0.00 2.01 0.00 0.00 34.83 37.08 3i4j s MET 291 CO 0.00 -0.20 -0.14 0.72 -0.01 0.00 0.00 175.02 175.39 3i4j n HIS 292 N 0.01 0.00 0.00 -0.03 8.25 -1.26 -5.05 115.22 117.14 3i4j n HIS 292 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 3i4j n HIS 292 Cb 0.62 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 2.45 -3.03 3.50 -1.41 0.00 -1.26 -4.91 105.19 100.54 3i4j n GLY 293 Ca -0.16 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.54 -0.19 1.61 3.72 -1.26 -4.89 117.46 113.91 3i4j n PHE 294 Ca 0.00 1.04 0.00 0.00 -0.05 0.00 0.00 57.45 58.44 3i4j n PHE 294 Cb 0.00 -2.77 0.10 0.00 -0.94 0.00 0.00 39.48 35.87 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 0.85 0.64 -0.53 4.37 2.02 -2.01 -2.25 112.91 115.99 3i4j h THR 295 Ca -0.46 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3i4j h THR 295 Cb 1.31 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3i4j h THR 295 CO 0.30 0.04 0.00 -1.22 0.37 0.00 0.00 175.52 175.01 3i4j n TYR 296 N -5.14 1.04 -1.95 3.16 4.01 -1.26 -4.71 117.16 112.31 3i4j n TYR 296 Ca 0.08 -0.44 -0.42 0.00 -0.16 0.00 0.00 57.90 56.96 3i4j n TYR 296 Cb 0.31 -0.14 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 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 -1.62 3.68 0.00 -0.72 0.00 -0.85 -1.69 121.76 120.56 3i4j s ALA 297 Ca 0.39 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.54 3i4j s ALA 297 Cb 0.24 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3i4j s ALA 297 CO 0.21 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.29 3i4j n GLY 298 N 3.97 0.63 3.55 0.00 0.00 -1.21 -4.30 105.19 107.82 3i4j n GLY 298 Ca 0.16 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.74 1.58 -0.23 1.61 -0.00 -0.68 -4.78 115.22 109.98 3i4j n HIS 299 Ca 0.00 0.85 0.03 0.00 -0.00 0.00 0.00 57.72 58.61 3i4j n HIS 299 Cb 0.00 -2.31 0.14 0.00 -0.00 0.00 0.00 29.99 27.82 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 7.34 0.19 -0.66 1.57 0.11 -1.85 0.52 132.00 139.21 3i4j h PRO 300 Ca -0.31 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.71 3i4j h PRO 300 Cb 1.38 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.42 3i4j h PRO 300 CO 1.02 0.12 0.11 0.28 -0.21 0.00 0.00 178.00 179.32 3i4j h VAL 301 N 0.19 1.26 -0.43 3.15 2.07 -1.80 0.78 116.25 121.48 3i4j h VAL 301 Ca 0.37 -1.03 -0.14 0.00 0.82 0.00 0.00 66.70 66.72 3i4j h VAL 301 Cb 0.62 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3i4j h VAL 301 CO -0.52 0.39 -0.27 0.28 0.02 0.00 0.00 177.57 177.47 3i4j h SER 302 N 1.01 0.94 -0.72 0.57 0.02 -1.76 -2.08 113.55 111.53 3i4j h SER 302 Ca 0.20 -0.38 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 3i4j h SER 302 Cb 0.44 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 3i4j h SER 302 CO 0.01 1.15 0.20 0.58 -1.14 0.00 0.00 176.83 177.63 3i4j h VAL 303 N 0.78 1.26 -0.82 2.27 2.07 -0.63 -1.56 116.25 119.62 3i4j h VAL 303 Ca 0.09 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.69 3i4j h VAL 303 Cb 0.84 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3i4j h VAL 303 CO 0.07 0.36 0.54 0.00 0.02 0.00 0.00 177.57 178.57 3i4j h ALA 304 N 1.10 1.44 -0.44 1.67 0.00 -0.63 0.28 119.26 122.68 3i4j h ALA 304 Ca 0.23 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3i4j h ALA 304 Cb 0.34 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3i4j h ALA 304 CO -0.00 0.51 0.10 0.00 0.00 0.00 0.00 179.25 179.86 3i4j h ALA 305 N 1.50 0.58 -0.65 0.00 0.00 -0.71 -1.24 119.26 118.73 3i4j h ALA 305 Ca 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.02 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 -0.07 0.26 0.41 0.78 0.00 0.00 0.00 179.25 180.63 3i4j h GLY 306 N 0.57 0.92 1.00 0.00 0.00 -0.37 -0.20 103.07 105.00 3i4j h GLY 306 Ca 0.14 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3i4j h GLY 306 CO 0.00 0.35 0.35 -2.00 0.00 0.00 0.00 176.54 175.25 3i4j h LEU 307 N 0.88 0.84 -0.43 3.11 5.85 -0.71 -0.01 115.31 124.84 3i4j h LEU 307 Ca 0.23 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 3i4j h LEU 307 Cb -0.06 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 3i4j h LEU 307 CO -0.05 0.70 -0.05 -1.28 -0.34 0.00 0.00 178.44 177.43 3i4j h SER 308 N 0.91 0.79 -0.76 1.25 0.87 -0.90 -1.28 113.55 114.43 3i4j h SER 308 Ca 0.23 -0.33 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 3i4j h SER 308 Cb 0.06 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.77 3i4j h SER 308 CO -0.04 0.94 0.46 0.58 -0.53 0.00 0.00 176.83 178.24 3i4j h VAL 309 N 0.62 1.21 -0.80 2.23 2.07 -0.79 -2.26 116.25 118.53 3i4j h VAL 309 Ca 0.12 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 3i4j h VAL 309 Cb 0.56 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3i4j h VAL 309 CO 0.03 0.22 0.40 0.25 0.02 0.00 0.00 177.57 178.49 3i4j h LEU 310 N 1.03 1.04 -0.81 2.57 5.85 -0.70 -0.27 115.31 124.02 3i4j h LEU 310 Ca 0.27 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.94 3i4j h LEU 310 Cb -0.04 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 40.65 3i4j h LEU 310 CO -0.05 0.87 0.48 0.44 -0.34 0.00 0.00 178.44 179.84 3i4j h ASP 311 N 1.13 0.72 -0.24 1.25 3.32 -0.68 -1.32 116.42 120.61 3i4j h ASP 311 Ca 0.28 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.29 3i4j h ASP 311 Cb 0.10 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3i4j h ASP 311 CO -0.04 0.44 -0.13 0.40 -1.72 0.00 0.00 179.24 178.19 3i4j h ILE 312 N 0.85 1.30 -0.81 0.35 2.04 -0.95 0.30 117.51 120.59 3i4j h ILE 312 Ca 0.37 -1.22 0.05 0.00 1.00 0.00 0.00 64.86 65.06 3i4j h ILE 312 Cb 0.25 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 3i4j h ILE 312 CO -0.21 0.38 0.51 0.58 0.00 0.00 0.00 178.15 179.41 3i4j h VAL 313 N 0.22 1.08 -0.02 1.67 2.07 -0.64 -0.20 116.25 120.43 3i4j h VAL 313 Ca 0.05 -0.33 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 3i4j h VAL 313 Cb 0.64 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3i4j h VAL 313 CO 0.04 0.17 -0.45 -0.33 0.02 0.00 0.00 177.57 177.02 3i4j h GLU 314 N 0.96 0.34 -0.66 1.57 5.08 -1.20 -1.25 114.58 119.42 3i4j h GLU 314 Ca 0.34 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3i4j h GLU 314 Cb 0.09 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3i4j h GLU 314 CO -0.14 1.02 0.28 -0.09 -1.00 0.00 0.00 179.01 179.08 3i4j h ARG 315 N -0.21 0.98 -0.08 2.33 1.12 -0.76 -2.56 114.38 115.19 3i4j h ARG 315 Ca -0.05 -0.17 0.00 0.00 -1.11 0.00 0.00 59.98 58.65 3i4j h ARG 315 Cb 1.16 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 30.96 3i4j h ARG 315 CO 0.09 0.81 0.00 0.39 -3.11 0.00 0.00 179.97 178.15 3i4j n GLU 316 N -4.42 1.70 -3.92 0.20 1.02 -0.10 -4.94 120.64 110.17 3i4j n GLU 316 Ca 0.05 -1.03 -0.30 0.00 -0.02 0.00 0.00 57.16 55.85 3i4j n GLU 316 Cb 0.16 -1.44 -0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 0.25 -2.05 0.29 1.62 2.03 -0.90 -4.80 116.55 113.00 3i4j n ASP 317 Ca 0.18 -1.07 0.18 0.00 0.52 0.00 0.00 54.79 54.59 3i4j n ASP 317 Cb 0.35 -2.86 0.87 0.00 -0.72 0.00 0.00 41.12 38.75 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 -1.95 0.00 -0.39 -2.67 3.38 -1.51 -1.26 115.31 110.91 3i4j h LEU 318 Ca -0.65 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.20 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 0.58 0.04 -0.20 0.74 0.09 0.00 0.00 178.44 179.69 3i4j h THR 319 N 0.00 1.28 -0.28 0.22 2.02 -1.83 0.47 112.91 114.80 3i4j h THR 319 Ca -0.00 -1.35 -0.13 0.00 0.77 0.00 0.00 66.41 65.70 3i4j h THR 319 Cb 0.30 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 3i4j h THR 319 CO 0.01 0.45 -0.38 1.23 0.37 0.00 0.00 175.52 177.20 3i4j h GLY 320 N 0.63 0.70 1.26 2.16 0.00 -1.63 -2.82 103.07 103.37 3i4j h GLY 320 Ca 0.08 -0.69 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 3i4j h GLY 320 CO 0.06 0.62 0.07 0.00 0.00 0.00 0.00 176.54 177.29 3i4j h ALA 321 N 1.05 1.07 -0.42 3.60 0.00 -1.04 -2.46 119.26 121.06 3i4j h ALA 321 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3i4j h ALA 321 Cb 0.89 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3i4j h ALA 321 CO 0.08 0.60 0.20 0.00 0.00 0.00 0.00 179.25 180.13 3i4j h ALA 322 N 1.22 1.57 -0.09 0.00 0.00 -0.66 0.11 119.26 121.40 3i4j h ALA 322 Ca 0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3i4j h ALA 322 Cb 0.41 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i4j h ALA 322 CO 0.01 0.35 -0.08 0.87 0.00 0.00 0.00 179.25 180.40 3i4j h LYS 323 N 0.59 0.21 0.20 0.00 1.57 -1.29 0.42 116.57 118.27 3i4j h LYS 323 Ca 0.15 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3i4j h LYS 323 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3i4j h LYS 323 CO -0.02 0.63 -0.10 1.49 -0.57 0.00 0.00 179.45 180.88 3i4j h GLU 324 N -0.20 -0.26 -0.17 3.15 4.81 -1.11 -1.16 114.58 119.65 3i4j h GLU 324 Ca 0.02 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 3i4j h GLU 324 Cb 0.58 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 3i4j h GLU 324 CO 0.02 0.04 -0.30 0.00 -0.73 0.00 0.00 179.01 178.04 3i4j h ARG 325 N -0.57 0.32 -0.61 1.92 2.47 -0.90 -2.18 114.38 114.82 3i4j h ARG 325 Ca -0.03 -0.12 -0.07 0.00 -1.26 0.00 0.00 59.98 58.50 3i4j h ARG 325 Cb 0.42 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 3i4j h ARG 325 CO 0.05 0.60 0.10 0.78 0.56 0.00 0.00 179.97 182.05 3i4j h GLY 326 N 1.06 1.10 0.95 0.04 0.00 -0.85 -0.30 103.07 105.07 3i4j h GLY 326 Ca 0.04 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 3i4j h GLY 326 CO 0.05 0.68 0.16 0.00 0.00 0.00 0.00 176.54 177.42 3i4j h ALA 327 N 1.02 0.59 -0.24 3.60 0.00 -0.93 -1.02 119.26 122.28 3i4j h ALA 327 Ca 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i4j h ALA 327 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3i4j h ALA 327 CO 0.01 0.22 0.13 0.37 0.00 0.00 0.00 179.25 179.98 3i4j h GLN 328 N 0.58 0.33 -0.49 0.00 4.15 -1.15 -1.28 115.11 117.26 3i4j h GLN 328 Ca 0.15 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.47 3i4j h GLN 328 Cb 0.23 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 3i4j h GLN 328 CO -0.01 0.30 0.09 1.25 -1.93 0.00 0.00 178.83 178.54 3i4j h LEU 329 N 0.28 0.77 -0.56 -2.39 5.85 -0.96 -1.28 115.31 117.02 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 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3i4j h LEU 329 CO -0.01 0.82 0.35 0.25 -0.34 0.00 0.00 178.44 179.51 3i4j h LEU 330 N 0.68 0.66 -1.12 2.25 5.85 -1.07 -0.40 115.31 122.16 3i4j h LEU 330 Ca 0.15 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3i4j h LEU 330 Cb 0.37 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3i4j h LEU 330 CO 0.01 0.51 0.60 0.00 -0.34 0.00 0.00 178.44 179.21 3i4j h ALA 331 N 1.18 1.40 -0.65 1.25 0.00 -1.02 -1.08 119.26 120.34 3i4j h ALA 331 Ca 0.20 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3i4j h ALA 331 Cb -0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 3i4j h ALA 331 CO -0.04 0.53 0.05 0.78 0.00 0.00 0.00 179.25 180.57 3i4j h GLY 332 N 1.17 1.19 1.35 0.00 0.00 -0.20 -1.18 103.07 105.40 3i4j h GLY 332 Ca 0.35 -0.84 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 3i4j h GLY 332 CO -0.09 0.77 -0.25 1.41 0.00 0.00 0.00 176.54 178.38 3i4j h LEU 333 N 1.02 0.76 -0.94 3.11 3.38 -0.48 -2.22 115.31 119.94 3i4j h LEU 333 Ca 0.19 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3i4j h LEU 333 Cb 0.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3i4j h LEU 333 CO 0.02 0.98 -0.20 1.56 0.09 0.00 0.00 178.44 180.89 3i4j h GLN 334 N 0.64 0.55 -0.23 1.13 4.20 -1.00 -2.53 115.11 117.87 3i4j h GLN 334 Ca 0.09 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 3i4j h GLN 334 Cb 0.76 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 3i4j h GLN 334 CO 0.06 0.72 -0.24 0.00 -0.67 0.00 0.00 178.83 178.70 3i4j h ALA 335 N 1.30 1.15 0.00 3.87 0.00 -0.90 -2.78 119.26 121.91 3i4j h ALA 335 Ca 0.08 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3i4j h ALA 335 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3i4j h ALA 335 CO 0.04 0.54 -0.17 -0.07 0.00 0.00 0.00 179.25 179.59 3i4j h LEU 336 N 0.39 0.00 -1.60 0.00 3.38 -0.97 -3.12 115.31 113.39 3i4j h LEU 336 Ca 0.06 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3i4j h LEU 336 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3i4j h LEU 336 CO 0.05 0.17 0.30 1.56 0.09 0.00 0.00 178.44 180.61 3i4j h GLN 337 N 0.00 0.51 -0.79 1.13 4.20 -1.35 0.12 115.11 118.94 3i4j h GLN 337 Ca -0.00 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.70 3i4j h GLN 337 Cb 0.54 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.16 3i4j h GLN 337 CO 0.02 0.34 0.51 0.00 -0.67 0.00 0.00 178.83 179.03 3i4j h ALA 338 N 1.73 1.03 0.06 3.87 0.00 -1.70 -1.87 119.26 122.37 3i4j h ALA 338 Ca 0.18 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.81 3i4j h ALA 338 Cb 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3i4j h ALA 338 CO -0.04 0.34 -1.20 -0.09 0.00 0.00 0.00 179.25 178.26 3i4j h ARG 339 N 1.01 0.12 -2.79 0.00 2.43 -1.55 -3.40 114.38 110.19 3i4j h ARG 339 Ca 0.31 -0.20 -0.61 0.00 -0.81 0.00 0.00 59.98 58.67 3i4j h ARG 339 Cb -0.03 0.08 -0.41 0.00 -0.42 0.00 0.00 29.97 29.19 3i4j h ARG 339 CO -0.10 1.04 -0.69 1.19 -1.51 0.00 0.00 179.97 179.91 3i4j n PHE 340 N -3.40 2.18 0.63 2.20 3.72 0.36 -4.93 117.46 118.22 3i4j n PHE 340 Ca -0.06 -4.04 0.05 0.00 -0.05 0.00 0.00 57.45 53.35 3i4j n PHE 340 Cb 0.99 -0.40 0.30 0.00 -0.94 0.00 0.00 39.48 39.43 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 2.04 0.31 0.06 -1.08 -0.04 -0.74 -1.47 135.00 134.08 3i4j n PRO 341 Ca 0.23 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 3i4j n PRO 341 Cb 0.39 -1.50 0.44 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 -1.02 0.10 -2.51 0.54 3.00 -1.26 -4.25 117.38 111.98 3i4j n GLN 342 Ca 0.08 0.25 -0.40 0.00 -0.01 0.00 0.00 57.00 56.91 3i4j n GLN 342 Cb 0.04 -1.66 -0.03 0.00 0.00 0.00 0.00 30.24 28.58 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 -3.11 3.49 0.29 -1.09 -1.94 -0.54 -1.47 119.30 114.93 3i4j s MET 343 Ca 0.08 -1.04 -0.00 0.00 -1.71 0.00 0.00 55.69 53.02 3i4j s MET 343 Cb 0.12 -5.33 0.49 0.00 2.01 0.00 0.00 34.83 32.12 3i4j s MET 343 CO 0.41 -2.32 1.89 0.52 -0.01 0.00 0.00 175.02 175.51 3i4j h MET 344 N 9.94 1.04 -2.27 2.03 2.86 -0.19 -3.44 114.93 124.90 3i4j h MET 344 Ca 0.19 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 3i4j h MET 344 Cb 1.01 -0.24 -0.21 0.00 0.06 0.00 0.00 31.60 32.22 3i4j h MET 344 CO 1.41 0.69 0.02 -1.14 1.06 0.00 0.00 176.91 178.95 3i4j s GLN 345 N -5.96 0.80 -0.07 1.72 0.74 -1.08 -4.97 119.66 110.84 3i4j s GLN 345 Ca -0.12 0.59 0.04 0.00 0.05 0.00 0.00 55.36 55.92 3i4j s GLN 345 Cb 0.20 0.38 0.00 0.00 1.10 0.00 0.00 33.01 34.70 3i4j s GLN 345 CO 0.81 -0.16 -0.18 0.08 -0.55 0.00 0.00 175.29 175.29 3i4j s VAL 346 N -0.23 1.54 0.03 1.34 1.01 -1.26 -0.50 120.40 122.33 3i4j s VAL 346 Ca -0.04 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 3i4j s VAL 346 Cb -0.03 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 3i4j s VAL 346 CO 0.04 0.44 -0.01 -0.13 0.00 0.00 0.00 175.10 175.44 3i4j s ARG 347 N 0.35 0.45 -0.27 2.72 0.52 -0.44 -5.00 118.95 117.28 3i4j s ARG 347 Ca -0.12 -0.84 -0.25 0.00 -0.52 0.00 0.00 55.73 53.99 3i4j s ARG 347 Cb -0.15 0.16 0.13 0.00 0.52 0.00 0.00 34.95 35.61 3i4j s ARG 347 CO 0.05 -0.08 1.04 0.20 0.02 0.00 0.00 175.30 176.53 3i4j s GLY 348 N -2.06 -0.14 -0.22 -3.53 0.00 -1.26 -0.60 107.32 99.51 3i4j s GLY 348 Ca -0.06 2.65 -0.03 0.00 0.00 0.00 0.00 44.72 47.28 3i4j s GLY 348 CO -0.05 1.76 0.06 -1.59 0.00 0.00 0.00 173.10 173.29 3i4j s THR 349 N 0.10 0.42 0.00 0.90 2.01 -0.55 -5.01 115.64 113.51 3i4j s THR 349 Ca 0.03 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.40 3i4j s THR 349 Cb -0.05 -1.04 0.00 0.00 0.01 0.00 0.00 72.50 71.42 3i4j s THR 349 CO -0.06 -0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.15 3i4j n GLY 350 N 5.08 2.58 2.28 4.40 0.00 -1.24 -2.30 105.19 115.99 3i4j n GLY 350 Ca -0.07 -0.40 -0.30 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 7.28 -4.04 0.99 4.77 0.71 -4.29 117.00 122.43 3i4j n LEU 351 Ca 0.00 -3.98 -0.31 0.00 -0.03 0.00 0.00 56.01 51.68 3i4j n LEU 351 Cb 0.00 -0.92 -0.15 0.00 -2.33 0.00 0.00 43.42 40.02 3i4j n LEU 351 CO 0.00 1.29 -0.41 -0.22 -1.33 0.00 0.00 177.39 176.71 3i4j s LEU 352 N -3.57 3.79 0.23 2.23 2.96 -0.97 -4.19 118.68 119.15 3i4j s LEU 352 Ca 0.61 -1.64 0.07 0.00 -0.22 0.00 0.00 54.13 52.96 3i4j s LEU 352 Cb 0.49 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 45.60 3i4j s LEU 352 CO 0.04 -0.26 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.94 3i4j s LEU 353 N 1.07 2.51 -0.00 -0.68 1.02 -0.36 -1.48 118.68 120.76 3i4j s LEU 353 Ca -0.02 -1.08 -0.08 0.00 0.02 0.00 0.00 54.13 52.96 3i4j s LEU 353 Cb -0.20 -0.64 0.01 0.00 0.02 0.00 0.00 46.19 45.38 3i4j s LEU 353 CO -0.06 -0.24 0.17 -0.83 0.02 0.00 0.00 176.35 175.40 3i4j s GLY 354 N -3.36 0.01 -0.09 -3.19 0.00 0.23 -1.09 107.32 99.83 3i4j s GLY 354 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.94 3i4j s GLY 354 CO 0.08 -0.18 -0.08 0.14 0.00 0.00 0.00 173.10 173.06 3i4j s VAL 355 N -1.31 1.00 -0.22 1.40 1.01 -0.03 -1.33 120.40 120.92 3i4j s VAL 355 Ca -0.14 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 3i4j s VAL 355 Cb -0.07 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 3i4j s VAL 355 CO 0.02 0.35 0.17 -0.69 0.00 0.00 0.00 175.10 174.95 3i4j s VAL 356 N 1.37 5.36 0.18 2.92 1.01 0.34 -0.57 120.40 131.01 3i4j s VAL 356 Ca -0.02 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.26 3i4j s VAL 356 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3i4j s VAL 356 CO -0.04 0.37 0.04 -0.76 0.00 0.00 0.00 175.10 174.71 3i4j s LEU 357 N 0.87 3.45 0.00 3.92 1.43 0.10 0.44 118.68 128.89 3i4j s LEU 357 Ca 0.09 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 52.64 3i4j s LEU 357 Cb -0.13 -2.08 0.07 0.00 0.03 0.00 0.00 46.19 44.08 3i4j s LEU 357 CO 0.03 0.08 0.99 0.61 0.23 0.00 0.00 176.35 178.29 3i4j n GLY 358 N -0.25 0.51 3.78 -3.19 0.00 -0.54 -4.81 105.19 100.69 3i4j n GLY 358 Ca -0.09 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 3i4j n GLY 358 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i4j s ASP 359 N -3.28 7.30 0.00 1.61 2.15 -1.26 -4.66 116.67 118.54 3i4j s ASP 359 Ca 0.23 1.86 0.00 0.00 0.43 0.00 0.00 52.55 55.07 3i4j s ASP 359 Cb -0.02 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 3i4j s ASP 359 CO 0.03 -0.09 0.39 0.18 -0.17 0.00 0.00 175.17 175.50 3i4j n LEU 360 N 0.54 0.13 0.00 -1.34 4.77 -1.26 -5.01 117.00 114.83 3i4j n LEU 360 Ca 0.02 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3i4j n LEU 360 Cb 0.50 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3i4j n LEU 360 CO 0.45 0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.54 3i4j n ILE 371 N -0.28 0.00 0.19 -0.08 0.13 -1.26 -5.12 119.36 112.93 3i4j n ILE 371 Ca 0.00 0.00 0.03 0.00 -1.10 0.00 0.00 62.75 61.68 3i4j n ILE 371 Cb 0.03 0.00 0.36 0.00 -0.84 0.00 0.00 39.64 39.19 3i4j n ILE 371 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3i4j h ALA 372 N 0.00 1.38 -0.00 1.51 0.00 -1.88 -2.06 119.26 118.21 3i4j h ALA 372 Ca 0.00 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 3i4j h ALA 372 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3i4j h ALA 372 CO 0.00 0.46 -0.80 0.77 0.00 0.00 0.00 179.25 179.68 3i4j h SER 373 N 0.00 0.04 0.64 0.00 0.02 -1.97 -0.85 113.55 111.43 3i4j h SER 373 Ca -0.00 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3i4j h SER 373 Cb 0.66 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.19 3i4j h SER 373 CO 0.05 0.82 -0.31 0.03 -1.14 0.00 0.00 176.83 176.29 3i4j h ARG 374 N 0.02 -0.82 -0.80 3.45 3.08 -1.82 0.18 114.38 117.65 3i4j h ARG 374 Ca -0.01 0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3i4j h ARG 374 Cb 1.41 0.19 -0.04 0.00 0.08 0.00 0.00 29.97 31.61 3i4j h ARG 374 CO 0.11 -0.51 0.46 0.82 -1.07 0.00 0.00 179.97 179.78 3i4j h ILE 375 N -1.04 1.23 -0.77 2.04 5.03 -1.51 -0.39 117.51 122.10 3i4j h ILE 375 Ca -0.09 -0.54 -0.01 0.00 -0.12 0.00 0.00 64.86 64.10 3i4j h ILE 375 Cb 0.70 0.12 -0.04 0.00 -3.03 0.00 0.00 36.82 34.57 3i4j h ILE 375 CO 0.14 0.25 0.44 1.23 -0.68 0.00 0.00 178.15 179.53 3i4j h GLY 376 N 1.14 1.13 1.04 5.37 0.00 -1.00 0.17 103.07 110.92 3i4j h GLY 376 Ca 0.29 -0.49 -0.14 0.00 0.00 0.00 0.00 47.33 46.98 3i4j h GLY 376 CO -0.05 0.47 -0.36 0.00 0.00 0.00 0.00 176.54 176.60 3i4j h ALA 377 N 1.23 0.47 -0.52 3.60 0.00 -0.10 -1.79 119.26 122.15 3i4j h ALA 377 Ca 0.27 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3i4j h ALA 377 Cb -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3i4j h ALA 377 CO -0.05 0.54 0.08 0.00 0.00 0.00 0.00 179.25 179.83 3i4j h ALA 378 N 0.72 1.16 -0.47 0.00 0.00 -0.80 -2.23 119.26 117.63 3i4j h ALA 378 Ca 0.04 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3i4j h ALA 378 Cb 0.95 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3i4j h ALA 378 CO 0.09 0.56 0.03 0.00 0.00 0.00 0.00 179.25 179.92 3i4j h ALA 379 N 1.30 0.63 -0.24 0.00 0.00 -0.53 -2.23 119.26 118.19 3i4j h ALA 379 Ca 0.16 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3i4j h ALA 379 Cb 0.36 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3i4j h ALA 379 CO 0.01 0.40 0.10 1.25 0.00 0.00 0.00 179.25 181.02 3i4j h LEU 380 N 0.67 0.14 -1.39 0.00 6.46 -0.97 0.31 115.31 120.54 3i4j h LEU 380 Ca 0.14 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.95 3i4j h LEU 380 Cb 0.46 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.35 3i4j h LEU 380 CO 0.02 0.12 0.45 0.50 -0.62 0.00 0.00 178.44 178.90 3i4j h LYS 381 N 0.23 0.77 0.00 1.25 3.64 -1.29 0.19 116.57 121.36 3i4j h LYS 381 Ca 0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3i4j h LYS 381 Cb 0.04 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3i4j h LYS 381 CO -0.08 0.51 0.00 0.00 -2.27 0.00 0.00 179.45 177.61 3i4j h ARG 382 N 0.79 0.00 0.00 1.90 2.47 -0.65 -3.47 114.38 115.42 3i4j h ARG 382 Ca 0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 3i4j h ARG 382 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 3i4j h ARG 382 CO -0.08 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.86 3i4j n GLY 383 N 0.32 1.98 3.02 0.04 0.00 0.67 -5.03 105.19 106.19 3i4j n GLY 383 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 1.65 -0.03 0.99 2.96 0.84 -1.02 118.68 124.06 3i4j s LEU 384 Ca 0.00 -0.46 -0.24 0.00 -0.22 0.00 0.00 54.13 53.21 3i4j s LEU 384 Cb 0.00 -1.13 -0.04 0.00 0.50 0.00 0.00 46.19 45.52 3i4j s LEU 384 CO 0.00 -0.04 0.74 -0.63 -1.32 0.00 0.00 176.35 175.10 3i4j s ILE 385 N 1.39 4.96 0.36 6.68 -1.09 -0.26 -2.89 121.20 130.35 3i4j s ILE 385 Ca 0.02 1.55 0.06 0.00 -2.23 0.00 0.00 60.65 60.05 3i4j s ILE 385 Cb -0.13 -4.09 -0.07 0.00 -1.58 0.00 0.00 42.46 36.59 3i4j s ILE 385 CO -0.08 0.27 0.01 0.42 -1.23 0.00 0.00 174.94 174.32 3i4j s THR 386 N 0.62 1.70 0.00 2.92 -4.23 -1.26 -1.79 115.64 113.61 3i4j s THR 386 Ca 0.39 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3i4j s THR 386 Cb -0.19 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 70.82 3i4j s THR 386 CO 0.20 -0.06 0.51 0.00 -0.54 0.00 0.00 174.62 174.74 3i4j n TYR 387 N -0.81 0.00 0.00 3.99 9.36 -1.19 -4.79 117.16 123.71 3i4j n TYR 387 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 3i4j n TYR 387 Cb 0.66 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 39.36 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 -0.69 0.00 -4.43 2.98 5.68 -1.26 -4.89 116.55 113.93 3i4j n ASP 399 Ca 0.00 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 53.99 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 -0.55 2.48 -0.14 2.11 3.76 -1.26 0.03 115.29 121.71 3i4j s HIS 400 Ca 0.00 -0.30 0.01 0.00 -0.15 0.00 0.00 55.06 54.62 3i4j s HIS 400 Cb 0.00 -1.41 0.02 0.00 1.11 0.00 0.00 32.58 32.30 3i4j s HIS 400 CO 0.00 0.26 -0.17 -1.17 -0.85 0.00 0.00 174.74 172.81 3i4j s LEU 401 N -1.57 1.83 -0.22 0.89 2.96 0.26 -4.79 118.68 118.06 3i4j s LEU 401 Ca 0.14 -0.52 -0.09 0.00 -0.22 0.00 0.00 54.13 53.45 3i4j s LEU 401 Cb -0.10 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 45.29 3i4j s LEU 401 CO 0.05 -0.01 0.11 -0.22 -1.32 0.00 0.00 176.35 174.96 3i4j s LEU 402 N 1.24 3.92 0.13 -0.68 2.96 -1.26 -0.85 118.68 124.14 3i4j s LEU 402 Ca 0.01 0.07 0.11 0.00 -0.22 0.00 0.00 54.13 54.09 3i4j s LEU 402 Cb -0.14 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 3i4j s LEU 402 CO -0.08 0.10 -0.27 -0.76 -1.32 0.00 0.00 176.35 174.03 3i4j s LEU 403 N 0.82 2.32 0.00 -0.68 1.43 -0.25 -3.20 118.68 119.12 3i4j s LEU 403 Ca 0.06 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 3i4j s LEU 403 Cb -0.13 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.87 3i4j s LEU 403 CO 0.02 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.39 3i4j n GLY 404 N 0.91 -1.94 3.76 -3.19 0.00 -0.05 -1.22 105.19 103.46 3i4j n GLY 404 Ca -0.18 1.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.55 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 0.75 0.42 1.61 0.04 -0.32 -2.37 135.00 135.12 3i4j s PRO 405 Ca 0.00 0.22 -0.25 0.00 0.04 0.00 0.00 61.00 61.00 3i4j s PRO 405 Cb 0.00 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.64 3i4j s PRO 405 CO 0.00 -2.45 1.26 -2.30 0.04 0.00 0.00 177.00 173.55 3i4j n PRO 406 N -3.93 1.90 0.20 0.56 -0.02 -1.26 -4.78 135.00 127.68 3i4j n PRO 406 Ca 0.08 0.68 0.14 0.00 -2.02 0.00 0.00 63.50 62.38 3i4j n PRO 406 Cb 0.59 -2.37 0.72 0.00 -0.02 0.00 0.00 33.50 32.41 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 2.05 0.00 -1.26 2.45 4.07 -0.75 -0.83 115.31 121.05 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 1.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.04 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 -2.48 1.90 -4.74 -0.43 3.41 -1.24 -4.42 113.62 105.62 3i4j n SER 408 Ca -0.01 -1.73 -0.39 0.00 -0.26 0.00 0.00 58.87 56.48 3i4j n SER 408 Cb 0.09 -0.11 0.03 0.00 -0.26 0.00 0.00 64.21 63.96 3i4j n SER 408 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i4j n ILE 409 N 0.48 3.28 -3.01 -1.33 3.06 -0.32 -5.00 119.36 116.52 3i4j n ILE 409 Ca 0.17 -0.50 -0.24 0.00 -2.50 0.00 0.00 62.75 59.68 3i4j n ILE 409 Cb 0.37 -1.70 0.01 0.00 0.54 0.00 0.00 39.64 38.86 3i4j n ILE 409 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3i4j s THR 410 N -1.25 4.31 0.21 9.51 -4.23 -1.26 -4.93 115.64 118.00 3i4j s THR 410 Ca 0.66 -0.40 -0.09 0.00 -1.18 0.00 0.00 61.69 60.69 3i4j s THR 410 Cb -0.44 -3.60 0.16 0.00 1.34 0.00 0.00 72.50 69.96 3i4j s THR 410 CO 0.53 -0.44 1.82 0.00 -0.54 0.00 0.00 174.62 176.00 3i4j h ALA 411 N 0.43 0.95 -0.62 3.99 0.00 -1.99 0.64 119.26 122.66 3i4j h ALA 411 Ca -0.47 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 3i4j h ALA 411 Cb 1.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3i4j h ALA 411 CO 0.59 0.12 0.20 0.00 0.00 0.00 0.00 179.25 180.16 3i4j h ALA 412 N 1.35 1.18 -0.03 0.00 0.00 -2.00 -2.04 119.26 117.72 3i4j h ALA 412 Ca 0.31 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3i4j h ALA 412 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3i4j h ALA 412 CO -0.17 0.57 -0.45 0.93 0.00 0.00 0.00 179.25 180.13 3i4j h GLU 413 N 0.91 0.08 -0.51 0.00 5.08 -1.62 -1.41 114.58 117.11 3i4j h GLU 413 Ca 0.21 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 3i4j h GLU 413 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3i4j h GLU 413 CO -0.01 0.52 -0.09 0.28 -1.00 0.00 0.00 179.01 178.71 3i4j h VAL 414 N 0.07 1.27 -0.37 3.13 2.07 -0.25 -0.69 116.25 121.48 3i4j h VAL 414 Ca 0.00 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 3i4j h VAL 414 Cb 0.83 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3i4j h VAL 414 CO 0.06 0.43 -0.05 0.44 0.02 0.00 0.00 177.57 178.47 3i4j h ASP 415 N 0.82 0.58 -0.59 0.57 3.32 -1.07 -1.34 116.42 118.71 3i4j h ASP 415 Ca 0.13 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 3i4j h ASP 415 Cb 0.64 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 3i4j h ASP 415 CO 0.04 0.69 0.02 1.23 -1.72 0.00 0.00 179.24 179.51 3i4j h GLY 416 N 0.92 1.13 0.94 2.75 0.00 -0.87 -0.57 103.07 107.37 3i4j h GLY 416 Ca 0.11 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 3i4j h GLY 416 CO 0.02 0.74 0.11 -2.00 0.00 0.00 0.00 176.54 175.41 3i4j h LEU 417 N 0.96 0.27 -0.98 3.11 6.46 -0.64 -1.69 115.31 122.79 3i4j h LEU 417 Ca 0.18 -0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 3i4j h LEU 417 Cb 0.52 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.33 3i4j h LEU 417 CO 0.03 0.29 0.65 -0.07 -0.62 0.00 0.00 178.44 178.71 3i4j h LEU 418 N 0.24 1.10 -0.58 2.25 3.38 -0.98 -1.00 115.31 119.72 3i4j h LEU 418 Ca 0.08 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3i4j h LEU 418 Cb 0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3i4j h LEU 418 CO -0.01 0.77 0.21 0.00 0.09 0.00 0.00 178.44 179.50 3i4j h ALA 419 N 1.38 0.76 -0.61 1.53 0.00 -0.76 -0.87 119.26 120.70 3i4j h ALA 419 Ca 0.38 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3i4j h ALA 419 Cb -0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3i4j h ALA 419 CO -0.10 0.40 0.08 -0.07 0.00 0.00 0.00 179.25 179.56 3i4j h LEU 420 N 0.82 0.98 -0.53 0.00 3.38 -0.83 -2.23 115.31 116.91 3i4j h LEU 420 Ca 0.19 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3i4j h LEU 420 Cb 0.24 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3i4j h LEU 420 CO -0.01 1.00 0.18 0.25 0.09 0.00 0.00 178.44 179.95 3i4j h LEU 421 N 0.93 0.76 -0.96 1.67 5.85 -0.95 -1.87 115.31 120.74 3i4j h LEU 421 Ca 0.18 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.77 3i4j h LEU 421 Cb 0.45 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 3i4j h LEU 421 CO 0.02 0.75 0.61 0.00 -0.34 0.00 0.00 178.44 179.48 3i4j h ALA 422 N 1.03 1.33 -0.48 1.25 0.00 -0.96 0.51 119.26 121.94 3i4j h ALA 422 Ca 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3i4j h ALA 422 Cb 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3i4j h ALA 422 CO -0.01 0.38 0.19 0.78 0.00 0.00 0.00 179.25 180.59 3i4j h GLY 423 N 1.11 0.77 0.99 0.00 0.00 -0.91 0.39 103.07 105.41 3i4j h GLY 423 Ca 0.42 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3i4j h GLY 423 CO -0.18 0.40 0.28 0.00 0.00 0.00 0.00 176.54 177.04 3i4j h ALA 424 N 1.03 0.74 -0.64 3.60 0.00 -0.53 0.59 119.26 124.05 3i4j h ALA 424 Ca 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3i4j h ALA 424 Cb 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3i4j h ALA 424 CO -0.01 0.30 0.33 -0.07 0.00 0.00 0.00 179.25 179.79 3i4j h LEU 425 N 0.77 0.82 -0.61 0.00 4.07 -0.68 -1.69 115.31 117.99 3i4j h LEU 425 Ca 0.20 -0.11 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 3i4j h LEU 425 Cb 0.11 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 3i4j h LEU 425 CO -0.03 0.70 0.32 -0.08 -1.08 0.00 0.00 178.44 178.27 3i4j h GLU 426 N 0.88 0.86 -0.33 1.13 4.57 -0.41 0.56 114.58 121.84 3i4j h GLU 426 Ca 0.22 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3i4j h GLU 426 Cb 0.08 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 3i4j h GLU 426 CO -0.03 0.67 0.21 -0.44 -1.18 0.00 0.00 179.01 178.23 3i4j h ASP 427 N 0.83 0.39 0.14 1.04 3.32 -0.50 -3.27 116.42 118.36 3i4j h ASP 427 Ca 0.21 -0.03 -0.20 0.00 0.02 0.00 0.00 57.03 57.03 3i4j h ASP 427 Cb 0.07 -0.10 0.02 0.00 0.22 0.00 0.00 39.33 39.54 3i4j h ASP 427 CO -0.03 0.31 -0.88 0.58 -1.72 0.00 0.00 179.24 177.49 3i4j h VAL 428 N 0.43 1.46 -0.02 -1.35 2.07 -1.15 -3.52 116.25 114.18 3i4j h VAL 428 Ca 0.12 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 65.11 3i4j h VAL 428 Cb -0.02 3.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 3i4j h VAL 428 CO -0.02 0.72 0.00 0.18 0.02 0.00 0.00 177.57 178.46