#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4k n LEU 6 N 0.00 1.49 -4.77 -2.67 7.94 -1.26 -2.46 117.00 115.26 3i4k n LEU 6 Ca 0.00 -1.60 -0.41 0.00 -1.11 0.00 0.00 56.01 52.90 3i4k n LEU 6 Cb 0.00 -0.04 -0.01 0.00 0.53 0.00 0.00 43.42 43.90 3i4k n LEU 6 CO 0.00 0.39 1.08 -0.89 -1.11 0.00 0.00 177.39 176.86 3i4k s THR 7 N -0.91 2.30 -0.38 1.96 2.01 -1.26 -2.57 115.64 116.80 3i4k s THR 7 Ca 0.03 0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.05 3i4k s THR 7 Cb 0.03 -3.20 0.01 0.00 0.01 0.00 0.00 72.50 69.36 3i4k s THR 7 CO 0.00 0.07 1.24 -0.63 -0.69 0.00 0.00 174.62 174.62 3i4k s ILE 8 N -1.10 4.17 -0.13 1.82 1.09 0.12 0.61 121.20 127.77 3i4k s ILE 8 Ca 0.51 1.26 -0.12 0.00 -1.10 0.00 0.00 60.65 61.21 3i4k s ILE 8 Cb -0.44 -4.34 -0.25 0.00 -1.06 0.00 0.00 42.46 36.37 3i4k s ILE 8 CO 0.59 -0.69 0.40 1.56 -0.10 0.00 0.00 174.94 176.70 3i4k h GLN 9 N 9.39 0.22 -3.23 2.79 1.08 -0.61 0.23 115.11 124.98 3i4k h GLN 9 Ca -0.25 -0.38 -0.08 0.00 -1.45 0.00 0.00 58.65 56.50 3i4k h GLN 9 Cb 1.08 0.14 -0.16 0.00 -0.05 0.00 0.00 27.48 28.49 3i4k h GLN 9 CO 1.07 1.18 -0.16 0.21 -0.95 0.00 0.00 178.83 180.18 3i4k s LYS 10 N -2.50 0.91 -0.03 1.46 2.20 -1.03 -4.76 119.74 115.98 3i4k s LYS 10 Ca -0.23 -0.51 -0.00 0.00 -0.36 0.00 0.00 55.97 54.87 3i4k s LYS 10 Cb 0.06 0.40 0.03 0.00 -1.51 0.00 0.00 37.83 36.80 3i4k s LYS 10 CO 0.74 -0.31 0.01 0.14 -0.36 0.00 0.00 175.35 175.57 3i4k s VAL 11 N -2.83 0.11 0.26 4.02 -7.23 -1.26 0.51 120.40 113.98 3i4k s VAL 11 Ca -0.03 0.15 0.07 0.00 -1.81 0.00 0.00 61.98 60.36 3i4k s VAL 11 Cb 0.00 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.65 3i4k s VAL 11 CO -0.05 0.15 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.18 3i4k s GLU 12 N 1.22 1.50 -0.05 4.82 2.02 -0.26 -4.95 118.70 123.00 3i4k s GLU 12 Ca -0.07 -1.73 -0.03 0.00 0.02 0.00 0.00 54.97 53.16 3i4k s GLU 12 Cb -0.13 -1.20 0.02 0.00 0.10 0.00 0.00 34.13 32.92 3i4k s GLU 12 CO -0.02 0.10 0.12 -1.54 0.02 0.00 0.00 175.26 173.94 3i4k s SER 13 N -3.41 -0.10 -0.11 -0.19 1.04 -1.26 -0.10 113.70 109.57 3i4k s SER 13 Ca 0.28 0.25 -0.02 0.00 0.48 0.00 0.00 55.95 56.93 3i4k s SER 13 Cb 0.02 0.20 0.04 0.00 0.10 0.00 0.00 66.02 66.37 3i4k s SER 13 CO 0.11 -0.09 0.01 -0.13 0.98 0.00 0.00 173.24 174.12 3i4k s ARG 14 N 0.54 0.67 0.32 4.02 0.52 -0.21 -4.96 118.95 119.84 3i4k s ARG 14 Ca -0.04 -0.06 -0.29 0.00 -0.52 0.00 0.00 55.73 54.82 3i4k s ARG 14 Cb -0.06 -1.34 -0.10 0.00 0.52 0.00 0.00 34.95 33.97 3i4k s ARG 14 CO -0.02 -0.40 1.29 0.42 0.02 0.00 0.00 175.30 176.61 3i4k s ILE 15 N 1.93 2.82 -0.04 1.52 1.01 -1.26 -1.68 121.20 125.49 3i4k s ILE 15 Ca 0.03 0.81 0.01 0.00 0.00 0.00 0.00 60.65 61.50 3i4k s ILE 15 Cb -0.14 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 38.84 3i4k s ILE 15 CO -0.06 0.19 -0.06 -0.76 0.00 0.00 0.00 174.94 174.24 3i4k s LEU 16 N -1.61 1.48 -0.21 2.97 1.43 0.27 -1.78 118.68 121.23 3i4k s LEU 16 Ca 0.49 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.40 3i4k s LEU 16 Cb -0.39 -0.51 -0.01 0.00 0.03 0.00 0.00 46.19 45.31 3i4k s LEU 16 CO 0.51 -0.02 -0.05 -1.81 0.23 0.00 0.00 176.35 175.21 3i4k s ASP 17 N 0.72 4.29 -0.10 2.29 1.01 -0.81 -0.21 116.67 123.85 3i4k s ASP 17 Ca -0.11 -0.38 0.01 0.00 0.71 0.00 0.00 52.55 52.79 3i4k s ASP 17 Cb -0.13 -1.73 0.02 0.00 1.01 0.00 0.00 42.92 42.09 3i4k s ASP 17 CO 0.01 0.01 -0.12 0.54 0.21 0.00 0.00 175.17 175.82 3i4k s VAL 18 N 1.32 1.25 0.96 -1.27 0.11 -0.82 -4.81 120.40 117.14 3i4k s VAL 18 Ca 0.04 -0.48 -0.13 0.00 -2.93 0.00 0.00 61.98 58.48 3i4k s VAL 18 Cb -0.14 -1.18 0.04 0.00 -1.53 0.00 0.00 36.38 33.56 3i4k s VAL 18 CO -0.02 0.39 0.37 -2.65 -3.33 0.00 0.00 175.10 169.86 3i4k n PRO 19 N 4.38 -0.34 -4.85 1.54 -0.02 -1.26 -1.68 135.00 132.77 3i4k n PRO 19 Ca -0.18 -0.06 -0.33 0.00 -2.02 0.00 0.00 63.50 60.91 3i4k n PRO 19 Cb 0.51 -1.84 -0.14 0.00 -0.02 0.00 0.00 33.50 32.01 3i4k n PRO 19 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i4k s LEU 20 N -0.93 2.67 0.60 2.45 1.02 -1.11 -0.32 118.68 123.06 3i4k s LEU 20 Ca 0.56 -0.31 0.30 0.00 0.02 0.00 0.00 54.13 54.71 3i4k s LEU 20 Cb -0.21 -1.58 1.64 0.00 0.02 0.00 0.00 46.19 46.07 3i4k s LEU 20 CO 0.68 0.22 1.91 0.40 0.02 0.00 0.00 176.35 179.58 3i4k h ILE 21 N 5.10 0.00 -2.13 -0.59 2.04 -1.65 -3.42 117.51 116.87 3i4k h ILE 21 Ca -0.31 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 3i4k h ILE 21 Cb 1.20 0.67 -0.20 0.00 -0.74 0.00 0.00 36.82 37.75 3i4k h ILE 21 CO 0.53 0.00 0.11 -0.13 0.00 0.00 0.00 178.15 178.66 3i4k s ARG 22 N -3.97 0.92 0.28 2.37 0.52 -1.26 -5.05 118.95 112.76 3i4k s ARG 22 Ca -0.03 0.48 -0.30 0.00 -0.52 0.00 0.00 55.73 55.35 3i4k s ARG 22 Cb 0.09 0.44 -0.12 0.00 0.52 0.00 0.00 34.95 35.88 3i4k s ARG 22 CO 0.27 -0.23 1.63 -2.30 0.02 0.00 0.00 175.30 174.70 3i4k n PRO 23 N 1.63 2.74 -3.56 3.54 -0.02 -1.26 -4.96 135.00 133.10 3i4k n PRO 23 Ca -0.17 0.98 -0.41 0.00 -2.02 0.00 0.00 63.50 61.88 3i4k n PRO 23 Cb 0.56 -2.78 -0.09 0.00 -0.02 0.00 0.00 33.50 31.18 3i4k n PRO 23 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3i4k s HIS 24 N 0.24 3.40 -0.02 6.00 2.46 -0.26 -4.92 115.29 122.19 3i4k s HIS 24 Ca 0.66 -1.76 -0.22 0.00 0.47 0.00 0.00 55.06 54.21 3i4k s HIS 24 Cb -0.49 -3.36 -0.05 0.00 -0.13 0.00 0.00 32.58 28.55 3i4k s HIS 24 CO 0.45 -0.95 0.63 0.20 -2.47 0.00 0.00 174.74 172.60 3i4k s GLY 25 N 2.54 2.62 0.25 1.59 0.00 -1.26 -0.12 107.32 112.94 3i4k s GLY 25 Ca 0.05 0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.86 3i4k s GLY 25 CO 0.00 0.89 0.15 0.69 0.00 0.00 0.00 173.10 174.83 3i4k n PHE 26 N 3.02 -0.77 -0.04 1.90 3.72 0.32 -1.36 117.46 124.25 3i4k n PHE 26 Ca -0.05 -1.08 -0.00 0.00 -0.05 0.00 0.00 57.45 56.27 3i4k n PHE 26 Cb 0.51 -0.19 0.29 0.00 -0.94 0.00 0.00 39.48 39.14 3i4k n PHE 26 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i4k h ALA 27 N 0.79 1.39 0.00 4.37 0.00 -1.90 -3.33 119.26 120.59 3i4k h ALA 27 Ca -0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3i4k h ALA 27 Cb 0.58 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3i4k h ALA 27 CO 0.26 0.44 0.00 0.25 0.00 0.00 0.00 179.25 180.20 3i4k n THR 28 N -4.32 0.08 -4.09 0.00 -2.24 -1.26 -4.18 114.28 98.27 3i4k n THR 28 Ca 0.03 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 3i4k n THR 28 Cb 0.20 1.41 -0.06 0.00 -2.10 0.00 0.00 70.33 69.78 3i4k n THR 28 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i4k s THR 29 N -0.08 0.00 -0.11 4.28 -4.23 -1.25 -5.16 115.64 109.09 3i4k s THR 29 Ca 0.00 -1.65 -0.05 0.00 -1.18 0.00 0.00 61.69 58.82 3i4k s THR 29 Cb 0.00 -2.47 0.05 0.00 1.34 0.00 0.00 72.50 71.42 3i4k s THR 29 CO 0.00 0.00 0.23 -0.89 -0.54 0.00 0.00 174.62 173.42 3i4k s THR 30 N -3.60 -0.25 -0.10 3.99 2.01 -1.26 0.12 115.64 116.55 3i4k s THR 30 Ca 0.30 0.25 -0.17 0.00 0.31 0.00 0.00 61.69 62.38 3i4k s THR 30 Cb 0.01 -0.38 -0.05 0.00 0.01 0.00 0.00 72.50 72.09 3i4k s THR 30 CO 0.15 0.10 0.44 -0.44 -0.69 0.00 0.00 174.62 174.19 3i4k s SER 31 N 1.95 6.68 -0.03 3.53 0.01 0.83 -4.91 113.70 121.76 3i4k s SER 31 Ca -0.02 0.80 0.22 0.00 1.31 0.00 0.00 55.95 58.26 3i4k s SER 31 Cb -0.11 -2.27 -0.33 0.00 0.21 0.00 0.00 66.02 63.51 3i4k s SER 31 CO -0.08 0.08 0.49 0.35 0.41 0.00 0.00 173.24 174.49 3i4k n THR 32 N 3.29 0.01 -3.61 1.44 -2.24 -1.26 -1.11 114.28 110.80 3i4k n THR 32 Ca -0.09 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.06 3i4k n THR 32 Cb 0.52 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.69 3i4k n THR 32 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3i4k s GLU 33 N -3.51 0.99 -0.16 -0.78 -1.05 -1.26 -2.76 118.70 110.15 3i4k s GLU 33 Ca -0.08 -0.29 -0.07 0.00 -0.15 0.00 0.00 54.97 54.38 3i4k s GLU 33 Cb 0.14 0.45 -0.04 0.00 -0.44 0.00 0.00 34.13 34.23 3i4k s GLU 33 CO 0.91 -0.35 0.07 -1.14 0.95 0.00 0.00 175.26 175.70 3i4k s GLN 34 N -2.46 3.81 0.08 -4.83 2.00 -0.68 -4.92 119.66 112.66 3i4k s GLN 34 Ca -0.05 -0.30 -0.10 0.00 -2.00 0.00 0.00 55.36 52.91 3i4k s GLN 34 Cb -0.01 -3.18 -0.06 0.00 0.80 0.00 0.00 33.01 30.56 3i4k s GLN 34 CO -0.02 0.41 0.40 -1.01 -0.50 0.00 0.00 175.29 174.57 3i4k s HIS 35 N 0.00 3.58 -0.11 1.67 3.76 -1.26 -1.95 115.29 120.98 3i4k s HIS 35 Ca 0.07 0.78 -0.07 0.00 -0.15 0.00 0.00 55.06 55.69 3i4k s HIS 35 Cb -0.12 -2.15 0.04 0.00 1.11 0.00 0.00 32.58 31.46 3i4k s HIS 35 CO 0.01 0.51 0.26 0.42 -0.85 0.00 0.00 174.74 175.09 3i4k s ILE 36 N -1.41 -0.03 -0.42 0.60 1.01 0.70 -4.63 121.20 117.02 3i4k s ILE 36 Ca 0.33 0.10 -0.15 0.00 0.00 0.00 0.00 60.65 60.93 3i4k s ILE 36 Cb -0.14 -0.39 0.03 0.00 0.01 0.00 0.00 42.46 41.97 3i4k s ILE 36 CO 0.18 0.04 0.33 -0.22 0.00 0.00 0.00 174.94 175.27 3i4k s LEU 37 N 0.97 5.17 -0.41 2.97 2.96 -0.81 0.94 118.68 130.47 3i4k s LEU 37 Ca -0.07 -0.95 -0.20 0.00 -0.22 0.00 0.00 54.13 52.69 3i4k s LEU 37 Cb -0.08 -2.18 0.02 0.00 0.50 0.00 0.00 46.19 44.44 3i4k s LEU 37 CO -0.06 -0.50 0.61 -0.22 -1.32 0.00 0.00 176.35 174.86 3i4k s LEU 38 N 1.72 4.47 0.06 -0.68 2.96 -0.67 -0.05 118.68 126.49 3i4k s LEU 38 Ca 0.05 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 3i4k s LEU 38 Cb -0.20 -2.70 -0.04 0.00 0.50 0.00 0.00 46.19 43.75 3i4k s LEU 38 CO 0.10 -0.70 0.20 -0.69 -1.32 0.00 0.00 176.35 173.93 3i4k s VAL 39 N 2.71 5.32 -0.01 1.68 1.01 0.37 -1.05 120.40 130.44 3i4k s VAL 39 Ca 0.22 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3i4k s VAL 39 Cb -0.14 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.65 3i4k s VAL 39 CO 0.17 0.14 0.01 -0.94 0.00 0.00 0.00 175.10 174.48 3i4k s SER 40 N -2.50 0.05 -0.28 3.32 1.04 0.86 -1.52 113.70 114.67 3i4k s SER 40 Ca 0.35 0.01 -0.06 0.00 0.48 0.00 0.00 55.95 56.72 3i4k s SER 40 Cb -0.13 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.96 3i4k s SER 40 CO 0.27 -0.05 0.07 -0.69 0.98 0.00 0.00 173.24 173.82 3i4k s VAL 41 N 0.40 3.93 -0.29 5.02 1.01 -0.17 -1.10 120.40 129.19 3i4k s VAL 41 Ca -0.03 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 3i4k s VAL 41 Cb -0.05 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3i4k s VAL 41 CO -0.01 0.14 0.27 -1.00 0.00 0.00 0.00 175.10 174.50 3i4k s HIS 42 N 1.51 3.23 0.12 5.22 3.76 0.18 -1.52 115.29 127.80 3i4k s HIS 42 Ca 0.03 0.18 -0.00 0.00 -0.15 0.00 0.00 55.06 55.12 3i4k s HIS 42 Cb -0.17 -2.48 -0.04 0.00 1.11 0.00 0.00 32.58 31.00 3i4k s HIS 42 CO 0.02 -0.23 0.29 -0.51 -0.85 0.00 0.00 174.74 173.46 3i4k s LEU 43 N 1.89 4.32 0.36 0.89 1.43 -0.74 0.14 118.68 126.96 3i4k s LEU 43 Ca 0.10 0.31 0.16 0.00 -1.03 0.00 0.00 54.13 53.67 3i4k s LEU 43 Cb -0.16 -3.03 1.11 0.00 0.03 0.00 0.00 46.19 44.14 3i4k s LEU 43 CO 0.11 0.08 1.68 -0.08 0.23 0.00 0.00 176.35 178.36 3i4k h GLU 44 N 2.56 0.32 -0.95 1.70 4.57 -0.04 0.40 114.58 123.14 3i4k h GLU 44 Ca -0.47 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.67 3i4k h GLU 44 Cb 1.18 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 3i4k h GLU 44 CO 0.72 0.21 0.03 0.27 -1.18 0.00 0.00 179.01 179.06 3i4k n ASN 45 N -4.94 2.12 0.00 1.04 2.04 -1.03 -4.88 115.26 109.61 3i4k n ASN 45 Ca 0.31 -2.18 0.00 0.00 -0.44 0.00 0.00 54.58 52.27 3i4k n ASN 45 Cb 1.00 -0.54 0.00 0.00 -2.53 0.00 0.00 39.78 37.71 3i4k n ASN 45 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3i4k n GLY 46 N 0.13 2.01 3.76 4.83 0.00 0.14 -4.99 105.19 111.07 3i4k n GLY 46 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3i4k n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4k s VAL 47 N -1.62 2.85 -0.08 1.61 0.11 -1.26 -4.76 120.40 117.25 3i4k s VAL 47 Ca 0.00 0.54 0.02 0.00 -2.93 0.00 0.00 61.98 59.62 3i4k s VAL 47 Cb 0.00 -3.23 0.01 0.00 -1.53 0.00 0.00 36.38 31.64 3i4k s VAL 47 CO 0.00 -0.10 -0.15 -0.63 -3.33 0.00 0.00 175.10 170.89 3i4k s ILE 48 N -1.64 1.40 0.07 7.04 1.01 -1.26 -1.80 121.20 126.03 3i4k s ILE 48 Ca 0.74 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.81 3i4k s ILE 48 Cb -0.28 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 3i4k s ILE 48 CO 0.31 0.42 0.00 -0.83 0.00 0.00 0.00 174.94 174.85 3i4k s GLY 49 N 0.69 1.92 0.04 6.18 0.00 -0.57 -4.61 107.32 110.97 3i4k s GLY 49 Ca -0.13 -1.08 0.07 0.00 0.00 0.00 0.00 44.72 43.57 3i4k s GLY 49 CO 0.04 -1.04 -0.20 -0.19 0.00 0.00 0.00 173.10 171.70 3i4k s TYR 50 N -1.28 1.75 0.00 1.90 2.02 -1.26 -1.00 117.35 119.48 3i4k s TYR 50 Ca 0.25 -0.37 -0.08 0.00 -0.37 0.00 0.00 57.07 56.49 3i4k s TYR 50 Cb -0.12 -1.04 0.00 0.00 -0.40 0.00 0.00 41.96 40.41 3i4k s TYR 50 CO 0.17 0.09 0.16 0.20 -1.57 0.00 0.00 175.55 174.61 3i4k s GLY 51 N -1.20 0.02 -0.14 0.71 0.00 -0.57 -3.76 107.32 102.38 3i4k s GLY 51 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 44.72 44.67 3i4k s GLY 51 CO 0.02 -0.25 -0.08 -0.54 0.00 0.00 0.00 173.10 172.25 3i4k s GLU 52 N -1.51 3.50 -0.68 2.90 2.02 -1.26 -0.47 118.70 123.20 3i4k s GLU 52 Ca -0.14 -0.58 -0.10 0.00 0.02 0.00 0.00 54.97 54.17 3i4k s GLU 52 Cb -0.07 -2.78 0.18 0.00 0.10 0.00 0.00 34.13 31.56 3i4k s GLU 52 CO 0.01 0.26 0.58 0.20 0.02 0.00 0.00 175.26 176.33 3i4k s GLY 53 N 0.28 2.46 0.04 -1.39 0.00 0.93 -4.13 107.32 105.50 3i4k s GLY 53 Ca -0.06 -3.09 0.03 0.00 0.00 0.00 0.00 44.72 41.60 3i4k s GLY 53 CO 0.04 1.18 -0.10 0.54 0.00 0.00 0.00 173.10 174.76 3i4k s VAL 54 N 0.45 0.76 0.11 1.40 0.11 -1.26 -1.92 120.40 120.05 3i4k s VAL 54 Ca 0.14 -0.95 0.05 0.00 -2.93 0.00 0.00 61.98 58.29 3i4k s VAL 54 Cb -0.18 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 3i4k s VAL 54 CO -0.05 -0.17 -0.12 0.68 -3.33 0.00 0.00 175.10 172.11 3i4k s VAL 55 N -1.01 1.12 -0.79 2.04 -7.23 -1.26 -4.86 120.40 108.41 3i4k s VAL 55 Ca -0.04 -1.68 -0.25 0.00 -1.81 0.00 0.00 61.98 58.20 3i4k s VAL 55 Cb -0.08 -1.44 -0.07 0.00 0.56 0.00 0.00 36.38 35.34 3i4k s VAL 55 CO 0.01 -0.49 2.12 -2.84 -0.31 0.00 0.00 175.10 173.59 3i4k s PRO 56 N -2.74 2.22 0.00 4.82 0.02 -1.21 -4.28 135.00 133.83 3i4k s PRO 56 Ca 0.07 0.23 0.00 0.00 0.02 0.00 0.00 61.00 61.32 3i4k s PRO 56 Cb -0.04 -4.84 0.00 0.00 0.02 0.00 0.00 34.50 29.64 3i4k s PRO 56 CO 0.01 -3.63 0.00 0.41 -0.33 0.00 0.00 177.00 173.47 3i4k n GLY 57 N 6.61 2.04 0.00 0.52 0.00 -1.26 -4.68 105.19 108.41 3i4k n GLY 57 Ca 0.39 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3i4k n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4k n GLY 58 N 0.00 1.91 0.00 -0.02 0.00 -1.26 -4.64 105.19 101.18 3i4k n GLY 58 Ca 0.00 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.34 3i4k n GLY 58 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i4k n PRO 59 N 0.00 0.27 0.25 1.61 -0.04 -1.24 -2.85 135.00 133.00 3i4k n PRO 59 Ca 0.00 0.07 0.13 0.00 -0.04 0.00 0.00 63.50 63.66 3i4k n PRO 59 Cb 0.00 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 32.49 3i4k n PRO 59 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 3i4k h TRP 60 N 0.00 0.00 -0.01 0.54 5.08 -1.90 -1.28 115.95 118.38 3i4k h TRP 60 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 3i4k h TRP 60 Cb 0.03 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.20 3i4k h TRP 60 CO 0.00 0.11 -0.08 2.35 -1.28 0.00 0.00 178.44 179.54 3i4k h TRP 61 N 0.00 0.10 0.00 0.12 7.01 -1.80 -3.44 115.95 117.94 3i4k h TRP 61 Ca -0.00 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 60.95 3i4k h TRP 61 Cb 0.67 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.71 3i4k h TRP 61 CO 0.00 0.76 -0.16 0.41 -2.79 0.00 0.00 178.44 176.66 3i4k n GLY 62 N 0.82 0.84 1.24 2.65 0.00 -1.23 -5.03 105.19 104.47 3i4k n GLY 62 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3i4k n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4k n GLY 63 N 0.00 2.38 3.78 -0.02 0.00 -0.48 -5.04 105.19 105.81 3i4k n GLY 63 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3i4k n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i4k s GLU 64 N -0.65 3.18 0.18 1.61 2.02 -1.26 -4.91 118.70 118.86 3i4k s GLU 64 Ca 0.00 -0.32 0.04 0.00 0.02 0.00 0.00 54.97 54.71 3i4k s GLU 64 Cb 0.00 -2.96 -0.05 0.00 0.10 0.00 0.00 34.13 31.22 3i4k s GLU 64 CO 0.00 0.72 -0.05 -1.54 0.02 0.00 0.00 175.26 174.41 3i4k s SER 65 N -1.12 1.72 0.56 -0.19 1.04 -1.26 -3.61 113.70 110.83 3i4k s SER 65 Ca 0.16 -1.10 0.29 0.00 0.48 0.00 0.00 55.95 55.78 3i4k s SER 65 Cb -0.12 0.01 1.46 0.00 0.10 0.00 0.00 66.02 67.48 3i4k s SER 65 CO 0.05 -0.42 1.93 1.62 0.98 0.00 0.00 173.24 177.40 3i4k h VAL 66 N 2.67 0.54 0.05 5.02 3.04 -1.94 0.23 116.25 125.85 3i4k h VAL 66 Ca -0.37 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 65.11 3i4k h VAL 66 Cb 1.20 0.64 0.02 0.00 -2.01 0.00 0.00 31.29 31.14 3i4k h VAL 66 CO 0.64 0.00 -0.84 -0.33 -1.01 0.00 0.00 177.57 176.03 3i4k h GLU 67 N 0.00 0.48 -0.02 4.17 3.07 -1.97 -2.23 114.58 118.09 3i4k h GLU 67 Ca 0.29 -0.59 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 3i4k h GLU 67 Cb 1.28 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.38 3i4k h GLU 67 CO -0.00 1.22 0.00 2.41 -1.40 0.00 0.00 179.01 181.24 3i4k n THR 68 N -4.06 0.00 0.00 1.13 -1.04 0.79 -2.06 114.28 109.04 3i4k n THR 68 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3i4k n THR 68 Cb 0.80 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 69.16 3i4k n THR 68 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3i4k n LYS 70 N 0.22 0.00 -0.06 -2.82 4.81 -0.84 -2.07 118.16 117.39 3i4k n LYS 70 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i4k n LYS 70 Cb 0.00 0.00 0.28 0.00 0.02 0.00 0.00 35.03 35.33 3i4k n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i4k h ALA 71 N 0.00 1.39 0.17 3.14 0.00 -1.69 -1.54 119.26 120.72 3i4k h ALA 71 Ca 0.00 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.50 3i4k h ALA 71 Cb 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 17.79 17.63 3i4k h ALA 71 CO 0.00 0.45 -1.10 -0.07 0.00 0.00 0.00 179.25 178.53 3i4k h LEU 72 N 0.66 0.67 0.60 0.00 3.38 -1.70 -2.21 115.31 116.71 3i4k h LEU 72 Ca 0.15 -0.91 -0.03 0.00 0.09 0.00 0.00 57.88 57.19 3i4k h LEU 72 Cb 0.20 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.74 3i4k h LEU 72 CO -0.01 1.53 -0.29 0.58 0.09 0.00 0.00 178.44 180.34 3i4k h VAL 73 N -0.07 0.41 -0.39 1.22 2.07 -1.80 0.33 116.25 118.02 3i4k h VAL 73 Ca -0.18 -0.03 -0.14 0.00 0.82 0.00 0.00 66.70 67.16 3i4k h VAL 73 Cb 1.84 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 3i4k h VAL 73 CO 0.21 0.00 -0.32 0.44 0.02 0.00 0.00 177.57 177.92 3i4k h ASP 74 N -0.82 0.96 0.83 0.57 3.32 -1.44 0.39 116.42 120.23 3i4k h ASP 74 Ca -0.08 -0.45 -0.24 0.00 0.02 0.00 0.00 57.03 56.28 3i4k h ASP 74 Cb 0.62 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 3i4k h ASP 74 CO 0.13 1.20 -1.23 1.23 -1.72 0.00 0.00 179.24 178.86 3i4k h GLY 75 N 0.72 0.00 0.00 2.75 0.00 -1.42 -3.43 103.07 101.69 3i4k h GLY 75 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3i4k h GLY 75 CO 0.08 0.01 -0.66 -1.72 0.00 0.00 0.00 176.54 174.25 3i4k n TYR 76 N -3.25 0.00 -0.02 5.60 4.02 0.96 -4.87 117.16 119.60 3i4k n TYR 76 Ca -0.06 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.68 3i4k n TYR 76 Cb 0.98 0.08 -0.10 0.00 -0.02 0.00 0.00 39.34 40.28 3i4k n TYR 76 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3i4k h LEU 77 N 0.00 0.40 -0.10 7.72 3.38 -0.90 -3.38 115.31 122.42 3i4k h LEU 77 Ca 0.00 -0.70 0.04 0.00 0.09 0.00 0.00 57.88 57.30 3i4k h LEU 77 Cb 0.66 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 3i4k h LEU 77 CO 0.00 1.04 -0.44 0.00 0.09 0.00 0.00 178.44 179.14 3i4k h ALA 78 N 0.36 -0.65 0.00 1.53 0.00 -0.44 -2.33 119.26 117.74 3i4k h ALA 78 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i4k h ALA 78 Cb 1.07 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.66 3i4k h ALA 78 CO 0.08 -0.95 0.18 -0.35 0.00 0.00 0.00 179.25 178.20 3i4k n PRO 79 N -5.44 0.07 0.08 0.00 -0.04 -1.26 -1.14 135.00 127.27 3i4k n PRO 79 Ca -0.05 0.51 -0.11 0.00 -0.04 0.00 0.00 63.50 63.81 3i4k n PRO 79 Cb 0.37 -1.89 -0.04 0.00 -0.04 0.00 0.00 33.50 31.89 3i4k n PRO 79 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i4k h VAL 80 N 0.00 1.48 -0.01 0.52 2.07 -1.61 -3.34 116.25 115.36 3i4k h VAL 80 Ca 0.00 -2.68 -0.07 0.00 0.82 0.00 0.00 66.70 64.77 3i4k h VAL 80 Cb 0.36 2.54 0.01 0.00 -1.52 0.00 0.00 31.29 32.68 3i4k h VAL 80 CO 0.00 0.78 -0.28 -0.07 0.02 0.00 0.00 177.57 178.02 3i4k h LEU 81 N 0.13 0.27 -8.77 2.57 4.07 -1.25 -3.46 115.31 108.88 3i4k h LEU 81 Ca -0.07 -0.75 -0.84 0.00 0.08 0.00 0.00 57.88 56.30 3i4k h LEU 81 Cb 1.61 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 43.27 3i4k h LEU 81 CO 0.15 0.98 0.87 -0.38 -1.08 0.00 0.00 178.44 178.98 3i4k n ILE 82 N -4.48 0.03 -0.17 1.22 5.41 -1.21 -1.35 119.36 118.81 3i4k n ILE 82 Ca -0.10 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.65 3i4k n ILE 82 Cb 0.51 -0.57 0.00 0.00 -0.71 0.00 0.00 39.64 38.87 3i4k n ILE 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i4k n GLY 83 N 4.88 0.59 3.43 7.39 0.00 0.81 -5.00 105.19 117.28 3i4k n GLY 83 Ca 0.36 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 3i4k n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i4k s ARG 84 N -0.82 1.90 0.35 1.61 0.52 -0.45 -4.82 118.95 117.23 3i4k s ARG 84 Ca 0.00 -1.08 -0.28 0.00 -0.52 0.00 0.00 55.73 53.85 3i4k s ARG 84 Cb 0.00 -2.10 -0.10 0.00 0.52 0.00 0.00 34.95 33.27 3i4k s ARG 84 CO 0.00 0.52 1.30 0.00 0.02 0.00 0.00 175.30 177.14 3i4k s ALA 85 N -0.94 3.45 -1.52 2.13 0.00 -1.26 -0.70 121.76 122.91 3i4k s ALA 85 Ca 0.14 1.25 0.15 0.00 0.00 0.00 0.00 51.96 53.50 3i4k s ALA 85 Cb -0.10 -3.48 0.77 0.00 0.00 0.00 0.00 23.12 20.31 3i4k s ALA 85 CO 0.05 -0.67 1.39 1.55 0.00 0.00 0.00 175.76 178.08 3i4k n VAL 86 N 0.66 0.50 1.84 0.00 3.14 -1.06 -1.96 118.33 121.45 3i4k n VAL 86 Ca 0.01 0.12 0.07 0.00 -2.96 0.00 0.00 64.34 61.58 3i4k n VAL 86 Cb 0.42 -0.88 0.42 0.00 -1.06 0.00 0.00 33.84 32.74 3i4k n VAL 86 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3i4k n SER 87 N -1.24 0.00 -0.97 6.55 3.41 -1.26 -2.19 113.62 117.93 3i4k n SER 87 Ca 0.08 -1.39 0.08 0.00 -0.26 0.00 0.00 58.87 57.37 3i4k n SER 87 Cb 0.11 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.32 3i4k n SER 87 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i4k n GLU 88 N -0.74 2.94 -0.32 4.33 1.02 -0.83 -4.79 120.64 122.25 3i4k n GLU 88 Ca 0.11 -2.88 0.28 0.00 -0.02 0.00 0.00 57.16 54.65 3i4k n GLU 88 Cb 0.05 -1.87 0.52 0.00 -0.02 0.00 0.00 31.44 30.12 3i4k n GLU 88 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3i4k h LEU 89 N 1.85 0.21 -0.02 -4.62 5.85 -1.67 0.18 115.31 117.09 3i4k h LEU 89 Ca 0.02 0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.89 3i4k h LEU 89 Cb 1.50 0.29 0.01 0.00 0.37 0.00 0.00 40.66 42.82 3i4k h LEU 89 CO 0.25 -0.39 -0.39 0.00 -0.34 0.00 0.00 178.44 177.58 3i4k h ALA 90 N 1.98 0.08 -0.30 1.25 0.00 -1.89 -3.26 119.26 117.11 3i4k h ALA 90 Ca 0.79 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3i4k h ALA 90 Cb 2.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 3i4k h ALA 90 CO -0.77 0.21 -0.06 0.78 0.00 0.00 0.00 179.25 179.41 3i4k h GLY 91 N -0.26 0.52 -1.71 0.00 0.00 -1.44 -2.69 103.07 97.50 3i4k h GLY 91 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3i4k h GLY 91 CO 0.08 0.30 0.00 1.39 0.00 0.00 0.00 176.54 178.31 3i4k n ILE 92 N -4.25 0.21 0.00 2.60 5.41 0.44 -1.69 119.36 122.08 3i4k n ILE 92 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 3i4k n ILE 92 Cb 0.27 -0.50 0.00 0.00 -0.71 0.00 0.00 39.64 38.70 3i4k n ILE 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i4k n ALA 94 N 0.71 0.00 0.21 -1.39 0.00 -1.02 -1.46 120.51 117.56 3i4k n ALA 94 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3i4k n ALA 94 Cb 0.13 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.03 3i4k n ALA 94 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3i4k h ASP 95 N 0.00 0.00 -0.74 0.00 3.32 -1.61 -2.87 116.42 114.51 3i4k h ASP 95 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3i4k h ASP 95 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3i4k h ASP 95 CO 0.00 0.29 0.31 -0.07 -1.72 0.00 0.00 179.24 178.05 3i4k h LEU 96 N 0.00 1.01 -1.91 1.55 3.38 -1.55 -2.01 115.31 115.79 3i4k h LEU 96 Ca -0.00 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3i4k h LEU 96 Cb 0.72 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3i4k h LEU 96 CO 0.04 0.90 0.41 -0.33 0.09 0.00 0.00 178.44 179.55 3i4k h GLU 97 N 1.07 0.00 0.00 1.13 4.39 -1.67 0.24 114.58 119.73 3i4k h GLU 97 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3i4k h GLU 97 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3i4k h GLU 97 CO -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.83 3i4k h ARG 98 N 0.00 0.00 0.00 2.33 3.08 -1.49 -3.33 114.38 114.97 3i4k h ARG 98 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3i4k h ARG 98 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 3i4k h ARG 98 CO -0.00 0.00 -0.66 1.33 -1.07 0.00 0.00 179.97 179.57 3i4k n VAL 99 N -2.65 0.00 -3.67 2.04 0.24 0.71 -5.00 118.33 110.00 3i4k n VAL 99 Ca 0.04 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.34 61.98 3i4k n VAL 99 Cb 0.45 0.70 -0.13 0.00 -1.47 0.00 0.00 33.84 33.39 3i4k n VAL 99 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3i4k s VAL 100 N -1.76 -0.37 0.20 3.34 1.01 -0.49 -5.02 120.40 117.31 3i4k s VAL 100 Ca -0.00 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 3i4k s VAL 100 Cb 0.02 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.87 3i4k s VAL 100 CO 0.12 0.10 0.48 0.00 0.00 0.00 0.00 175.10 175.80 3i4k s ALA 101 N 2.20 3.66 0.00 5.51 0.00 -1.26 -4.18 121.76 127.69 3i4k s ALA 101 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3i4k s ALA 101 Cb -0.12 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.71 3i4k s ALA 101 CO -0.09 0.54 0.00 0.54 0.00 0.00 0.00 175.76 176.75 3i4k n ARG 102 N -0.14 0.00 -4.25 0.00 1.74 -1.26 -4.84 116.66 107.91 3i4k n ARG 102 Ca -0.01 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.71 3i4k n ARG 102 Cb 0.52 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.93 3i4k n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i4k n ALA 103 N 11.09 -1.37 -0.18 7.54 0.00 -1.26 -4.83 120.51 131.50 3i4k n ALA 103 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.39 3i4k n ALA 103 Cb 0.00 -3.01 0.31 0.00 0.00 0.00 0.00 19.45 16.74 3i4k n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4k h ARG 104 N -1.47 0.84 -0.76 0.00 2.47 -1.88 -1.84 114.38 111.74 3i4k h ARG 104 Ca -0.60 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.07 3i4k h ARG 104 Cb 1.38 -0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 29.48 3i4k h ARG 104 CO 0.78 0.55 0.49 1.88 0.56 0.00 0.00 179.97 184.23 3i4k h TYR 105 N 0.86 0.97 0.02 3.04 0.05 -1.77 -0.29 116.97 119.86 3i4k h TYR 105 Ca 0.27 0.01 -0.26 0.00 0.05 0.00 0.00 58.73 58.81 3i4k h TYR 105 Cb 0.02 -0.33 0.02 0.00 1.01 0.00 0.00 36.73 37.45 3i4k h TYR 105 CO -0.00 0.62 -1.04 0.00 -1.05 0.00 0.00 178.16 176.69 3i4k h ALA 106 N 1.50 0.19 0.00 3.88 0.00 -1.74 -3.20 119.26 119.89 3i4k h ALA 106 Ca 0.28 -0.72 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 3i4k h ALA 106 Cb -0.09 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3i4k h ALA 106 CO -0.06 0.74 -0.37 0.87 0.00 0.00 0.00 179.25 180.44 3i4k h LYS 107 N 0.32 0.00 -0.17 0.00 1.57 -0.98 -2.88 116.57 114.43 3i4k h LYS 107 Ca -0.12 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 3i4k h LYS 107 Cb 1.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.99 3i4k h LYS 107 CO 0.20 0.37 -0.11 0.00 -0.57 0.00 0.00 179.45 179.33 3i4k h ALA 108 N 1.63 1.51 -0.23 3.86 0.00 -1.05 -1.89 119.26 123.10 3i4k h ALA 108 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3i4k h ALA 108 Cb 0.68 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3i4k h ALA 108 CO 0.05 0.35 0.07 0.00 0.00 0.00 0.00 179.25 179.72 3i4k h ALA 109 N 1.65 0.30 -0.11 0.00 0.00 -1.57 -1.71 119.26 117.81 3i4k h ALA 109 Ca 0.05 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3i4k h ALA 109 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3i4k h ALA 109 CO 0.02 -0.08 0.04 0.28 0.00 0.00 0.00 179.25 179.51 3i4k h VAL 110 N 0.20 0.99 -0.11 0.00 2.07 -1.53 -1.18 116.25 116.68 3i4k h VAL 110 Ca 0.07 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.59 3i4k h VAL 110 Cb 0.23 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3i4k h VAL 110 CO -0.00 0.02 -0.12 -0.78 0.02 0.00 0.00 177.57 176.70 3i4k h ASP 111 N 0.10 -0.38 0.22 0.57 1.82 -1.24 -1.66 116.42 115.85 3i4k h ASP 111 Ca 0.04 0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 56.73 3i4k h ASP 111 Cb 0.01 0.19 -0.00 0.00 0.68 0.00 0.00 39.33 40.21 3i4k h ASP 111 CO -0.04 -0.16 -0.14 0.58 -1.61 0.00 0.00 179.24 177.86 3i4k h VAL 112 N -0.15 0.88 0.00 2.25 2.07 -1.19 -1.94 116.25 118.17 3i4k h VAL 112 Ca 0.08 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3i4k h VAL 112 Cb 0.27 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3i4k h VAL 112 CO -0.21 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.52 3i4k n ALA 113 N -2.41 1.83 0.00 1.67 0.00 -0.46 -2.04 120.51 119.11 3i4k n ALA 113 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i4k n ALA 113 Cb 0.22 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3i4k n ALA 113 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i4k n HIS 115 N 0.16 0.00 0.07 0.00 -0.00 -0.73 -1.25 115.22 113.47 3i4k n HIS 115 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 3i4k n HIS 115 Cb 0.12 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.03 3i4k n HIS 115 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.34 176.56 3i4k h ASP 116 N 0.00 -0.11 0.04 0.41 3.58 -1.67 0.20 116.42 118.86 3i4k h ASP 116 Ca 0.00 -0.16 0.01 0.00 0.42 0.00 0.00 57.03 57.30 3i4k h ASP 116 Cb 0.00 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 3i4k h ASP 116 CO 0.00 0.10 -0.10 0.00 -2.88 0.00 0.00 179.24 176.36 3i4k h ALA 117 N 0.56 -0.14 -0.43 -0.78 0.00 -1.43 -0.73 119.26 116.31 3i4k h ALA 117 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3i4k h ALA 117 Cb 0.27 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3i4k h ALA 117 CO 0.02 -0.60 0.20 2.35 0.00 0.00 0.00 179.25 181.22 3i4k h TRP 118 N -0.19 0.64 -0.53 0.00 7.01 -1.80 0.22 115.95 121.29 3i4k h TRP 118 Ca 0.02 -0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.01 3i4k h TRP 118 Cb 0.21 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 3i4k h TRP 118 CO -0.14 0.53 0.33 0.00 -2.79 0.00 0.00 178.44 176.37 3i4k h ALA 119 N 1.04 0.68 -0.34 2.65 0.00 -0.42 -1.03 119.26 121.85 3i4k h ALA 119 Ca 0.15 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3i4k h ALA 119 Cb 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3i4k h ALA 119 CO -0.02 0.05 -0.12 0.00 0.00 0.00 0.00 179.25 179.17 3i4k h ARG 120 N 0.66 0.68 -0.65 0.00 3.08 -0.89 0.50 114.38 117.75 3i4k h ARG 120 Ca 0.21 -0.28 0.11 0.00 0.07 0.00 0.00 59.98 60.10 3i4k h ARG 120 Cb -0.00 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 3i4k h ARG 120 CO -0.08 0.86 0.43 0.77 -1.07 0.00 0.00 179.97 180.88 3i4k h SER 121 N 0.45 0.38 0.06 7.04 0.02 -0.13 0.34 113.55 121.71 3i4k h SER 121 Ca 0.08 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3i4k h SER 121 Cb 0.64 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3i4k h SER 121 CO 0.04 0.22 -0.27 0.18 -1.14 0.00 0.00 176.83 175.86 3i4k n LEU 122 N -4.47 1.81 -2.66 5.07 4.77 -0.43 -4.98 117.00 116.12 3i4k n LEU 122 Ca 0.11 -0.61 -0.16 0.00 -0.03 0.00 0.00 56.01 55.32 3i4k n LEU 122 Cb 0.42 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.52 3i4k n LEU 122 CO 0.34 0.32 0.17 -3.20 -1.33 0.00 0.00 177.39 173.69 3i4k n ASN 123 N 0.03 -4.85 -4.13 -1.43 5.15 0.11 -5.04 115.26 105.10 3i4k n ASN 123 Ca 0.12 -0.38 -0.11 0.00 -0.60 0.00 0.00 54.58 53.61 3i4k n ASN 123 Cb 0.44 -3.66 -0.11 0.00 -0.53 0.00 0.00 39.78 35.92 3i4k n ASN 123 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3i4k s VAL 124 N -3.22 0.63 0.81 3.44 -7.23 0.02 -4.84 120.40 110.00 3i4k s VAL 124 Ca 0.38 -1.60 -0.11 0.00 -1.81 0.00 0.00 61.98 58.84 3i4k s VAL 124 Cb -0.17 -1.26 0.08 0.00 0.56 0.00 0.00 36.38 35.60 3i4k s VAL 124 CO 0.51 -0.68 1.12 -2.84 -0.31 0.00 0.00 175.10 172.89 3i4k s PRO 125 N -2.95 1.87 0.21 4.82 0.02 -1.25 -2.29 135.00 135.43 3i4k s PRO 125 Ca 0.03 1.35 -0.09 0.00 0.02 0.00 0.00 61.00 62.31 3i4k s PRO 125 Cb -0.01 -1.84 0.23 0.00 0.02 0.00 0.00 34.50 32.91 3i4k s PRO 125 CO -0.03 -1.96 1.84 0.28 -0.33 0.00 0.00 177.00 176.80 3i4k h VAL 126 N -1.26 1.05 -0.82 3.83 2.07 -1.60 -1.96 116.25 117.56 3i4k h VAL 126 Ca -0.44 -0.28 0.20 0.00 0.82 0.00 0.00 66.70 67.00 3i4k h VAL 126 Cb 1.25 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3i4k h VAL 126 CO 0.48 0.15 0.56 0.08 0.02 0.00 0.00 177.57 178.86 3i4k h ARG 127 N 0.83 0.27 0.00 1.57 0.11 -1.87 0.38 114.38 115.66 3i4k h ARG 127 Ca 0.30 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.37 3i4k h ARG 127 Cb 0.10 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.12 3i4k h ARG 127 CO -0.14 0.18 0.00 -0.25 0.10 0.00 0.00 179.97 179.85 3i4k n ASP 128 N -4.44 0.00 -0.07 0.08 8.00 -0.73 -0.01 116.55 119.37 3i4k n ASP 128 Ca 0.17 0.31 0.10 0.00 0.71 0.00 0.00 54.79 56.08 3i4k n ASP 128 Cb 0.70 -0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 41.32 3i4k n ASP 128 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3i4k n LEU 129 N -1.38 1.11 -1.74 0.64 4.77 0.13 -4.41 117.00 116.12 3i4k n LEU 129 Ca 0.03 -0.54 -0.19 0.00 -0.03 0.00 0.00 56.01 55.29 3i4k n LEU 129 Cb 0.08 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.26 3i4k n LEU 129 CO 0.07 0.26 0.48 0.18 -1.33 0.00 0.00 177.39 177.05 3i4k n LEU 130 N -1.26 4.93 0.00 2.23 4.77 0.98 -4.93 117.00 123.72 3i4k n LEU 130 Ca 0.05 -4.41 0.00 0.00 -0.03 0.00 0.00 56.01 51.62 3i4k n LEU 130 Cb 0.34 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3i4k n LEU 130 CO 0.39 1.78 0.00 0.61 -1.33 0.00 0.00 177.39 178.84 3i4k n GLY 131 N -0.87 2.78 0.00 -0.72 0.00 -1.19 -4.77 105.19 100.43 3i4k n GLY 131 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 3i4k n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4k n GLY 132 N -1.86 -0.71 3.41 -0.02 0.00 -0.78 -5.00 105.19 100.23 3i4k n GLY 132 Ca 0.00 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.52 3i4k n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i4k s THR 133 N 0.00 3.59 -0.11 2.61 -4.23 -1.26 -3.87 115.64 112.36 3i4k s THR 133 Ca 0.00 -0.45 0.20 0.00 -1.18 0.00 0.00 61.69 60.26 3i4k s THR 133 Cb 0.00 -2.58 -0.30 0.00 1.34 0.00 0.00 72.50 70.96 3i4k s THR 133 CO 0.00 0.47 0.29 0.52 -0.54 0.00 0.00 174.62 175.36 3i4k n VAL 134 N 4.01 0.64 -3.56 2.29 0.31 0.42 -4.97 118.33 117.46 3i4k n VAL 134 Ca -0.18 -0.66 -0.15 0.00 -0.01 0.00 0.00 64.34 63.34 3i4k n VAL 134 Cb 0.52 -0.21 -0.06 0.00 -0.91 0.00 0.00 33.84 33.18 3i4k n VAL 134 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i4k s ARG 135 N -3.04 1.03 -0.10 5.55 1.70 -0.98 -5.04 118.95 118.08 3i4k s ARG 135 Ca -0.09 -0.07 0.13 0.00 -0.47 0.00 0.00 55.73 55.23 3i4k s ARG 135 Cb 0.10 0.47 0.38 0.00 -0.57 0.00 0.00 34.95 35.33 3i4k s ARG 135 CO 0.87 -0.35 1.29 -0.40 -1.08 0.00 0.00 175.30 175.63 3i4k n ASP 136 N 0.61 3.20 -3.60 -2.89 5.68 -1.26 -4.63 116.55 113.67 3i4k n ASP 136 Ca -0.19 -2.58 -0.10 0.00 -0.50 0.00 0.00 54.79 51.42 3i4k n ASP 136 Cb 0.59 -0.37 -0.06 0.00 -1.14 0.00 0.00 41.12 40.14 3i4k n ASP 136 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 3i4k s LYS 137 N -2.04 0.56 0.06 0.11 -2.85 -1.26 -2.25 119.74 112.06 3i4k s LYS 137 Ca 0.30 0.29 0.03 0.00 -1.00 0.00 0.00 55.97 55.59 3i4k s LYS 137 Cb 0.23 0.27 -0.03 0.00 -2.06 0.00 0.00 37.83 36.23 3i4k s LYS 137 CO 0.10 -0.14 -0.10 0.14 0.10 0.00 0.00 175.35 175.45 3i4k s VAL 138 N -0.66 0.76 0.60 1.79 -7.23 -1.04 -4.97 120.40 109.66 3i4k s VAL 138 Ca -0.00 -1.26 -0.15 0.00 -1.81 0.00 0.00 61.98 58.76 3i4k s VAL 138 Cb -0.02 -0.89 -0.03 0.00 0.56 0.00 0.00 36.38 36.00 3i4k s VAL 138 CO -0.01 -0.39 1.06 -1.81 -0.31 0.00 0.00 175.10 173.64 3i4k s ASP 139 N -1.82 5.74 -0.02 4.85 1.01 -1.26 -2.17 116.67 122.99 3i4k s ASP 139 Ca -0.05 1.79 0.03 0.00 0.71 0.00 0.00 52.55 55.04 3i4k s ASP 139 Cb -0.08 -2.53 -0.00 0.00 1.01 0.00 0.00 42.92 41.32 3i4k s ASP 139 CO 0.01 -1.20 -0.11 -0.69 0.21 0.00 0.00 175.17 173.39 3i4k s VAL 140 N -2.52 0.90 -0.10 -1.27 1.01 -0.76 -1.40 120.40 116.24 3i4k s VAL 140 Ca 0.63 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 3i4k s VAL 140 Cb -0.16 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 3i4k s VAL 140 CO 0.39 0.27 0.05 0.42 0.00 0.00 0.00 175.10 176.23 3i4k s THR 141 N 0.07 4.72 -0.18 3.92 -4.23 0.23 -4.51 115.64 115.67 3i4k s THR 141 Ca -0.02 -0.09 -0.14 0.00 -1.18 0.00 0.00 61.69 60.27 3i4k s THR 141 Cb -0.08 -3.02 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 3i4k s THR 141 CO 0.00 0.60 0.29 0.86 -0.54 0.00 0.00 174.62 175.83 3i4k s TRP 142 N -0.85 3.43 -0.24 3.99 -0.11 -0.66 -4.55 118.94 119.95 3i4k s TRP 142 Ca 0.13 0.54 -0.09 0.00 1.22 0.00 0.00 56.10 57.90 3i4k s TRP 142 Cb -0.12 -2.36 -0.04 0.00 -1.50 0.00 0.00 33.47 29.46 3i4k s TRP 142 CO 0.03 0.18 0.11 0.00 -4.62 0.00 0.00 176.95 172.65 3i4k s ALA 143 N 0.68 3.36 -0.23 5.86 0.00 -1.26 -0.08 121.76 130.09 3i4k s ALA 143 Ca 0.15 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 3i4k s ALA 143 Cb -0.13 -2.18 -0.05 0.00 0.00 0.00 0.00 23.12 20.76 3i4k s ALA 143 CO 0.04 -0.33 0.16 -0.51 0.00 0.00 0.00 175.76 175.13 3i4k s LEU 144 N 1.32 4.13 1.21 0.00 1.02 0.06 -4.95 118.68 121.47 3i4k s LEU 144 Ca 0.06 0.14 -0.18 0.00 0.02 0.00 0.00 54.13 54.18 3i4k s LEU 144 Cb -0.15 -2.11 0.29 0.00 0.02 0.00 0.00 46.19 44.24 3i4k s LEU 144 CO 0.05 0.08 1.05 -0.83 0.02 0.00 0.00 176.35 176.72 3i4k s GLY 145 N 0.93 1.53 -0.17 -3.19 0.00 -1.26 -1.84 107.32 103.32 3i4k s GLY 145 Ca 0.08 -0.67 -0.34 0.00 0.00 0.00 0.00 44.72 43.78 3i4k s GLY 145 CO 0.03 0.16 1.96 1.55 0.00 0.00 0.00 173.10 176.81 3i4k n VAL 146 N -4.88 0.46 -3.91 1.40 3.14 -0.47 -4.63 118.33 109.46 3i4k n VAL 146 Ca 0.10 -0.16 -0.10 0.00 -2.96 0.00 0.00 64.34 61.21 3i4k n VAL 146 Cb 0.58 -1.84 -0.10 0.00 -1.06 0.00 0.00 33.84 31.42 3i4k n VAL 146 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3i4k s LEU 147 N 5.07 1.76 0.89 6.55 1.43 -1.26 -4.58 118.68 128.54 3i4k s LEU 147 Ca 0.97 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 53.63 3i4k s LEU 147 Cb -0.72 0.53 0.09 0.00 0.03 0.00 0.00 46.19 46.12 3i4k s LEU 147 CO 0.51 -0.37 0.93 -2.65 0.23 0.00 0.00 176.35 175.00 3i4k n PRO 148 N 1.38 -0.23 -0.02 1.29 -0.02 -1.26 -4.69 135.00 131.45 3i4k n PRO 148 Ca -0.23 -0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.22 3i4k n PRO 148 Cb 0.56 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 3i4k n PRO 148 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i4k h LEU 149 N -1.49 -0.44 -0.07 2.45 5.85 -1.99 -1.23 115.31 118.38 3i4k h LEU 149 Ca -0.44 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.36 3i4k h LEU 149 Cb 1.28 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.46 3i4k h LEU 149 CO 0.40 -0.10 -0.07 0.44 -0.34 0.00 0.00 178.44 178.77 3i4k h ASP 150 N -0.11 -0.22 -0.64 1.25 5.19 -1.98 -0.39 116.42 119.51 3i4k h ASP 150 Ca 0.01 0.05 0.13 0.00 -0.62 0.00 0.00 57.03 56.60 3i4k h ASP 150 Cb 0.15 0.11 -0.09 0.00 0.18 0.00 0.00 39.33 39.67 3i4k h ASP 150 CO -0.13 -0.10 0.13 0.58 -3.12 0.00 0.00 179.24 176.60 3i4k h VAL 151 N -0.09 0.59 0.00 -1.35 2.07 -1.92 0.71 116.25 116.26 3i4k h VAL 151 Ca 0.05 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3i4k h VAL 151 Cb 0.17 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3i4k h VAL 151 CO -0.13 0.05 -0.00 0.00 0.02 0.00 0.00 177.57 177.51 3i4k h ALA 152 N 1.53 -0.00 -0.45 1.67 0.00 -0.79 -1.50 119.26 119.72 3i4k h ALA 152 Ca 0.35 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.29 3i4k h ALA 152 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 3i4k h ALA 152 CO -0.45 -0.45 -0.02 0.28 0.00 0.00 0.00 179.25 178.61 3i4k h VAL 153 N -0.10 0.63 -0.08 0.00 2.07 -0.07 -1.91 116.25 116.79 3i4k h VAL 153 Ca -0.00 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3i4k h VAL 153 Cb 0.10 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3i4k h VAL 153 CO 0.00 0.02 -0.09 0.00 0.02 0.00 0.00 177.57 177.51 3i4k h ALA 154 N 1.41 -0.03 -0.94 1.67 0.00 -0.66 -1.01 119.26 119.70 3i4k h ALA 154 Ca 0.22 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.27 3i4k h ALA 154 Cb 0.33 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 3i4k h ALA 154 CO -0.39 -0.56 0.60 1.49 0.00 0.00 0.00 179.25 180.40 3i4k h GLU 155 N -0.12 0.93 0.03 0.00 4.81 -0.69 -0.98 114.58 118.55 3i4k h GLU 155 Ca 0.07 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3i4k h GLU 155 Cb 0.22 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3i4k h GLU 155 CO -0.16 0.62 -0.01 0.82 -0.73 0.00 0.00 179.01 179.55 3i4k h ILE 156 N 0.96 1.20 -0.94 2.32 2.04 -0.86 -1.09 117.51 121.15 3i4k h ILE 156 Ca 0.44 -0.72 0.21 0.00 1.00 0.00 0.00 64.86 65.79 3i4k h ILE 156 Cb 0.40 1.69 -0.07 0.00 -0.74 0.00 0.00 36.82 38.09 3i4k h ILE 156 CO -0.20 0.18 0.61 -0.33 0.00 0.00 0.00 178.15 178.42 3i4k h GLU 157 N -0.35 0.44 0.25 2.37 4.39 -0.46 -2.30 114.58 118.91 3i4k h GLU 157 Ca -0.00 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3i4k h GLU 157 Cb 0.33 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3i4k h GLU 157 CO 0.01 0.29 -0.12 1.49 -1.16 0.00 0.00 179.01 179.52 3i4k h GLU 158 N 0.45 -0.32 -0.99 2.33 4.81 -0.95 -3.27 114.58 116.64 3i4k h GLU 158 Ca 0.50 0.02 0.29 0.00 -0.13 0.00 0.00 59.36 60.04 3i4k h GLU 158 Cb 1.18 0.07 -0.14 0.00 0.63 0.00 0.00 28.75 30.50 3i4k h GLU 158 CO -0.22 -0.05 0.54 0.00 -0.73 0.00 0.00 179.01 178.56 3i4k h ARG 159 N -1.01 0.39 0.30 1.92 2.47 -0.81 -0.22 114.38 117.40 3i4k h ARG 159 Ca -0.03 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3i4k h ARG 159 Cb 0.42 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.62 3i4k h ARG 159 CO 0.06 0.26 -0.38 0.82 0.56 0.00 0.00 179.97 181.28 3i4k h ILE 160 N 0.40 0.22 -0.21 2.04 2.04 -1.52 0.40 117.51 120.87 3i4k h ILE 160 Ca 0.69 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.53 3i4k h ILE 160 Cb 1.47 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3i4k h ILE 160 CO -0.57 0.00 0.05 -0.33 0.00 0.00 0.00 178.15 177.31 3i4k h GLU 161 N -0.73 0.33 -0.02 2.37 4.39 -1.16 0.79 114.58 120.55 3i4k h GLU 161 Ca -0.01 -0.08 -0.21 0.00 0.34 0.00 0.00 59.36 59.40 3i4k h GLU 161 Cb 0.69 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 3i4k h GLU 161 CO -0.12 0.45 -0.89 1.49 -1.16 0.00 0.00 179.01 178.79 3i4k h GLU 162 N 0.15 0.38 0.00 2.33 4.81 -1.10 -3.40 114.58 117.75 3i4k h GLU 162 Ca 0.07 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3i4k h GLU 162 Cb 0.27 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3i4k h GLU 162 CO 0.00 1.06 -0.80 1.19 -0.73 0.00 0.00 179.01 179.73 3i4k n PHE 163 N -3.75 0.00 -2.16 0.92 3.72 0.12 -4.92 117.46 111.39 3i4k n PHE 163 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3i4k n PHE 163 Cb 0.80 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.34 3i4k n PHE 163 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i4k n GLY 164 N 2.12 0.68 3.70 1.37 0.00 0.27 -0.56 105.19 112.78 3i4k n GLY 164 Ca 0.00 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 3i4k n GLY 164 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i4k s ASN 165 N -2.96 6.93 0.00 1.61 -0.87 -1.25 -0.67 114.94 117.72 3i4k s ASN 165 Ca 0.00 2.10 0.25 0.00 -1.57 0.00 0.00 52.86 53.64 3i4k s ASN 165 Cb 0.00 -2.57 0.54 0.00 -0.02 0.00 0.00 41.25 39.20 3i4k s ASN 165 CO 0.00 -0.63 1.44 0.54 -2.57 0.00 0.00 177.10 175.88 3i4k n ARG 166 N 4.69 0.14 -4.00 -0.60 1.74 -1.26 -4.69 116.66 112.67 3i4k n ARG 166 Ca 0.11 -0.08 -0.12 0.00 -0.77 0.00 0.00 57.85 56.99 3i4k n ARG 166 Cb 0.44 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.26 3i4k n ARG 166 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3i4k s SER 167 N -2.91 0.38 -0.02 0.55 1.04 -1.26 -1.62 113.70 109.86 3i4k s SER 167 Ca 0.13 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.30 3i4k s SER 167 Cb 0.18 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.32 3i4k s SER 167 CO 0.67 -0.12 -0.08 -0.36 0.98 0.00 0.00 173.24 174.33 3i4k s PHE 168 N -0.75 0.83 -0.22 5.02 0.08 -0.30 -1.65 117.98 120.99 3i4k s PHE 168 Ca -0.06 -0.19 -0.04 0.00 0.12 0.00 0.00 56.93 56.76 3i4k s PHE 168 Cb -0.05 -0.58 -0.01 0.00 -0.57 0.00 0.00 43.02 41.80 3i4k s PHE 168 CO -0.00 -0.07 -0.02 0.21 -0.10 0.00 0.00 175.22 175.23 3i4k s LYS 169 N 0.09 3.43 -0.34 0.44 2.20 0.89 -0.97 119.74 125.48 3i4k s LYS 169 Ca -0.01 -0.60 -0.13 0.00 -0.36 0.00 0.00 55.97 54.87 3i4k s LYS 169 Cb -0.07 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 33.18 3i4k s LYS 169 CO 0.00 -0.19 0.23 -0.51 -0.36 0.00 0.00 175.35 174.52 3i4k s LEU 170 N 1.49 4.50 0.67 5.43 1.43 0.24 -0.76 118.68 131.67 3i4k s LEU 170 Ca 0.06 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 52.59 3i4k s LEU 170 Cb -0.14 -2.13 -0.00 0.00 0.03 0.00 0.00 46.19 43.95 3i4k s LEU 170 CO -0.02 -0.23 1.07 -0.54 0.23 0.00 0.00 176.35 176.85 3i4k s LYS 171 N 1.71 2.95 0.00 1.70 1.02 -0.77 -2.20 119.74 124.16 3i4k s LYS 171 Ca 0.06 1.11 0.00 0.00 0.02 0.00 0.00 55.97 57.16 3i4k s LYS 171 Cb -0.17 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 3i4k s LYS 171 CO 0.10 -1.10 0.00 0.41 -0.92 0.00 0.00 175.35 173.84 3i4k n GLY 173 N -1.41 0.76 3.56 -3.33 0.00 -1.26 -3.86 105.19 99.65 3i4k n GLY 173 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 3i4k n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4k s ALA 174 N -2.20 3.38 0.00 4.61 0.00 -1.26 -4.62 121.76 121.68 3i4k s ALA 174 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.96 3i4k s ALA 174 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.93 3i4k s ALA 174 CO 0.00 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.85 3i4k n GLY 175 N 4.57 -1.25 3.71 0.00 0.00 -1.26 -4.78 105.19 106.19 3i4k n GLY 175 Ca -0.15 -1.13 -0.66 0.00 0.00 0.00 0.00 46.02 44.08 3i4k n GLY 175 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i4k n ASP 176 N -1.66 1.16 -0.36 1.61 2.03 -1.26 -4.84 116.55 113.24 3i4k n ASP 176 Ca 0.00 1.18 -0.02 0.00 0.52 0.00 0.00 54.79 56.46 3i4k n ASP 176 Cb 0.00 -0.91 0.12 0.00 -0.72 0.00 0.00 41.12 39.61 3i4k n ASP 176 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3i4k h PRO 177 N 4.93 1.29 -0.60 -0.67 0.11 -1.97 -1.83 132.00 133.26 3i4k h PRO 177 Ca -0.45 -0.09 0.04 0.00 0.11 0.00 0.00 66.00 65.61 3i4k h PRO 177 Cb 1.37 -0.28 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 3i4k h PRO 177 CO 0.93 0.87 0.34 0.00 -0.21 0.00 0.00 178.00 179.93 3i4k h ALA 178 N 1.37 0.79 -0.02 -0.75 0.00 -1.98 0.74 119.26 119.40 3i4k h ALA 178 Ca 0.35 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.12 3i4k h ALA 178 Cb -0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3i4k h ALA 178 CO -0.07 0.03 -0.68 0.93 0.00 0.00 0.00 179.25 179.46 3i4k h GLU 179 N 0.65 0.08 -0.63 0.00 5.08 -1.88 -2.24 114.58 115.64 3i4k h GLU 179 Ca 0.26 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 3i4k h GLU 179 Cb 0.12 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3i4k h GLU 179 CO -0.15 0.73 0.07 0.22 -1.00 0.00 0.00 179.01 178.89 3i4k h ASP 180 N 0.06 1.00 -0.37 1.42 1.82 -0.51 -0.55 116.42 119.29 3i4k h ASP 180 Ca -0.01 -0.25 -0.14 0.00 -0.39 0.00 0.00 57.03 56.24 3i4k h ASP 180 Cb 1.21 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.94 3i4k h ASP 180 CO 0.09 1.01 -0.32 0.74 -1.61 0.00 0.00 179.24 179.16 3i4k h THR 181 N 0.97 1.27 0.46 2.25 2.02 -0.71 -1.94 112.91 117.22 3i4k h THR 181 Ca 0.19 -1.49 -0.02 0.00 0.77 0.00 0.00 66.41 65.86 3i4k h THR 181 Cb 0.46 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 3i4k h THR 181 CO 0.02 0.50 -0.22 -0.09 0.37 0.00 0.00 175.52 176.10 3i4k h ARG 182 N 0.75 -0.59 -0.40 6.66 9.65 -1.13 0.46 114.38 129.79 3i4k h ARG 182 Ca 0.08 0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.04 3i4k h ARG 182 Cb 0.90 0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 29.54 3i4k h ARG 182 CO 0.08 -0.36 -0.47 -0.09 2.80 0.00 0.00 179.97 181.92 3i4k h ARG 183 N -0.67 -0.29 -0.47 0.20 2.43 -1.04 0.23 114.38 114.76 3i4k h ARG 183 Ca -0.06 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 3i4k h ARG 183 Cb 0.50 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 3i4k h ARG 183 CO 0.10 -0.19 0.04 0.28 -1.51 0.00 0.00 179.97 178.69 3i4k h VAL 184 N -0.30 1.23 0.16 0.20 2.07 -1.30 -1.83 116.25 116.48 3i4k h VAL 184 Ca 0.07 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 3i4k h VAL 184 Cb 0.49 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3i4k h VAL 184 CO -0.53 0.32 -0.08 0.00 0.02 0.00 0.00 177.57 177.30 3i4k h ALA 185 N 1.33 -0.22 -0.56 1.67 0.00 0.88 0.19 119.26 122.55 3i4k h ALA 185 Ca 0.15 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3i4k h ALA 185 Cb 0.38 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3i4k h ALA 185 CO 0.01 -0.56 0.35 0.93 0.00 0.00 0.00 179.25 179.98 3i4k h GLU 186 N -0.34 0.68 -0.07 0.00 5.08 -0.51 -0.90 114.58 118.52 3i4k h GLU 186 Ca -0.02 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3i4k h GLU 186 Cb 0.27 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3i4k h GLU 186 CO 0.04 0.45 -0.12 1.25 -1.00 0.00 0.00 179.01 179.63 3i4k h LEU 187 N 0.70 0.10 -0.31 1.33 6.46 -1.17 -2.57 115.31 119.84 3i4k h LEU 187 Ca 0.22 -0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.92 3i4k h LEU 187 Cb -0.02 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 3i4k h LEU 187 CO -0.08 0.23 0.03 0.00 -0.62 0.00 0.00 178.44 178.00 3i4k h ALA 188 N 1.78 0.42 0.00 1.25 0.00 0.74 -1.97 119.26 121.47 3i4k h ALA 188 Ca 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3i4k h ALA 188 Cb 0.28 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i4k h ALA 188 CO 0.02 0.14 -0.13 0.00 0.00 0.00 0.00 179.25 179.28 3i4k h ARG 189 N 0.34 0.00 0.21 0.00 3.08 -1.00 0.66 114.38 117.67 3i4k h ARG 189 Ca 0.09 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.86 3i4k h ARG 189 Cb 0.39 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.47 3i4k h ARG 189 CO 0.01 0.13 -1.26 0.93 -1.07 0.00 0.00 179.97 178.71 3i4k h GLU 190 N 0.00 0.43 0.00 0.04 5.08 -1.17 -3.42 114.58 115.55 3i4k h GLU 190 Ca -0.00 -0.74 -0.07 0.00 -1.00 0.00 0.00 59.36 57.54 3i4k h GLU 190 Cb 0.50 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3i4k h GLU 190 CO 0.02 1.36 -1.42 0.28 -1.00 0.00 0.00 179.01 178.24 3i4k n VAL 191 N -3.87 0.27 0.15 3.13 0.31 -0.77 -4.70 118.33 112.85 3i4k n VAL 191 Ca -0.17 -0.24 0.15 0.00 -0.01 0.00 0.00 64.34 64.07 3i4k n VAL 191 Cb 0.99 -0.32 0.47 0.00 -0.91 0.00 0.00 33.84 34.07 3i4k n VAL 191 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3i4k h GLY 192 N 1.38 0.00 0.89 2.92 0.00 0.19 -1.94 103.07 106.51 3i4k h GLY 192 Ca -0.11 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 3i4k h GLY 192 CO 0.01 0.00 -0.01 -0.55 0.00 0.00 0.00 176.54 175.99 3i4k h ASP 193 N 0.00 0.54 0.14 0.19 3.32 -1.84 -3.31 116.42 115.46 3i4k h ASP 193 Ca 0.16 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3i4k h ASP 193 Cb 1.70 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.11 3i4k h ASP 193 CO -0.00 0.73 -0.86 0.54 -1.72 0.00 0.00 179.24 177.92 3i4k n ARG 194 N -4.55 0.00 -4.07 3.56 1.74 -0.74 -4.98 116.66 107.62 3i4k n ARG 194 Ca -0.02 -0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.96 3i4k n ARG 194 Cb 0.27 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.10 3i4k n ARG 194 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3i4k s VAL 195 N -3.00 0.37 -0.21 1.55 -7.23 -1.12 -4.98 120.40 105.78 3i4k s VAL 195 Ca 0.09 -1.40 -0.29 0.00 -1.81 0.00 0.00 61.98 58.57 3i4k s VAL 195 Cb 0.16 -0.98 0.01 0.00 0.56 0.00 0.00 36.38 36.13 3i4k s VAL 195 CO 0.82 -0.68 1.03 -0.55 -0.31 0.00 0.00 175.10 175.41 3i4k s SER 196 N -2.20 7.11 -0.23 4.85 0.15 -0.64 -4.50 113.70 118.25 3i4k s SER 196 Ca -0.03 1.39 -0.07 0.00 0.70 0.00 0.00 55.95 57.94 3i4k s SER 196 Cb -0.02 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 3i4k s SER 196 CO -0.04 -0.63 0.07 -0.76 1.20 0.00 0.00 173.24 173.08 3i4k s LEU 197 N 3.01 3.55 0.34 3.45 1.43 -1.26 -1.14 118.68 128.06 3i4k s LEU 197 Ca 0.44 -0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.52 3i4k s LEU 197 Cb -0.15 -1.93 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 3i4k s LEU 197 CO 0.08 0.03 -0.02 -0.13 0.23 0.00 0.00 176.35 176.55 3i4k s ARG 198 N 1.20 2.01 0.23 1.70 3.00 -0.14 -0.93 118.95 126.02 3i4k s ARG 198 Ca 0.04 -1.80 0.01 0.00 0.00 0.00 0.00 55.73 53.98 3i4k s ARG 198 Cb -0.14 -1.87 -0.05 0.00 0.00 0.00 0.00 34.95 32.89 3i4k s ARG 198 CO 0.03 0.14 0.10 0.96 0.00 0.00 0.00 175.30 176.53 3i4k s ILE 199 N -2.54 0.40 -0.30 1.52 -5.25 -0.51 -0.59 121.20 113.92 3i4k s ILE 199 Ca 0.34 -2.00 -0.10 0.00 -0.99 0.00 0.00 60.65 57.91 3i4k s ILE 199 Cb 0.01 -2.54 0.14 0.00 2.95 0.00 0.00 42.46 43.02 3i4k s ILE 199 CO 0.19 -0.06 0.68 -0.62 -1.79 0.00 0.00 174.94 173.34 3i4k s ASP 200 N -3.25 -1.11 0.00 4.36 -1.08 -0.94 -1.27 116.67 113.38 3i4k s ASP 200 Ca 0.37 1.44 0.20 0.00 -0.52 0.00 0.00 52.55 54.03 3i4k s ASP 200 Cb 0.07 2.23 0.51 0.00 -1.46 0.00 0.00 42.92 44.28 3i4k s ASP 200 CO 0.12 -0.21 1.43 -0.38 0.52 0.00 0.00 175.17 176.65 3i4k n ILE 201 N 5.40 0.87 -3.84 4.11 5.41 -1.18 -4.34 119.36 125.79 3i4k n ILE 201 Ca -0.11 -0.94 -0.30 0.00 1.00 0.00 0.00 62.75 62.41 3i4k n ILE 201 Cb 0.50 0.62 -0.02 0.00 -0.71 0.00 0.00 39.64 40.03 3i4k n ILE 201 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3i4k n ASN 202 N 1.35 -3.47 -2.49 4.38 3.02 -1.17 -1.52 115.26 115.35 3i4k n ASN 202 Ca 0.20 -0.72 -0.21 0.00 -0.03 0.00 0.00 54.58 53.82 3i4k n ASN 202 Cb 0.57 -2.86 -0.00 0.00 -0.61 0.00 0.00 39.78 36.88 3i4k n ASN 202 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i4k n ALA 203 N -4.01 -0.68 0.11 5.41 0.00 0.28 -4.90 120.51 116.73 3i4k n ALA 203 Ca 0.04 0.18 0.10 0.00 0.00 0.00 0.00 53.44 53.76 3i4k n ALA 203 Cb 0.51 -2.43 0.20 0.00 0.00 0.00 0.00 19.45 17.73 3i4k n ALA 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i4k n ARG 204 N -3.16 2.38 -4.43 0.00 5.12 -0.58 -3.94 116.66 112.05 3i4k n ARG 204 Ca -0.23 -2.16 -0.35 0.00 -1.93 0.00 0.00 57.85 53.19 3i4k n ARG 204 Cb 0.68 -1.43 -0.10 0.00 -1.16 0.00 0.00 32.46 30.44 3i4k n ARG 204 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3i4k s TRP 205 N -1.23 3.11 0.74 -1.55 0.52 -1.12 -5.05 118.94 114.35 3i4k s TRP 205 Ca 0.34 0.15 -0.10 0.00 0.02 0.00 0.00 56.10 56.51 3i4k s TRP 205 Cb 0.19 -1.77 0.05 0.00 -1.15 0.00 0.00 33.47 30.79 3i4k s TRP 205 CO 0.26 0.44 1.10 0.16 0.02 0.00 0.00 176.95 178.93 3i4k s ASP 206 N -0.88 4.95 0.21 2.95 1.47 -1.26 -4.12 116.67 119.99 3i4k s ASP 206 Ca 0.13 0.83 -0.11 0.00 1.18 0.00 0.00 52.55 54.59 3i4k s ASP 206 Cb -0.11 -1.49 0.30 0.00 -0.34 0.00 0.00 42.92 41.27 3i4k s ASP 206 CO 0.02 -1.60 1.67 -0.09 0.68 0.00 0.00 175.17 175.86 3i4k h ARG 207 N -0.77 0.15 -0.30 2.11 2.43 -1.99 -1.99 114.38 114.01 3i4k h ARG 207 Ca -0.45 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 3i4k h ARG 207 Cb 1.30 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 3i4k h ARG 207 CO 0.64 0.10 0.13 -0.09 -1.51 0.00 0.00 179.97 179.24 3i4k h ARG 208 N 0.15 0.44 -0.26 0.20 2.43 -1.99 -0.91 114.38 114.44 3i4k h ARG 208 Ca 0.32 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3i4k h ARG 208 Cb 0.51 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3i4k h ARG 208 CO -0.49 0.44 0.17 1.15 -1.51 0.00 0.00 179.97 179.72 3i4k h THR 209 N 0.34 1.08 -0.10 0.20 2.02 -1.87 -1.12 112.91 113.45 3i4k h THR 209 Ca 0.10 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3i4k h THR 209 Cb 0.15 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3i4k h THR 209 CO -0.01 0.08 0.06 0.00 0.37 0.00 0.00 175.52 176.02 3i4k h ALA 210 N 1.08 0.13 0.00 6.16 0.00 -1.26 -0.67 119.26 124.70 3i4k h ALA 210 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i4k h ALA 210 Cb -0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3i4k h ALA 210 CO -0.02 -0.38 -0.01 -0.07 0.00 0.00 0.00 179.25 178.78 3i4k h LEU 211 N 0.13 0.00 0.12 0.00 3.38 -0.97 -1.14 115.31 116.82 3i4k h LEU 211 Ca 0.04 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 3i4k h LEU 211 Cb -0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 3i4k h LEU 211 CO -0.01 0.01 -0.80 -0.74 0.09 0.00 0.00 178.44 176.99 3i4k h HIS 212 N 0.00 0.45 0.03 1.13 2.76 -0.61 -3.41 115.15 115.50 3i4k h HIS 212 Ca -0.00 -0.33 -0.33 0.00 -2.20 0.00 0.00 60.37 57.51 3i4k h HIS 212 Cb 0.01 -0.02 -0.05 0.00 1.55 0.00 0.00 27.41 28.91 3i4k h HIS 212 CO 0.00 1.31 -1.95 0.66 -1.30 0.00 0.00 177.93 176.65 3i4k n TYR 213 N -4.17 0.81 -0.26 5.26 4.01 -0.31 -4.37 117.16 118.13 3i4k n TYR 213 Ca -0.15 0.25 0.15 0.00 -0.16 0.00 0.00 57.90 57.99 3i4k n TYR 213 Cb 0.79 -1.13 0.43 0.00 -0.31 0.00 0.00 39.34 39.11 3i4k n TYR 213 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3i4k h LEU 214 N 0.02 0.56 -1.55 7.72 3.38 -1.42 0.20 115.31 124.21 3i4k h LEU 214 Ca -0.39 0.04 0.11 0.00 0.09 0.00 0.00 57.88 57.74 3i4k h LEU 214 Cb 2.05 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.70 3i4k h LEU 214 CO 0.06 0.26 0.46 -0.65 0.09 0.00 0.00 178.44 178.65 3i4k h PRO 215 N 0.57 0.48 -0.72 1.13 0.11 -1.78 0.55 132.00 132.34 3i4k h PRO 215 Ca 0.46 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.48 3i4k h PRO 215 Cb 0.90 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.87 3i4k h PRO 215 CO -0.20 0.32 0.22 0.82 -0.21 0.00 0.00 178.00 178.95 3i4k h ILE 216 N 0.49 1.26 0.00 4.15 2.04 -1.21 -2.00 117.51 122.24 3i4k h ILE 216 Ca 0.32 -0.90 -0.10 0.00 1.00 0.00 0.00 64.86 65.19 3i4k h ILE 216 Cb 0.59 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3i4k h ILE 216 CO -0.10 0.35 -0.48 -0.07 0.00 0.00 0.00 178.15 177.85 3i4k h LEU 217 N 1.06 0.00 0.68 1.44 3.38 -0.93 -1.97 115.31 118.97 3i4k h LEU 217 Ca 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3i4k h LEU 217 Cb 0.31 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.06 3i4k h LEU 217 CO -0.01 0.48 -0.33 0.00 0.09 0.00 0.00 178.44 178.67 3i4k h ALA 218 N 1.52 -0.91 -0.70 1.53 0.00 -0.55 -1.12 119.26 119.03 3i4k h ALA 218 Ca -0.00 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 54.90 3i4k h ALA 218 Cb 0.87 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3i4k h ALA 218 CO 0.06 -0.87 0.51 1.49 0.00 0.00 0.00 179.25 180.44 3i4k h GLU 219 N -1.19 0.00 0.00 0.00 4.81 -1.37 0.26 114.58 117.09 3i4k h GLU 219 Ca -0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3i4k h GLU 219 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3i4k h GLU 219 CO 0.15 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.43 3i4k h ALA 220 N 1.64 1.00 0.00 2.92 0.00 -1.13 -3.47 119.26 120.23 3i4k h ALA 220 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3i4k h ALA 220 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3i4k h ALA 220 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3i4k n GLY 221 N 0.58 1.02 3.69 0.00 0.00 0.93 -4.22 105.19 107.18 3i4k n GLY 221 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3i4k n GLY 221 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i4k s VAL 222 N -2.00 3.00 -0.59 1.61 1.01 -0.45 -4.65 120.40 118.33 3i4k s VAL 222 Ca 0.00 0.47 0.23 0.00 0.00 0.00 0.00 61.98 62.68 3i4k s VAL 222 Cb 0.00 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.98 3i4k s VAL 222 CO 0.00 0.00 1.04 -0.62 0.00 0.00 0.00 175.10 175.52 3i4k n GLU 223 N 5.49 0.31 -3.74 2.72 1.02 -0.11 -4.55 120.64 121.78 3i4k n GLU 223 Ca 0.16 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.17 3i4k n GLU 223 Cb 0.40 -1.61 -0.14 0.00 -0.02 0.00 0.00 31.44 30.07 3i4k n GLU 223 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3i4k s LEU 224 N -4.02 0.59 -0.61 -4.62 2.96 -1.23 -4.03 118.68 107.72 3i4k s LEU 224 Ca 0.03 0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 54.22 3i4k s LEU 224 Cb 0.14 0.47 0.16 0.00 0.50 0.00 0.00 46.19 47.46 3i4k s LEU 224 CO 0.80 -0.16 0.49 -0.36 -1.32 0.00 0.00 176.35 175.80 3i4k s PHE 225 N 1.25 3.49 -0.06 5.38 0.08 -0.11 -1.43 117.98 126.58 3i4k s PHE 225 Ca -0.09 -2.04 -0.29 0.00 0.12 0.00 0.00 56.93 54.64 3i4k s PHE 225 Cb -0.11 -3.55 -0.02 0.00 -0.57 0.00 0.00 43.02 38.77 3i4k s PHE 225 CO -0.07 -0.96 0.97 -2.00 -0.10 0.00 0.00 175.22 173.06 3i4k s GLU 226 N 0.76 4.48 0.00 0.44 2.12 -0.40 -4.33 118.70 121.77 3i4k s GLU 226 Ca 0.11 1.36 0.00 0.00 0.36 0.00 0.00 54.97 56.80 3i4k s GLU 226 Cb -0.21 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.68 3i4k s GLU 226 CO -0.03 -0.18 0.00 0.94 -0.54 0.00 0.00 175.26 175.45 3i4k n GLN 227 N 4.47 -0.12 0.24 4.30 -0.06 -1.26 -3.11 117.38 121.82 3i4k n GLN 227 Ca 0.07 -0.06 0.13 0.00 -2.00 0.00 0.00 57.00 55.14 3i4k n GLN 227 Cb 0.50 0.11 0.32 0.00 -4.06 0.00 0.00 30.24 27.11 3i4k n GLN 227 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3i4k h PRO 228 N 1.21 0.00 -5.29 3.69 0.13 -1.91 0.85 132.00 130.68 3i4k h PRO 228 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 3i4k h PRO 228 Cb 0.00 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 3i4k h PRO 228 CO 0.00 0.01 -0.57 0.95 -0.23 0.00 0.00 178.00 178.16 3i4k s THR 229 N -3.34 1.26 0.19 1.56 -4.23 -1.26 -2.79 115.64 107.02 3i4k s THR 229 Ca 0.05 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.25 3i4k s THR 229 Cb 0.06 -2.65 -0.16 0.00 1.34 0.00 0.00 72.50 71.10 3i4k s THR 229 CO 0.63 0.00 0.99 -2.65 -0.54 0.00 0.00 174.62 173.06 3i4k n PRO 230 N -0.90 0.86 -0.26 3.99 -0.02 -1.25 -4.25 135.00 133.17 3i4k n PRO 230 Ca -0.07 0.31 0.16 0.00 -2.02 0.00 0.00 63.50 61.88 3i4k n PRO 230 Cb 0.66 -1.68 0.44 0.00 -0.02 0.00 0.00 33.50 32.91 3i4k n PRO 230 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i4k h ALA 231 N 2.56 2.01 0.00 3.55 0.00 -1.88 -2.30 119.26 123.21 3i4k h ALA 231 Ca -0.40 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 3i4k h ALA 231 Cb 1.37 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3i4k h ALA 231 CO 0.65 -0.29 -0.56 0.38 0.00 0.00 0.00 179.25 179.43 3i4k h ASP 232 N 0.54 0.00 -0.76 0.00 2.03 -1.91 -3.40 116.42 112.92 3i4k h ASP 232 Ca 0.47 0.00 -0.71 0.00 -0.73 0.00 0.00 57.03 56.06 3i4k h ASP 232 Cb 0.97 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.38 3i4k h ASP 232 CO -0.21 0.56 2.45 -0.67 -1.03 0.00 0.00 179.24 180.35 3i4k n ASP 233 N -3.50 4.56 -0.03 4.15 -0.08 -0.87 -4.76 116.55 116.03 3i4k n ASP 233 Ca 0.00 -2.93 -0.02 0.00 -1.51 0.00 0.00 54.79 50.33 3i4k n ASP 233 Cb 0.65 -1.64 0.24 0.00 2.34 0.00 0.00 41.12 42.71 3i4k n ASP 233 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3i4k h LEU 234 N 10.30 0.56 -1.59 -2.67 3.38 -1.83 -2.50 115.31 120.97 3i4k h LEU 234 Ca 0.47 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 3i4k h LEU 234 Cb 0.73 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3i4k h LEU 234 CO 1.64 0.66 0.21 -0.33 0.09 0.00 0.00 178.44 180.71 3i4k h GLU 235 N 0.56 0.48 -0.32 1.13 5.08 -1.92 -1.88 114.58 117.71 3i4k h GLU 235 Ca 0.11 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 3i4k h GLU 235 Cb 0.41 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3i4k h GLU 235 CO 0.02 0.35 -0.41 1.15 -1.00 0.00 0.00 179.01 179.11 3i4k h THR 236 N 0.49 1.28 -0.40 1.13 2.02 -1.85 0.07 112.91 115.66 3i4k h THR 236 Ca 0.13 -1.59 0.02 0.00 0.77 0.00 0.00 66.41 65.74 3i4k h THR 236 Cb -0.00 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 3i4k h THR 236 CO -0.02 0.52 0.21 -0.07 0.37 0.00 0.00 175.52 176.53 3i4k h LEU 237 N 0.65 0.33 -0.40 2.58 3.38 -1.28 -0.07 115.31 120.50 3i4k h LEU 237 Ca 0.05 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i4k h LEU 237 Cb 0.98 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3i4k h LEU 237 CO 0.09 0.24 0.25 -0.09 0.09 0.00 0.00 178.44 179.01 3i4k h ARG 238 N 0.43 0.53 -0.73 1.13 9.65 -1.21 -3.03 114.38 121.15 3i4k h ARG 238 Ca 0.16 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.97 3i4k h ARG 238 Cb 0.05 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.48 3i4k h ARG 238 CO -0.10 0.38 0.31 1.49 2.80 0.00 0.00 179.97 184.86 3i4k h GLU 239 N 0.52 1.07 -0.75 0.20 4.57 -0.31 -1.93 114.58 117.95 3i4k h GLU 239 Ca 0.14 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 58.11 3i4k h GLU 239 Cb -0.02 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.35 3i4k h GLU 239 CO -0.03 0.85 0.29 -0.84 -1.18 0.00 0.00 179.01 178.10 3i4k h ILE 240 N 1.05 1.25 -0.42 2.32 3.07 -0.92 -1.68 117.51 122.19 3i4k h ILE 240 Ca 0.25 -0.81 -0.08 0.00 1.55 0.00 0.00 64.86 65.77 3i4k h ILE 240 Cb 0.16 0.36 -0.02 0.00 -0.27 0.00 0.00 36.82 37.06 3i4k h ILE 240 CO -0.03 0.33 -0.07 0.74 -1.05 0.00 0.00 178.15 178.07 3i4k h THR 241 N 1.10 1.25 -0.70 0.16 2.02 -1.40 0.11 112.91 115.44 3i4k h THR 241 Ca 0.25 -1.08 -0.05 0.00 0.77 0.00 0.00 66.41 66.30 3i4k h THR 241 Cb 0.22 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 3i4k h THR 241 CO -0.02 0.37 0.22 0.03 0.37 0.00 0.00 175.52 176.49 3i4k h ARG 242 N 0.67 1.07 0.00 6.66 3.08 -0.72 0.36 114.38 125.50 3i4k h ARG 242 Ca 0.12 -0.22 -0.18 0.00 0.07 0.00 0.00 59.98 59.77 3i4k h ARG 242 Cb 0.52 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3i4k h ARG 242 CO 0.03 0.91 -1.09 0.00 -1.07 0.00 0.00 179.97 178.76 3i4k h ARG 243 N 1.04 0.00 0.00 0.04 3.08 -0.99 -3.38 114.38 114.17 3i4k h ARG 243 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3i4k h ARG 243 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3i4k h ARG 243 CO -0.01 0.59 -1.01 0.25 -1.07 0.00 0.00 179.97 178.73 3i4k n THR 244 N -3.15 0.00 -1.35 2.04 -2.24 0.36 -5.00 114.28 104.94 3i4k n THR 244 Ca -0.05 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 3i4k n THR 244 Cb 0.88 0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 69.71 3i4k n THR 244 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i4k n ASN 245 N -1.57 -5.33 -4.57 3.42 3.02 0.13 -4.99 115.26 105.36 3i4k n ASN 245 Ca 0.00 0.30 -0.33 0.00 -0.03 0.00 0.00 54.58 54.53 3i4k n ASN 245 Cb 0.24 -3.90 -0.11 0.00 -0.61 0.00 0.00 39.78 35.40 3i4k n ASN 245 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i4k s VAL 246 N -2.16 3.56 0.59 2.41 0.11 -1.26 -5.06 120.40 118.60 3i4k s VAL 246 Ca 0.00 -0.70 -0.19 0.00 -2.93 0.00 0.00 61.98 58.16 3i4k s VAL 246 Cb 0.00 -2.50 -0.03 0.00 -1.53 0.00 0.00 36.38 32.32 3i4k s VAL 246 CO 0.00 0.48 1.27 -0.44 -3.33 0.00 0.00 175.10 173.08 3i4k s SER 247 N -1.16 5.05 0.00 3.54 0.01 -1.26 -4.42 113.70 115.47 3i4k s SER 247 Ca 0.15 2.56 0.00 0.00 1.31 0.00 0.00 55.95 59.97 3i4k s SER 247 Cb -0.11 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.51 3i4k s SER 247 CO 0.05 -1.70 0.00 0.52 0.41 0.00 0.00 173.24 172.52 3i4k n VAL 248 N -1.51 0.00 -3.79 3.43 0.31 -1.26 -0.94 118.33 114.57 3i4k n VAL 248 Ca 0.13 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.34 3i4k n VAL 248 Cb 0.48 -0.18 -0.12 0.00 -0.91 0.00 0.00 33.84 33.11 3i4k n VAL 248 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i4k s ALA 250 N -2.09 -0.52 0.00 3.52 0.00 0.21 -2.19 121.76 120.70 3i4k s ALA 250 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.59 3i4k s ALA 250 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.75 3i4k s ALA 250 CO 0.00 -0.11 0.00 -3.47 0.00 0.00 0.00 175.76 172.18 3i4k n ASP 251 N 3.11 0.00 0.32 0.00 -0.08 -1.26 -0.10 116.55 118.54 3i4k n ASP 251 Ca -0.14 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.35 3i4k n ASP 251 Cb 0.58 0.00 1.08 0.00 2.34 0.00 0.00 41.12 45.11 3i4k n ASP 251 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 3i4k h GLU 252 N 0.00 0.00 0.00 -0.67 9.09 -1.94 -1.30 114.58 119.75 3i4k h GLU 252 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i4k h GLU 252 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3i4k h GLU 252 CO 0.00 0.00 -0.02 0.77 0.05 0.00 0.00 179.01 179.81 3i4k h SER 253 N 0.00 0.00 -3.47 3.06 0.02 -1.89 -3.42 113.55 107.85 3i4k h SER 253 Ca 0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 3i4k h SER 253 Cb 0.14 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.28 3i4k h SER 253 CO 0.00 0.02 -0.77 -0.69 -1.14 0.00 0.00 176.83 174.25 3i4k s VAL 254 N -3.60 1.34 -0.08 2.27 1.01 -0.49 -4.78 120.40 116.07 3i4k s VAL 254 Ca 0.02 -1.35 -0.01 0.00 0.00 0.00 0.00 61.98 60.64 3i4k s VAL 254 Cb 0.08 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3i4k s VAL 254 CO 0.57 -0.34 -0.08 0.79 0.00 0.00 0.00 175.10 176.04 3i4k n TRP 255 N 4.70 0.00 -3.85 5.22 7.02 -1.26 -4.86 117.44 124.42 3i4k n TRP 255 Ca -0.07 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.20 3i4k n TRP 255 Cb 0.44 -0.29 -0.03 0.00 -2.42 0.00 0.00 31.31 29.00 3i4k n TRP 255 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 3i4k s THR 256 N -2.15 3.88 0.31 -0.99 -4.23 -1.26 -4.04 115.64 107.16 3i4k s THR 256 Ca -0.11 -1.32 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 3i4k s THR 256 Cb 0.03 -3.29 0.26 0.00 1.34 0.00 0.00 72.50 70.85 3i4k s THR 256 CO 0.16 -0.22 1.97 -0.65 -0.54 0.00 0.00 174.62 175.35 3i4k h PRO 257 N 1.26 1.03 -0.69 3.99 0.11 -1.93 -1.37 132.00 134.41 3i4k h PRO 257 Ca -0.46 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3i4k h PRO 257 Cb 1.25 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 3i4k h PRO 257 CO 0.58 0.68 0.26 0.00 -0.21 0.00 0.00 178.00 179.31 3i4k h ALA 258 N 1.51 1.16 -0.08 -0.75 0.00 -1.99 -0.79 119.26 118.32 3i4k h ALA 258 Ca 0.30 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3i4k h ALA 258 Cb -0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3i4k h ALA 258 CO -0.07 0.60 -0.52 0.93 0.00 0.00 0.00 179.25 180.19 3i4k h GLU 259 N 1.00 0.23 -0.37 0.00 5.08 -1.67 -0.25 114.58 118.59 3i4k h GLU 259 Ca 0.23 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 3i4k h GLU 259 Cb 0.21 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3i4k h GLU 259 CO -0.02 0.70 -0.23 0.00 -1.00 0.00 0.00 179.01 178.46 3i4k h ALA 260 N 1.28 0.90 -0.30 3.43 0.00 -0.68 -1.65 119.26 122.25 3i4k h ALA 260 Ca 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 3i4k h ALA 260 Cb 0.98 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3i4k h ALA 260 CO 0.08 0.62 -0.00 1.25 0.00 0.00 0.00 179.25 181.20 3i4k h LEU 261 N 0.64 0.52 -0.97 0.00 6.46 -0.80 -1.45 115.31 119.71 3i4k h LEU 261 Ca 0.09 -0.31 0.03 0.00 -0.12 0.00 0.00 57.88 57.57 3i4k h LEU 261 Cb 0.73 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.46 3i4k h LEU 261 CO 0.06 0.70 0.64 0.00 -0.62 0.00 0.00 178.44 179.22 3i4k h ALA 262 N 0.83 1.27 -0.57 1.25 0.00 -0.87 -0.51 119.26 120.66 3i4k h ALA 262 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3i4k h ALA 262 Cb 0.44 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3i4k h ALA 262 CO 0.02 0.55 0.20 0.28 0.00 0.00 0.00 179.25 180.30 3i4k h VAL 263 N 1.25 1.23 -0.46 0.00 2.07 -1.09 -1.38 116.25 117.87 3i4k h VAL 263 Ca 0.38 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3i4k h VAL 263 Cb -0.04 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3i4k h VAL 263 CO -0.11 0.29 0.25 0.58 0.02 0.00 0.00 177.57 178.60 3i4k h VAL 264 N 0.79 1.16 -0.17 2.57 2.07 -0.36 -1.09 116.25 121.22 3i4k h VAL 264 Ca 0.19 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 3i4k h VAL 264 Cb 0.24 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3i4k h VAL 264 CO -0.01 0.17 -0.23 0.11 0.02 0.00 0.00 177.57 177.63 3i4k h LYS 265 N 0.60 0.30 -0.00 1.57 1.57 -0.92 -2.69 116.57 116.99 3i4k h LYS 265 Ca 0.16 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3i4k h LYS 265 Cb 0.04 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3i4k h LYS 265 CO -0.03 0.52 -0.24 0.00 -0.57 0.00 0.00 179.45 179.13 3i4k n ALA 266 N -2.48 3.03 -3.92 3.86 0.00 -0.54 -4.92 120.51 115.54 3i4k n ALA 266 Ca -0.01 -0.34 -0.30 0.00 0.00 0.00 0.00 53.44 52.79 3i4k n ALA 266 Cb 0.35 -1.21 0.02 0.00 0.00 0.00 0.00 19.45 18.62 3i4k n ALA 266 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i4k n GLN 267 N -0.92 -5.46 0.10 0.00 6.02 -0.47 -4.85 117.38 111.80 3i4k n GLN 267 Ca 0.11 0.59 0.13 0.00 -0.01 0.00 0.00 57.00 57.83 3i4k n GLN 267 Cb 0.32 -5.47 0.43 0.00 1.02 0.00 0.00 30.24 26.54 3i4k n GLN 267 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i4k n ALA 268 N -4.67 2.27 -3.64 -1.58 0.00 -0.87 -4.59 120.51 107.44 3i4k n ALA 268 Ca 0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3i4k n ALA 268 Cb 0.53 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 3i4k n ALA 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4k s ALA 269 N -3.09 -1.93 -0.27 0.00 0.00 -1.26 -3.82 121.76 111.39 3i4k s ALA 269 Ca 0.11 1.94 0.21 0.00 0.00 0.00 0.00 51.96 54.22 3i4k s ALA 269 Cb 0.13 -1.38 0.34 0.00 0.00 0.00 0.00 23.12 22.21 3i4k s ALA 269 CO 0.59 -0.27 1.59 -0.44 0.00 0.00 0.00 175.76 177.22 3i4k h ASP 270 N 4.55 0.00 -4.17 0.00 3.45 -1.79 -3.46 116.42 115.01 3i4k h ASP 270 Ca -0.28 0.00 -0.31 0.00 0.43 0.00 0.00 57.03 56.86 3i4k h ASP 270 Cb 1.17 0.00 -0.26 0.00 -0.56 0.00 0.00 39.33 39.68 3i4k h ASP 270 CO 0.10 0.20 -0.75 -0.69 -1.57 0.00 0.00 179.24 176.53 3i4k s VAL 271 N -3.18 0.46 -0.13 -1.35 1.01 -1.00 -1.97 120.40 114.23 3i4k s VAL 271 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3i4k s VAL 271 Cb 0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 3i4k s VAL 271 CO 0.69 -0.03 -0.15 -0.63 0.00 0.00 0.00 175.10 174.98 3i4k s ILE 272 N -0.51 2.84 -0.90 2.22 1.01 -0.29 -0.62 121.20 124.95 3i4k s ILE 272 Ca -0.02 -0.73 -0.25 0.00 0.00 0.00 0.00 60.65 59.66 3i4k s ILE 272 Cb -0.04 -2.19 0.04 0.00 0.01 0.00 0.00 42.46 40.28 3i4k s ILE 272 CO -0.00 0.52 1.38 0.00 0.00 0.00 0.00 174.94 176.84 3i4k s ALA 273 N 0.49 2.73 -0.36 9.38 0.00 0.86 -1.59 121.76 133.27 3i4k s ALA 273 Ca -0.10 -1.90 -0.24 0.00 0.00 0.00 0.00 51.96 49.72 3i4k s ALA 273 Cb -0.16 -4.41 0.01 0.00 0.00 0.00 0.00 23.12 18.56 3i4k s ALA 273 CO 0.05 -3.48 0.83 -1.17 0.00 0.00 0.00 175.76 171.99 3i4k s LEU 274 N 5.27 4.08 -0.14 0.00 2.96 -0.40 -4.80 118.68 125.66 3i4k s LEU 274 Ca 0.41 0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.80 3i4k s LEU 274 Cb -0.03 -3.11 0.01 0.00 0.50 0.00 0.00 46.19 43.56 3i4k s LEU 274 CO 0.00 -0.76 -0.19 -0.54 -1.32 0.00 0.00 176.35 173.54 3i4k s LYS 275 N 3.21 2.70 0.55 1.98 1.02 -1.26 -1.80 119.74 126.14 3i4k s LYS 275 Ca 0.34 -0.73 0.23 0.00 0.02 0.00 0.00 55.97 55.82 3i4k s LYS 275 Cb -0.13 -2.25 1.48 0.00 -0.52 0.00 0.00 37.83 36.41 3i4k s LYS 275 CO 0.17 -0.07 2.13 1.79 -0.92 0.00 0.00 175.35 178.45 3i4k h THR 276 N 5.90 0.75 0.05 2.17 1.35 -1.88 -2.32 112.91 118.92 3i4k h THR 276 Ca -0.34 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3i4k h THR 276 Cb 1.18 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3i4k h THR 276 CO 0.54 0.00 -0.02 0.71 -0.25 0.00 0.00 175.52 176.50 3i4k h THR 277 N 0.00 1.23 -1.00 6.82 1.35 -1.92 -1.67 112.91 117.72 3i4k h THR 277 Ca 0.07 -1.66 0.12 0.00 -0.55 0.00 0.00 66.41 64.39 3i4k h THR 277 Cb 0.30 2.22 -0.08 0.00 -1.73 0.00 0.00 68.15 68.85 3i4k h THR 277 CO -0.00 0.37 0.63 0.50 -0.25 0.00 0.00 175.52 176.78 3i4k h LYS 278 N -0.89 0.96 0.00 4.72 3.64 -1.80 -2.75 116.57 120.45 3i4k h LYS 278 Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3i4k h LYS 278 Cb 0.66 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3i4k h LYS 278 CO 0.01 0.64 0.00 0.72 -2.27 0.00 0.00 179.45 178.55 3i4k n HIS 279 N -4.61 0.00 -0.47 1.91 8.25 -0.90 -4.40 115.22 115.00 3i4k n HIS 279 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 3i4k n HIS 279 Cb 0.36 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.04 3i4k n HIS 279 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i4k n GLY 280 N 1.36 1.19 0.00 -1.41 0.00 -1.04 -4.70 105.19 100.59 3i4k n GLY 280 Ca 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3i4k n GLY 280 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4k n GLY 281 N -1.59 1.08 0.25 -0.02 0.00 -0.63 -3.75 105.19 100.53 3i4k n GLY 281 Ca 0.00 -2.31 -0.14 0.00 0.00 0.00 0.00 46.02 43.57 3i4k n GLY 281 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i4k h LEU 282 N 0.00 0.96 0.12 0.99 3.38 -1.88 -1.81 115.31 117.06 3i4k h LEU 282 Ca 0.00 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 3i4k h LEU 282 Cb 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3i4k h LEU 282 CO 0.00 1.28 -0.06 -0.07 0.09 0.00 0.00 178.44 179.68 3i4k h LEU 283 N 0.67 -0.14 -0.75 1.67 3.38 -1.96 -2.01 115.31 116.18 3i4k h LEU 283 Ca 0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3i4k h LEU 283 Cb 1.06 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 3i4k h LEU 283 CO 0.11 -0.09 0.46 -0.33 0.09 0.00 0.00 178.44 178.68 3i4k h GLU 284 N -0.17 1.01 -0.29 1.13 4.39 -1.83 -1.86 114.58 116.97 3i4k h GLU 284 Ca -0.02 -0.09 0.05 0.00 0.34 0.00 0.00 59.36 59.64 3i4k h GLU 284 Cb 0.13 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3i4k h GLU 284 CO 0.03 0.71 0.20 0.77 -1.16 0.00 0.00 179.01 179.55 3i4k h SER 285 N 1.02 0.16 -0.72 1.42 0.02 -1.10 0.76 113.55 115.11 3i4k h SER 285 Ca 0.27 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.15 3i4k h SER 285 Cb -0.05 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 3i4k h SER 285 CO -0.05 0.11 0.20 0.11 -1.14 0.00 0.00 176.83 176.06 3i4k h LYS 286 N 0.19 1.14 -0.62 3.45 1.79 -0.58 -2.16 116.57 119.78 3i4k h LYS 286 Ca 0.13 -0.26 -0.06 0.00 -2.18 0.00 0.00 60.65 58.28 3i4k h LYS 286 Cb 0.26 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.73 3i4k h LYS 286 CO -0.02 0.99 0.15 0.87 -1.08 0.00 0.00 179.45 180.36 3i4k h LYS 287 N 1.09 0.99 -0.14 3.15 1.57 -0.76 -1.36 116.57 121.11 3i4k h LYS 287 Ca 0.23 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3i4k h LYS 287 Cb 0.34 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3i4k h LYS 287 CO -0.00 0.90 0.03 0.82 -0.57 0.00 0.00 179.45 180.63 3i4k h ILE 288 N 0.91 0.94 -0.64 1.86 1.08 -1.12 -1.66 117.51 118.88 3i4k h ILE 288 Ca 0.19 -0.03 -0.03 0.00 -0.39 0.00 0.00 64.86 64.60 3i4k h ILE 288 Cb 0.35 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 3i4k h ILE 288 CO 0.00 0.02 0.27 0.00 -0.69 0.00 0.00 178.15 177.75 3i4k h ALA 289 N 1.10 1.26 0.26 1.87 0.00 -1.15 -0.47 119.26 122.13 3i4k h ALA 289 Ca 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3i4k h ALA 289 Cb 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3i4k h ALA 289 CO -0.08 0.55 -0.12 0.00 0.00 0.00 0.00 179.25 179.59 3i4k h ALA 290 N 1.38 -0.35 0.02 0.00 0.00 -0.83 0.02 119.26 119.50 3i4k h ALA 290 Ca 0.22 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3i4k h ALA 290 Cb 0.16 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3i4k h ALA 290 CO -0.02 -0.59 -0.06 0.82 0.00 0.00 0.00 179.25 179.40 3i4k h ILE 291 N -0.55 0.86 -0.52 0.00 2.04 -1.21 0.36 117.51 118.48 3i4k h ILE 291 Ca -0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.87 3i4k h ILE 291 Cb 0.41 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 3i4k h ILE 291 CO 0.06 0.00 0.25 0.00 0.00 0.00 0.00 178.15 178.46 3i4k h ALA 292 N 0.87 0.66 -0.69 1.87 0.00 -1.08 -2.05 119.26 118.84 3i4k h ALA 292 Ca 0.02 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3i4k h ALA 292 Cb 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3i4k h ALA 292 CO -0.05 -0.10 0.22 1.49 0.00 0.00 0.00 179.25 180.82 3i4k h GLU 293 N 0.49 1.05 -0.11 0.00 4.81 -0.65 0.25 114.58 120.43 3i4k h GLU 293 Ca 0.23 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3i4k h GLU 293 Cb 0.16 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3i4k h GLU 293 CO -0.17 0.89 -0.20 0.00 -0.73 0.00 0.00 179.01 178.80 3i4k h ALA 294 N 1.22 1.47 -0.15 2.92 0.00 -0.42 -2.16 119.26 122.14 3i4k h ALA 294 Ca 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i4k h ALA 294 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3i4k h ALA 294 CO -0.01 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.03 3i4k n GLY 295 N -0.75 0.30 2.27 0.00 0.00 -0.82 -4.92 105.19 101.27 3i4k n GLY 295 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3i4k n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4k n GLY 296 N 1.15 0.56 3.70 -0.02 0.00 -0.77 -5.01 105.19 104.81 3i4k n GLY 296 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3i4k n GLY 296 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i4k s LEU 297 N 0.00 4.26 0.38 0.99 1.43 0.79 -4.98 118.68 121.56 3i4k s LEU 297 Ca 0.00 1.04 -0.26 0.00 -1.03 0.00 0.00 54.13 53.88 3i4k s LEU 297 Cb 0.00 -2.98 -0.09 0.00 0.03 0.00 0.00 46.19 43.15 3i4k s LEU 297 CO 0.00 -0.16 1.17 0.00 0.23 0.00 0.00 176.35 177.59 3i4k s ALA 298 N 1.15 3.20 -0.09 4.21 0.00 -0.83 -3.88 121.76 125.52 3i4k s ALA 298 Ca 0.33 0.98 -0.01 0.00 0.00 0.00 0.00 51.96 53.27 3i4k s ALA 298 Cb -0.17 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 3i4k s ALA 298 CO 0.14 -0.50 -0.05 0.00 0.00 0.00 0.00 175.76 175.36 3i4k s HIS 300 N -0.62 2.72 -1.32 0.00 5.04 -0.62 -1.40 115.29 119.09 3i4k s HIS 300 Ca 0.10 -0.28 -0.17 0.00 -1.54 0.00 0.00 55.06 53.17 3i4k s HIS 300 Cb -0.12 -1.68 0.03 0.00 0.04 0.00 0.00 32.58 30.85 3i4k s HIS 300 CO 0.02 0.09 1.98 0.41 -2.34 0.00 0.00 174.74 174.90 3i4k n GLY 301 N 2.61 3.28 3.72 1.59 0.00 -0.27 -1.28 105.19 114.85 3i4k n GLY 301 Ca -0.17 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 3i4k n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4k s ALA 302 N 4.29 1.30 0.07 4.61 0.00 -0.75 -1.07 121.76 130.21 3i4k s ALA 302 Ca 0.52 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3i4k s ALA 302 Cb 0.09 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 3i4k s ALA 302 CO 0.01 -2.67 -0.09 -0.08 0.00 0.00 0.00 175.76 172.93 3i4k s THR 303 N -3.14 0.76 -0.33 0.00 -1.32 -1.26 -4.42 115.64 105.93 3i4k s THR 303 Ca 0.65 -1.42 0.08 0.00 -1.21 0.00 0.00 61.69 59.80 3i4k s THR 303 Cb -0.16 -1.08 0.58 0.00 -1.51 0.00 0.00 72.50 70.33 3i4k s THR 303 CO 0.55 -0.50 1.62 -1.20 -2.21 0.00 0.00 174.62 172.88 3i4k n SER 304 N 0.91 3.19 -3.51 8.08 7.64 -1.26 -4.90 113.62 123.77 3i4k n SER 304 Ca -0.19 -3.60 -0.20 0.00 1.01 0.00 0.00 58.87 55.89 3i4k n SER 304 Cb 0.57 -0.69 0.06 0.00 -1.01 0.00 0.00 64.21 63.13 3i4k n SER 304 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3i4k n LEU 305 N -0.97 -3.99 -4.88 -3.43 4.32 -1.26 -3.29 117.00 103.50 3i4k n LEU 305 Ca 0.40 -0.77 -0.30 0.00 -0.02 0.00 0.00 56.01 55.32 3i4k n LEU 305 Cb 1.23 -2.90 -0.00 0.00 -1.62 0.00 0.00 43.42 40.13 3i4k n LEU 305 CO 0.32 0.33 0.62 -1.61 -1.22 0.00 0.00 177.39 175.83 3i4k s GLU 306 N -5.39 3.65 0.00 3.23 8.01 -1.26 -4.89 118.70 122.05 3i4k s GLU 306 Ca 0.19 0.62 0.00 0.00 0.01 0.00 0.00 54.97 55.78 3i4k s GLU 306 Cb -0.04 -2.19 0.00 0.00 -4.31 0.00 0.00 34.13 27.59 3i4k s GLU 306 CO 0.78 -0.39 0.00 0.41 0.01 0.00 0.00 175.26 176.07 3i4k n GLY 307 N -2.33 -1.62 0.27 -1.39 0.00 -1.26 -4.01 105.19 94.86 3i4k n GLY 307 Ca 0.04 -1.55 0.03 0.00 0.00 0.00 0.00 46.02 44.54 3i4k n GLY 307 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i4k h PRO 308 N 0.00 0.40 -0.01 1.61 0.13 -1.96 0.16 132.00 132.33 3i4k h PRO 308 Ca 0.00 -0.06 -0.17 0.00 -0.87 0.00 0.00 66.00 64.90 3i4k h PRO 308 Cb 0.00 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.04 3i4k h PRO 308 CO 0.00 0.39 -0.79 0.82 -0.23 0.00 0.00 178.00 178.19 3i4k h ILE 309 N 0.40 1.50 0.13 -3.56 1.08 -1.96 -2.18 117.51 112.92 3i4k h ILE 309 Ca 0.09 -2.52 -0.33 0.00 -0.39 0.00 0.00 64.86 61.72 3i4k h ILE 309 Cb 0.18 2.37 -0.01 0.00 -3.07 0.00 0.00 36.82 36.30 3i4k h ILE 309 CO -0.00 0.73 -1.68 1.23 -0.69 0.00 0.00 178.15 177.74 3i4k h GLY 310 N 1.97 0.31 2.00 5.37 0.00 -1.84 -2.54 103.07 108.34 3i4k h GLY 310 Ca -0.02 -0.80 -0.02 0.00 0.00 0.00 0.00 47.33 46.48 3i4k h GLY 310 CO 0.11 0.70 -0.08 -0.84 0.00 0.00 0.00 176.54 176.43 3i4k h THR 311 N 0.07 0.28 0.11 4.70 2.02 -0.74 -1.53 112.91 117.82 3i4k h THR 311 Ca -0.30 -0.59 -0.33 0.00 0.77 0.00 0.00 66.41 65.96 3i4k h THR 311 Cb 2.04 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.90 3i4k h THR 311 CO 0.15 0.08 -1.73 0.00 0.37 0.00 0.00 175.52 174.39 3i4k h ALA 312 N 1.92 0.38 0.00 6.16 0.00 -1.45 -2.88 119.26 123.38 3i4k h ALA 312 Ca -0.00 -1.25 -0.03 0.00 0.00 0.00 0.00 54.91 53.63 3i4k h ALA 312 Cb 0.45 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3i4k h ALA 312 CO 0.01 1.24 -0.15 0.00 0.00 0.00 0.00 179.25 180.35 3i4k h ALA 313 N 0.39 1.70 0.00 0.00 0.00 -0.99 -1.14 119.26 119.22 3i4k h ALA 313 Ca -0.32 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 3i4k h ALA 313 Cb 2.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 3i4k h ALA 313 CO 0.13 0.19 -0.93 0.77 0.00 0.00 0.00 179.25 179.41 3i4k h SER 314 N 0.00 0.00 0.24 0.00 0.02 -1.37 -3.11 113.55 109.33 3i4k h SER 314 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 3i4k h SER 314 Cb 0.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3i4k h SER 314 CO 0.02 0.81 -0.56 -0.07 -1.14 0.00 0.00 176.83 175.89 3i4k h LEU 315 N 0.00 0.38 -0.91 5.07 3.38 -1.04 -0.00 115.31 122.20 3i4k h LEU 315 Ca -0.04 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 3i4k h LEU 315 Cb 1.66 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 3i4k h LEU 315 CO 0.10 0.86 -0.04 1.56 0.09 0.00 0.00 178.44 181.01 3i4k h GLN 316 N 0.26 0.76 -0.19 1.13 1.08 -1.29 -1.26 115.11 115.60 3i4k h GLN 316 Ca 0.00 -0.22 -0.10 0.00 -1.45 0.00 0.00 58.65 56.89 3i4k h GLN 316 Cb 1.07 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.41 3i4k h GLN 316 CO 0.09 0.80 -0.26 0.35 -0.95 0.00 0.00 178.83 178.86 3i4k h PHE 317 N 0.70 0.63 0.00 2.96 3.04 -1.39 -2.89 116.94 120.00 3i4k h PHE 317 Ca 0.13 -0.21 -0.01 0.00 3.98 0.00 0.00 57.97 61.87 3i4k h PHE 317 Cb 0.49 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.88 3i4k h PHE 317 CO 0.02 0.91 -0.03 0.00 -2.02 0.00 0.00 178.31 177.20 3i4k h ALA 318 N 0.61 1.04 0.00 2.41 0.00 -0.81 -1.72 119.26 120.79 3i4k h ALA 318 Ca 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3i4k h ALA 318 Cb 0.84 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3i4k h ALA 318 CO 0.06 0.03 -0.62 0.00 0.00 0.00 0.00 179.25 178.72 3i4k h ALA 319 N 1.97 0.73 -0.01 0.00 0.00 -1.10 -3.33 119.26 117.52 3i4k h ALA 319 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3i4k h ALA 319 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3i4k h ALA 319 CO 0.00 0.27 -0.22 -1.13 0.00 0.00 0.00 179.25 178.17 3i4k n SER 320 N -2.97 1.70 -4.09 0.00 3.41 -0.93 0.16 113.62 110.90 3i4k n SER 320 Ca 0.00 -1.35 -0.33 0.00 -0.26 0.00 0.00 58.87 56.93 3i4k n SER 320 Cb 0.63 0.35 -0.14 0.00 -0.26 0.00 0.00 64.21 64.78 3i4k n SER 320 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3i4k s THR 321 N -1.62 2.57 0.51 6.66 2.01 -0.69 -4.74 115.64 120.34 3i4k s THR 321 Ca 0.13 -1.80 0.18 0.00 0.31 0.00 0.00 61.69 60.52 3i4k s THR 321 Cb 0.12 -2.63 0.26 0.00 0.01 0.00 0.00 72.50 70.26 3i4k s THR 321 CO 0.32 -0.28 2.12 0.50 -0.69 0.00 0.00 174.62 176.59 3i4k h LYS 322 N 7.83 0.00 -0.06 4.92 3.11 -1.90 -2.09 116.57 128.39 3i4k h LYS 322 Ca -0.15 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.71 3i4k h LYS 322 Cb 1.04 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.27 3i4k h LYS 322 CO 0.53 0.05 0.09 0.00 -2.81 0.00 0.00 179.45 177.31 3i4k h ALA 323 N 1.95 1.46 -1.35 5.00 0.00 -1.92 -3.33 119.26 121.07 3i4k h ALA 323 Ca -0.00 -0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3i4k h ALA 323 Cb 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 3i4k h ALA 323 CO 0.01 -0.12 1.20 0.42 0.00 0.00 0.00 179.25 180.76 3i4k s ILE 324 N -4.47 3.55 -0.24 0.00 -1.09 -0.79 -2.99 121.20 115.17 3i4k s ILE 324 Ca -0.05 0.18 0.02 0.00 -2.23 0.00 0.00 60.65 58.57 3i4k s ILE 324 Cb 0.14 -4.43 0.03 0.00 -1.58 0.00 0.00 42.46 36.63 3i4k s ILE 324 CO 0.49 -1.38 0.76 -1.54 -1.23 0.00 0.00 174.94 172.05 3i4k n SER 325 N 11.19 1.58 -2.31 3.58 3.41 -0.49 -4.69 113.62 125.88 3i4k n SER 325 Ca 0.16 -1.45 -0.20 0.00 -0.26 0.00 0.00 58.87 57.11 3i4k n SER 325 Cb 0.50 -0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.45 3i4k n SER 325 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i4k n TYR 326 N -0.05 2.59 -4.95 7.33 9.36 -0.79 -4.91 117.16 125.74 3i4k n TYR 326 Ca 0.02 -2.50 0.00 0.00 3.32 0.00 0.00 57.90 58.74 3i4k n TYR 326 Cb 0.15 -0.26 0.00 0.00 -0.63 0.00 0.00 39.34 38.60 3i4k n TYR 326 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3i4k n GLY 327 N -0.58 -0.15 3.30 2.98 0.00 -1.26 -4.69 105.19 104.79 3i4k n GLY 327 Ca 0.35 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 3i4k n GLY 327 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i4k s THR 328 N 0.00 0.00 -0.09 2.61 -4.23 -0.50 -1.11 115.64 112.32 3i4k s THR 328 Ca 0.00 -1.97 0.25 0.00 -1.18 0.00 0.00 61.69 58.79 3i4k s THR 328 Cb 0.00 -2.52 0.46 0.00 1.34 0.00 0.00 72.50 71.78 3i4k s THR 328 CO 0.00 0.00 1.15 -1.84 -0.54 0.00 0.00 174.62 173.39 3i4k n GLU 329 N -0.63 0.62 -1.55 3.99 0.28 -0.24 -0.60 120.64 122.52 3i4k n GLU 329 Ca 0.07 -2.54 -0.41 0.00 -0.16 0.00 0.00 57.16 54.12 3i4k n GLU 329 Cb 0.62 -0.58 -0.01 0.00 1.43 0.00 0.00 31.44 32.90 3i4k n GLU 329 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3i4k n LEU 330 N 0.10 7.55 -0.86 -1.84 4.77 -1.25 -4.44 117.00 121.04 3i4k n LEU 330 Ca 0.06 -4.20 0.11 0.00 -0.03 0.00 0.00 56.01 51.96 3i4k n LEU 330 Cb 1.02 -1.61 0.08 0.00 -2.33 0.00 0.00 43.42 40.59 3i4k n LEU 330 CO -0.00 1.46 0.57 2.22 -1.33 0.00 0.00 177.39 180.30 3i4k n PHE 331 N 5.13 0.00 0.00 -1.77 1.16 -1.26 -4.87 117.46 115.84 3i4k n PHE 331 Ca 0.62 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 56.20 3i4k n PHE 331 Cb 0.33 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.20 3i4k n PHE 331 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3i4k n GLY 332 N 1.32 0.00 0.26 4.97 0.00 -1.26 -0.37 105.19 110.11 3i4k n GLY 332 Ca 0.13 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.34 3i4k n GLY 332 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i4k n PRO 333 N -0.12 -0.05 0.06 1.61 -0.02 -1.26 0.39 135.00 135.62 3i4k n PRO 333 Ca 0.00 1.13 0.03 0.00 -2.02 0.00 0.00 63.50 62.64 3i4k n PRO 333 Cb 0.00 -1.92 0.17 0.00 -0.02 0.00 0.00 33.50 31.73 3i4k n PRO 333 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i4k n GLN 334 N -4.92 0.04 -0.05 -0.52 6.02 0.50 -0.51 117.38 117.95 3i4k n GLN 334 Ca 0.25 0.45 0.02 0.00 -0.01 0.00 0.00 57.00 57.72 3i4k n GLN 334 Cb 0.84 -1.80 -0.17 0.00 1.02 0.00 0.00 30.24 30.13 3i4k n GLN 334 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3i4k n LEU 335 N -1.66 0.00 -4.73 1.08 7.94 0.16 -4.93 117.00 114.87 3i4k n LEU 335 Ca -0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.48 3i4k n LEU 335 Cb 0.18 0.20 -0.04 0.00 0.53 0.00 0.00 43.42 44.29 3i4k n LEU 335 CO 0.03 0.20 0.84 -0.76 -1.11 0.00 0.00 177.39 176.58 3i4k s LEU 336 N -4.92 4.45 0.20 -1.96 1.43 0.33 -1.98 118.68 116.24 3i4k s LEU 336 Ca -0.09 2.10 0.21 0.00 -1.03 0.00 0.00 54.13 55.33 3i4k s LEU 336 Cb 0.11 -3.60 0.89 0.00 0.03 0.00 0.00 46.19 43.62 3i4k s LEU 336 CO 0.88 -0.32 1.64 1.17 0.23 0.00 0.00 176.35 179.95 3i4k n LYS 337 N 2.78 0.14 -3.68 1.70 4.81 0.56 -4.60 118.16 119.88 3i4k n LYS 337 Ca 0.05 0.39 -0.09 0.00 -0.87 0.00 0.00 58.31 57.79 3i4k n LYS 337 Cb 0.46 -1.78 -0.02 0.00 0.02 0.00 0.00 35.03 33.70 3i4k n LYS 337 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3i4k s ASP 338 N -3.93 -0.38 0.04 3.14 2.15 -1.26 -4.93 116.67 111.51 3i4k s ASP 338 Ca 0.04 -0.37 0.00 0.00 0.43 0.00 0.00 52.55 52.66 3i4k s ASP 338 Cb 0.09 0.67 -0.00 0.00 -0.30 0.00 0.00 42.92 43.38 3i4k s ASP 338 CO 0.35 -1.18 0.00 1.07 -0.17 0.00 0.00 175.17 175.24 3i4k n THR 339 N -0.42 0.00 -2.06 1.71 5.66 -1.26 -4.95 114.28 112.96 3i4k n THR 339 Ca -0.09 -0.20 -0.06 0.00 -3.05 0.00 0.00 64.05 60.64 3i4k n THR 339 Cb 0.62 0.04 -0.05 0.00 -1.55 0.00 0.00 70.33 69.38 3i4k n THR 339 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i4k n TYR 340 N -0.10 -0.11 -0.22 1.09 4.11 -1.26 -4.91 117.16 115.75 3i4k n TYR 340 Ca -0.02 -0.57 0.03 0.00 -0.00 0.00 0.00 57.90 57.34 3i4k n TYR 340 Cb 0.05 0.53 0.05 0.00 -0.00 0.00 0.00 39.34 39.97 3i4k n TYR 340 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.86 178.37 3i4k n ILE 341 N -0.06 1.18 0.00 -3.48 0.13 -1.26 -0.95 119.36 114.92 3i4k n ILE 341 Ca -0.26 -1.23 0.00 0.00 -1.10 0.00 0.00 62.75 60.17 3i4k n ILE 341 Cb 0.73 0.36 0.00 0.00 -0.84 0.00 0.00 39.64 39.89 3i4k n ILE 341 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 3i4k n VAL 342 N -0.50 0.00 -2.26 9.51 0.31 -1.22 -3.91 118.33 120.27 3i4k n VAL 342 Ca 0.05 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.12 3i4k n VAL 342 Cb 0.36 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.38 3i4k n VAL 342 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3i4k s GLN 343 N 0.00 1.86 0.01 5.55 1.11 -1.26 -5.09 119.66 121.83 3i4k s GLN 343 Ca 0.00 -0.48 0.08 0.00 0.01 0.00 0.00 55.36 54.98 3i4k s GLN 343 Cb 0.00 -2.17 -0.02 0.00 -1.01 0.00 0.00 33.01 29.81 3i4k s GLN 343 CO 0.00 -1.44 -0.25 -1.21 0.01 0.00 0.00 175.29 172.40 3i4k s GLU 344 N -5.31 2.02 0.31 2.91 2.02 -1.26 -5.01 118.70 114.38 3i4k s GLU 344 Ca 0.63 -0.99 -0.27 0.00 0.02 0.00 0.00 54.97 54.37 3i4k s GLU 344 Cb -0.09 -2.05 -0.10 0.00 0.10 0.00 0.00 34.13 32.00 3i4k s GLU 344 CO 0.46 0.55 0.95 -0.06 0.02 0.00 0.00 175.26 177.17 3i4k s PHE 345 N -0.71 3.74 -0.61 1.61 0.08 -1.26 -5.01 117.98 115.81 3i4k s PHE 345 Ca 0.11 1.81 -0.16 0.00 0.12 0.00 0.00 56.93 58.80 3i4k s PHE 345 Cb -0.10 -2.95 0.14 0.00 -0.57 0.00 0.00 43.02 39.55 3i4k s PHE 345 CO 0.01 0.22 0.60 -1.21 -0.10 0.00 0.00 175.22 174.73 3i4k s GLU 346 N -1.89 3.13 -0.25 0.44 2.02 -1.26 -5.03 118.70 115.86 3i4k s GLU 346 Ca 0.49 -1.80 -0.11 0.00 0.02 0.00 0.00 54.97 53.57 3i4k s GLU 346 Cb -0.20 -4.33 -0.05 0.00 0.10 0.00 0.00 34.13 29.64 3i4k s GLU 346 CO 0.26 -1.36 0.17 0.71 0.02 0.00 0.00 175.26 175.05 3i4k s TYR 347 N 1.51 3.30 -0.26 1.61 2.02 -1.26 -2.74 117.35 121.53 3i4k s TYR 347 Ca 0.08 0.22 -0.29 0.00 -0.37 0.00 0.00 57.07 56.70 3i4k s TYR 347 Cb -0.25 -2.29 0.18 0.00 -0.40 0.00 0.00 41.96 39.20 3i4k s TYR 347 CO 0.01 0.03 1.29 -1.59 -1.57 0.00 0.00 175.55 173.72 3i4k s LYS 348 N 1.17 0.16 -1.29 -0.62 -2.85 -0.86 -4.92 119.74 110.53 3i4k s LYS 348 Ca 0.08 0.04 -0.08 0.00 -1.00 0.00 0.00 55.97 55.00 3i4k s LYS 348 Cb -0.14 0.08 0.01 0.00 -2.06 0.00 0.00 37.83 35.72 3i4k s LYS 348 CO 0.06 -0.05 1.13 -0.25 0.10 0.00 0.00 175.35 176.33 3i4k n ASP 349 N 0.56 -6.09 -2.80 0.03 8.00 -0.17 -1.94 116.55 114.14 3i4k n ASP 349 Ca -0.02 -0.52 -0.22 0.00 0.71 0.00 0.00 54.79 54.75 3i4k n ASP 349 Cb 0.59 -4.82 0.02 0.00 -0.02 0.00 0.00 41.12 36.88 3i4k n ASP 349 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i4k n GLY 350 N -1.93 -0.51 0.00 0.44 0.00 0.28 -4.89 105.19 98.58 3i4k n GLY 350 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3i4k n GLY 350 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i4k n GLN 351 N -3.64 0.00 -3.61 1.61 6.02 -0.82 -1.84 117.38 115.10 3i4k n GLN 351 Ca -0.16 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.80 3i4k n GLN 351 Cb 0.64 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.84 3i4k n GLN 351 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3i4k s VAL 352 N -2.35 -0.17 0.43 5.09 0.11 -0.92 -2.03 120.40 120.55 3i4k s VAL 352 Ca 0.00 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.84 3i4k s VAL 352 Cb 0.00 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.75 3i4k s VAL 352 CO 0.00 0.00 0.97 0.00 -3.33 0.00 0.00 175.10 172.74 3i4k s ALA 353 N 1.75 3.01 0.10 1.54 0.00 -1.11 -2.48 121.76 124.57 3i4k s ALA 353 Ca -0.08 0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.04 3i4k s ALA 353 Cb -0.05 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 3i4k s ALA 353 CO -0.17 0.02 1.19 0.42 0.00 0.00 0.00 175.76 177.21 3i4k s ILE 354 N -2.07 3.91 0.09 0.00 1.09 -0.96 -4.68 121.20 118.58 3i4k s ILE 354 Ca 0.62 1.44 -0.31 0.00 -1.10 0.00 0.00 60.65 61.30 3i4k s ILE 354 Cb -0.12 -3.92 -0.09 0.00 -1.06 0.00 0.00 42.46 37.27 3i4k s ILE 354 CO 0.16 0.15 1.68 -2.84 -0.10 0.00 0.00 174.94 173.99 3i4k s PRO 355 N 0.65 4.19 0.41 2.79 0.02 -1.26 -4.97 135.00 136.82 3i4k s PRO 355 Ca 0.57 2.39 -0.03 0.00 0.02 0.00 0.00 61.00 63.95 3i4k s PRO 355 Cb -0.30 -3.54 -0.04 0.00 0.02 0.00 0.00 34.50 30.64 3i4k s PRO 355 CO 0.31 -0.74 0.67 -0.65 -0.33 0.00 0.00 177.00 176.26 3i4k s GLN 356 N 2.46 3.53 0.00 5.54 -1.52 -1.26 -4.60 119.66 123.81 3i4k s GLN 356 Ca 0.75 -0.04 0.00 0.00 -1.95 0.00 0.00 55.36 54.12 3i4k s GLN 356 Cb -0.42 -2.52 0.00 0.00 -0.22 0.00 0.00 33.01 29.86 3i4k s GLN 356 CO 0.33 -0.02 0.00 0.41 -0.25 0.00 0.00 175.29 175.76 3i4k n GLY 357 N -1.95 2.43 3.44 3.09 0.00 -1.26 -4.66 105.19 106.28 3i4k n GLY 357 Ca -0.02 -2.14 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 3i4k n GLY 357 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i4k s PRO 358 N -1.99 -1.73 1.06 1.61 0.04 -1.26 -3.89 135.00 128.84 3i4k s PRO 358 Ca 0.00 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.42 3i4k s PRO 358 Cb 0.00 -1.50 0.00 0.00 0.04 0.00 0.00 34.50 33.04 3i4k s PRO 358 CO 0.00 -4.14 0.00 0.41 0.04 0.00 0.00 177.00 173.31 3i4k n GLY 359 N 0.63 1.14 0.00 0.56 0.00 -0.97 0.76 105.19 107.31 3i4k n GLY 359 Ca 0.08 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3i4k n GLY 359 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i4k n LEU 360 N 0.00 0.00 -0.30 0.99 7.99 -1.26 -1.70 117.00 122.71 3i4k n LEU 360 Ca 0.00 0.41 -0.03 0.00 -0.01 0.00 0.00 56.01 56.39 3i4k n LEU 360 Cb 0.00 -0.41 -0.00 0.00 -0.11 0.00 0.00 43.42 42.89 3i4k n LEU 360 CO 0.00 -0.41 -0.03 0.61 -1.51 0.00 0.00 177.39 176.04 3i4k n GLY 361 N -1.41 0.30 3.60 -0.72 0.00 0.23 -4.78 105.19 102.41 3i4k n GLY 361 Ca 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 46.02 45.19 3i4k n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4k s VAL 362 N -2.13 -0.34 0.13 1.61 0.11 -1.26 -4.30 120.40 114.22 3i4k s VAL 362 Ca 0.00 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 3i4k s VAL 362 Cb 0.00 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.79 3i4k s VAL 362 CO 0.00 0.00 0.47 -1.81 -3.33 0.00 0.00 175.10 170.43 3i4k s ASP 363 N 2.03 6.69 0.24 3.54 1.11 -1.25 -5.04 116.67 123.98 3i4k s ASP 363 Ca -0.07 0.89 -0.24 0.00 0.18 0.00 0.00 52.55 53.30 3i4k s ASP 363 Cb -0.07 -2.21 -0.09 0.00 1.07 0.00 0.00 42.92 41.62 3i4k s ASP 363 CO -0.18 0.10 0.83 0.68 1.18 0.00 0.00 175.17 177.78 3i4k s VAL 364 N -1.51 4.34 0.58 -1.27 -7.23 -1.26 -3.46 120.40 110.59 3i4k s VAL 364 Ca 0.37 1.66 0.10 0.00 -1.81 0.00 0.00 61.98 62.30 3i4k s VAL 364 Cb -0.14 -4.04 0.09 0.00 0.56 0.00 0.00 36.38 32.85 3i4k s VAL 364 CO 0.19 0.31 0.79 -0.62 -0.31 0.00 0.00 175.10 175.47 3i4k s ASP 365 N -1.45 5.09 0.00 4.85 -1.08 -0.13 -4.83 116.67 119.13 3i4k s ASP 365 Ca 0.43 -0.84 0.00 0.00 -0.52 0.00 0.00 52.55 51.62 3i4k s ASP 365 Cb -0.20 0.29 0.00 0.00 -1.46 0.00 0.00 42.92 41.55 3i4k s ASP 365 CO 0.25 -1.35 0.00 0.47 0.52 0.00 0.00 175.17 175.06 3i4k n ASP 367 N -2.25 0.00 0.28 -0.34 8.00 -1.26 -1.90 116.55 119.08 3i4k n ASP 367 Ca 0.16 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.83 3i4k n ASP 367 Cb 0.62 0.00 0.76 0.00 -0.02 0.00 0.00 41.12 42.47 3i4k n ASP 367 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3i4k h LYS 368 N 0.00 0.00 0.55 -1.24 1.57 -1.91 -1.63 116.57 113.91 3i4k h LYS 368 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3i4k h LYS 368 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 3i4k h LYS 368 CO 0.00 0.02 -0.26 0.28 -0.57 0.00 0.00 179.45 178.92 3i4k h VAL 369 N 0.00 0.29 -0.59 0.50 2.07 -1.68 -1.97 116.25 114.88 3i4k h VAL 369 Ca -0.00 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 3i4k h VAL 369 Cb 0.44 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3i4k h VAL 369 CO 0.00 0.04 0.26 0.78 0.02 0.00 0.00 177.57 178.67 3i4k h ASN 370 N -1.03 0.76 -0.65 0.57 -0.26 -1.82 0.03 115.58 113.17 3i4k h ASN 370 Ca -0.08 -0.09 0.04 0.00 -0.56 0.00 0.00 56.30 55.62 3i4k h ASN 370 Cb 0.63 -0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 37.66 3i4k h ASN 370 CO 0.12 0.67 0.43 0.15 -1.06 0.00 0.00 177.43 177.74 3i4k h PHE 371 N 0.83 0.74 -0.02 1.19 3.57 -1.23 -2.42 116.94 119.60 3i4k h PHE 371 Ca 0.20 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3i4k h PHE 371 Cb 0.13 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.62 3i4k h PHE 371 CO 0.01 0.43 -0.10 0.66 -2.23 0.00 0.00 178.31 177.07 3i4k n TYR 372 N -4.46 0.00 -1.93 0.41 4.01 -0.75 -4.93 117.16 109.51 3i4k n TYR 372 Ca 0.08 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.39 3i4k n TYR 372 Cb 0.15 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 3i4k n TYR 372 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3i4k s THR 373 N -1.97 3.41 -0.97 -0.72 2.01 -0.06 -1.92 115.64 115.41 3i4k s THR 373 Ca 0.24 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.68 3i4k s THR 373 Cb 0.18 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 69.21 3i4k s THR 373 CO 0.34 -0.26 0.24 -1.14 -0.69 0.00 0.00 174.62 173.11