#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 3.85 -4.72 -2.67 4.32 -1.26 -1.60 117.00 114.91 3i4k n LEU 6 Ca 0.00 -1.93 -0.42 0.00 -0.02 0.00 0.00 56.01 53.64 3i4k n LEU 6 Cb 0.00 -0.48 -0.03 0.00 -1.62 0.00 0.00 43.42 41.29 3i4k n LEU 6 CO 0.00 0.87 1.20 -0.89 -1.22 0.00 0.00 177.39 177.35 3i4k s THR 7 N -1.27 2.66 -0.51 -5.08 2.01 -1.26 -0.98 115.64 111.22 3i4k s THR 7 Ca 0.46 0.49 -0.29 0.00 0.31 0.00 0.00 61.69 62.66 3i4k s THR 7 Cb 0.25 -3.31 0.02 0.00 0.01 0.00 0.00 72.50 69.48 3i4k s THR 7 CO 0.29 0.04 1.24 -0.63 -0.69 0.00 0.00 174.62 174.87 3i4k s ILE 8 N 0.97 4.04 0.01 1.82 1.09 0.15 0.19 121.20 129.48 3i4k s ILE 8 Ca 0.68 1.01 -0.13 0.00 -1.10 0.00 0.00 60.65 61.10 3i4k s ILE 8 Cb -0.43 -4.55 -0.34 0.00 -1.06 0.00 0.00 42.46 36.08 3i4k s ILE 8 CO 0.33 -1.09 0.92 1.56 -0.10 0.00 0.00 174.94 176.56 3i4k h GLN 9 N 9.81 0.48 -2.56 2.79 1.08 -0.59 -1.76 115.11 124.36 3i4k h GLN 9 Ca -0.25 -0.82 -0.05 0.00 -1.45 0.00 0.00 58.65 56.07 3i4k h GLN 9 Cb 1.07 0.31 -0.16 0.00 -0.05 0.00 0.00 27.48 28.64 3i4k h GLN 9 CO 1.15 1.39 0.11 0.21 -0.95 0.00 0.00 178.83 180.74 3i4k s LYS 10 N -2.60 1.08 -0.08 1.46 2.20 -0.86 -4.84 119.74 116.10 3i4k s LYS 10 Ca -0.10 -0.11 0.01 0.00 -0.36 0.00 0.00 55.97 55.40 3i4k s LYS 10 Cb 0.05 0.50 0.02 0.00 -1.51 0.00 0.00 37.83 36.88 3i4k s LYS 10 CO 0.92 -0.39 -0.09 0.14 -0.36 0.00 0.00 175.35 175.57 3i4k s VAL 11 N -2.24 0.94 0.26 4.02 -7.23 -1.26 0.11 120.40 115.00 3i4k s VAL 11 Ca -0.06 -0.31 0.10 0.00 -1.81 0.00 0.00 61.98 59.90 3i4k s VAL 11 Cb -0.01 -0.91 -0.05 0.00 0.56 0.00 0.00 36.38 35.97 3i4k s VAL 11 CO 0.00 0.33 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.34 3i4k s GLU 12 N 1.10 1.57 -0.13 4.82 2.02 0.29 -4.95 118.70 123.42 3i4k s GLU 12 Ca -0.07 -1.73 -0.06 0.00 0.02 0.00 0.00 54.97 53.13 3i4k s GLU 12 Cb -0.14 -1.54 0.05 0.00 0.10 0.00 0.00 34.13 32.60 3i4k s GLU 12 CO -0.01 0.26 0.30 -1.54 0.02 0.00 0.00 175.26 174.28 3i4k s SER 13 N -3.45 -0.34 -0.06 -0.19 1.04 -1.26 0.51 113.70 109.95 3i4k s SER 13 Ca 0.28 0.64 0.04 0.00 0.48 0.00 0.00 55.95 57.38 3i4k s SER 13 Cb -0.03 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3i4k s SER 13 CO 0.12 -0.17 -0.18 -0.13 0.98 0.00 0.00 173.24 173.86 3i4k s ARG 14 N 1.31 2.13 -0.35 4.02 0.52 0.21 -4.93 118.95 121.86 3i4k s ARG 14 Ca -0.09 -0.65 -0.25 0.00 -0.52 0.00 0.00 55.73 54.21 3i4k s ARG 14 Cb -0.10 -1.74 0.01 0.00 0.52 0.00 0.00 34.95 33.64 3i4k s ARG 14 CO -0.10 0.19 0.90 0.42 0.02 0.00 0.00 175.30 176.73 3i4k s ILE 15 N 0.25 4.63 -0.16 1.52 1.01 -1.26 -0.11 121.20 127.09 3i4k s ILE 15 Ca -0.10 1.22 -0.07 0.00 0.00 0.00 0.00 60.65 61.69 3i4k s ILE 15 Cb -0.14 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 3i4k s ILE 15 CO 0.04 -0.46 0.10 -0.76 0.00 0.00 0.00 174.94 173.86 3i4k s LEU 16 N 3.35 4.05 -0.32 2.97 1.43 0.11 -0.70 118.68 129.58 3i4k s LEU 16 Ca 0.37 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.70 3i4k s LEU 16 Cb -0.13 -2.01 0.07 0.00 0.03 0.00 0.00 46.19 44.15 3i4k s LEU 16 CO 0.17 0.26 0.03 -1.81 0.23 0.00 0.00 176.35 175.23 3i4k s ASP 17 N -0.15 4.90 -0.19 2.29 1.01 -0.36 -0.47 116.67 123.70 3i4k s ASP 17 Ca 0.09 -1.51 0.01 0.00 0.71 0.00 0.00 52.55 51.84 3i4k s ASP 17 Cb -0.12 -1.71 0.02 0.00 1.01 0.00 0.00 42.92 42.12 3i4k s ASP 17 CO 0.01 -0.32 -0.18 0.54 0.21 0.00 0.00 175.17 175.44 3i4k s VAL 18 N 1.18 2.21 0.58 -1.27 0.11 -0.56 -4.84 120.40 117.81 3i4k s VAL 18 Ca -0.02 -0.95 -0.20 0.00 -2.93 0.00 0.00 61.98 57.89 3i4k s VAL 18 Cb -0.20 -1.97 -0.04 0.00 -1.53 0.00 0.00 36.38 32.63 3i4k s VAL 18 CO -0.03 0.48 1.18 -2.65 -3.33 0.00 0.00 175.10 170.76 3i4k n PRO 19 N 4.63 1.27 -3.05 1.54 -0.02 -1.26 -0.91 135.00 137.20 3i4k n PRO 19 Ca -0.20 0.48 -0.20 0.00 -2.02 0.00 0.00 63.50 61.56 3i4k n PRO 19 Cb 0.49 -2.38 0.01 0.00 -0.02 0.00 0.00 33.50 31.60 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 -2.91 3.66 0.16 2.45 1.02 -0.95 -0.31 118.68 121.79 3i4k s LEU 20 Ca 0.75 -0.10 -0.06 0.00 0.02 0.00 0.00 54.13 54.73 3i4k s LEU 20 Cb -0.42 -2.84 0.01 0.00 0.02 0.00 0.00 46.19 42.95 3i4k s LEU 20 CO 0.47 -0.74 1.43 0.40 0.02 0.00 0.00 176.35 177.93 3i4k h ILE 21 N 0.53 1.31 -3.64 -0.59 2.04 -1.65 -3.39 117.51 112.12 3i4k h ILE 21 Ca -0.43 -1.89 -0.13 0.00 1.00 0.00 0.00 64.86 63.41 3i4k h ILE 21 Cb 1.27 1.85 -0.19 0.00 -0.74 0.00 0.00 36.82 39.01 3i4k h ILE 21 CO 0.52 0.59 -0.49 -0.13 0.00 0.00 0.00 178.15 178.63 3i4k s ARG 22 N -3.90 0.56 0.58 2.37 0.52 -1.26 -5.04 118.95 112.78 3i4k s ARG 22 Ca -0.08 -0.58 -0.19 0.00 -0.52 0.00 0.00 55.73 54.36 3i4k s ARG 22 Cb 0.10 0.22 -0.06 0.00 0.52 0.00 0.00 34.95 35.74 3i4k s ARG 22 CO 0.86 -0.14 0.95 -2.30 0.02 0.00 0.00 175.30 174.69 3i4k n PRO 23 N 1.06 0.93 -3.97 3.54 -0.02 -1.26 -4.92 135.00 130.35 3i4k n PRO 23 Ca -0.21 0.36 -0.31 0.00 -2.02 0.00 0.00 63.50 61.32 3i4k n PRO 23 Cb 0.57 -2.14 -0.15 0.00 -0.02 0.00 0.00 33.50 31.76 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 -1.50 2.83 0.02 6.00 2.46 0.67 -4.92 115.29 120.85 3i4k s HIS 24 Ca 0.74 -2.14 -0.22 0.00 0.47 0.00 0.00 55.06 53.92 3i4k s HIS 24 Cb -0.43 -1.93 -0.06 0.00 -0.13 0.00 0.00 32.58 30.03 3i4k s HIS 24 CO 0.48 -0.84 0.64 0.20 -2.47 0.00 0.00 174.74 172.75 3i4k s GLY 25 N 1.24 2.67 0.49 1.59 0.00 -1.26 0.03 107.32 112.07 3i4k s GLY 25 Ca -0.02 0.10 0.04 0.00 0.00 0.00 0.00 44.72 44.83 3i4k s GLY 25 CO -0.08 0.81 0.08 -1.36 0.00 0.00 0.00 173.10 172.55 3i4k s PHE 26 N -0.28 2.03 0.35 1.90 0.08 0.15 -1.21 117.98 121.00 3i4k s PHE 26 Ca 0.33 -0.85 0.09 0.00 0.12 0.00 0.00 56.93 56.62 3i4k s PHE 26 Cb -0.19 -1.72 0.80 0.00 -0.57 0.00 0.00 43.02 41.34 3i4k s PHE 26 CO 0.19 0.17 1.85 0.00 -0.10 0.00 0.00 175.22 177.32 3i4k h ALA 27 N 1.35 1.81 0.00 5.36 0.00 -1.88 -3.26 119.26 122.64 3i4k h ALA 27 Ca -0.43 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3i4k h ALA 27 Cb 1.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3i4k h ALA 27 CO 0.73 -0.09 0.00 0.25 0.00 0.00 0.00 179.25 180.14 3i4k n THR 28 N -4.60 0.28 -4.03 0.00 -2.24 -1.26 -3.33 114.28 99.10 3i4k n THR 28 Ca 0.19 -0.41 -0.10 0.00 -2.27 0.00 0.00 64.05 61.47 3i4k n THR 28 Cb 0.50 1.08 -0.06 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.28 0.00 -0.05 4.28 -4.23 -1.23 -5.15 115.64 108.98 3i4k s THR 29 Ca 0.00 -1.50 -0.00 0.00 -1.18 0.00 0.00 61.69 59.01 3i4k s THR 29 Cb 0.00 -2.24 0.03 0.00 1.34 0.00 0.00 72.50 71.63 3i4k s THR 29 CO 0.00 -0.01 -0.01 -0.89 -0.54 0.00 0.00 174.62 173.18 3i4k s THR 30 N -4.04 0.33 -0.06 3.99 2.01 -1.26 0.33 115.64 116.93 3i4k s THR 30 Ca 0.25 0.07 -0.16 0.00 0.31 0.00 0.00 61.69 62.16 3i4k s THR 30 Cb 0.01 -0.44 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 3i4k s THR 30 CO 0.09 0.21 0.41 -0.44 -0.69 0.00 0.00 174.62 174.20 3i4k s SER 31 N 1.43 6.71 -0.02 3.53 0.01 0.10 -4.89 113.70 120.56 3i4k s SER 31 Ca -0.04 0.84 0.11 0.00 1.31 0.00 0.00 55.95 58.18 3i4k s SER 31 Cb -0.13 -2.25 -0.18 0.00 0.21 0.00 0.00 66.02 63.67 3i4k s SER 31 CO -0.03 0.19 0.24 0.35 0.41 0.00 0.00 173.24 174.40 3i4k n THR 32 N 2.70 0.06 -3.72 1.44 -2.24 -1.26 -0.23 114.28 111.02 3i4k n THR 32 Ca -0.11 -0.28 -0.11 0.00 -2.27 0.00 0.00 64.05 61.28 3i4k n THR 32 Cb 0.52 0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 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 -2.76 0.92 -0.10 -0.78 -1.05 -1.26 -2.23 118.70 111.44 3i4k s GLU 33 Ca -0.04 -0.64 -0.03 0.00 -0.15 0.00 0.00 54.97 54.11 3i4k s GLU 33 Cb 0.07 0.40 -0.03 0.00 -0.44 0.00 0.00 34.13 34.12 3i4k s GLU 33 CO 0.48 -0.32 0.03 -1.14 0.95 0.00 0.00 175.26 175.25 3i4k s GLN 34 N -3.21 3.18 -0.20 -4.83 2.00 -0.08 -4.89 119.66 111.62 3i4k s GLN 34 Ca -0.00 -0.37 -0.09 0.00 -2.00 0.00 0.00 55.36 52.90 3i4k s GLN 34 Cb 0.01 -2.90 -0.04 0.00 0.80 0.00 0.00 33.01 30.88 3i4k s GLN 34 CO -0.08 0.65 0.10 -1.01 -0.50 0.00 0.00 175.29 174.45 3i4k s HIS 35 N -0.72 3.30 -0.12 1.67 3.76 -1.26 -1.50 115.29 120.42 3i4k s HIS 35 Ca 0.12 0.15 -0.01 0.00 -0.15 0.00 0.00 55.06 55.16 3i4k s HIS 35 Cb -0.12 -2.14 0.04 0.00 1.11 0.00 0.00 32.58 31.47 3i4k s HIS 35 CO 0.02 0.16 -0.02 0.42 -0.85 0.00 0.00 174.74 174.47 3i4k s ILE 36 N 0.52 0.68 -0.57 0.60 1.01 0.39 -4.55 121.20 119.28 3i4k s ILE 36 Ca 0.05 -0.23 -0.24 0.00 0.00 0.00 0.00 60.65 60.24 3i4k s ILE 36 Cb -0.12 -0.87 0.04 0.00 0.01 0.00 0.00 42.46 41.52 3i4k s ILE 36 CO 0.00 0.18 0.96 -0.22 0.00 0.00 0.00 174.94 175.87 3i4k s LEU 37 N 1.83 4.08 -0.37 2.97 2.96 -0.72 0.09 118.68 129.53 3i4k s LEU 37 Ca 0.03 -0.41 -0.24 0.00 -0.22 0.00 0.00 54.13 53.28 3i4k s LEU 37 Cb -0.14 -2.78 0.01 0.00 0.50 0.00 0.00 46.19 43.78 3i4k s LEU 37 CO -0.07 -1.28 0.85 -0.22 -1.32 0.00 0.00 176.35 174.31 3i4k s LEU 38 N 4.05 4.07 -0.14 -0.68 2.96 0.85 -0.31 118.68 129.49 3i4k s LEU 38 Ca 0.30 0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 54.60 3i4k s LEU 38 Cb -0.13 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 3i4k s LEU 38 CO 0.18 -0.79 0.08 -0.69 -1.32 0.00 0.00 176.35 173.82 3i4k s VAL 39 N 3.26 5.02 -0.07 1.68 1.01 -0.14 -0.62 120.40 130.55 3i4k s VAL 39 Ca 0.34 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.40 3i4k s VAL 39 Cb -0.13 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 3i4k s VAL 39 CO 0.18 0.54 -0.20 -0.94 0.00 0.00 0.00 175.10 174.67 3i4k s SER 40 N -0.38 2.61 -0.29 3.32 1.04 0.18 -1.61 113.70 118.57 3i4k s SER 40 Ca 0.10 -0.45 -0.08 0.00 0.48 0.00 0.00 55.95 56.01 3i4k s SER 40 Cb -0.12 -0.93 -0.00 0.00 0.10 0.00 0.00 66.02 65.07 3i4k s SER 40 CO 0.02 0.16 0.10 -0.69 0.98 0.00 0.00 173.24 173.80 3i4k s VAL 41 N 0.17 4.19 -0.30 5.02 1.01 -0.04 -0.55 120.40 129.90 3i4k s VAL 41 Ca -0.10 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 3i4k s VAL 41 Cb -0.15 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 3i4k s VAL 41 CO 0.05 0.13 0.20 -1.00 0.00 0.00 0.00 175.10 174.48 3i4k s HIS 42 N 1.55 3.22 0.26 5.22 3.76 0.30 -1.58 115.29 128.02 3i4k s HIS 42 Ca 0.04 -0.01 0.02 0.00 -0.15 0.00 0.00 55.06 54.96 3i4k s HIS 42 Cb -0.17 -2.41 -0.03 0.00 1.11 0.00 0.00 32.58 31.08 3i4k s HIS 42 CO 0.04 -0.23 0.42 -0.51 -0.85 0.00 0.00 174.74 173.60 3i4k s LEU 43 N 1.74 4.20 0.29 0.89 1.43 -0.66 0.15 118.68 126.71 3i4k s LEU 43 Ca 0.07 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 3i4k s LEU 43 Cb -0.16 -3.07 0.70 0.00 0.03 0.00 0.00 46.19 43.69 3i4k s LEU 43 CO 0.11 -0.13 1.72 -0.08 0.23 0.00 0.00 176.35 178.19 3i4k h GLU 44 N 1.22 0.47 0.00 1.70 4.57 -0.28 -0.03 114.58 122.23 3i4k h GLU 44 Ca -0.50 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 3i4k h GLU 44 Cb 1.22 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3i4k h GLU 44 CO 0.63 0.31 0.00 0.27 -1.18 0.00 0.00 179.01 179.04 3i4k n ASN 45 N -4.98 0.00 0.00 1.04 2.04 -0.63 -4.86 115.26 107.87 3i4k n ASN 45 Ca 0.21 -1.67 0.00 0.00 -0.44 0.00 0.00 54.58 52.68 3i4k n ASN 45 Cb 0.61 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.86 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 0.41 0.93 3.80 4.83 0.00 -0.02 -5.03 105.19 110.10 3i4k n GLY 46 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.69 4.28 -0.06 1.61 0.11 -1.26 -4.85 120.40 116.53 3i4k s VAL 47 Ca 0.00 1.64 0.03 0.00 -2.93 0.00 0.00 61.98 60.72 3i4k s VAL 47 Cb 0.00 -3.79 0.01 0.00 -1.53 0.00 0.00 36.38 31.07 3i4k s VAL 47 CO 0.00 -0.10 -0.16 -0.63 -3.33 0.00 0.00 175.10 170.89 3i4k s ILE 48 N -1.90 1.37 0.05 7.04 1.01 -1.26 -1.66 121.20 125.85 3i4k s ILE 48 Ca 0.56 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.64 3i4k s ILE 48 Cb -0.14 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 3i4k s ILE 48 CO 0.18 0.40 -0.13 -0.83 0.00 0.00 0.00 174.94 174.57 3i4k s GLY 49 N 0.41 1.68 0.05 6.18 0.00 -0.61 -4.65 107.32 110.38 3i4k s GLY 49 Ca -0.12 -1.17 0.08 0.00 0.00 0.00 0.00 44.72 43.51 3i4k s GLY 49 CO 0.04 -1.08 -0.24 -0.19 0.00 0.00 0.00 173.10 171.63 3i4k s TYR 50 N -1.03 2.09 0.09 1.90 2.02 -1.26 -0.86 117.35 120.29 3i4k s TYR 50 Ca 0.17 -0.39 -0.05 0.00 -0.37 0.00 0.00 57.07 56.43 3i4k s TYR 50 Cb -0.11 -1.24 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 3i4k s TYR 50 CO 0.08 0.12 0.09 0.20 -1.57 0.00 0.00 175.55 174.47 3i4k s GLY 51 N -1.24 0.41 -0.11 0.71 0.00 -0.64 -3.66 107.32 102.79 3i4k s GLY 51 Ca 0.10 -1.01 0.02 0.00 0.00 0.00 0.00 44.72 43.84 3i4k s GLY 51 CO 0.02 -1.09 -0.20 -0.54 0.00 0.00 0.00 173.10 171.29 3i4k s GLU 52 N -3.92 3.18 -0.65 2.90 2.02 -1.26 -0.96 118.70 120.00 3i4k s GLU 52 Ca 0.10 -0.80 -0.15 0.00 0.02 0.00 0.00 54.97 54.13 3i4k s GLU 52 Cb 0.06 -2.43 0.16 0.00 0.10 0.00 0.00 34.13 32.02 3i4k s GLU 52 CO -0.08 0.18 0.60 0.20 0.02 0.00 0.00 175.26 176.18 3i4k s GLY 53 N 0.37 2.31 -0.03 -1.39 0.00 0.58 -3.97 107.32 105.19 3i4k s GLY 53 Ca -0.15 -2.84 -0.02 0.00 0.00 0.00 0.00 44.72 41.70 3i4k s GLY 53 CO 0.07 1.22 0.07 0.54 0.00 0.00 0.00 173.10 175.00 3i4k s VAL 54 N 1.04 -0.01 0.32 1.40 0.11 -1.26 -1.76 120.40 120.24 3i4k s VAL 54 Ca 0.09 0.04 0.10 0.00 -2.93 0.00 0.00 61.98 59.27 3i4k s VAL 54 Cb -0.22 -0.11 -0.06 0.00 -1.53 0.00 0.00 36.38 34.46 3i4k s VAL 54 CO -0.02 0.02 -0.06 0.68 -3.33 0.00 0.00 175.10 172.38 3i4k s VAL 55 N 0.24 2.53 -0.99 2.04 -7.23 -1.26 -4.85 120.40 110.88 3i4k s VAL 55 Ca -0.02 -2.13 -0.24 0.00 -1.81 0.00 0.00 61.98 57.79 3i4k s VAL 55 Cb -0.03 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 3i4k s VAL 55 CO -0.01 -0.25 1.89 -2.84 -0.31 0.00 0.00 175.10 173.58 3i4k s PRO 56 N -3.64 2.68 0.00 4.82 0.02 -1.14 -4.36 135.00 133.39 3i4k s PRO 56 Ca 0.33 -0.61 0.00 0.00 0.02 0.00 0.00 61.00 60.73 3i4k s PRO 56 Cb -0.01 -5.15 0.00 0.00 0.02 0.00 0.00 34.50 29.37 3i4k s PRO 56 CO 0.18 -3.37 0.00 0.41 -0.33 0.00 0.00 177.00 173.89 3i4k n GLY 57 N 6.58 1.47 0.00 0.52 0.00 -1.26 -4.77 105.19 107.73 3i4k n GLY 57 Ca 0.41 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.19 0.08 -0.02 0.00 -1.26 -4.78 105.19 98.01 3i4k n GLY 58 Ca 0.00 -0.93 0.08 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.02 0.09 0.28 1.61 -0.04 -1.24 -2.87 135.00 132.80 3i4k n PRO 59 Ca 0.00 0.44 0.12 0.00 -0.04 0.00 0.00 63.50 64.02 3i4k n PRO 59 Cb 0.00 -1.71 0.80 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.03 0.54 5.08 -1.92 -0.11 115.95 119.56 3i4k h TRP 60 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 3i4k h TRP 60 Cb 0.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.34 3i4k h TRP 60 CO 0.00 0.00 -0.01 2.35 -1.28 0.00 0.00 178.44 179.50 3i4k h TRP 61 N 0.00 -0.03 0.00 0.12 7.01 -1.83 -3.43 115.95 117.78 3i4k h TRP 61 Ca 0.01 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 3i4k h TRP 61 Cb 0.02 0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.10 3i4k h TRP 61 CO 0.00 0.45 0.00 0.41 -2.79 0.00 0.00 178.44 176.51 3i4k n GLY 62 N 0.26 -0.89 0.00 2.65 0.00 -1.15 -5.04 105.19 101.02 3i4k n GLY 62 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 3.22 3.80 -0.02 0.00 -0.07 -5.07 105.19 107.06 3i4k n GLY 63 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.85 2.98 0.27 1.61 2.02 -1.26 -4.91 118.70 118.55 3i4k s GLU 64 Ca 0.00 -0.66 -0.04 0.00 0.02 0.00 0.00 54.97 54.28 3i4k s GLU 64 Cb 0.00 -2.77 -0.02 0.00 0.10 0.00 0.00 34.13 31.44 3i4k s GLU 64 CO 0.00 0.57 0.35 -1.54 0.02 0.00 0.00 175.26 174.65 3i4k s SER 65 N -2.47 0.42 0.33 -0.19 1.04 -1.26 -3.69 113.70 107.88 3i4k s SER 65 Ca 0.30 -1.31 0.04 0.00 0.48 0.00 0.00 55.95 55.47 3i4k s SER 65 Cb -0.12 0.54 0.66 0.00 0.10 0.00 0.00 66.02 67.20 3i4k s SER 65 CO 0.23 -1.08 1.90 -0.37 0.98 0.00 0.00 173.24 174.90 3i4k h VAL 66 N 2.32 0.97 -0.28 5.02 -1.51 -1.90 -1.88 116.25 118.99 3i4k h VAL 66 Ca -0.30 -0.30 -0.06 0.00 -1.23 0.00 0.00 66.70 64.81 3i4k h VAL 66 Cb 1.25 0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 30.43 3i4k h VAL 66 CO 0.42 0.16 -0.06 -0.33 -1.23 0.00 0.00 177.57 176.53 3i4k h GLU 67 N 0.87 0.54 -1.18 5.19 3.07 -1.97 -1.28 114.58 119.82 3i4k h GLU 67 Ca 0.40 -0.20 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 3i4k h GLU 67 Cb 0.40 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3i4k h GLU 67 CO -0.17 0.73 0.00 2.41 -1.40 0.00 0.00 179.01 180.59 3i4k n THR 68 N -4.52 0.16 0.00 1.13 -1.04 -0.71 -1.97 114.28 107.33 3i4k n THR 68 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3i4k n THR 68 Cb 0.30 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 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 0.68 0.00 -0.32 -2.82 4.81 -0.48 -2.26 118.16 117.76 3i4k n LYS 70 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 3i4k n LYS 70 Cb 0.11 0.00 0.28 0.00 0.02 0.00 0.00 35.03 35.44 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 1.62 0.10 3.14 0.00 -1.66 -1.23 119.26 121.22 3i4k h ALA 71 Ca 0.00 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 3i4k h ALA 71 Cb 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.62 3i4k h ALA 71 CO 0.00 0.16 -0.96 -0.07 0.00 0.00 0.00 179.25 178.38 3i4k h LEU 72 N 0.91 0.68 0.72 0.00 3.38 -1.73 -2.69 115.31 116.58 3i4k h LEU 72 Ca 0.46 -0.84 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 3i4k h LEU 72 Cb 0.49 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.04 3i4k h LEU 72 CO -0.22 1.45 -0.35 0.58 0.09 0.00 0.00 178.44 180.00 3i4k h VAL 73 N -0.00 0.17 0.10 1.22 2.07 -1.78 -0.42 116.25 117.60 3i4k h VAL 73 Ca -0.15 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.18 3i4k h VAL 73 Cb 1.69 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3i4k h VAL 73 CO 0.18 0.02 -0.17 0.44 0.02 0.00 0.00 177.57 178.06 3i4k h ASP 74 N -1.14 -0.47 0.38 0.57 3.32 -1.38 0.29 116.42 118.00 3i4k h ASP 74 Ca -0.10 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3i4k h ASP 74 Cb 0.77 0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3i4k h ASP 74 CO 0.16 -0.24 -0.19 0.61 -1.72 0.00 0.00 179.24 177.86 3i4k n GLY 75 N -1.30 -0.91 0.35 2.75 0.00 -1.01 -4.45 105.19 100.62 3i4k n GLY 75 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3i4k n GLY 75 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i4k n TYR 76 N -0.96 0.00 0.06 1.61 4.02 -0.29 -4.91 117.16 116.69 3i4k n TYR 76 Ca 0.12 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.79 3i4k n TYR 76 Cb 0.31 0.09 -0.15 0.00 -0.02 0.00 0.00 39.34 39.57 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 0.58 0.15 7.72 3.38 -0.98 -3.38 115.31 122.77 3i4k h LEU 77 Ca 0.00 -0.92 0.02 0.00 0.09 0.00 0.00 57.88 57.07 3i4k h LEU 77 Cb 0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3i4k h LEU 77 CO 0.00 1.71 -0.40 0.00 0.09 0.00 0.00 178.44 179.84 3i4k h ALA 78 N 0.07 -0.73 -0.33 1.53 0.00 -0.63 -2.37 119.26 116.79 3i4k h ALA 78 Ca -0.31 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.62 3i4k h ALA 78 Cb 1.99 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 20.43 3i4k h ALA 78 CO 0.16 -0.98 0.44 -1.00 0.00 0.00 0.00 179.25 177.87 3i4k h PRO 79 N -0.66 0.00 -0.25 0.00 0.13 -1.78 -0.50 132.00 128.94 3i4k h PRO 79 Ca 0.02 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.04 3i4k h PRO 79 Cb 0.67 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 3i4k h PRO 79 CO -0.22 0.00 -0.30 0.28 -0.23 0.00 0.00 178.00 177.53 3i4k h VAL 80 N 0.00 1.28 0.02 1.56 2.07 -1.60 -3.28 116.25 116.30 3i4k h VAL 80 Ca 0.16 -1.38 -0.20 0.00 0.82 0.00 0.00 66.70 66.09 3i4k h VAL 80 Cb 1.02 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 3i4k h VAL 80 CO -0.00 0.44 -0.94 -0.07 0.02 0.00 0.00 177.57 177.01 3i4k h LEU 81 N 0.44 0.13 -9.41 2.57 4.07 -1.14 -3.46 115.31 108.51 3i4k h LEU 81 Ca 0.06 -0.12 -0.53 0.00 0.08 0.00 0.00 57.88 57.37 3i4k h LEU 81 Cb 0.75 -0.04 0.02 0.00 1.08 0.00 0.00 40.66 42.47 3i4k h LEU 81 CO 0.06 1.00 1.17 -0.63 -1.08 0.00 0.00 178.44 178.95 3i4k s ILE 82 N -2.97 2.89 0.00 1.22 1.01 -1.21 -2.17 121.20 119.96 3i4k s ILE 82 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.74 3i4k s ILE 82 Cb 0.10 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.50 3i4k s ILE 82 CO 0.82 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.37 3i4k n GLY 83 N 4.38 1.04 3.88 6.18 0.00 -0.66 -5.01 105.19 114.99 3i4k n GLY 83 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.84 3.23 0.17 1.61 0.52 -0.92 -4.79 118.95 117.93 3i4k s ARG 84 Ca 0.00 -0.60 -0.30 0.00 -0.52 0.00 0.00 55.73 54.31 3i4k s ARG 84 Cb 0.00 -2.89 -0.07 0.00 0.52 0.00 0.00 34.95 32.51 3i4k s ARG 84 CO 0.00 0.56 1.11 0.00 0.02 0.00 0.00 175.30 176.99 3i4k s ALA 85 N -1.58 3.37 -0.02 2.13 0.00 -1.26 -0.67 121.76 123.72 3i4k s ALA 85 Ca 0.33 0.82 0.27 0.00 0.00 0.00 0.00 51.96 53.39 3i4k s ALA 85 Cb -0.12 -3.36 1.44 0.00 0.00 0.00 0.00 23.12 21.08 3i4k s ALA 85 CO 0.26 -0.24 1.83 -0.24 0.00 0.00 0.00 175.76 177.38 3i4k h VAL 86 N 3.80 0.00 0.00 0.00 3.04 -1.40 0.15 116.25 121.83 3i4k h VAL 86 Ca -0.44 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 3i4k h VAL 86 Cb 1.21 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 3i4k h VAL 86 CO 0.73 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 175.75 3i4k n SER 87 N -2.46 0.00 -1.63 3.17 3.41 -1.26 -2.01 113.62 112.83 3i4k n SER 87 Ca -0.01 -1.64 0.08 0.00 -0.26 0.00 0.00 58.87 57.03 3i4k n SER 87 Cb 0.07 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.64 4.22 0.00 4.33 1.02 0.53 -4.81 120.64 125.29 3i4k n GLU 88 Ca 0.06 -3.01 0.00 0.00 -0.02 0.00 0.00 57.16 54.19 3i4k n GLU 88 Cb 0.03 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 3i4k n GLU 88 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3i4k n LEU 89 N 0.64 0.00 -0.25 -4.62 -0.00 -0.85 -0.31 117.00 111.61 3i4k n LEU 89 Ca 0.26 0.67 0.14 0.00 -0.00 0.00 0.00 56.01 57.08 3i4k n LEU 89 Cb 1.04 -0.30 0.43 0.00 -0.00 0.00 0.00 43.42 44.58 3i4k n LEU 89 CO 0.27 -0.30 1.22 0.00 -0.00 0.00 0.00 177.39 178.57 3i4k h ALA 90 N -0.83 1.96 -0.26 1.96 0.00 -1.89 -0.81 119.26 119.38 3i4k h ALA 90 Ca 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3i4k h ALA 90 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3i4k h ALA 90 CO 0.00 -0.21 -0.44 0.78 0.00 0.00 0.00 179.25 179.37 3i4k h GLY 91 N 0.58 0.72 -1.91 0.00 0.00 -1.37 -2.17 103.07 98.92 3i4k h GLY 91 Ca 0.45 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3i4k h GLY 91 CO -0.19 0.68 0.00 1.39 0.00 0.00 0.00 176.54 178.42 3i4k n ILE 92 N -4.02 0.31 0.00 2.60 5.41 0.58 -1.48 119.36 122.76 3i4k n ILE 92 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 3i4k n ILE 92 Cb 0.55 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.86 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 0.78 0.00 0.27 -1.39 0.00 -0.82 -1.44 120.51 117.91 3i4k n ALA 94 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3i4k n ALA 94 Cb 0.16 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.36 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 0.06 0.00 3.32 -1.54 -2.27 116.42 115.99 3i4k h ASP 95 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3i4k h ASP 95 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3i4k h ASP 95 CO 0.00 0.10 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.48 3i4k h LEU 96 N 0.00 0.05 -2.09 1.55 3.38 -1.53 -1.81 115.31 114.86 3i4k h LEU 96 Ca -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3i4k h LEU 96 Cb 0.36 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3i4k h LEU 96 CO 0.01 0.13 -0.07 -0.33 0.09 0.00 0.00 178.44 178.27 3i4k h GLU 97 N 0.05 0.00 0.00 1.13 4.39 -1.58 -1.26 114.58 117.30 3i4k h GLU 97 Ca 0.01 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 3i4k h GLU 97 Cb 0.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3i4k h GLU 97 CO 0.01 0.07 -0.47 0.00 -1.16 0.00 0.00 179.01 177.46 3i4k h ARG 98 N 0.00 0.00 0.00 2.33 3.08 -1.47 -3.32 114.38 115.00 3i4k h ARG 98 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i4k h ARG 98 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3i4k h ARG 98 CO 0.01 0.47 -1.69 1.33 -1.07 0.00 0.00 179.97 179.02 3i4k n VAL 99 N -3.56 0.00 -3.59 2.04 0.24 -0.83 -4.95 118.33 107.68 3i4k n VAL 99 Ca -0.00 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.34 61.81 3i4k n VAL 99 Cb 0.57 0.17 -0.12 0.00 -1.47 0.00 0.00 33.84 32.99 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 -3.08 -0.43 0.37 3.34 1.01 -0.54 -5.04 120.40 116.04 3i4k s VAL 100 Ca -0.05 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 3i4k s VAL 100 Cb 0.10 -0.55 -0.06 0.00 0.00 0.00 0.00 36.38 35.87 3i4k s VAL 100 CO 0.66 0.02 0.72 0.00 0.00 0.00 0.00 175.10 176.50 3i4k s ALA 101 N 2.43 3.40 0.00 5.51 0.00 -1.26 -4.27 121.76 127.57 3i4k s ALA 101 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.75 3i4k s ALA 101 Cb -0.13 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.35 3i4k s ALA 101 CO -0.10 0.08 0.00 0.54 0.00 0.00 0.00 175.76 176.27 3i4k n ARG 102 N -1.13 0.00 -4.18 0.00 1.74 -1.26 -4.85 116.66 106.98 3i4k n ARG 102 Ca 0.02 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.77 3i4k n ARG 102 Cb 0.54 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.94 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 10.20 -1.61 -0.09 7.54 0.00 -1.26 -4.85 120.51 130.45 3i4k n ALA 103 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 53.44 53.29 3i4k n ALA 103 Cb 0.00 -2.36 0.32 0.00 0.00 0.00 0.00 19.45 17.41 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 -1.60 0.72 -0.53 0.00 2.47 -1.89 -2.12 114.38 111.43 3i4k h ARG 104 Ca -0.61 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.02 3i4k h ARG 104 Cb 1.38 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 29.53 3i4k h ARG 104 CO 0.73 0.53 0.27 1.88 0.56 0.00 0.00 179.97 183.93 3i4k h TYR 105 N 0.73 0.76 -0.08 3.04 0.05 -1.77 0.62 116.97 120.33 3i4k h TYR 105 Ca 0.19 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.93 3i4k h TYR 105 Cb 0.01 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 37.51 3i4k h TYR 105 CO 0.00 0.59 0.04 0.00 -1.05 0.00 0.00 178.16 177.74 3i4k h ALA 106 N 1.10 0.10 -0.89 3.88 0.00 -1.80 -2.97 119.26 118.69 3i4k h ALA 106 Ca 0.18 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3i4k h ALA 106 Cb 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3i4k h ALA 106 CO -0.02 -0.35 0.59 0.87 0.00 0.00 0.00 179.25 180.33 3i4k h LYS 107 N 0.03 1.07 -0.66 0.00 1.57 -1.04 -2.42 116.57 115.12 3i4k h LYS 107 Ca 0.03 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 3i4k h LYS 107 Cb 0.09 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 3i4k h LYS 107 CO -0.00 0.71 0.44 0.00 -0.57 0.00 0.00 179.45 180.02 3i4k h ALA 108 N 1.48 1.85 -0.71 3.86 0.00 -0.71 -1.54 119.26 123.48 3i4k h ALA 108 Ca 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 3i4k h ALA 108 Cb 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3i4k h ALA 108 CO -0.11 0.03 0.36 0.00 0.00 0.00 0.00 179.25 179.53 3i4k h ALA 109 N 1.65 0.92 -0.44 0.00 0.00 -1.43 -1.52 119.26 118.44 3i4k h ALA 109 Ca 0.29 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3i4k h ALA 109 Cb 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3i4k h ALA 109 CO -0.09 0.46 -0.21 0.28 0.00 0.00 0.00 179.25 179.69 3i4k h VAL 110 N 0.99 1.27 -0.09 0.00 2.07 -1.38 -2.28 116.25 116.84 3i4k h VAL 110 Ca 0.25 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 3i4k h VAL 110 Cb 0.08 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3i4k h VAL 110 CO -0.03 0.46 0.05 -0.78 0.02 0.00 0.00 177.57 177.29 3i4k h ASP 111 N 0.74 0.11 -0.38 0.57 1.82 -1.13 -3.18 116.42 114.98 3i4k h ASP 111 Ca 0.10 -0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.63 3i4k h ASP 111 Cb 0.78 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.74 3i4k h ASP 111 CO 0.06 0.16 0.10 0.58 -1.61 0.00 0.00 179.24 178.53 3i4k h VAL 112 N 0.06 1.22 0.00 2.25 2.07 -1.28 -1.78 116.25 118.80 3i4k h VAL 112 Ca 0.03 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3i4k h VAL 112 Cb 0.07 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3i4k h VAL 112 CO -0.01 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.85 3i4k n ALA 113 N -2.34 1.01 0.00 1.67 0.00 -0.86 -0.15 120.51 119.84 3i4k n ALA 113 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3i4k n ALA 113 Cb 0.20 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 0.60 0.00 -0.05 0.00 -0.00 -0.67 -0.03 115.22 115.07 3i4k n HIS 115 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 3i4k n HIS 115 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 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 0.25 0.24 0.41 3.58 -0.82 -0.80 116.42 119.28 3i4k h ASP 116 Ca 0.00 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.24 3i4k h ASP 116 Cb 0.00 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 40.99 3i4k h ASP 116 CO 0.00 0.38 -0.12 0.00 -2.88 0.00 0.00 179.24 176.63 3i4k h ALA 117 N 0.87 -0.33 -0.01 -0.78 0.00 -0.70 -1.60 119.26 116.72 3i4k h ALA 117 Ca 0.05 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3i4k h ALA 117 Cb 0.22 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3i4k h ALA 117 CO -0.00 -0.66 -0.12 2.35 0.00 0.00 0.00 179.25 180.82 3i4k h TRP 118 N -0.36 -0.30 -0.80 0.00 7.01 -1.79 -0.69 115.95 119.02 3i4k h TRP 118 Ca -0.03 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.01 3i4k h TRP 118 Cb 0.28 0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.42 3i4k h TRP 118 CO -0.05 -0.18 0.51 0.00 -2.79 0.00 0.00 178.44 175.94 3i4k h ALA 119 N 0.78 1.05 -0.49 2.65 0.00 -1.11 -0.98 119.26 121.15 3i4k h ALA 119 Ca 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3i4k h ALA 119 Cb 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3i4k h ALA 119 CO -0.12 0.34 0.19 0.00 0.00 0.00 0.00 179.25 179.65 3i4k h ARG 120 N 1.00 0.73 -0.85 0.00 3.08 -0.97 0.11 114.38 117.48 3i4k h ARG 120 Ca 0.32 -0.14 0.07 0.00 0.07 0.00 0.00 59.98 60.30 3i4k h ARG 120 Cb -0.01 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 29.87 3i4k h ARG 120 CO -0.11 0.66 0.55 0.77 -1.07 0.00 0.00 179.97 180.78 3i4k h SER 121 N 0.65 0.82 -0.01 7.04 0.02 -0.41 0.13 113.55 121.78 3i4k h SER 121 Ca 0.16 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3i4k h SER 121 Cb 0.21 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3i4k h SER 121 CO -0.01 0.52 0.00 0.18 -1.14 0.00 0.00 176.83 176.38 3i4k n LEU 122 N -4.49 1.07 -3.21 5.07 4.77 -0.44 -4.93 117.00 114.84 3i4k n LEU 122 Ca 0.13 -0.36 -0.23 0.00 -0.03 0.00 0.00 56.01 55.52 3i4k n LEU 122 Cb 0.23 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.36 3i4k n LEU 122 CO 0.33 0.18 0.07 -3.20 -1.33 0.00 0.00 177.39 173.44 3i4k n ASN 123 N -0.16 -6.17 -4.24 -1.43 5.15 0.44 -5.01 115.26 103.83 3i4k n ASN 123 Ca 0.20 -0.37 -0.14 0.00 -0.60 0.00 0.00 54.58 53.67 3i4k n ASN 123 Cb 0.28 -4.95 -0.10 0.00 -0.53 0.00 0.00 39.78 34.48 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 1.16 0.68 3.44 -7.23 -0.05 -4.81 120.40 110.36 3i4k s VAL 124 Ca 0.39 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.42 3i4k s VAL 124 Cb -0.18 -1.78 0.01 0.00 0.56 0.00 0.00 36.38 35.00 3i4k s VAL 124 CO 0.49 -0.70 1.12 -2.84 -0.31 0.00 0.00 175.10 172.85 3i4k s PRO 125 N -3.57 2.67 0.43 4.82 0.02 -1.23 -0.97 135.00 137.17 3i4k s PRO 125 Ca 0.15 1.40 0.13 0.00 0.02 0.00 0.00 61.00 62.70 3i4k s PRO 125 Cb 0.01 -1.93 1.01 0.00 0.02 0.00 0.00 34.50 33.61 3i4k s PRO 125 CO 0.01 -1.35 1.99 0.28 -0.33 0.00 0.00 177.00 177.60 3i4k h VAL 126 N -0.13 0.93 0.00 3.83 2.07 -1.52 -1.41 116.25 120.02 3i4k h VAL 126 Ca -0.46 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3i4k h VAL 126 Cb 1.25 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3i4k h VAL 126 CO 0.53 0.08 -0.02 0.08 0.02 0.00 0.00 177.57 178.26 3i4k h ARG 127 N 0.42 0.00 0.00 1.57 0.11 -1.85 -0.61 114.38 114.02 3i4k h ARG 127 Ca 0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.33 3i4k h ARG 127 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 3i4k h ARG 127 CO -0.07 0.02 0.00 -0.25 0.10 0.00 0.00 179.97 179.78 3i4k n ASP 128 N -3.52 0.00 -0.82 0.08 8.00 -0.53 -1.15 116.55 118.61 3i4k n ASP 128 Ca -0.03 0.37 0.13 0.00 0.71 0.00 0.00 54.79 55.97 3i4k n ASP 128 Cb 0.12 -0.45 0.23 0.00 -0.02 0.00 0.00 41.12 41.00 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 -1.45 2.55 -0.12 0.64 4.77 -0.24 -4.27 117.00 118.88 3i4k n LEU 129 Ca 0.07 -0.85 0.08 0.00 -0.03 0.00 0.00 56.01 55.27 3i4k n LEU 129 Cb 0.24 -0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.44 3i4k n LEU 129 CO 0.20 0.43 0.52 0.18 -1.33 0.00 0.00 177.39 177.38 3i4k n LEU 130 N 1.00 1.98 0.00 2.23 4.77 -0.30 -4.99 117.00 121.69 3i4k n LEU 130 Ca 0.15 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.45 3i4k n LEU 130 Cb 0.53 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3i4k n LEU 130 CO 0.15 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 3i4k n GLY 131 N -1.16 0.79 1.59 -0.72 0.00 -1.13 -4.84 105.19 99.72 3i4k n GLY 131 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.93 -1.78 3.79 -0.02 0.00 -0.67 -4.96 105.19 100.63 3i4k n GLY 132 Ca 0.00 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 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 4.97 -0.05 2.61 -4.23 -1.26 -3.89 115.64 113.80 3i4k s THR 133 Ca 0.00 -0.01 0.05 0.00 -1.18 0.00 0.00 61.69 60.55 3i4k s THR 133 Cb 0.00 -3.14 -0.07 0.00 1.34 0.00 0.00 72.50 70.63 3i4k s THR 133 CO 0.00 0.60 0.03 0.52 -0.54 0.00 0.00 174.62 175.23 3i4k n VAL 134 N 2.01 0.32 -3.78 2.29 0.31 0.23 -4.97 118.33 114.74 3i4k n VAL 134 Ca -0.19 -0.21 -0.10 0.00 -0.01 0.00 0.00 64.34 63.83 3i4k n VAL 134 Cb 0.54 -0.74 -0.07 0.00 -0.91 0.00 0.00 33.84 32.66 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 -2.15 0.85 0.00 5.55 1.70 -1.02 -5.06 118.95 118.82 3i4k s ARG 135 Ca -0.02 -0.69 0.00 0.00 -0.47 0.00 0.00 55.73 54.55 3i4k s ARG 135 Cb 0.02 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 3i4k s ARG 135 CO 0.21 -0.28 0.35 -0.40 -1.08 0.00 0.00 175.30 174.11 3i4k n ASP 136 N 0.27 0.71 -3.81 -2.89 5.68 -1.26 -4.58 116.55 110.68 3i4k n ASP 136 Ca -0.17 -0.86 -0.12 0.00 -0.50 0.00 0.00 54.79 53.14 3i4k n ASP 136 Cb 0.61 0.27 -0.09 0.00 -1.14 0.00 0.00 41.12 40.77 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 -0.27 0.62 0.01 0.11 -2.85 -1.26 0.15 119.74 116.26 3i4k s LYS 137 Ca 0.00 -0.35 0.01 0.00 -1.00 0.00 0.00 55.97 54.63 3i4k s LYS 137 Cb 0.00 0.27 -0.01 0.00 -2.06 0.00 0.00 37.83 36.03 3i4k s LYS 137 CO 0.00 -0.17 -0.03 0.14 0.10 0.00 0.00 175.35 175.39 3i4k s VAL 138 N -1.62 0.18 0.60 1.79 -7.23 -0.95 -4.96 120.40 108.22 3i4k s VAL 138 Ca -0.12 -0.57 -0.18 0.00 -1.81 0.00 0.00 61.98 59.30 3i4k s VAL 138 Cb -0.05 -0.25 -0.03 0.00 0.56 0.00 0.00 36.38 36.61 3i4k s VAL 138 CO 0.02 -0.25 1.15 -1.81 -0.31 0.00 0.00 175.10 173.90 3i4k s ASP 139 N -0.87 5.28 -0.07 4.85 1.01 -1.26 -2.51 116.67 123.11 3i4k s ASP 139 Ca -0.08 2.21 0.01 0.00 0.71 0.00 0.00 52.55 55.40 3i4k s ASP 139 Cb -0.06 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.31 3i4k s ASP 139 CO -0.00 -1.52 -0.09 -0.69 0.21 0.00 0.00 175.17 173.07 3i4k s VAL 140 N -1.89 0.93 -0.16 -1.27 1.01 -0.35 -2.04 120.40 116.63 3i4k s VAL 140 Ca 0.73 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.29 3i4k s VAL 140 Cb -0.25 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3i4k s VAL 140 CO 0.34 0.32 0.13 0.42 0.00 0.00 0.00 175.10 176.31 3i4k s THR 141 N 0.92 5.45 -0.01 3.92 -4.23 0.46 -4.36 115.64 117.79 3i4k s THR 141 Ca -0.10 0.20 -0.18 0.00 -1.18 0.00 0.00 61.69 60.43 3i4k s THR 141 Cb -0.15 -3.43 -0.06 0.00 1.34 0.00 0.00 72.50 70.21 3i4k s THR 141 CO 0.01 0.53 0.50 0.86 -0.54 0.00 0.00 174.62 175.98 3i4k s TRP 142 N -0.36 3.69 -0.20 3.99 -0.11 -0.86 -4.47 118.94 120.62 3i4k s TRP 142 Ca 0.12 1.08 -0.04 0.00 1.22 0.00 0.00 56.10 58.48 3i4k s TRP 142 Cb -0.12 -2.46 -0.02 0.00 -1.50 0.00 0.00 33.47 29.38 3i4k s TRP 142 CO 0.01 0.47 -0.03 0.00 -4.62 0.00 0.00 176.95 172.78 3i4k s ALA 143 N -0.53 2.89 -0.13 5.86 0.00 -1.26 0.50 121.76 129.09 3i4k s ALA 143 Ca 0.27 -1.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 3i4k s ALA 143 Cb -0.17 -1.69 -0.05 0.00 0.00 0.00 0.00 23.12 21.21 3i4k s ALA 143 CO 0.15 -0.25 0.25 -0.51 0.00 0.00 0.00 175.76 175.39 3i4k s LEU 144 N 1.18 4.30 0.00 0.00 1.02 0.20 -4.93 118.68 120.46 3i4k s LEU 144 Ca 0.02 0.52 -0.15 0.00 0.02 0.00 0.00 54.13 54.55 3i4k s LEU 144 Cb -0.14 -2.29 0.21 0.00 0.02 0.00 0.00 46.19 43.99 3i4k s LEU 144 CO -0.00 0.21 0.85 0.61 0.02 0.00 0.00 176.35 178.04 3i4k n GLY 145 N 2.87 -2.41 3.68 -3.19 0.00 -1.26 -1.12 105.19 103.76 3i4k n GLY 145 Ca -0.15 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 3i4k n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4k s VAL 146 N -2.62 3.02 -0.01 1.61 0.11 -0.35 -4.45 120.40 117.71 3i4k s VAL 146 Ca 0.53 0.39 -0.03 0.00 -2.93 0.00 0.00 61.98 59.94 3i4k s VAL 146 Cb -0.04 -3.25 -0.00 0.00 -1.53 0.00 0.00 36.38 31.55 3i4k s VAL 146 CO 0.40 -0.01 0.06 -0.76 -3.33 0.00 0.00 175.10 171.46 3i4k s LEU 147 N 3.05 1.82 0.74 2.54 1.43 -1.26 -4.50 118.68 122.50 3i4k s LEU 147 Ca 0.77 -0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 53.58 3i4k s LEU 147 Cb -0.40 0.33 0.04 0.00 0.03 0.00 0.00 46.19 46.19 3i4k s LEU 147 CO 0.34 -0.20 1.24 -2.84 0.23 0.00 0.00 176.35 175.11 3i4k s PRO 148 N -0.80 2.04 0.00 1.29 0.02 -1.26 -4.66 135.00 131.63 3i4k s PRO 148 Ca -0.09 1.87 0.00 0.00 0.02 0.00 0.00 61.00 62.80 3i4k s PRO 148 Cb -0.05 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.66 3i4k s PRO 148 CO 0.00 -1.94 0.88 -0.11 -0.33 0.00 0.00 177.00 175.50 3i4k n LEU 149 N -2.71 0.00 -0.27 -5.54 7.94 -1.26 -1.85 117.00 113.32 3i4k n LEU 149 Ca 0.14 0.88 0.08 0.00 -1.11 0.00 0.00 56.01 56.00 3i4k n LEU 149 Cb 0.50 -0.41 0.22 0.00 0.53 0.00 0.00 43.42 44.25 3i4k n LEU 149 CO 0.48 -0.41 0.98 0.44 -1.11 0.00 0.00 177.39 177.77 3i4k h ASP 150 N 0.00 0.16 -0.16 1.96 3.32 -1.98 -1.33 116.42 118.39 3i4k h ASP 150 Ca 0.00 0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.20 3i4k h ASP 150 Cb 0.00 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3i4k h ASP 150 CO 0.00 0.01 0.05 0.58 -1.72 0.00 0.00 179.24 178.16 3i4k h VAL 151 N 0.35 0.97 -0.34 -1.35 2.07 -1.80 -1.85 116.25 114.30 3i4k h VAL 151 Ca 0.45 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.94 3i4k h VAL 151 Cb 0.78 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3i4k h VAL 151 CO -0.49 0.02 0.21 0.00 0.02 0.00 0.00 177.57 177.34 3i4k h ALA 152 N 1.09 0.43 -0.31 1.67 0.00 -0.52 -1.43 119.26 120.19 3i4k h ALA 152 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i4k h ALA 152 Cb 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3i4k h ALA 152 CO -0.07 -0.13 0.19 0.28 0.00 0.00 0.00 179.25 179.53 3i4k h VAL 153 N 0.44 1.09 0.64 0.00 2.07 -1.15 -1.44 116.25 117.89 3i4k h VAL 153 Ca 0.13 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3i4k h VAL 153 Cb -0.03 0.65 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3i4k h VAL 153 CO -0.04 0.09 -0.31 0.00 0.02 0.00 0.00 177.57 177.33 3i4k h ALA 154 N 1.79 -0.85 -0.96 1.67 0.00 -0.56 -2.19 119.26 118.16 3i4k h ALA 154 Ca 0.11 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 55.02 3i4k h ALA 154 Cb -0.03 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 3i4k h ALA 154 CO -0.02 -0.84 0.62 1.49 0.00 0.00 0.00 179.25 180.50 3i4k h GLU 155 N -1.14 0.54 -0.13 0.00 4.81 -0.96 -0.28 114.58 117.41 3i4k h GLU 155 Ca -0.09 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3i4k h GLU 155 Cb 0.69 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 3i4k h GLU 155 CO 0.14 0.36 -0.01 0.82 -0.73 0.00 0.00 179.01 179.59 3i4k h ILE 156 N 0.56 1.27 -0.74 2.32 2.04 -1.23 -0.43 117.51 121.29 3i4k h ILE 156 Ca 0.53 -0.89 0.11 0.00 1.00 0.00 0.00 64.86 65.60 3i4k h ILE 156 Cb 1.10 1.60 -0.08 0.00 -0.74 0.00 0.00 36.82 38.70 3i4k h ILE 156 CO -0.27 0.26 0.36 -0.33 0.00 0.00 0.00 178.15 178.17 3i4k h GLU 157 N -0.05 0.57 -0.67 2.37 4.39 -0.46 -0.63 114.58 120.11 3i4k h GLU 157 Ca 0.04 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 3i4k h GLU 157 Cb 0.40 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3i4k h GLU 157 CO 0.01 0.38 0.15 1.49 -1.16 0.00 0.00 179.01 179.88 3i4k h GLU 158 N 0.59 1.08 -0.35 2.33 4.81 -0.87 -2.96 114.58 119.21 3i4k h GLU 158 Ca 0.38 -0.27 -0.13 0.00 -0.13 0.00 0.00 59.36 59.21 3i4k h GLU 158 Cb 0.45 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3i4k h GLU 158 CO -0.30 0.97 -0.32 0.00 -0.73 0.00 0.00 179.01 178.62 3i4k h ARG 159 N 1.00 0.76 -0.39 1.92 2.47 -0.11 -1.78 114.38 118.25 3i4k h ARG 159 Ca 0.21 -0.36 -0.03 0.00 -1.26 0.00 0.00 59.98 58.55 3i4k h ARG 159 Cb 0.38 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 3i4k h ARG 159 CO 0.00 0.97 0.13 0.82 0.56 0.00 0.00 179.97 182.46 3i4k h ILE 160 N 0.64 1.16 0.00 2.04 2.04 -1.06 0.06 117.51 122.39 3i4k h ILE 160 Ca 0.07 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 3i4k h ILE 160 Cb 0.86 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3i4k h ILE 160 CO 0.07 0.20 -0.00 -0.33 0.00 0.00 0.00 178.15 178.10 3i4k h GLU 161 N 0.55 -0.00 0.00 2.37 4.39 -1.35 -2.99 114.58 117.54 3i4k h GLU 161 Ca 0.13 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.67 3i4k h GLU 161 Cb 0.16 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3i4k h GLU 161 CO -0.01 0.47 -0.75 1.49 -1.16 0.00 0.00 179.01 179.05 3i4k h GLU 162 N -1.00 0.00 0.00 2.33 4.81 -1.37 -3.39 114.58 115.96 3i4k h GLU 162 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3i4k h GLU 162 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3i4k h GLU 162 CO 0.00 0.75 -0.77 1.19 -0.73 0.00 0.00 179.01 179.46 3i4k n PHE 163 N -3.59 0.00 -1.01 0.92 3.72 -0.35 -4.91 117.46 112.24 3i4k n PHE 163 Ca -0.01 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3i4k n PHE 163 Cb 0.74 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.28 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 1.96 0.47 3.61 1.37 0.00 -0.14 0.79 105.19 113.25 3i4k n GLY 164 Ca 0.00 -0.18 -0.51 0.00 0.00 0.00 0.00 46.02 45.33 3i4k n GLY 164 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i4k n ASN 165 N 0.23 1.99 -0.98 1.61 4.13 -1.25 -2.90 115.26 118.09 3i4k n ASN 165 Ca -0.00 1.11 0.11 0.00 1.68 0.00 0.00 54.58 57.48 3i4k n ASN 165 Cb 0.05 -1.24 0.26 0.00 -1.54 0.00 0.00 39.78 37.31 3i4k n ASN 165 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3i4k n ARG 166 N 2.77 2.27 -3.63 3.52 1.74 -1.26 -4.66 116.66 117.42 3i4k n ARG 166 Ca 0.18 -1.93 -0.15 0.00 -0.77 0.00 0.00 57.85 55.17 3i4k n ARG 166 Cb 0.21 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 30.11 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 -1.43 -0.54 0.01 0.55 1.04 -1.26 -2.43 113.70 109.65 3i4k s SER 167 Ca 0.37 0.74 0.04 0.00 0.48 0.00 0.00 55.95 57.57 3i4k s SER 167 Cb 0.21 0.71 -0.01 0.00 0.10 0.00 0.00 66.02 67.03 3i4k s SER 167 CO 0.29 -0.44 -0.11 -0.36 0.98 0.00 0.00 173.24 173.61 3i4k s PHE 168 N -0.71 0.98 -0.18 5.02 0.08 0.42 -2.03 117.98 121.56 3i4k s PHE 168 Ca -0.08 -0.26 -0.04 0.00 0.12 0.00 0.00 56.93 56.67 3i4k s PHE 168 Cb -0.03 -0.61 -0.02 0.00 -0.57 0.00 0.00 43.02 41.80 3i4k s PHE 168 CO 0.06 -0.00 -0.04 0.21 -0.10 0.00 0.00 175.22 175.34 3i4k s LYS 169 N -0.68 3.53 -0.27 0.44 2.20 0.18 -1.33 119.74 123.80 3i4k s LYS 169 Ca 0.02 -0.58 -0.06 0.00 -0.36 0.00 0.00 55.97 54.99 3i4k s LYS 169 Cb -0.06 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.33 3i4k s LYS 169 CO 0.00 0.05 0.05 -0.51 -0.36 0.00 0.00 175.35 174.58 3i4k s LEU 170 N 0.85 3.60 0.88 5.43 1.43 0.03 0.63 118.68 131.53 3i4k s LEU 170 Ca -0.01 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.35 3i4k s LEU 170 Cb -0.15 -1.84 0.12 0.00 0.03 0.00 0.00 46.19 44.35 3i4k s LEU 170 CO 0.01 -0.14 1.11 -0.54 0.23 0.00 0.00 176.35 177.02 3i4k s LYS 171 N 1.49 1.37 0.00 1.70 1.02 -0.28 -2.07 119.74 122.97 3i4k s LYS 171 Ca 0.03 0.55 0.00 0.00 0.02 0.00 0.00 55.97 56.57 3i4k s LYS 171 Cb -0.16 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 3i4k s LYS 171 CO 0.01 -2.10 0.00 0.41 -0.92 0.00 0.00 175.35 172.75 3i4k n GLY 173 N -1.78 2.20 3.73 -3.33 0.00 -1.26 -4.22 105.19 100.52 3i4k n GLY 173 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.50 3.43 0.19 4.61 0.00 -1.21 -4.74 121.76 121.53 3i4k s ALA 174 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.95 3i4k s ALA 174 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.33 3i4k s ALA 174 CO 0.00 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.18 3i4k n GLY 175 N 2.96 -1.78 3.03 0.00 0.00 -1.26 -4.83 105.19 103.31 3i4k n GLY 175 Ca -0.05 -1.20 -0.54 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.14 0.63 -0.14 1.61 2.03 -1.26 -4.81 116.55 111.46 3i4k n ASP 176 Ca 0.01 0.98 -0.08 0.00 0.52 0.00 0.00 54.79 56.21 3i4k n ASP 176 Cb 0.38 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 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 3.53 0.60 -0.47 -0.67 0.11 -1.96 -0.85 132.00 132.29 3i4k h PRO 177 Ca -0.39 -0.07 0.06 0.00 0.11 0.00 0.00 66.00 65.72 3i4k h PRO 177 Cb 1.15 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.09 3i4k h PRO 177 CO 0.71 0.47 0.18 0.00 -0.21 0.00 0.00 178.00 179.15 3i4k h ALA 178 N 1.10 0.57 -0.11 -0.75 0.00 -1.98 0.42 119.26 118.51 3i4k h ALA 178 Ca 0.15 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3i4k h ALA 178 Cb 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i4k h ALA 178 CO -0.03 -0.20 -0.06 0.93 0.00 0.00 0.00 179.25 179.90 3i4k h GLU 179 N 0.37 0.22 -0.89 0.00 5.08 -1.92 0.73 114.58 118.17 3i4k h GLU 179 Ca 0.22 -0.10 0.18 0.00 -1.00 0.00 0.00 59.36 58.66 3i4k h GLU 179 Cb 0.20 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.34 3i4k h GLU 179 CO -0.21 0.58 0.45 0.22 -1.00 0.00 0.00 179.01 179.06 3i4k h ASP 180 N -0.14 0.51 -0.31 1.42 3.58 -0.75 0.39 116.42 121.12 3i4k h ASP 180 Ca 0.02 0.11 -0.15 0.00 0.42 0.00 0.00 57.03 57.43 3i4k h ASP 180 Cb 0.52 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 3i4k h ASP 180 CO 0.02 0.16 -0.39 0.74 -2.88 0.00 0.00 179.24 176.89 3i4k h THR 181 N 0.57 1.28 0.03 2.25 2.02 0.17 -2.47 112.91 116.76 3i4k h THR 181 Ca 0.52 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 66.14 3i4k h THR 181 Cb 0.84 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 68.65 3i4k h THR 181 CO -0.42 0.52 -0.04 -0.09 0.37 0.00 0.00 175.52 175.86 3i4k h ARG 182 N 0.70 -0.08 -0.16 6.66 9.65 0.17 0.94 114.38 132.26 3i4k h ARG 182 Ca 0.06 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.98 3i4k h ARG 182 Cb 0.96 0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 29.49 3i4k h ARG 182 CO 0.09 -0.06 -0.48 -0.09 2.80 0.00 0.00 179.97 182.24 3i4k h ARG 183 N -0.09 -0.50 -0.53 0.20 2.43 -0.27 -0.51 114.38 115.11 3i4k h ARG 183 Ca 0.00 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 3i4k h ARG 183 Cb 0.09 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 3i4k h ARG 183 CO -0.02 -0.33 0.10 0.28 -1.51 0.00 0.00 179.97 178.49 3i4k h VAL 184 N -0.52 1.25 -0.22 0.20 2.07 -1.33 -2.35 116.25 115.35 3i4k h VAL 184 Ca 0.06 -0.92 0.06 0.00 0.82 0.00 0.00 66.70 66.72 3i4k h VAL 184 Cb 0.65 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3i4k h VAL 184 CO -0.43 0.33 -0.18 0.00 0.02 0.00 0.00 177.57 177.31 3i4k h ALA 185 N 0.99 -0.04 -0.24 1.67 0.00 -0.27 -0.53 119.26 120.84 3i4k h ALA 185 Ca 0.16 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3i4k h ALA 185 Cb 0.38 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3i4k h ALA 185 CO 0.01 -0.60 -0.08 0.93 0.00 0.00 0.00 179.25 179.50 3i4k h GLU 186 N -0.18 0.38 -0.26 0.00 5.08 -1.04 -2.16 114.58 116.40 3i4k h GLU 186 Ca 0.13 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 3i4k h GLU 186 Cb 0.38 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3i4k h GLU 186 CO -0.33 0.48 -0.27 1.25 -1.00 0.00 0.00 179.01 179.14 3i4k h LEU 187 N 0.37 0.52 -0.68 1.33 6.46 -0.80 -2.99 115.31 119.51 3i4k h LEU 187 Ca 0.08 -0.18 -0.05 0.00 -0.12 0.00 0.00 57.88 57.60 3i4k h LEU 187 Cb 0.38 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.14 3i4k h LEU 187 CO 0.02 0.78 0.22 0.00 -0.62 0.00 0.00 178.44 178.83 3i4k h ALA 188 N 1.26 0.89 -0.09 1.25 0.00 -0.48 -0.78 119.26 121.32 3i4k h ALA 188 Ca 0.06 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3i4k h ALA 188 Cb 0.71 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3i4k h ALA 188 CO 0.05 0.57 -0.35 0.00 0.00 0.00 0.00 179.25 179.52 3i4k h ARG 189 N 1.00 0.17 0.17 0.00 3.08 -1.36 0.82 114.38 118.26 3i4k h ARG 189 Ca 0.22 -0.07 -0.29 0.00 0.07 0.00 0.00 59.98 59.91 3i4k h ARG 189 Cb 0.29 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.35 3i4k h ARG 189 CO -0.01 0.51 -1.32 0.93 -1.07 0.00 0.00 179.97 179.01 3i4k h GLU 190 N 0.15 0.36 0.00 0.04 5.08 -1.38 -3.41 114.58 115.41 3i4k h GLU 190 Ca 0.02 -0.61 -0.21 0.00 -1.00 0.00 0.00 59.36 57.56 3i4k h GLU 190 Cb 0.69 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 3i4k h GLU 190 CO 0.05 1.29 -1.81 0.28 -1.00 0.00 0.00 179.01 177.83 3i4k n VAL 191 N -3.59 0.81 -0.69 3.13 0.31 -0.32 -4.72 118.33 113.27 3i4k n VAL 191 Ca -0.11 -0.37 0.52 0.00 -0.01 0.00 0.00 64.34 64.37 3i4k n VAL 191 Cb 1.05 -0.91 0.80 0.00 -0.91 0.00 0.00 33.84 33.87 3i4k n VAL 191 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i4k n GLY 192 N 2.64 -0.97 0.21 2.92 0.00 0.28 -0.29 105.19 109.99 3i4k n GLY 192 Ca -0.23 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.48 3i4k n GLY 192 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i4k h ASP 193 N 0.00 0.22 0.18 1.61 3.32 -1.83 -3.30 116.42 116.61 3i4k h ASP 193 Ca 0.93 -0.07 -0.35 0.00 0.02 0.00 0.00 57.03 57.56 3i4k h ASP 193 Cb 3.67 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 43.12 3i4k h ASP 193 CO -0.05 0.50 -2.05 0.54 -1.72 0.00 0.00 179.24 176.47 3i4k n ARG 194 N -4.14 0.71 -4.56 3.56 1.74 0.60 -5.03 116.66 109.54 3i4k n ARG 194 Ca -0.01 0.23 -0.26 0.00 -0.77 0.00 0.00 57.85 57.03 3i4k n ARG 194 Cb 0.38 -1.68 -0.09 0.00 -1.02 0.00 0.00 32.46 30.05 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 -2.56 1.00 -0.22 1.55 -7.23 -1.14 -5.02 120.40 106.78 3i4k s VAL 195 Ca -0.19 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 57.81 3i4k s VAL 195 Cb 0.07 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 3i4k s VAL 195 CO 0.76 0.00 0.47 -0.55 -0.31 0.00 0.00 175.10 175.47 3i4k s SER 196 N -3.65 6.46 -0.15 4.85 0.15 -1.02 -4.59 113.70 115.75 3i4k s SER 196 Ca 0.24 0.55 -0.05 0.00 0.70 0.00 0.00 55.95 57.39 3i4k s SER 196 Cb 0.05 -2.26 -0.03 0.00 -1.71 0.00 0.00 66.02 62.06 3i4k s SER 196 CO 0.12 -0.17 0.01 -0.76 1.20 0.00 0.00 173.24 173.63 3i4k s LEU 197 N 1.74 3.51 0.24 3.45 1.43 -1.26 -0.44 118.68 127.35 3i4k s LEU 197 Ca 0.21 0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 3i4k s LEU 197 Cb -0.15 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 3i4k s LEU 197 CO 0.09 0.21 0.01 -0.13 0.23 0.00 0.00 176.35 176.76 3i4k s ARG 198 N 0.11 1.35 0.09 1.70 3.00 -0.45 -1.01 118.95 123.74 3i4k s ARG 198 Ca 0.02 -1.69 0.00 0.00 0.00 0.00 0.00 55.73 54.06 3i4k s ARG 198 Cb -0.13 -0.58 -0.04 0.00 0.00 0.00 0.00 34.95 34.20 3i4k s ARG 198 CO 0.02 -0.12 -0.03 0.96 0.00 0.00 0.00 175.30 176.13 3i4k s ILE 199 N -3.46 0.42 -0.12 1.52 -5.25 -0.75 -0.79 121.20 112.77 3i4k s ILE 199 Ca 0.29 -1.89 -0.05 0.00 -0.99 0.00 0.00 60.65 58.01 3i4k s ILE 199 Cb 0.06 -1.73 0.05 0.00 2.95 0.00 0.00 42.46 43.79 3i4k s ILE 199 CO 0.09 -0.81 0.26 -0.62 -1.79 0.00 0.00 174.94 172.07 3i4k s ASP 200 N -3.01 -0.03 0.00 4.36 -1.08 -0.88 -0.79 116.67 115.24 3i4k s ASP 200 Ca 0.13 0.57 0.10 0.00 -0.52 0.00 0.00 52.55 52.83 3i4k s ASP 200 Cb 0.07 0.54 0.22 0.00 -1.46 0.00 0.00 42.92 42.29 3i4k s ASP 200 CO -0.05 -0.20 1.12 -0.38 0.52 0.00 0.00 175.17 176.18 3i4k n ILE 201 N 4.68 0.72 -4.17 4.11 5.41 -1.15 -4.32 119.36 124.63 3i4k n ILE 201 Ca -0.18 -0.86 -0.31 0.00 1.00 0.00 0.00 62.75 62.40 3i4k n ILE 201 Cb 0.52 0.70 -0.05 0.00 -0.71 0.00 0.00 39.64 40.10 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 0.46 -1.04 -1.87 4.38 3.02 -1.01 -0.66 115.26 118.54 3i4k n ASN 202 Ca 0.09 -1.09 -0.14 0.00 -0.03 0.00 0.00 54.58 53.41 3i4k n ASN 202 Cb 0.37 -2.50 -0.04 0.00 -0.61 0.00 0.00 39.78 37.00 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 -4.41 -0.45 0.02 5.41 0.00 0.63 -4.85 120.51 116.86 3i4k n ALA 203 Ca -0.16 0.18 0.10 0.00 0.00 0.00 0.00 53.44 53.56 3i4k n ALA 203 Cb 0.61 -1.57 0.28 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.35 2.47 -4.28 0.00 5.12 0.16 -3.85 116.66 113.93 3i4k n ARG 204 Ca -0.16 -2.28 -0.32 0.00 -1.93 0.00 0.00 57.85 53.16 3i4k n ARG 204 Cb 0.54 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 30.26 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 -1.19 3.04 0.72 -1.55 0.52 -0.93 -5.01 118.94 114.54 3i4k s TRP 205 Ca 0.42 0.05 -0.09 0.00 0.02 0.00 0.00 56.10 56.51 3i4k s TRP 205 Cb 0.22 -1.64 0.06 0.00 -1.15 0.00 0.00 33.47 30.96 3i4k s TRP 205 CO 0.29 0.45 1.06 0.16 0.02 0.00 0.00 176.95 178.93 3i4k s ASP 206 N -1.65 4.88 0.15 2.95 1.47 -1.26 -4.20 116.67 119.00 3i4k s ASP 206 Ca 0.20 0.65 -0.18 0.00 1.18 0.00 0.00 52.55 54.40 3i4k s ASP 206 Cb -0.11 -1.31 0.05 0.00 -0.34 0.00 0.00 42.92 41.21 3i4k s ASP 206 CO 0.11 -1.60 1.68 -0.09 0.68 0.00 0.00 175.17 175.96 3i4k h ARG 207 N -0.69 0.01 -0.30 2.11 2.43 -1.99 -1.86 114.38 114.09 3i4k h ARG 207 Ca -0.45 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.73 3i4k h ARG 207 Cb 1.31 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 3i4k h ARG 207 CO 0.62 0.01 0.17 -0.09 -1.51 0.00 0.00 179.97 179.17 3i4k h ARG 208 N 0.01 0.35 -0.83 0.20 2.43 -1.99 -1.29 114.38 113.25 3i4k h ARG 208 Ca 0.16 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 3i4k h ARG 208 Cb 0.24 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 3i4k h ARG 208 CO -0.33 0.23 0.52 1.15 -1.51 0.00 0.00 179.97 180.03 3i4k h THR 209 N 0.36 1.07 -0.24 0.20 2.02 -1.88 -1.31 112.91 113.12 3i4k h THR 209 Ca 0.12 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 3i4k h THR 209 Cb 0.00 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 3i4k h THR 209 CO -0.06 0.18 -0.04 0.00 0.37 0.00 0.00 175.52 175.97 3i4k h ALA 210 N 1.38 0.33 0.00 6.16 0.00 -0.93 -1.25 119.26 124.95 3i4k h ALA 210 Ca 0.35 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3i4k h ALA 210 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3i4k h ALA 210 CO -0.15 0.11 -0.24 -0.07 0.00 0.00 0.00 179.25 178.89 3i4k h LEU 211 N 0.21 0.00 0.22 0.00 3.38 -1.00 -1.66 115.31 116.46 3i4k h LEU 211 Ca 0.06 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.71 3i4k h LEU 211 Cb 0.48 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.27 3i4k h LEU 211 CO 0.02 0.24 -1.40 -0.74 0.09 0.00 0.00 178.44 176.65 3i4k h HIS 212 N 0.00 0.97 0.02 1.13 2.76 -1.05 -3.41 115.15 115.58 3i4k h HIS 212 Ca -0.00 -0.69 -0.37 0.00 -2.20 0.00 0.00 60.37 57.10 3i4k h HIS 212 Cb 0.53 -0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.38 3i4k h HIS 212 CO 0.00 1.54 -2.33 0.66 -1.30 0.00 0.00 177.93 176.50 3i4k n TYR 213 N -3.76 0.26 -0.31 5.26 4.01 -0.49 -4.50 117.16 117.62 3i4k n TYR 213 Ca -0.16 0.07 0.19 0.00 -0.16 0.00 0.00 57.90 57.84 3i4k n TYR 213 Cb 1.07 -1.04 0.46 0.00 -0.31 0.00 0.00 39.34 39.52 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 0.01 0.52 -1.32 7.72 3.38 -1.51 0.13 115.31 124.24 3i4k h LEU 214 Ca -0.53 0.08 0.14 0.00 0.09 0.00 0.00 57.88 57.66 3i4k h LEU 214 Cb 2.03 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.70 3i4k h LEU 214 CO -0.02 0.15 0.56 -0.65 0.09 0.00 0.00 178.44 178.57 3i4k h PRO 215 N 0.49 0.66 -0.87 1.13 0.11 -1.79 0.51 132.00 132.23 3i4k h PRO 215 Ca 0.56 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.61 3i4k h PRO 215 Cb 1.28 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 3i4k h PRO 215 CO -0.30 0.43 0.44 0.82 -0.21 0.00 0.00 178.00 179.19 3i4k h ILE 216 N 0.68 1.26 -0.20 4.15 2.04 -1.24 -0.47 117.51 123.72 3i4k h ILE 216 Ca 0.43 -0.71 -0.18 0.00 1.00 0.00 0.00 64.86 65.40 3i4k h ILE 216 Cb 0.69 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3i4k h ILE 216 CO -0.19 0.31 -0.60 -0.07 0.00 0.00 0.00 178.15 177.60 3i4k h LEU 217 N 1.24 0.77 -0.22 1.44 3.38 -0.98 -1.95 115.31 118.99 3i4k h LEU 217 Ca 0.30 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3i4k h LEU 217 Cb 0.09 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3i4k h LEU 217 CO -0.04 1.20 0.02 0.00 0.09 0.00 0.00 178.44 179.71 3i4k h ALA 218 N 0.81 0.21 -0.73 1.53 0.00 -0.54 -1.04 119.26 119.50 3i4k h ALA 218 Ca -0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3i4k h ALA 218 Cb 1.19 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3i4k h ALA 218 CO 0.12 -0.40 0.34 1.49 0.00 0.00 0.00 179.25 180.80 3i4k h GLU 219 N 0.10 1.05 0.00 0.00 4.81 -1.05 -2.21 114.58 117.28 3i4k h GLU 219 Ca 0.10 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3i4k h GLU 219 Cb 0.11 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3i4k h GLU 219 CO -0.15 0.81 0.00 0.00 -0.73 0.00 0.00 179.01 178.94 3i4k n ALA 220 N -2.43 1.85 0.00 2.92 0.00 -0.74 -4.90 120.51 117.20 3i4k n ALA 220 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3i4k n ALA 220 Cb 0.14 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3i4k n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4k n GLY 221 N 0.41 1.50 3.70 0.00 0.00 -0.51 -4.36 105.19 105.92 3i4k n GLY 221 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 3i4k n GLY 221 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i4k n VAL 222 N -0.21 0.13 0.95 1.61 0.31 -0.54 -4.72 118.33 115.86 3i4k n VAL 222 Ca 0.00 -0.02 0.11 0.00 -0.01 0.00 0.00 64.34 64.41 3i4k n VAL 222 Cb 0.00 -1.90 0.03 0.00 -0.91 0.00 0.00 33.84 31.06 3i4k n VAL 222 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i4k n GLU 223 N 4.42 1.62 -3.69 5.55 1.02 -0.18 -4.48 120.64 124.90 3i4k n GLU 223 Ca 0.17 -1.30 -0.11 0.00 -0.02 0.00 0.00 57.16 55.90 3i4k n GLU 223 Cb 0.34 -1.44 -0.09 0.00 -0.02 0.00 0.00 31.44 30.22 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 -2.22 -0.15 -0.37 -4.62 2.96 -1.25 -4.08 118.68 108.95 3i4k s LEU 224 Ca 0.21 1.05 -0.01 0.00 -0.22 0.00 0.00 54.13 55.16 3i4k s LEU 224 Cb 0.18 1.69 0.10 0.00 0.50 0.00 0.00 46.19 48.66 3i4k s LEU 224 CO 0.45 -0.19 0.13 -0.36 -1.32 0.00 0.00 176.35 175.06 3i4k s PHE 225 N 0.90 3.57 -0.01 5.38 0.08 -0.50 -1.82 117.98 125.59 3i4k s PHE 225 Ca -0.05 -2.46 -0.25 0.00 0.12 0.00 0.00 56.93 54.30 3i4k s PHE 225 Cb -0.06 -2.96 -0.04 0.00 -0.57 0.00 0.00 43.02 39.39 3i4k s PHE 225 CO -0.07 -0.94 0.75 -2.00 -0.10 0.00 0.00 175.22 172.85 3i4k s GLU 226 N 1.11 4.47 0.00 0.44 2.12 0.03 -4.33 118.70 122.53 3i4k s GLU 226 Ca 0.06 1.00 0.00 0.00 0.36 0.00 0.00 54.97 56.40 3i4k s GLU 226 Cb -0.21 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.77 3i4k s GLU 226 CO -0.05 0.16 0.00 0.94 -0.54 0.00 0.00 175.26 175.77 3i4k n GLN 227 N 3.34 0.00 0.14 4.30 -0.06 -1.26 -2.95 117.38 120.89 3i4k n GLN 227 Ca -0.01 0.00 0.03 0.00 -2.00 0.00 0.00 57.00 55.02 3i4k n GLN 227 Cb 0.51 0.00 0.04 0.00 -4.06 0.00 0.00 30.24 26.73 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 0.56 0.00 -5.37 3.69 0.13 -1.90 0.19 132.00 129.30 3i4k h PRO 228 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 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 0.49 -0.56 0.95 -0.23 0.00 0.00 178.00 178.64 3i4k s THR 229 N -2.99 1.43 0.22 1.56 -4.23 -1.26 -2.20 115.64 108.17 3i4k s THR 229 Ca 0.04 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.25 3i4k s THR 229 Cb 0.08 -2.61 -0.16 0.00 1.34 0.00 0.00 72.50 71.14 3i4k s THR 229 CO 0.74 0.00 0.86 -2.65 -0.54 0.00 0.00 174.62 173.03 3i4k n PRO 230 N -1.02 0.74 -0.34 3.99 -0.02 -1.25 -4.18 135.00 132.92 3i4k n PRO 230 Ca -0.09 0.26 0.08 0.00 -2.02 0.00 0.00 63.50 61.72 3i4k n PRO 230 Cb 0.67 -1.52 0.25 0.00 -0.02 0.00 0.00 33.50 32.87 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 1.93 1.48 0.00 3.55 0.00 -1.89 -2.46 119.26 121.88 3i4k h ALA 231 Ca -0.37 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3i4k h ALA 231 Cb 1.38 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3i4k h ALA 231 CO 0.61 0.12 -0.15 0.38 0.00 0.00 0.00 179.25 180.21 3i4k h ASP 232 N 0.88 0.00 -2.38 0.00 2.03 -1.92 -3.41 116.42 111.63 3i4k h ASP 232 Ca 0.50 0.00 -0.76 0.00 -0.73 0.00 0.00 57.03 56.04 3i4k h ASP 232 Cb 0.58 0.00 -0.20 0.00 -0.83 0.00 0.00 39.33 38.88 3i4k h ASP 232 CO -0.30 0.15 1.25 -0.67 -1.03 0.00 0.00 179.24 178.64 3i4k n ASP 233 N -3.41 5.35 0.12 4.15 2.03 -0.93 -4.82 116.55 119.05 3i4k n ASP 233 Ca -0.01 -3.04 -0.00 0.00 0.52 0.00 0.00 54.79 52.26 3i4k n ASP 233 Cb 0.34 -1.49 0.28 0.00 -0.72 0.00 0.00 41.12 39.53 3i4k n ASP 233 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3i4k h LEU 234 N 8.45 0.17 -1.07 -2.67 3.38 -1.83 -2.89 115.31 118.85 3i4k h LEU 234 Ca 0.29 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 3i4k h LEU 234 Cb 0.81 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3i4k h LEU 234 CO 1.27 0.53 0.20 -0.33 0.09 0.00 0.00 178.44 180.19 3i4k h GLU 235 N 0.15 0.86 -0.55 1.13 5.08 -1.91 -2.34 114.58 117.01 3i4k h GLU 235 Ca 0.02 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 3i4k h GLU 235 Cb 0.71 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3i4k h GLU 235 CO 0.05 0.73 -0.01 1.15 -1.00 0.00 0.00 179.01 179.93 3i4k h THR 236 N 0.84 1.26 -0.68 1.13 2.02 -1.93 0.12 112.91 115.67 3i4k h THR 236 Ca 0.19 -1.12 0.01 0.00 0.77 0.00 0.00 66.41 66.27 3i4k h THR 236 Cb 0.22 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 3i4k h THR 236 CO -0.01 0.40 0.45 -0.07 0.37 0.00 0.00 175.52 176.66 3i4k h LEU 237 N 0.87 0.77 -0.32 2.58 3.38 -1.38 -0.31 115.31 120.91 3i4k h LEU 237 Ca 0.16 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3i4k h LEU 237 Cb 0.53 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3i4k h LEU 237 CO 0.03 0.55 0.08 -0.09 0.09 0.00 0.00 178.44 179.10 3i4k h ARG 238 N 0.91 0.51 -0.50 1.13 9.65 -1.00 -3.06 114.38 122.02 3i4k h ARG 238 Ca 0.26 -0.12 -0.05 0.00 -1.10 0.00 0.00 59.98 58.97 3i4k h ARG 238 Cb -0.08 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.41 3i4k h ARG 238 CO -0.07 0.57 0.12 1.49 2.80 0.00 0.00 179.97 184.89 3i4k h GLU 239 N 0.35 0.75 -0.58 0.20 4.57 -0.27 -1.02 114.58 118.59 3i4k h GLU 239 Ca 0.10 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 3i4k h GLU 239 Cb 0.29 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 3i4k h GLU 239 CO 0.00 0.68 0.14 -0.84 -1.18 0.00 0.00 179.01 177.81 3i4k h ILE 240 N 0.73 1.23 -0.22 2.32 3.07 -1.00 -0.56 117.51 123.08 3i4k h ILE 240 Ca 0.16 -0.85 -0.15 0.00 1.55 0.00 0.00 64.86 65.57 3i4k h ILE 240 Cb 0.27 0.65 -0.01 0.00 -0.27 0.00 0.00 36.82 37.46 3i4k h ILE 240 CO -0.00 0.32 -0.47 0.74 -1.05 0.00 0.00 178.15 177.68 3i4k h THR 241 N 0.86 1.31 -0.70 0.16 2.02 -1.33 -1.47 112.91 113.75 3i4k h THR 241 Ca 0.19 -1.68 -0.03 0.00 0.77 0.00 0.00 66.41 65.65 3i4k h THR 241 Cb 0.31 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 3i4k h THR 241 CO -0.00 0.53 0.31 0.03 0.37 0.00 0.00 175.52 176.75 3i4k h ARG 242 N 0.46 1.01 -0.00 6.66 3.08 -0.41 0.48 114.38 125.66 3i4k h ARG 242 Ca 0.03 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3i4k h ARG 242 Cb 1.00 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.87 3i4k h ARG 242 CO 0.09 0.80 -0.43 0.54 -1.07 0.00 0.00 179.97 179.90 3i4k n ARG 243 N -4.32 0.29 0.00 0.04 1.74 -0.29 -4.37 116.66 109.76 3i4k n ARG 243 Ca 0.06 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 3i4k n ARG 243 Cb 0.16 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3i4k n ARG 243 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3i4k n THR 244 N -1.20 0.00 -1.69 0.55 -2.24 -0.57 -4.96 114.28 104.16 3i4k n THR 244 Ca 0.08 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.72 3i4k n THR 244 Cb 0.34 0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.18 -4.48 -4.44 3.42 3.02 0.17 -5.00 115.26 106.77 3i4k n ASN 245 Ca 0.00 0.21 -0.32 0.00 -0.03 0.00 0.00 54.58 54.44 3i4k n ASN 245 Cb 0.06 -3.34 -0.14 0.00 -0.61 0.00 0.00 39.78 35.74 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 -2.56 2.84 0.62 2.41 0.11 -1.26 -5.08 120.40 117.48 3i4k s VAL 246 Ca 0.00 -0.81 -0.19 0.00 -2.93 0.00 0.00 61.98 58.05 3i4k s VAL 246 Cb 0.00 -2.09 -0.03 0.00 -1.53 0.00 0.00 36.38 32.73 3i4k s VAL 246 CO 0.00 0.59 1.22 -1.20 -3.33 0.00 0.00 175.10 172.38 3i4k n SER 247 N 2.34 1.84 0.00 3.54 7.64 -1.26 -4.44 113.62 123.29 3i4k n SER 247 Ca -0.17 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.56 3i4k n SER 247 Cb 0.52 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 3i4k n SER 247 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3i4k n VAL 248 N -1.70 0.00 -3.74 0.44 0.31 -1.26 -1.41 118.33 110.97 3i4k n VAL 248 Ca 0.14 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.35 3i4k n VAL 248 Cb 0.47 -0.07 -0.13 0.00 -0.91 0.00 0.00 33.84 33.20 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 -2.02 -0.52 0.00 3.52 0.00 -0.26 -2.24 121.76 120.23 3i4k s ALA 250 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.85 3i4k s ALA 250 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.56 3i4k s ALA 250 CO 0.00 -0.18 0.00 -3.47 0.00 0.00 0.00 175.76 172.11 3i4k n ASP 251 N 3.99 0.00 0.29 0.00 2.03 -1.26 -0.50 116.55 121.11 3i4k n ASP 251 Ca -0.23 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.24 3i4k n ASP 251 Cb 0.54 0.00 0.91 0.00 -0.72 0.00 0.00 41.12 41.85 3i4k n ASP 251 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3i4k h GLU 252 N 0.00 0.00 0.00 -0.67 9.09 -1.95 -1.19 114.58 119.86 3i4k h GLU 252 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.37 3i4k h GLU 252 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 3i4k h GLU 252 CO 0.00 0.03 -0.19 0.77 0.05 0.00 0.00 179.01 179.67 3i4k h SER 253 N 0.00 0.00 -3.68 3.06 0.02 -1.88 -3.41 113.55 107.67 3i4k h SER 253 Ca -0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 3i4k h SER 253 Cb 0.11 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.26 3i4k h SER 253 CO 0.00 0.19 -0.75 -0.69 -1.14 0.00 0.00 176.83 174.45 3i4k s VAL 254 N -3.95 2.06 -0.09 2.27 1.01 -0.45 -4.79 120.40 116.46 3i4k s VAL 254 Ca -0.01 -2.00 -0.02 0.00 0.00 0.00 0.00 61.98 59.95 3i4k s VAL 254 Cb 0.12 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 3i4k s VAL 254 CO 0.62 -0.43 -0.10 0.79 0.00 0.00 0.00 175.10 175.98 3i4k n TRP 255 N 4.38 0.00 -3.96 5.22 7.02 -1.26 -4.83 117.44 124.01 3i4k n TRP 255 Ca -0.02 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.24 3i4k n TRP 255 Cb 0.42 -0.34 -0.05 0.00 -2.42 0.00 0.00 31.31 28.92 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 -2.18 3.42 0.32 -0.99 -4.23 -1.26 -4.06 115.64 106.66 3i4k s THR 256 Ca -0.12 -1.52 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 3i4k s THR 256 Cb 0.04 -3.11 0.27 0.00 1.34 0.00 0.00 72.50 71.04 3i4k s THR 256 CO 0.19 -0.20 1.96 -0.65 -0.54 0.00 0.00 174.62 175.37 3i4k h PRO 257 N 1.41 0.94 -0.67 3.99 0.11 -1.93 -0.46 132.00 135.39 3i4k h PRO 257 Ca -0.45 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 3i4k h PRO 257 Cb 1.25 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3i4k h PRO 257 CO 0.60 0.62 0.19 0.00 -0.21 0.00 0.00 178.00 179.20 3i4k h ALA 258 N 1.54 0.88 -0.22 -0.75 0.00 -1.98 -0.77 119.26 117.95 3i4k h ALA 258 Ca 0.32 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3i4k h ALA 258 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3i4k h ALA 258 CO -0.10 0.58 -0.27 0.93 0.00 0.00 0.00 179.25 180.40 3i4k h GLU 259 N 0.99 0.43 -0.47 0.00 5.08 -1.66 0.24 114.58 119.18 3i4k h GLU 259 Ca 0.21 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 3i4k h GLU 259 Cb 0.33 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3i4k h GLU 259 CO -0.00 0.66 -0.03 0.00 -1.00 0.00 0.00 179.01 178.65 3i4k h ALA 260 N 1.34 0.63 -0.88 3.43 0.00 -0.70 -1.53 119.26 121.56 3i4k h ALA 260 Ca 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3i4k h ALA 260 Cb 0.67 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3i4k h ALA 260 CO 0.05 0.46 0.50 1.25 0.00 0.00 0.00 179.25 181.50 3i4k h LEU 261 N 0.69 1.08 -0.91 0.00 6.46 -0.65 -1.01 115.31 120.98 3i4k h LEU 261 Ca 0.13 -0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 57.75 3i4k h LEU 261 Cb 0.54 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.17 3i4k h LEU 261 CO 0.03 0.86 0.18 0.00 -0.62 0.00 0.00 178.44 178.89 3i4k h ALA 262 N 1.32 1.12 -0.61 1.25 0.00 -0.58 0.03 119.26 121.78 3i4k h ALA 262 Ca 0.31 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3i4k h ALA 262 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3i4k h ALA 262 CO -0.05 0.60 0.02 0.28 0.00 0.00 0.00 179.25 180.10 3i4k h VAL 263 N 0.95 1.26 -0.03 0.00 2.07 -0.63 -1.14 116.25 118.73 3i4k h VAL 263 Ca 0.21 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 3i4k h VAL 263 Cb 0.30 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3i4k h VAL 263 CO -0.01 0.41 0.01 0.58 0.02 0.00 0.00 177.57 178.59 3i4k h VAL 264 N 0.98 1.13 -0.57 2.57 2.07 -0.57 -0.69 116.25 121.16 3i4k h VAL 264 Ca 0.18 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3i4k h VAL 264 Cb 0.53 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3i4k h VAL 264 CO 0.03 0.10 0.35 0.11 0.02 0.00 0.00 177.57 178.18 3i4k h LYS 265 N -0.10 0.76 -0.01 1.57 1.57 -0.86 -1.96 116.57 117.55 3i4k h LYS 265 Ca 0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3i4k h LYS 265 Cb 0.15 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3i4k h LYS 265 CO -0.00 0.53 -0.04 0.00 -0.57 0.00 0.00 179.45 179.36 3i4k n ALA 266 N -2.45 2.67 -4.09 3.86 0.00 -0.44 -4.92 120.51 115.13 3i4k n ALA 266 Ca 0.05 -0.41 -0.32 0.00 0.00 0.00 0.00 53.44 52.76 3i4k n ALA 266 Cb 0.07 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.09 -3.68 0.23 0.00 6.02 -0.37 -4.84 117.38 114.65 3i4k n GLN 267 Ca 0.18 0.43 0.13 0.00 -0.01 0.00 0.00 57.00 57.72 3i4k n GLN 267 Cb 0.33 -5.04 0.31 0.00 1.02 0.00 0.00 30.24 26.87 3i4k n GLN 267 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i4k h ALA 268 N 0.91 0.98 -1.91 -1.58 0.00 -1.55 -3.42 119.26 112.69 3i4k h ALA 268 Ca -0.60 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 3i4k h ALA 268 Cb 1.38 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.95 3i4k h ALA 268 CO 0.72 0.06 0.23 0.00 0.00 0.00 0.00 179.25 180.26 3i4k s ALA 269 N -3.34 -1.81 -0.34 0.00 0.00 -1.26 -3.87 121.76 111.14 3i4k s ALA 269 Ca 0.05 1.73 0.20 0.00 0.00 0.00 0.00 51.96 53.94 3i4k s ALA 269 Cb 0.07 -0.77 0.23 0.00 0.00 0.00 0.00 23.12 22.65 3i4k s ALA 269 CO 0.64 -0.33 1.54 -0.44 0.00 0.00 0.00 175.76 177.16 3i4k h ASP 270 N 4.01 0.00 -4.37 0.00 3.45 -1.80 -3.46 116.42 114.25 3i4k h ASP 270 Ca -0.27 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 56.88 3i4k h ASP 270 Cb 1.16 0.00 -0.25 0.00 -0.56 0.00 0.00 39.33 39.68 3i4k h ASP 270 CO 0.20 0.18 -0.75 -0.69 -1.57 0.00 0.00 179.24 176.61 3i4k s VAL 271 N -3.12 0.50 -0.11 -1.35 1.01 -1.11 -1.12 120.40 115.11 3i4k s VAL 271 Ca 0.06 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3i4k s VAL 271 Cb 0.06 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 3i4k s VAL 271 CO 0.70 -0.15 -0.14 -0.63 0.00 0.00 0.00 175.10 174.88 3i4k s ILE 272 N -0.80 2.96 -0.79 2.22 1.01 0.11 -1.11 121.20 124.81 3i4k s ILE 272 Ca -0.04 -0.71 -0.24 0.00 0.00 0.00 0.00 60.65 59.66 3i4k s ILE 272 Cb -0.06 -2.22 0.06 0.00 0.01 0.00 0.00 42.46 40.25 3i4k s ILE 272 CO 0.00 0.54 1.20 0.00 0.00 0.00 0.00 174.94 176.69 3i4k s ALA 273 N 0.09 2.91 -0.40 9.38 0.00 0.35 -1.19 121.76 132.89 3i4k s ALA 273 Ca -0.06 -1.82 -0.25 0.00 0.00 0.00 0.00 51.96 49.83 3i4k s ALA 273 Cb -0.15 -4.17 0.02 0.00 0.00 0.00 0.00 23.12 18.82 3i4k s ALA 273 CO 0.05 -3.17 0.89 -1.17 0.00 0.00 0.00 175.76 172.36 3i4k s LEU 274 N 4.79 4.03 -0.14 0.00 1.98 -0.18 -4.80 118.68 124.37 3i4k s LEU 274 Ca 0.33 0.35 0.00 0.00 -2.89 0.00 0.00 54.13 51.93 3i4k s LEU 274 Cb -0.09 -3.18 0.02 0.00 0.66 0.00 0.00 46.19 43.60 3i4k s LEU 274 CO 0.06 -0.90 -0.12 -0.54 -1.89 0.00 0.00 176.35 172.96 3i4k s LYS 275 N 3.49 2.07 0.57 1.98 1.02 -1.26 -0.81 119.74 126.79 3i4k s LYS 275 Ca 0.36 -0.47 0.26 0.00 0.02 0.00 0.00 55.97 56.14 3i4k s LYS 275 Cb -0.12 -1.94 1.65 0.00 -0.52 0.00 0.00 37.83 36.90 3i4k s LYS 275 CO 0.21 -0.24 2.22 1.79 -0.92 0.00 0.00 175.35 178.41 3i4k h THR 276 N 6.09 0.67 0.01 2.17 1.35 -1.88 -1.31 112.91 120.02 3i4k h THR 276 Ca -0.36 -0.02 -0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3i4k h THR 276 Cb 1.14 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3i4k h THR 276 CO 0.49 0.01 -0.01 0.71 -0.25 0.00 0.00 175.52 176.47 3i4k h THR 277 N 0.00 1.53 -0.60 6.82 1.35 -1.93 -1.45 112.91 118.63 3i4k h THR 277 Ca -0.00 -1.73 -0.04 0.00 -0.55 0.00 0.00 66.41 64.09 3i4k h THR 277 Cb 0.01 2.68 -0.03 0.00 -1.73 0.00 0.00 68.15 69.09 3i4k h THR 277 CO 0.00 0.44 0.21 0.50 -0.25 0.00 0.00 175.52 176.42 3i4k h LYS 278 N -0.77 0.90 0.00 4.72 3.64 -1.78 -3.00 116.57 120.28 3i4k h LYS 278 Ca -0.00 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3i4k h LYS 278 Cb 0.73 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3i4k h LYS 278 CO 0.00 0.76 0.00 0.72 -2.27 0.00 0.00 179.45 178.66 3i4k n HIS 279 N -4.30 0.56 -0.15 1.91 8.25 -0.53 -4.40 115.22 116.56 3i4k n HIS 279 Ca 0.05 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 3i4k n HIS 279 Cb 0.19 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.49 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 0.70 0.97 0.00 -1.41 0.00 -1.13 -4.67 105.19 99.65 3i4k n GLY 280 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.06 1.94 0.24 -0.02 0.00 -0.55 -3.68 105.19 101.06 3i4k n GLY 281 Ca 0.00 -2.14 -0.07 0.00 0.00 0.00 0.00 46.02 43.81 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 0.66 -0.01 0.99 3.38 -1.88 -1.70 115.31 116.75 3i4k h LEU 282 Ca 0.00 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3i4k h LEU 282 Cb 0.00 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3i4k h LEU 282 CO 0.00 0.94 0.01 -0.07 0.09 0.00 0.00 178.44 179.41 3i4k h LEU 283 N 0.54 0.02 -0.91 1.67 3.38 -1.96 -1.96 115.31 116.08 3i4k h LEU 283 Ca 0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3i4k h LEU 283 Cb 0.83 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 3i4k h LEU 283 CO 0.07 0.12 0.51 -0.33 0.09 0.00 0.00 178.44 178.90 3i4k h GLU 284 N -0.09 1.27 -0.90 1.13 4.39 -1.82 -2.20 114.58 116.36 3i4k h GLU 284 Ca 0.00 -0.14 0.09 0.00 0.34 0.00 0.00 59.36 59.65 3i4k h GLU 284 Cb 0.11 -0.25 -0.06 0.00 -0.10 0.00 0.00 28.75 28.45 3i4k h GLU 284 CO -0.00 0.92 0.58 0.77 -1.16 0.00 0.00 179.01 180.12 3i4k h SER 285 N 1.28 0.84 -0.34 1.42 0.02 -0.97 0.28 113.55 116.08 3i4k h SER 285 Ca 0.32 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.23 3i4k h SER 285 Cb 0.02 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3i4k h SER 285 CO -0.05 0.51 0.02 0.11 -1.14 0.00 0.00 176.83 176.27 3i4k h LYS 286 N 0.93 0.68 -0.38 3.45 1.79 -0.72 -1.77 116.57 120.55 3i4k h LYS 286 Ca 0.41 -0.16 -0.05 0.00 -2.18 0.00 0.00 60.65 58.67 3i4k h LYS 286 Cb 0.34 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 3i4k h LYS 286 CO -0.17 0.68 0.04 0.87 -1.08 0.00 0.00 179.45 179.79 3i4k h LYS 287 N 0.65 0.65 -0.39 3.15 1.57 -0.79 -0.75 116.57 120.65 3i4k h LYS 287 Ca 0.13 -0.19 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3i4k h LYS 287 Cb 0.37 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 3i4k h LYS 287 CO 0.01 0.72 0.15 0.82 -0.57 0.00 0.00 179.45 180.58 3i4k h ILE 288 N 0.48 0.90 -0.61 1.86 1.08 -0.94 -1.93 117.51 118.35 3i4k h ILE 288 Ca 0.11 -0.11 -0.00 0.00 -0.39 0.00 0.00 64.86 64.48 3i4k h ILE 288 Cb 0.41 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 3i4k h ILE 288 CO 0.01 0.06 0.38 0.00 -0.69 0.00 0.00 178.15 177.91 3i4k h ALA 289 N 1.24 0.77 -0.45 1.87 0.00 -1.11 -0.94 119.26 120.64 3i4k h ALA 289 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3i4k h ALA 289 Cb 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3i4k h ALA 289 CO -0.17 0.24 0.29 0.00 0.00 0.00 0.00 179.25 179.60 3i4k h ALA 290 N 1.20 0.58 -0.13 0.00 0.00 -0.74 -1.21 119.26 118.95 3i4k h ALA 290 Ca 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3i4k h ALA 290 Cb -0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3i4k h ALA 290 CO -0.04 0.05 -0.02 0.82 0.00 0.00 0.00 179.25 180.06 3i4k h ILE 291 N 0.61 1.28 -0.19 0.00 2.04 -1.19 -1.90 117.51 118.15 3i4k h ILE 291 Ca 0.16 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.14 3i4k h ILE 291 Cb -0.03 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 3i4k h ILE 291 CO -0.03 0.26 0.02 0.00 0.00 0.00 0.00 178.15 178.40 3i4k h ALA 292 N 0.71 0.18 -0.85 1.87 0.00 -1.10 -2.58 119.26 117.49 3i4k h ALA 292 Ca 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3i4k h ALA 292 Cb 0.42 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3i4k h ALA 292 CO 0.01 -0.41 0.48 1.49 0.00 0.00 0.00 179.25 180.82 3i4k h GLU 293 N 0.09 1.17 -0.36 0.00 4.81 -1.20 0.17 114.58 119.26 3i4k h GLU 293 Ca 0.09 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3i4k h GLU 293 Cb 0.10 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3i4k h GLU 293 CO -0.13 0.85 0.09 0.00 -0.73 0.00 0.00 179.01 179.09 3i4k h ALA 294 N 1.26 1.49 -0.46 2.92 0.00 -1.13 -1.96 119.26 121.38 3i4k h ALA 294 Ca 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i4k h ALA 294 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3i4k h ALA 294 CO -0.05 0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.99 3i4k n GLY 295 N -1.09 1.18 2.62 0.00 0.00 -0.89 -4.93 105.19 102.10 3i4k n GLY 295 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 1.21 0.56 3.80 -0.02 0.00 -0.74 -5.01 105.19 104.99 3i4k n GLY 296 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 4.41 0.30 0.99 1.43 0.54 -4.96 118.68 121.39 3i4k s LEU 297 Ca 0.00 1.51 -0.14 0.00 -1.03 0.00 0.00 54.13 54.47 3i4k s LEU 297 Cb 0.00 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.60 3i4k s LEU 297 CO 0.00 0.07 0.70 0.00 0.23 0.00 0.00 176.35 177.35 3i4k s ALA 298 N -1.43 3.38 -0.08 4.21 0.00 -0.28 -3.81 121.76 123.75 3i4k s ALA 298 Ca 0.41 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.37 3i4k s ALA 298 Cb -0.18 -2.70 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 3i4k s ALA 298 CO 0.22 0.37 -0.13 0.00 0.00 0.00 0.00 175.76 176.22 3i4k s HIS 300 N -0.36 2.95 -1.18 0.00 5.04 -0.33 -2.21 115.29 119.19 3i4k s HIS 300 Ca 0.04 -0.30 -0.22 0.00 -1.54 0.00 0.00 55.06 53.04 3i4k s HIS 300 Cb -0.12 -1.87 -0.03 0.00 0.04 0.00 0.00 32.58 30.60 3i4k s HIS 300 CO 0.02 0.01 1.85 0.20 -2.34 0.00 0.00 174.74 174.49 3i4k s GLY 301 N 0.07 0.65 0.88 1.59 0.00 -0.37 -1.01 107.32 109.14 3i4k s GLY 301 Ca -0.02 -2.31 -0.13 0.00 0.00 0.00 0.00 44.72 42.26 3i4k s GLY 301 CO 0.03 3.26 1.19 0.00 0.00 0.00 0.00 173.10 177.59 3i4k s ALA 302 N 8.64 2.24 0.05 3.20 0.00 0.01 -1.22 121.76 134.67 3i4k s ALA 302 Ca 0.63 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.89 3i4k s ALA 302 Cb -0.00 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 3i4k s ALA 302 CO 0.09 -2.08 -0.09 -0.08 0.00 0.00 0.00 175.76 173.60 3i4k s THR 303 N -3.53 0.68 -0.43 0.00 -1.32 -1.26 -4.47 115.64 105.32 3i4k s THR 303 Ca 0.65 -1.09 0.16 0.00 -1.21 0.00 0.00 61.69 60.20 3i4k s THR 303 Cb -0.11 -0.72 0.68 0.00 -1.51 0.00 0.00 72.50 70.85 3i4k s THR 303 CO 0.51 -0.31 1.59 -1.20 -2.21 0.00 0.00 174.62 173.00 3i4k n SER 304 N 1.50 4.79 -2.19 8.08 7.64 -1.26 -4.90 113.62 127.29 3i4k n SER 304 Ca -0.22 -2.82 -0.09 0.00 1.01 0.00 0.00 58.87 56.75 3i4k n SER 304 Cb 0.55 -0.59 0.04 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.33 -2.98 -4.78 -3.43 4.32 -1.26 -2.87 117.00 106.33 3i4k n LEU 305 Ca 0.24 -0.30 -0.35 0.00 -0.02 0.00 0.00 56.01 55.58 3i4k n LEU 305 Cb 1.00 -1.80 -0.03 0.00 -1.62 0.00 0.00 43.42 40.97 3i4k n LEU 305 CO 0.24 0.20 0.75 -1.61 -1.22 0.00 0.00 177.39 175.75 3i4k s GLU 306 N -4.77 3.83 0.00 3.23 8.01 -1.26 -4.94 118.70 122.80 3i4k s GLU 306 Ca 0.03 1.52 0.00 0.00 0.01 0.00 0.00 54.97 56.52 3i4k s GLU 306 Cb -0.01 -2.26 0.00 0.00 -4.31 0.00 0.00 34.13 27.54 3i4k s GLU 306 CO 0.36 -0.43 0.00 0.41 0.01 0.00 0.00 175.26 175.61 3i4k n GLY 307 N 0.10 -1.53 0.37 -1.39 0.00 -1.26 -3.83 105.19 97.65 3i4k n GLY 307 Ca 0.08 -1.52 -0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 1.16 -0.04 1.61 0.13 -1.94 -0.57 132.00 132.35 3i4k h PRO 308 Ca 0.00 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 3i4k h PRO 308 Cb 0.00 -0.26 -0.00 0.00 0.13 0.00 0.00 31.00 30.87 3i4k h PRO 308 CO 0.00 0.76 -0.04 0.82 -0.23 0.00 0.00 178.00 179.31 3i4k h ILE 309 N 1.19 1.38 -0.34 -3.56 1.08 -1.96 -1.31 117.51 113.99 3i4k h ILE 309 Ca 0.33 -1.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 3i4k h ILE 309 Cb -0.11 2.09 -0.02 0.00 -3.07 0.00 0.00 36.82 35.71 3i4k h ILE 309 CO -0.08 0.32 0.22 1.23 -0.69 0.00 0.00 178.15 179.16 3i4k h GLY 310 N -0.36 0.48 1.01 5.37 0.00 -1.87 -2.14 103.07 105.56 3i4k h GLY 310 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3i4k h GLY 310 CO 0.01 0.18 0.54 -0.84 0.00 0.00 0.00 176.54 176.43 3i4k h THR 311 N 0.45 1.22 -0.17 4.70 2.02 -1.12 -1.89 112.91 118.13 3i4k h THR 311 Ca 0.12 -0.42 0.02 0.00 0.77 0.00 0.00 66.41 66.90 3i4k h THR 311 Cb -0.04 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.35 3i4k h THR 311 CO -0.03 0.22 0.06 0.00 0.37 0.00 0.00 175.52 176.14 3i4k h ALA 312 N 1.30 0.19 0.19 6.16 0.00 -0.94 -0.55 119.26 125.61 3i4k h ALA 312 Ca 0.30 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.25 3i4k h ALA 312 Cb -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3i4k h ALA 312 CO -0.06 -0.37 -0.36 0.00 0.00 0.00 0.00 179.25 178.46 3i4k h ALA 313 N 1.11 -0.66 -0.32 0.00 0.00 -0.95 -0.53 119.26 117.90 3i4k h ALA 313 Ca 0.07 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3i4k h ALA 313 Cb 0.04 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3i4k h ALA 313 CO -0.07 -0.93 0.28 0.77 0.00 0.00 0.00 179.25 179.30 3i4k h SER 314 N -0.63 0.00 0.50 0.00 0.02 -1.07 -0.10 113.55 112.27 3i4k h SER 314 Ca 0.01 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.75 3i4k h SER 314 Cb 0.63 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 3i4k h SER 314 CO -0.16 0.00 -0.91 -0.07 -1.14 0.00 0.00 176.83 174.55 3i4k h LEU 315 N 0.00 0.35 -0.48 5.07 3.38 0.29 -1.99 115.31 121.95 3i4k h LEU 315 Ca 0.15 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3i4k h LEU 315 Cb 0.72 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3i4k h LEU 315 CO -0.00 1.09 0.10 1.56 0.09 0.00 0.00 178.44 181.28 3i4k h GLN 316 N 0.15 0.78 -0.12 1.13 1.08 0.44 -1.64 115.11 116.92 3i4k h GLN 316 Ca -0.06 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 56.94 3i4k h GLN 316 Cb 1.55 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.87 3i4k h GLN 316 CO 0.15 0.77 0.08 0.35 -0.95 0.00 0.00 178.83 179.22 3i4k h PHE 317 N 0.65 0.16 -0.08 2.96 3.04 -1.36 -2.12 116.94 120.19 3i4k h PHE 317 Ca 0.15 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.11 3i4k h PHE 317 Cb 0.36 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.81 3i4k h PHE 317 CO 0.02 0.13 0.06 0.00 -2.02 0.00 0.00 178.31 176.50 3i4k h ALA 318 N 1.01 1.98 0.00 2.41 0.00 -1.19 0.07 119.26 123.54 3i4k h ALA 318 Ca 0.04 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3i4k h ALA 318 Cb 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3i4k h ALA 318 CO -0.01 0.01 -0.34 0.00 0.00 0.00 0.00 179.25 178.91 3i4k h ALA 319 N 1.95 0.98 -0.12 0.00 0.00 -0.64 -3.22 119.26 118.21 3i4k h ALA 319 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3i4k h ALA 319 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3i4k h ALA 319 CO -0.01 0.43 0.00 -1.13 0.00 0.00 0.00 179.25 178.54 3i4k n SER 320 N -3.48 2.25 -4.09 0.00 3.41 -0.44 0.74 113.62 112.02 3i4k n SER 320 Ca 0.00 -1.64 -0.34 0.00 -0.26 0.00 0.00 58.87 56.63 3i4k n SER 320 Cb 0.50 -0.08 -0.13 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.95 2.83 0.37 6.66 2.01 -0.12 -4.83 115.64 121.60 3i4k s THR 321 Ca 0.16 -2.06 0.07 0.00 0.31 0.00 0.00 61.69 60.17 3i4k s THR 321 Cb 0.10 -2.94 0.30 0.00 0.01 0.00 0.00 72.50 69.97 3i4k s THR 321 CO 0.14 -0.55 1.96 0.50 -0.69 0.00 0.00 174.62 175.97 3i4k h LYS 322 N 7.87 0.70 0.00 4.92 3.11 -1.90 -1.68 116.57 129.59 3i4k h LYS 322 Ca -0.11 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.69 3i4k h LYS 322 Cb 1.04 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 32.11 3i4k h LYS 322 CO 0.60 0.46 0.16 0.00 -2.81 0.00 0.00 179.45 177.87 3i4k h ALA 323 N 1.61 1.12 -1.15 5.00 0.00 -1.92 -3.32 119.26 120.61 3i4k h ALA 323 Ca 0.32 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.64 3i4k h ALA 323 Cb 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 3i4k h ALA 323 CO -0.11 -0.12 1.42 0.42 0.00 0.00 0.00 179.25 180.86 3i4k s ILE 324 N -3.60 3.89 -0.63 0.00 -1.09 -0.63 -3.37 121.20 115.76 3i4k s ILE 324 Ca -0.02 -0.56 0.09 0.00 -2.23 0.00 0.00 60.65 57.94 3i4k s ILE 324 Cb 0.06 -5.04 0.27 0.00 -1.58 0.00 0.00 42.46 36.18 3i4k s ILE 324 CO 0.20 -1.93 1.22 -1.54 -1.23 0.00 0.00 174.94 171.66 3i4k n SER 325 N 8.97 2.83 -2.63 3.58 3.41 -0.94 -4.70 113.62 124.15 3i4k n SER 325 Ca 0.28 -2.15 -0.12 0.00 -0.26 0.00 0.00 58.87 56.62 3i4k n SER 325 Cb 0.51 -0.23 0.03 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.14 1.55 -4.97 7.33 9.36 -0.97 -4.92 117.16 124.69 3i4k n TYR 326 Ca 0.11 -2.79 0.00 0.00 3.32 0.00 0.00 57.90 58.53 3i4k n TYR 326 Cb 0.45 -0.32 0.00 0.00 -0.63 0.00 0.00 39.34 38.84 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 -0.17 0.88 3.56 2.98 0.00 -1.26 -4.65 105.19 106.52 3i4k n GLY 327 Ca 0.14 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.27 2.61 -4.23 -0.87 -1.23 115.64 111.64 3i4k s THR 328 Ca 0.00 -1.47 0.20 0.00 -1.18 0.00 0.00 61.69 59.25 3i4k s THR 328 Cb 0.00 -2.68 0.50 0.00 1.34 0.00 0.00 72.50 71.65 3i4k s THR 328 CO 0.00 0.00 1.10 -1.84 -0.54 0.00 0.00 174.62 173.34 3i4k n GLU 329 N -0.56 1.92 -2.48 3.99 0.28 -0.35 -0.40 120.64 123.03 3i4k n GLU 329 Ca -0.01 -3.58 -0.43 0.00 -0.16 0.00 0.00 57.16 52.98 3i4k n GLU 329 Cb 0.61 -1.66 0.00 0.00 1.43 0.00 0.00 31.44 31.82 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 -0.55 5.91 -0.15 -1.84 4.77 -1.26 -4.42 117.00 119.46 3i4k n LEU 330 Ca 0.12 -4.37 0.02 0.00 -0.03 0.00 0.00 56.01 51.75 3i4k n LEU 330 Cb 0.82 -1.60 0.01 0.00 -2.33 0.00 0.00 43.42 40.32 3i4k n LEU 330 CO 0.14 0.90 0.25 2.22 -1.33 0.00 0.00 177.39 179.56 3i4k n PHE 331 N 5.62 0.00 -0.25 -1.77 1.16 -1.26 -4.83 117.46 116.12 3i4k n PHE 331 Ca 0.42 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 56.09 3i4k n PHE 331 Cb 0.41 0.00 0.17 0.00 -1.61 0.00 0.00 39.48 38.45 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 0.48 -1.05 0.20 4.97 0.00 -1.26 -0.61 105.19 107.92 3i4k n GLY 332 Ca 0.02 0.73 -0.04 0.00 0.00 0.00 0.00 46.02 46.72 3i4k n GLY 332 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i4k h PRO 333 N 0.00 0.47 0.00 1.61 0.11 -1.83 -1.71 132.00 130.65 3i4k h PRO 333 Ca 0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.49 3i4k h PRO 333 Cb 0.78 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.78 3i4k h PRO 333 CO -0.70 0.31 0.03 1.04 -0.21 0.00 0.00 178.00 178.48 3i4k n GLN 334 N -4.89 0.05 0.09 1.05 6.02 0.22 -1.33 117.38 118.60 3i4k n GLN 334 Ca 0.04 0.54 0.12 0.00 -0.01 0.00 0.00 57.00 57.68 3i4k n GLN 334 Cb 0.13 -1.71 0.02 0.00 1.02 0.00 0.00 30.24 29.70 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 -1.78 0.79 -4.79 1.08 7.94 -0.64 -4.86 117.00 114.74 3i4k n LEU 335 Ca -0.01 0.28 -0.39 0.00 -1.11 0.00 0.00 56.01 54.79 3i4k n LEU 335 Cb 0.05 -0.08 -0.06 0.00 0.53 0.00 0.00 43.42 43.86 3i4k n LEU 335 CO 0.04 -0.15 0.41 -0.76 -1.11 0.00 0.00 177.39 175.82 3i4k s LEU 336 N -5.11 4.55 0.35 -1.96 1.43 -0.44 -1.95 118.68 115.56 3i4k s LEU 336 Ca 0.00 1.51 0.13 0.00 -1.03 0.00 0.00 54.13 54.75 3i4k s LEU 336 Cb 0.10 -3.21 0.65 0.00 0.03 0.00 0.00 46.19 43.76 3i4k s LEU 336 CO 0.79 0.21 1.77 0.50 0.23 0.00 0.00 176.35 179.85 3i4k h LYS 337 N 4.29 0.00 0.00 1.70 3.64 -0.88 -3.42 116.57 121.90 3i4k h LYS 337 Ca -0.48 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.54 3i4k h LYS 337 Cb 1.21 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.93 3i4k h LYS 337 CO 0.65 0.43 -0.35 -3.47 -2.27 0.00 0.00 179.45 174.44 3i4k n ASP 338 N -3.94 -0.60 -3.21 4.20 2.03 -1.26 -4.98 116.55 108.79 3i4k n ASP 338 Ca -0.02 -2.71 -0.19 0.00 0.52 0.00 0.00 54.79 52.39 3i4k n ASP 338 Cb 0.47 1.38 -0.07 0.00 -0.72 0.00 0.00 41.12 42.18 3i4k n ASP 338 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 3i4k n THR 339 N -0.50 0.00 -2.43 5.18 5.66 -1.26 -5.01 114.28 115.93 3i4k n THR 339 Ca 0.06 -2.15 0.02 0.00 -3.05 0.00 0.00 64.05 58.92 3i4k n THR 339 Cb 0.47 0.97 0.01 0.00 -1.55 0.00 0.00 70.33 70.23 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 -0.66 0.04 -0.98 1.09 4.11 -1.26 -4.84 117.16 114.66 3i4k n TYR 340 Ca 0.03 -0.61 0.07 0.00 -0.00 0.00 0.00 57.90 57.39 3i4k n TYR 340 Cb 0.54 -0.01 0.10 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 0.31 1.48 0.00 -3.48 0.13 -1.26 -0.86 119.36 115.69 3i4k n ILE 341 Ca -0.01 -1.75 0.00 0.00 -1.10 0.00 0.00 62.75 59.89 3i4k n ILE 341 Cb 1.04 -0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.84 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 -1.09 0.00 -2.17 9.51 0.31 -1.15 -3.80 118.33 119.94 3i4k n VAL 342 Ca 0.11 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.17 3i4k n VAL 342 Cb 0.58 0.00 0.13 0.00 -0.91 0.00 0.00 33.84 33.64 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 1.33 0.09 5.55 1.11 -1.26 -5.07 119.66 121.40 3i4k s GLN 343 Ca 0.00 -0.55 0.08 0.00 0.01 0.00 0.00 55.36 54.90 3i4k s GLN 343 Cb 0.00 -2.06 -0.03 0.00 -1.01 0.00 0.00 33.01 29.91 3i4k s GLN 343 CO 0.00 -1.85 -0.20 -1.21 0.01 0.00 0.00 175.29 172.03 3i4k s GLU 344 N -5.53 1.14 0.44 2.91 2.02 -1.26 -5.02 118.70 113.40 3i4k s GLU 344 Ca 0.68 -1.12 -0.14 0.00 0.02 0.00 0.00 54.97 54.41 3i4k s GLU 344 Cb -0.06 -1.37 -0.08 0.00 0.10 0.00 0.00 34.13 32.72 3i4k s GLU 344 CO 0.49 0.32 0.86 -0.06 0.02 0.00 0.00 175.26 176.89 3i4k s PHE 345 N -1.11 3.43 -0.71 1.61 0.08 -1.26 -5.02 117.98 114.99 3i4k s PHE 345 Ca 0.06 1.28 -0.10 0.00 0.12 0.00 0.00 56.93 58.29 3i4k s PHE 345 Cb -0.10 -2.63 0.19 0.00 -0.57 0.00 0.00 43.02 39.91 3i4k s PHE 345 CO 0.04 -0.18 0.61 -1.21 -0.10 0.00 0.00 175.22 174.38 3i4k s GLU 346 N -3.75 3.13 -0.31 0.44 2.02 -1.26 -5.04 118.70 113.93 3i4k s GLU 346 Ca 0.56 -2.38 -0.16 0.00 0.02 0.00 0.00 54.97 53.00 3i4k s GLU 346 Cb -0.10 -4.15 -0.02 0.00 0.10 0.00 0.00 34.13 29.96 3i4k s GLU 346 CO 0.28 -1.25 0.40 0.71 0.02 0.00 0.00 175.26 175.42 3i4k s TYR 347 N 0.27 3.22 -0.02 1.61 2.02 -1.26 -2.87 117.35 120.33 3i4k s TYR 347 Ca 0.16 0.23 -0.28 0.00 -0.37 0.00 0.00 57.07 56.80 3i4k s TYR 347 Cb -0.16 -2.68 0.10 0.00 -0.40 0.00 0.00 41.96 38.82 3i4k s TYR 347 CO -0.06 -0.36 0.82 -1.59 -1.57 0.00 0.00 175.55 172.80 3i4k s LYS 348 N 2.12 0.90 -1.48 -0.62 -2.85 -0.59 -4.93 119.74 112.28 3i4k s LYS 348 Ca 0.15 -0.14 -0.12 0.00 -1.00 0.00 0.00 55.97 54.86 3i4k s LYS 348 Cb -0.16 0.42 0.07 0.00 -2.06 0.00 0.00 37.83 36.10 3i4k s LYS 348 CO 0.11 -0.35 0.86 -0.25 0.10 0.00 0.00 175.35 175.82 3i4k n ASP 349 N 0.14 -4.94 -1.02 0.03 8.00 -0.99 -0.59 116.55 117.18 3i4k n ASP 349 Ca -0.12 -0.62 -0.13 0.00 0.71 0.00 0.00 54.79 54.62 3i4k n ASP 349 Cb 0.61 -3.96 -0.06 0.00 -0.02 0.00 0.00 41.12 37.69 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 -1.60 1.38 0.80 0.44 0.00 0.24 -4.83 105.19 101.62 3i4k n GLY 350 Ca 0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.29 0.57 -3.66 1.61 6.02 0.24 -1.21 117.38 118.66 3i4k n GLN 351 Ca -0.13 -0.83 -0.11 0.00 -0.01 0.00 0.00 57.00 55.92 3i4k n GLN 351 Cb 0.48 0.53 -0.08 0.00 1.02 0.00 0.00 30.24 32.19 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 -2.06 -0.00 0.27 5.09 0.11 -1.04 -1.55 120.40 121.21 3i4k s VAL 352 Ca 0.07 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 58.95 3i4k s VAL 352 Cb 0.00 -0.87 -0.09 0.00 -1.53 0.00 0.00 36.38 33.89 3i4k s VAL 352 CO 0.05 0.01 0.75 0.00 -3.33 0.00 0.00 175.10 172.57 3i4k s ALA 353 N 1.00 3.36 0.00 1.54 0.00 -1.14 -2.25 121.76 124.27 3i4k s ALA 353 Ca -0.05 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 3i4k s ALA 353 Cb -0.05 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.19 3i4k s ALA 353 CO -0.09 0.32 1.27 0.42 0.00 0.00 0.00 175.76 177.68 3i4k s ILE 354 N -1.71 3.97 0.23 0.00 1.09 0.12 -4.67 121.20 120.22 3i4k s ILE 354 Ca 0.48 1.36 -0.31 0.00 -1.10 0.00 0.00 60.65 61.07 3i4k s ILE 354 Cb -0.14 -3.87 -0.14 0.00 -1.06 0.00 0.00 42.46 37.25 3i4k s ILE 354 CO 0.20 0.03 1.31 -2.65 -0.10 0.00 0.00 174.94 173.73 3i4k n PRO 355 N 4.82 1.75 -3.59 2.79 -0.02 -1.26 -4.97 135.00 134.52 3i4k n PRO 355 Ca 0.11 0.62 -0.28 0.00 -2.02 0.00 0.00 63.50 61.93 3i4k n PRO 355 Cb 0.45 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 3i4k n PRO 355 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3i4k s GLN 356 N -0.51 3.56 0.00 -0.52 -1.52 -1.26 -4.75 119.66 114.66 3i4k s GLN 356 Ca 0.69 -0.22 0.00 0.00 -1.95 0.00 0.00 55.36 53.88 3i4k s GLN 356 Cb -0.71 -2.79 0.00 0.00 -0.22 0.00 0.00 33.01 29.30 3i4k s GLN 356 CO 0.51 0.35 0.00 0.41 -0.25 0.00 0.00 175.29 176.32 3i4k n GLY 357 N -0.67 1.93 3.79 3.09 0.00 -1.26 -4.66 105.19 107.41 3i4k n GLY 357 Ca -0.04 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.58 3.21 4.68 1.61 0.04 -1.26 -3.57 135.00 138.12 3i4k s PRO 358 Ca 0.00 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.32 3i4k s PRO 358 Cb 0.00 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3i4k s PRO 358 CO 0.00 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 176.54 3i4k n GLY 359 N -0.76 1.70 0.11 0.56 0.00 -0.14 -1.74 105.19 104.91 3i4k n GLY 359 Ca 0.09 -0.53 0.07 0.00 0.00 0.00 0.00 46.02 45.65 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 0.37 0.00 0.99 4.32 -1.26 -1.46 117.00 119.96 3i4k n LEU 360 Ca 0.00 0.67 0.00 0.00 -0.02 0.00 0.00 56.01 56.66 3i4k n LEU 360 Cb 0.00 -0.72 0.00 0.00 -1.62 0.00 0.00 43.42 41.08 3i4k n LEU 360 CO 0.00 -0.80 0.00 0.61 -1.22 0.00 0.00 177.39 175.98 3i4k n GLY 361 N -1.35 0.44 3.15 -0.72 0.00 -0.71 -4.74 105.19 101.26 3i4k n GLY 361 Ca -0.01 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.00 -0.01 -0.14 1.61 0.11 -1.26 -4.32 120.40 114.38 3i4k s VAL 362 Ca 0.00 0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 59.06 3i4k s VAL 362 Cb 0.00 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 3i4k s VAL 362 CO 0.00 0.02 0.02 -1.81 -3.33 0.00 0.00 175.10 170.00 3i4k s ASP 363 N 0.62 5.33 0.62 3.54 1.11 -1.25 -5.05 116.67 121.59 3i4k s ASP 363 Ca -0.04 0.06 -0.16 0.00 0.18 0.00 0.00 52.55 52.59 3i4k s ASP 363 Cb -0.05 -1.78 -0.02 0.00 1.07 0.00 0.00 42.92 42.14 3i4k s ASP 363 CO -0.04 0.24 1.11 0.68 1.18 0.00 0.00 175.17 178.35 3i4k s VAL 364 N -0.06 3.27 0.47 -1.27 -7.23 -1.26 -2.93 120.40 111.40 3i4k s VAL 364 Ca 0.04 0.64 0.03 0.00 -1.81 0.00 0.00 61.98 60.89 3i4k s VAL 364 Cb -0.13 -3.17 0.03 0.00 0.56 0.00 0.00 36.38 33.67 3i4k s VAL 364 CO 0.02 -0.32 0.26 -0.67 -0.31 0.00 0.00 175.10 174.07 3i4k n ASP 365 N -2.09 2.73 0.00 4.85 -0.08 -0.04 -4.72 116.55 117.21 3i4k n ASP 365 Ca 0.11 -2.74 0.00 0.00 -1.51 0.00 0.00 54.79 50.65 3i4k n ASP 365 Cb 0.52 0.06 0.00 0.00 2.34 0.00 0.00 41.12 44.04 3i4k n ASP 365 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3i4k n ASP 367 N -1.69 0.00 -0.13 1.67 8.00 -1.26 -1.36 116.55 121.78 3i4k n ASP 367 Ca -0.07 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.49 3i4k n ASP 367 Cb 0.55 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 42.02 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 0.70 -0.10 -1.24 1.57 -1.92 0.52 116.57 116.10 3i4k h LYS 368 Ca 0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3i4k h LYS 368 Cb 0.00 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 3i4k h LYS 368 CO 0.00 0.46 0.04 0.28 -0.57 0.00 0.00 179.45 179.66 3i4k h VAL 369 N 0.72 1.15 -0.29 0.50 2.07 -1.51 -1.33 116.25 117.56 3i4k h VAL 369 Ca 0.26 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 3i4k h VAL 369 Cb 0.13 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3i4k h VAL 369 CO -0.08 0.13 -0.06 0.78 0.02 0.00 0.00 177.57 178.37 3i4k h ASN 370 N 0.00 0.43 -0.45 0.57 -0.26 -1.69 -2.23 115.58 111.96 3i4k h ASN 370 Ca 0.03 -0.09 -0.04 0.00 -0.56 0.00 0.00 56.30 55.65 3i4k h ASN 370 Cb 0.18 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.30 3i4k h ASN 370 CO -0.00 0.54 0.13 0.15 -1.06 0.00 0.00 177.43 177.19 3i4k h PHE 371 N 0.43 0.73 -0.12 1.19 3.57 -0.54 -3.02 116.94 119.18 3i4k h PHE 371 Ca 0.09 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3i4k h PHE 371 Cb 0.38 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.91 3i4k h PHE 371 CO 0.01 0.66 0.00 0.66 -2.23 0.00 0.00 178.31 177.41 3i4k n TYR 372 N -4.54 0.15 -2.16 0.41 4.01 -0.53 -4.94 117.16 109.56 3i4k n TYR 372 Ca 0.01 -0.07 -0.41 0.00 -0.16 0.00 0.00 57.90 57.26 3i4k n TYR 372 Cb 0.19 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.20 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 -1.85 2.85 -2.00 -0.72 2.01 -0.85 -1.23 115.64 113.84 3i4k s THR 373 Ca 0.34 0.82 0.25 0.00 0.31 0.00 0.00 61.69 63.41 3i4k s THR 373 Cb 0.19 -3.52 0.70 0.00 0.01 0.00 0.00 72.50 69.88 3i4k s THR 373 CO 0.29 0.18 1.84 -1.14 -0.69 0.00 0.00 174.62 175.09