#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n2k s PRO 20 N 0.00 2.92 0.64 -0.14 0.02 -1.26 -5.00 135.00 132.17 1n2k s PRO 20 Ca 0.00 2.05 -0.13 0.00 0.02 0.00 0.00 61.00 62.94 1n2k s PRO 20 Cb 0.00 -2.03 -0.02 0.00 0.02 0.00 0.00 34.50 32.47 1n2k s PRO 20 CO 0.00 -1.31 1.06 -1.25 -0.33 0.00 0.00 177.00 175.17 1n2k s PRO 21 N -3.17 3.14 -0.16 5.54 0.04 -1.26 -4.86 135.00 134.27 1n2k s PRO 21 Ca 0.77 1.08 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 1n2k s PRO 21 Cb -0.36 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 1n2k s PRO 21 CO 0.40 -0.95 1.12 -0.80 0.04 0.00 0.00 177.00 176.81 1n2k s ASN 22 N -3.27 7.08 -0.24 6.66 0.01 -0.01 -4.82 114.94 120.36 1n2k s ASN 22 Ca 0.61 1.57 -0.09 0.00 -0.71 0.00 0.00 52.86 54.23 1n2k s ASN 22 Cb -0.15 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 38.92 1n2k s ASN 22 CO 0.45 -0.63 0.12 -0.63 -1.51 0.00 0.00 177.10 174.90 1n2k s ILE 23 N 2.85 4.96 -0.23 0.60 1.01 -0.92 0.79 121.20 130.26 1n2k s ILE 23 Ca 0.50 0.04 0.02 0.00 0.00 0.00 0.00 60.65 61.21 1n2k s ILE 23 Cb -0.19 -3.31 0.05 0.00 0.01 0.00 0.00 42.46 39.02 1n2k s ILE 23 CO 0.13 0.35 -0.14 -0.69 0.00 0.00 0.00 174.94 174.60 1n2k s VAL 24 N 1.18 2.18 -0.43 2.92 1.01 -0.01 -1.56 120.40 125.69 1n2k s VAL 24 Ca 0.06 -1.38 -0.06 0.00 0.00 0.00 0.00 61.98 60.60 1n2k s VAL 24 Cb -0.14 -2.16 0.10 0.00 0.00 0.00 0.00 36.38 34.18 1n2k s VAL 24 CO 0.05 0.16 0.25 -0.22 0.00 0.00 0.00 175.10 175.34 1n2k s LEU 25 N 1.17 5.31 -0.20 3.92 2.96 0.50 -1.60 118.68 130.75 1n2k s LEU 25 Ca -0.04 -1.86 -0.21 0.00 -0.22 0.00 0.00 54.13 51.79 1n2k s LEU 25 Cb -0.18 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 1n2k s LEU 25 CO -0.07 -0.58 0.66 -0.63 -1.32 0.00 0.00 176.35 174.41 1n2k s ILE 26 N 1.27 4.99 -0.28 6.68 1.01 -0.31 -0.17 121.20 134.39 1n2k s ILE 26 Ca 0.06 1.24 0.03 0.00 0.00 0.00 0.00 60.65 61.98 1n2k s ILE 26 Cb -0.24 -3.97 0.07 0.00 0.01 0.00 0.00 42.46 38.33 1n2k s ILE 26 CO -0.02 0.08 -0.04 0.12 0.00 0.00 0.00 174.94 175.08 1n2k s PHE 27 N 2.04 3.14 0.67 3.97 5.36 0.10 -2.45 117.98 130.81 1n2k s PHE 27 Ca 0.30 -2.37 -0.11 0.00 -0.96 0.00 0.00 56.93 53.79 1n2k s PHE 27 Cb -0.16 -2.12 -0.01 0.00 -0.34 0.00 0.00 43.02 40.39 1n2k s PHE 27 CO 0.10 -0.88 1.05 0.00 -1.46 0.00 0.00 175.22 174.03 1n2k s ALA 28 N 1.13 2.85 -0.17 11.12 0.00 0.13 -1.52 121.76 135.30 1n2k s ALA 28 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.94 1n2k s ALA 28 Cb -0.19 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1n2k s ALA 28 CO -0.07 -1.02 -0.14 0.34 0.00 0.00 0.00 175.76 174.87 1n2k s ASP 29 N -3.96 3.65 -1.32 0.00 2.15 -1.07 -1.61 116.67 114.50 1n2k s ASP 29 Ca 0.57 -0.50 -0.03 0.00 0.43 0.00 0.00 52.55 53.02 1n2k s ASP 29 Cb -0.13 -1.57 0.02 0.00 -0.30 0.00 0.00 42.92 40.93 1n2k s ASP 29 CO 0.55 0.05 0.88 0.47 -0.17 0.00 0.00 175.17 176.94 1n2k n ASP 30 N 4.30 -2.56 -4.64 -0.34 9.92 -1.26 -3.08 116.55 118.89 1n2k n ASP 30 Ca -0.19 -0.73 -0.35 0.00 -0.53 0.00 0.00 54.79 52.99 1n2k n ASP 30 Cb 0.51 -4.41 -0.10 0.00 -0.64 0.00 0.00 41.12 36.48 1n2k n ASP 30 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1n2k s LEU 31 N -6.77 3.62 0.71 0.64 2.96 -1.15 -4.50 118.68 114.19 1n2k s LEU 31 Ca 0.18 0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 54.12 1n2k s LEU 31 Cb -0.08 -1.86 0.08 0.00 0.50 0.00 0.00 46.19 44.83 1n2k s LEU 31 CO 0.78 0.28 1.01 -0.83 -1.32 0.00 0.00 176.35 176.27 1n2k s GLY 32 N -0.29 1.74 0.36 7.98 0.00 -1.26 -4.38 107.32 111.47 1n2k s GLY 32 Ca 0.07 -1.18 0.15 0.00 0.00 0.00 0.00 44.72 43.76 1n2k s GLY 32 CO 0.02 -0.72 1.77 -1.82 0.00 0.00 0.00 173.10 172.35 1n2k h TYR 33 N -0.59 0.00 -0.46 1.90 3.20 -1.73 -3.22 116.97 116.07 1n2k h TYR 33 Ca -0.42 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.30 1n2k h TYR 33 Cb 1.29 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 39.48 1n2k h TYR 33 CO 0.07 0.41 0.09 0.41 -1.64 0.00 0.00 178.16 177.50 1n2k n GLY 34 N -0.14 4.23 0.13 1.82 0.00 -0.63 -4.64 105.19 105.96 1n2k n GLY 34 Ca -0.01 -1.09 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 1n2k n GLY 34 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1n2k h ASP 35 N 1.75 0.48 -4.15 1.61 3.32 -1.56 -3.36 116.42 114.51 1n2k h ASP 35 Ca 0.18 -0.90 -0.52 0.00 0.02 0.00 0.00 57.03 55.81 1n2k h ASP 35 Cb 1.84 -0.16 0.12 0.00 0.22 0.00 0.00 39.33 41.35 1n2k h ASP 35 CO 0.47 1.72 0.42 -0.76 -1.72 0.00 0.00 179.24 179.36 1n2k s LEU 36 N -7.40 3.50 0.17 1.55 1.43 -1.26 -4.65 118.68 112.02 1n2k s LEU 36 Ca -0.19 2.25 -0.11 0.00 -1.03 0.00 0.00 54.13 55.06 1n2k s LEU 36 Cb 0.05 -4.58 0.06 0.00 0.03 0.00 0.00 46.19 41.75 1n2k s LEU 36 CO 0.80 -1.76 1.66 1.23 0.23 0.00 0.00 176.35 178.51 1n2k h GLY 37 N 0.35 1.07 1.15 -3.19 0.00 -1.85 -2.25 103.07 98.35 1n2k h GLY 37 Ca -0.49 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.12 1n2k h GLY 37 CO 0.53 0.67 0.00 0.00 0.00 0.00 0.00 176.54 177.75 1n2k n TYR 39 N -1.08 0.42 -0.49 0.00 4.02 -0.86 -5.00 117.16 114.18 1n2k n TYR 39 Ca 0.08 -0.52 0.00 0.00 -0.01 0.00 0.00 57.90 57.45 1n2k n TYR 39 Cb 0.05 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 1n2k n TYR 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n2k n GLY 40 N 0.32 0.71 3.70 2.72 0.00 -0.09 -4.80 105.19 107.76 1n2k n GLY 40 Ca 0.11 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1n2k n GLY 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1n2k s HIS 41 N -2.00 3.50 0.44 1.61 5.04 -1.16 -4.96 115.29 117.77 1n2k s HIS 41 Ca 0.00 1.50 0.27 0.00 -1.54 0.00 0.00 55.06 55.29 1n2k s HIS 41 Cb 0.00 -3.26 1.48 0.00 0.04 0.00 0.00 32.58 30.84 1n2k s HIS 41 CO 0.00 -0.59 2.09 -1.00 -2.34 0.00 0.00 174.74 172.90 1n2k h PRO 42 N 6.95 0.00 0.00 2.88 0.13 -1.93 -3.35 132.00 136.67 1n2k h PRO 42 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1n2k h PRO 42 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1n2k h PRO 42 CO 0.80 0.10 -0.66 -1.13 -0.23 0.00 0.00 178.00 176.89 1n2k n SER 43 N -3.69 3.29 -4.72 1.44 3.41 -1.26 -5.07 113.62 107.01 1n2k n SER 43 Ca -0.02 -0.10 -0.38 0.00 -0.26 0.00 0.00 58.87 58.10 1n2k n SER 43 Cb 0.22 0.86 0.04 0.00 -0.26 0.00 0.00 64.21 65.07 1n2k n SER 43 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1n2k n SER 44 N -1.19 2.28 -4.05 4.04 7.64 -1.26 -4.39 113.62 116.70 1n2k n SER 44 Ca 0.00 0.94 -0.32 0.00 1.01 0.00 0.00 58.87 60.50 1n2k n SER 44 Cb 0.00 -1.54 -0.15 0.00 -1.01 0.00 0.00 64.21 61.52 1n2k n SER 44 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1n2k s THR 45 N -1.32 2.42 -0.37 0.44 2.01 -1.26 -4.75 115.64 112.81 1n2k s THR 45 Ca 0.73 -2.14 0.13 0.00 0.31 0.00 0.00 61.69 60.72 1n2k s THR 45 Cb -0.42 -2.69 0.39 0.00 0.01 0.00 0.00 72.50 69.79 1n2k s THR 45 CO 0.48 -0.49 0.83 0.35 -0.69 0.00 0.00 174.62 175.11 1n2k n THR 46 N 4.34 0.49 -0.10 -0.82 -2.24 -1.26 -4.29 114.28 110.40 1n2k n THR 46 Ca -0.01 -4.15 -0.08 0.00 -2.27 0.00 0.00 64.05 57.54 1n2k n THR 46 Cb 0.42 -0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.58 1n2k n THR 46 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1n2k h PRO 47 N 2.98 -0.24 -0.42 -0.78 0.11 -1.94 -0.48 132.00 131.23 1n2k h PRO 47 Ca 0.04 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.19 1n2k h PRO 47 Cb 1.01 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1n2k h PRO 47 CO 0.53 -0.16 0.24 -0.91 -0.21 0.00 0.00 178.00 177.48 1n2k h ASN 48 N -0.25 0.37 0.17 -2.05 2.35 -1.95 -0.59 115.58 113.62 1n2k h ASN 48 Ca 0.16 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.83 1n2k h ASN 48 Cb 0.52 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1n2k h ASN 48 CO -0.49 0.27 -0.33 -0.07 -1.65 0.00 0.00 177.43 175.15 1n2k h LEU 49 N 0.48 0.25 -0.76 1.61 3.38 -1.75 -0.27 115.31 118.24 1n2k h LEU 49 Ca 0.17 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1n2k h LEU 49 Cb 0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1n2k h LEU 49 CO -0.09 0.58 -0.35 0.44 0.09 0.00 0.00 178.44 179.11 1n2k h ASP 50 N 0.22 0.56 0.22 -0.43 3.32 -0.54 -1.90 116.42 117.87 1n2k h ASP 50 Ca 0.03 -0.23 -0.21 0.00 0.02 0.00 0.00 57.03 56.64 1n2k h ASP 50 Cb 0.70 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1n2k h ASP 50 CO 0.05 0.86 -0.82 1.56 -1.72 0.00 0.00 179.24 179.17 1n2k h GLN 51 N 0.46 0.47 -0.48 3.56 4.20 -0.71 -1.45 115.11 121.16 1n2k h GLN 51 Ca 0.05 -0.43 -0.07 0.00 0.06 0.00 0.00 58.65 58.26 1n2k h GLN 51 Cb 0.82 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 1n2k h GLN 51 CO 0.07 1.07 -0.01 1.25 -0.67 0.00 0.00 178.83 180.54 1n2k h LEU 52 N 0.30 0.77 -0.22 1.46 5.85 -0.87 -1.76 115.31 120.84 1n2k h LEU 52 Ca -0.05 -0.19 -0.22 0.00 0.84 0.00 0.00 57.88 58.26 1n2k h LEU 52 Cb 1.43 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 42.26 1n2k h LEU 52 CO 0.15 0.84 -0.82 0.00 -0.34 0.00 0.00 178.44 178.27 1n2k h ALA 53 N 1.25 0.39 0.00 1.25 0.00 -1.31 -2.86 119.26 117.97 1n2k h ALA 53 Ca 0.14 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1n2k h ALA 53 Cb 0.46 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1n2k h ALA 53 CO 0.02 0.73 -0.16 0.00 0.00 0.00 0.00 179.25 179.84 1n2k h ALA 54 N 0.68 1.49 -0.43 0.00 0.00 -0.93 -2.71 119.26 117.37 1n2k h ALA 54 Ca -0.06 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.46 1n2k h ALA 54 Cb 1.43 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 19.04 1n2k h ALA 54 CO 0.16 0.19 -0.14 0.41 0.00 0.00 0.00 179.25 179.87 1n2k n GLY 55 N -0.86 5.18 3.97 0.00 0.00 -0.69 -4.82 105.19 107.97 1n2k n GLY 55 Ca -0.02 -1.48 0.01 0.00 0.00 0.00 0.00 46.02 44.52 1n2k n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n2k s GLY 56 N -2.67 -0.03 0.50 -0.02 0.00 -1.02 -4.55 107.32 99.52 1n2k s GLY 56 Ca 0.46 -0.12 -0.22 0.00 0.00 0.00 0.00 44.72 44.84 1n2k s GLY 56 CO -0.00 4.79 1.25 1.08 0.00 0.00 0.00 173.10 180.21 1n2k s LEU 57 N -3.71 3.95 -0.19 0.66 1.43 -0.28 -2.81 118.68 117.72 1n2k s LEU 57 Ca 0.28 2.51 -0.04 0.00 -1.03 0.00 0.00 54.13 55.85 1n2k s LEU 57 Cb -0.01 -4.25 0.06 0.00 0.03 0.00 0.00 46.19 42.02 1n2k s LEU 57 CO 0.02 -1.20 0.07 -0.60 0.23 0.00 0.00 176.35 174.86 1n2k s ARG 58 N -2.78 0.39 0.26 1.70 3.52 -0.86 -1.73 118.95 119.44 1n2k s ARG 58 Ca 0.67 -0.32 -0.30 0.00 -0.13 0.00 0.00 55.73 55.66 1n2k s ARG 58 Cb -0.34 -1.94 -0.09 0.00 -1.56 0.00 0.00 34.95 31.02 1n2k s ARG 58 CO 0.41 -0.69 1.01 -0.06 -0.81 0.00 0.00 175.30 175.16 1n2k s PHE 59 N 1.98 3.80 -0.42 5.12 0.40 -0.92 -1.82 117.98 126.11 1n2k s PHE 59 Ca 0.01 1.82 0.10 0.00 -0.60 0.00 0.00 56.93 58.26 1n2k s PHE 59 Cb -0.17 -3.12 -0.12 0.00 0.51 0.00 0.00 43.02 40.12 1n2k s PHE 59 CO -0.11 -0.01 0.41 0.25 0.70 0.00 0.00 175.22 176.47 1n2k n THR 60 N 1.36 0.00 -2.70 0.64 -2.24 -0.84 -4.31 114.28 106.19 1n2k n THR 60 Ca -0.02 -0.25 -0.17 0.00 -2.27 0.00 0.00 64.05 61.34 1n2k n THR 60 Cb 0.46 0.89 0.01 0.00 -2.10 0.00 0.00 70.33 69.59 1n2k n THR 60 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1n2k n ASP 61 N -1.33 2.64 -4.74 3.42 9.92 -1.26 -5.04 116.55 120.15 1n2k n ASP 61 Ca 0.01 -3.15 -0.36 0.00 -0.53 0.00 0.00 54.79 50.76 1n2k n ASP 61 Cb 0.18 -0.52 -0.07 0.00 -0.64 0.00 0.00 41.12 40.07 1n2k n ASP 61 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1n2k s PHE 62 N -3.19 3.48 0.35 1.24 2.19 -1.26 -2.93 117.98 117.86 1n2k s PHE 62 Ca 0.37 0.60 0.05 0.00 0.33 0.00 0.00 56.93 58.29 1n2k s PHE 62 Cb 0.41 -2.30 -0.07 0.00 -1.31 0.00 0.00 43.02 39.75 1n2k s PHE 62 CO -0.06 0.30 0.03 0.71 1.83 0.00 0.00 175.22 178.03 1n2k s TYR 63 N 0.27 2.17 -0.01 10.12 1.51 -0.05 -1.18 117.35 130.18 1n2k s TYR 63 Ca 0.16 -0.83 0.02 0.00 -1.01 0.00 0.00 57.07 55.41 1n2k s TYR 63 Cb -0.13 -1.46 -0.00 0.00 -0.11 0.00 0.00 41.96 40.26 1n2k s TYR 63 CO 0.04 0.19 -0.08 0.14 -1.11 0.00 0.00 175.55 174.74 1n2k s VAL 64 N -3.06 0.63 0.37 0.71 -7.23 -0.46 -1.78 120.40 109.58 1n2k s VAL 64 Ca 0.36 -0.32 0.05 0.00 -1.81 0.00 0.00 61.98 60.26 1n2k s VAL 64 Cb 0.09 -0.54 0.22 0.00 0.56 0.00 0.00 36.38 36.70 1n2k s VAL 64 CO 0.16 0.19 1.97 1.55 -0.31 0.00 0.00 175.10 178.66 1n2k h PRO 65 N 6.11 0.57 -4.73 4.82 0.13 -1.89 -3.44 132.00 133.57 1n2k h PRO 65 Ca -0.31 -0.07 -0.36 0.00 -0.87 0.00 0.00 66.00 64.39 1n2k h PRO 65 Cb 1.18 -0.11 -0.26 0.00 0.13 0.00 0.00 31.00 31.94 1n2k h PRO 65 CO 0.49 0.47 -0.77 0.08 -0.23 0.00 0.00 178.00 178.05 1n2k s VAL 66 N -5.28 0.70 -0.38 1.56 1.01 -1.26 -1.95 120.40 114.80 1n2k s VAL 66 Ca -0.08 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 1n2k s VAL 66 Cb 0.17 -0.64 0.17 0.00 0.00 0.00 0.00 36.38 36.07 1n2k s VAL 66 CO 0.75 -0.01 2.29 -0.24 0.00 0.00 0.00 175.10 177.89 1n2k n SER 67 N 2.31 6.52 0.00 3.32 2.88 -1.26 -4.42 113.62 122.97 1n2k n SER 67 Ca -0.17 -3.14 0.00 0.00 -1.33 0.00 0.00 58.87 54.23 1n2k n SER 67 Cb 0.56 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 1n2k n SER 67 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1n2k n LEU 68 N 0.48 0.00 0.00 2.46 4.77 -1.26 -1.87 117.00 121.58 1n2k n LEU 68 Ca 0.38 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1n2k n LEU 68 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1n2k n LEU 68 CO 0.38 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.85 1n2k n THR 70 N 0.00 0.00 -0.29 -5.08 -1.04 -1.26 -1.88 114.28 104.72 1n2k n THR 70 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 1n2k n THR 70 Cb 0.00 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.58 1n2k n THR 70 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1n2k h PRO 71 N 0.00 1.12 0.03 -2.82 0.13 -1.81 -1.41 132.00 127.24 1n2k h PRO 71 Ca 0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1n2k h PRO 71 Cb 0.00 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 30.91 1n2k h PRO 71 CO 0.00 0.85 -0.04 1.03 -0.23 0.00 0.00 178.00 179.61 1n2k h SER 72 N 1.11 -0.10 -0.49 1.44 0.87 -1.59 -1.88 113.55 112.91 1n2k h SER 72 Ca 0.28 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 1n2k h SER 72 Cb 0.07 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 1n2k h SER 72 CO -0.04 -0.06 0.21 0.03 -0.53 0.00 0.00 176.83 176.44 1n2k h ARG 73 N -0.08 0.77 -0.36 2.24 3.08 -1.76 -1.42 114.38 116.84 1n2k h ARG 73 Ca 0.01 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1n2k h ARG 73 Cb 0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1n2k h ARG 73 CO -0.02 0.63 0.17 0.00 -1.07 0.00 0.00 179.97 179.69 1n2k h ALA 74 N 1.47 1.62 0.10 0.04 0.00 -0.81 -2.30 119.26 119.39 1n2k h ALA 74 Ca 0.18 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 1n2k h ALA 74 Cb 0.15 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.81 1n2k h ALA 74 CO -0.02 0.31 -1.18 0.00 0.00 0.00 0.00 179.25 178.36 1n2k h ALA 75 N 1.69 0.11 0.03 0.00 0.00 -0.52 -2.73 119.26 117.84 1n2k h ALA 75 Ca 0.13 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 1n2k h ALA 75 Cb 0.06 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1n2k h ALA 75 CO -0.02 0.80 -0.02 1.25 0.00 0.00 0.00 179.25 181.27 1n2k h LEU 76 N 0.20 -0.04 -0.37 0.00 5.85 -0.85 0.42 115.31 120.52 1n2k h LEU 76 Ca -0.15 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.37 1n2k h LEU 76 Cb 1.86 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.89 1n2k h LEU 76 CO 0.21 -0.00 -0.58 -0.07 -0.34 0.00 0.00 178.44 177.66 1n2k h LEU 77 N -0.07 0.83 0.00 2.25 -0.00 -1.54 -3.35 115.31 113.43 1n2k h LEU 77 Ca -0.00 -0.46 -0.16 0.00 -0.00 0.00 0.00 57.88 57.26 1n2k h LEU 77 Cb 0.06 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 40.45 1n2k h LEU 77 CO 0.01 1.22 -1.69 0.35 -0.00 0.00 0.00 178.44 178.33 1n2k n THR 78 N -3.98 0.94 -1.48 0.22 -2.24 -1.03 -0.81 114.28 105.91 1n2k n THR 78 Ca -0.04 -0.67 -0.06 0.00 -2.27 0.00 0.00 64.05 61.00 1n2k n THR 78 Cb 0.63 -0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.34 1n2k n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n2k n GLY 79 N 1.42 0.63 3.17 3.38 0.00 0.15 -4.94 105.19 109.00 1n2k n GLY 79 Ca -0.12 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 1n2k n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n2k s ARG 80 N -3.09 0.84 0.22 1.61 0.52 -1.25 -1.24 118.95 116.56 1n2k s ARG 80 Ca 0.00 -1.09 -0.32 0.00 -0.52 0.00 0.00 55.73 53.80 1n2k s ARG 80 Cb 0.00 -0.62 -0.12 0.00 0.52 0.00 0.00 34.95 34.74 1n2k s ARG 80 CO 0.00 0.11 1.67 -0.51 0.02 0.00 0.00 175.30 176.60 1n2k s LEU 81 N -2.23 4.37 0.55 2.53 1.43 -1.26 -4.28 118.68 119.79 1n2k s LEU 81 Ca 0.03 2.84 0.36 0.00 -1.03 0.00 0.00 54.13 56.33 1n2k s LEU 81 Cb -0.05 -3.60 1.52 0.00 0.03 0.00 0.00 46.19 44.08 1n2k s LEU 81 CO 0.01 -0.94 1.77 -0.65 0.23 0.00 0.00 176.35 176.77 1n2k h PRO 82 N 6.46 0.00 0.00 1.29 0.11 -1.92 -0.96 132.00 136.97 1n2k h PRO 82 Ca -0.44 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 1n2k h PRO 82 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1n2k h PRO 82 CO 0.92 0.00 -0.19 -0.39 -0.21 0.00 0.00 178.00 178.13 1n2k h VAL 83 N 0.00 0.47 -0.26 3.15 -1.51 -1.90 -1.10 116.25 115.10 1n2k h VAL 83 Ca 0.54 -1.06 -0.04 0.00 -1.23 0.00 0.00 66.70 64.92 1n2k h VAL 83 Cb 2.28 1.75 -0.01 0.00 -2.13 0.00 0.00 31.29 33.18 1n2k h VAL 83 CO -0.01 0.19 0.02 0.03 -1.23 0.00 0.00 177.57 176.57 1n2k h ARG 84 N 0.00 0.46 -0.62 5.19 3.08 -1.40 0.41 114.38 121.49 1n2k h ARG 84 Ca -0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1n2k h ARG 84 Cb 0.74 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1n2k h ARG 84 CO 0.03 0.60 0.00 0.00 -1.07 0.00 0.00 179.97 179.53 1n2k n MET 85 N -4.64 2.97 -1.56 0.04 0.00 -1.22 -3.18 117.12 109.54 1n2k n MET 85 Ca -0.03 -1.98 -0.13 0.00 0.00 0.00 0.00 57.70 55.56 1n2k n MET 85 Cb 0.23 -1.74 -0.05 0.00 0.00 0.00 0.00 33.22 31.67 1n2k n MET 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1n2k n GLY 86 N 0.81 1.09 2.36 3.17 0.00 -1.17 -4.76 105.19 106.70 1n2k n GLY 86 Ca 0.18 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1n2k n GLY 86 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1n2k n MET 87 N -2.55 3.62 -3.45 1.61 2.81 -0.42 -0.52 117.12 118.21 1n2k n MET 87 Ca -0.14 -2.25 -0.12 0.00 -1.81 0.00 0.00 57.70 53.38 1n2k n MET 87 Cb 0.48 -2.86 -0.02 0.00 -0.71 0.00 0.00 33.22 30.11 1n2k n MET 87 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 1n2k s TYR 88 N 2.27 -0.52 0.47 2.03 1.13 -1.26 -4.44 117.35 117.04 1n2k s TYR 88 Ca 0.67 0.29 0.05 0.00 -1.41 0.00 0.00 57.07 56.67 1n2k s TYR 88 Cb 0.18 0.57 0.02 0.00 -1.10 0.00 0.00 41.96 41.62 1n2k s TYR 88 CO -0.06 -0.87 0.66 -1.25 -2.51 0.00 0.00 175.55 171.51 1n2k s PRO 89 N -3.76 2.74 5.19 -3.49 0.04 -1.26 -3.55 135.00 130.90 1n2k s PRO 89 Ca 0.02 -0.99 0.00 0.00 0.04 0.00 0.00 61.00 60.07 1n2k s PRO 89 Cb -0.01 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1n2k s PRO 89 CO -0.12 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 176.89 1n2k n GLY 90 N -2.06 2.19 3.40 0.56 0.00 -0.87 -4.83 105.19 103.59 1n2k n GLY 90 Ca 0.07 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 1n2k n GLY 90 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n2k s VAL 91 N 0.00 1.60 0.33 1.61 -7.23 -1.26 -4.59 120.40 110.87 1n2k s VAL 91 Ca 0.00 -2.13 -0.26 0.00 -1.81 0.00 0.00 61.98 57.78 1n2k s VAL 91 Cb 0.00 -2.37 -0.10 0.00 0.56 0.00 0.00 36.38 34.47 1n2k s VAL 91 CO 0.00 -0.35 0.95 -0.76 -0.31 0.00 0.00 175.10 174.63 1n2k s LEU 92 N -3.41 4.30 0.37 1.32 1.43 -1.26 -5.05 118.68 116.38 1n2k s LEU 92 Ca 0.28 1.84 0.08 0.00 -1.03 0.00 0.00 54.13 55.30 1n2k s LEU 92 Cb 0.03 -4.06 -0.03 0.00 0.03 0.00 0.00 46.19 42.16 1n2k s LEU 92 CO 0.11 -0.11 0.25 0.68 0.23 0.00 0.00 176.35 177.51 1n2k s VAL 93 N -1.65 2.97 0.35 -1.59 -7.23 -1.26 -4.93 120.40 107.04 1n2k s VAL 93 Ca 0.51 -1.51 0.08 0.00 -1.81 0.00 0.00 61.98 59.26 1n2k s VAL 93 Cb -0.18 -3.04 0.32 0.00 0.56 0.00 0.00 36.38 34.03 1n2k s VAL 93 CO 0.23 -0.11 1.86 1.55 -0.31 0.00 0.00 175.10 178.33 1n2k h PRO 94 N 1.31 0.70 -0.66 4.82 0.13 -1.98 -1.67 132.00 134.65 1n2k h PRO 94 Ca -0.43 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1n2k h PRO 94 Cb 1.26 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1n2k h PRO 94 CO 0.61 0.46 0.00 -1.13 -0.23 0.00 0.00 178.00 177.71 1n2k n SER 95 N -4.58 3.96 -4.76 1.44 3.41 -1.26 -4.46 113.62 107.37 1n2k n SER 95 Ca 0.18 -2.50 -0.41 0.00 -0.26 0.00 0.00 58.87 55.88 1n2k n SER 95 Cb 0.47 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 63.84 1n2k n SER 95 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1n2k s SER 96 N -0.65 6.71 0.33 4.04 0.01 -0.63 -0.31 113.70 123.20 1n2k s SER 96 Ca 0.37 2.67 0.18 0.00 1.31 0.00 0.00 55.95 60.49 1n2k s SER 96 Cb 0.27 -2.64 0.16 0.00 0.21 0.00 0.00 66.02 64.02 1n2k s SER 96 CO 0.14 -0.62 1.47 -0.09 0.41 0.00 0.00 173.24 174.56 1n2k h ARG 97 N 4.20 0.00 0.00 12.44 2.43 -1.60 -3.39 114.38 128.46 1n2k h ARG 97 Ca -0.47 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.54 1n2k h ARG 97 Cb 1.22 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1n2k h ARG 97 CO 0.71 0.28 -0.05 0.41 -1.51 0.00 0.00 179.97 179.81 1n2k n GLY 98 N 1.18 2.48 0.00 2.80 0.00 -1.25 -4.67 105.19 105.73 1n2k n GLY 98 Ca 0.02 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1n2k n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n2k n GLY 99 N 3.01 -1.47 3.64 -0.02 0.00 -1.26 -4.20 105.19 104.89 1n2k n GLY 99 Ca 0.02 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1n2k n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n2k s LEU 100 N 0.00 4.17 0.27 0.99 2.96 0.12 -4.90 118.68 122.29 1n2k s LEU 100 Ca 0.00 2.43 -0.29 0.00 -0.22 0.00 0.00 54.13 56.06 1n2k s LEU 100 Cb 0.00 -3.53 -0.14 0.00 0.50 0.00 0.00 46.19 43.02 1n2k s LEU 100 CO 0.00 -1.29 1.04 -2.65 -1.32 0.00 0.00 176.35 172.14 1n2k n PRO 101 N 7.84 1.35 0.20 0.98 -0.02 -1.26 -4.89 135.00 139.20 1n2k n PRO 101 Ca 0.22 0.48 0.07 0.00 -2.02 0.00 0.00 63.50 62.25 1n2k n PRO 101 Cb 0.42 -1.87 0.39 0.00 -0.02 0.00 0.00 33.50 32.42 1n2k n PRO 101 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1n2k h LEU 102 N 2.24 0.00 -2.46 2.45 3.38 -1.92 -2.62 115.31 116.38 1n2k h LEU 102 Ca -0.40 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1n2k h LEU 102 Cb 1.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 1n2k h LEU 102 CO 0.62 0.33 -0.00 1.05 0.09 0.00 0.00 178.44 180.52 1n2k h GLU 103 N 0.00 0.00 -6.89 1.13 4.11 -1.99 -3.43 114.58 107.51 1n2k h GLU 103 Ca -0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.93 1n2k h GLU 103 Cb 0.81 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.09 1n2k h GLU 103 CO 0.04 0.00 0.47 -1.21 0.07 0.00 0.00 179.01 178.39 1n2k s GLU 104 N -4.01 4.35 -0.35 1.06 0.41 -0.99 -5.03 118.70 114.14 1n2k s GLU 104 Ca -0.03 1.76 -0.09 0.00 -0.41 0.00 0.00 54.97 56.20 1n2k s GLU 104 Cb 0.12 -2.88 0.03 0.00 -1.78 0.00 0.00 34.13 29.62 1n2k s GLU 104 CO 0.46 -0.04 0.16 0.14 -0.49 0.00 0.00 175.26 175.49 1n2k s VAL 105 N -1.36 4.27 0.84 2.63 -7.23 -1.26 -5.03 120.40 113.27 1n2k s VAL 105 Ca 0.51 -0.89 -0.13 0.00 -1.81 0.00 0.00 61.98 59.67 1n2k s VAL 105 Cb -0.29 -3.36 0.10 0.00 0.56 0.00 0.00 36.38 33.39 1n2k s VAL 105 CO 0.37 -0.16 1.21 0.42 -0.31 0.00 0.00 175.10 176.63 1n2k s THR 106 N 1.51 2.00 0.16 5.32 -4.23 -1.26 -4.54 115.64 114.59 1n2k s THR 106 Ca 0.01 -0.00 0.29 0.00 -1.18 0.00 0.00 61.69 60.81 1n2k s THR 106 Cb -0.19 -3.00 0.31 0.00 1.34 0.00 0.00 72.50 70.97 1n2k s THR 106 CO 0.05 0.00 1.93 1.62 -0.54 0.00 0.00 174.62 177.68 1n2k h VAL 107 N -1.18 0.30 -0.06 2.29 3.04 -1.30 -2.42 116.25 116.92 1n2k h VAL 107 Ca -0.46 -0.77 -0.17 0.00 -1.01 0.00 0.00 66.70 64.29 1n2k h VAL 107 Cb 1.31 1.60 -0.01 0.00 -2.01 0.00 0.00 31.29 32.18 1n2k h VAL 107 CO 0.60 0.11 -0.71 0.00 -1.01 0.00 0.00 177.57 176.56 1n2k h ALA 108 N 1.89 0.67 -0.32 3.17 0.00 -1.85 -2.77 119.26 120.06 1n2k h ALA 108 Ca -0.00 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 54.13 1n2k h ALA 108 Cb 0.59 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n2k h ALA 108 CO 0.01 0.77 -0.50 0.93 0.00 0.00 0.00 179.25 180.47 1n2k h GLU 109 N 0.22 0.89 -0.09 0.00 5.08 -1.61 -1.52 114.58 117.56 1n2k h GLU 109 Ca -0.02 -0.54 -0.15 0.00 -1.00 0.00 0.00 59.36 57.65 1n2k h GLU 109 Cb 1.27 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1n2k h GLU 109 CO 0.12 1.18 -0.61 -0.39 -1.00 0.00 0.00 179.01 178.31 1n2k h VAL 110 N 0.70 1.38 0.05 3.13 -1.51 -1.54 -2.93 116.25 115.52 1n2k h VAL 110 Ca 0.03 -1.97 -0.23 0.00 -1.23 0.00 0.00 66.70 63.30 1n2k h VAL 110 Cb 1.10 1.98 -0.01 0.00 -2.13 0.00 0.00 31.29 32.23 1n2k h VAL 110 CO 0.11 0.59 -1.05 -0.07 -1.23 0.00 0.00 177.57 175.92 1n2k h LEU 111 N 0.22 0.24 -0.76 4.19 3.38 -1.50 -3.16 115.31 117.92 1n2k h LEU 111 Ca -0.01 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1n2k h LEU 111 Cb 1.12 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1n2k h LEU 111 CO 0.10 1.13 0.26 0.00 0.09 0.00 0.00 178.44 180.03 1n2k h ALA 112 N 0.84 1.00 0.00 1.53 0.00 -1.25 -1.60 119.26 119.77 1n2k h ALA 112 Ca -0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1n2k h ALA 112 Cb 1.76 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1n2k h ALA 112 CO 0.16 0.66 -0.15 0.00 0.00 0.00 0.00 179.25 179.92 1n2k h ALA 113 N 1.14 1.14 -0.06 0.00 0.00 -1.57 -1.20 119.26 118.71 1n2k h ALA 113 Ca 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1n2k h ALA 113 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1n2k h ALA 113 CO -0.01 0.19 0.00 -2.13 0.00 0.00 0.00 179.25 177.29 1n2k n ARG 114 N -3.47 1.40 -1.81 0.00 3.00 -0.69 -4.90 116.66 110.19 1n2k n ARG 114 Ca -0.01 -0.59 0.00 0.00 -0.00 0.00 0.00 57.85 57.25 1n2k n ARG 114 Cb 0.31 -1.41 0.00 0.00 0.00 0.00 0.00 32.46 31.37 1n2k n ARG 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n2k n GLY 115 N 1.03 0.91 3.75 5.14 0.00 -0.45 -5.04 105.19 110.52 1n2k n GLY 115 Ca 0.18 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1n2k n GLY 115 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n2k s TYR 116 N -2.71 3.29 -0.62 1.61 1.51 -0.71 -4.15 117.35 115.58 1n2k s TYR 116 Ca 0.00 0.28 -0.23 0.00 -1.01 0.00 0.00 57.07 56.11 1n2k s TYR 116 Cb 0.00 -1.82 0.06 0.00 -0.11 0.00 0.00 41.96 40.09 1n2k s TYR 116 CO 0.00 0.55 0.95 -1.17 -1.11 0.00 0.00 175.55 174.77 1n2k s LEU 117 N -1.07 4.29 0.24 -1.29 2.96 0.63 -4.47 118.68 119.96 1n2k s LEU 117 Ca 0.15 -0.76 -0.14 0.00 -0.22 0.00 0.00 54.13 53.17 1n2k s LEU 117 Cb -0.12 -2.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.94 1n2k s LEU 117 CO 0.05 -1.35 0.63 0.42 -1.32 0.00 0.00 176.35 174.78 1n2k s THR 118 N 3.99 4.78 -0.27 3.68 -4.23 -1.26 -0.55 115.64 121.78 1n2k s THR 118 Ca 0.25 0.83 -0.22 0.00 -1.18 0.00 0.00 61.69 61.36 1n2k s THR 118 Cb -0.15 -3.68 0.08 0.00 1.34 0.00 0.00 72.50 70.08 1n2k s THR 118 CO 0.13 0.01 0.73 -0.83 -0.54 0.00 0.00 174.62 174.13 1n2k s GLY 119 N -2.07 -0.54 -0.05 3.99 0.00 0.26 -2.52 107.32 106.39 1n2k s GLY 119 Ca 0.46 2.19 0.06 0.00 0.00 0.00 0.00 44.72 47.43 1n2k s GLY 119 CO 0.19 1.96 -0.23 -0.29 0.00 0.00 0.00 173.10 174.73 1n2k s MET 120 N 0.75 2.30 -0.16 2.90 1.75 -0.91 -0.70 119.30 125.23 1n2k s MET 120 Ca -0.03 -0.82 -0.01 0.00 -1.25 0.00 0.00 55.69 53.58 1n2k s MET 120 Cb -0.05 -1.98 0.04 0.00 2.84 0.00 0.00 34.83 35.69 1n2k s MET 120 CO -0.06 0.35 -0.02 0.00 -0.65 0.00 0.00 175.02 174.65 1n2k s ALA 121 N -0.13 1.24 0.00 4.11 0.00 -0.52 -1.91 121.76 124.55 1n2k s ALA 121 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1n2k s ALA 121 Cb -0.13 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1n2k s ALA 121 CO 0.03 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.35 1n2k n GLY 122 N 4.96 0.46 3.74 0.00 0.00 -0.38 -1.61 105.19 112.36 1n2k n GLY 122 Ca -0.10 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 1n2k n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n2k s LYS 123 N -0.81 4.51 -0.03 1.61 2.20 0.71 -2.63 119.74 125.30 1n2k s LYS 123 Ca 0.00 1.87 -0.03 0.00 -0.36 0.00 0.00 55.97 57.44 1n2k s LYS 123 Cb 0.00 -3.23 -0.01 0.00 -1.51 0.00 0.00 37.83 33.08 1n2k s LYS 123 CO 0.00 -0.05 -0.07 1.87 -0.36 0.00 0.00 175.35 176.75 1n2k n TRP 124 N 2.29 0.00 -2.35 4.03 -0.00 -0.98 -4.72 117.44 115.72 1n2k n TRP 124 Ca 0.03 0.00 -0.16 0.00 -0.00 0.00 0.00 57.50 57.38 1n2k n TRP 124 Cb 0.45 -0.10 -0.01 0.00 -0.00 0.00 0.00 31.31 31.65 1n2k n TRP 124 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 177.69 179.27 1n2k n HIS 125 N -2.92 -1.18 -1.42 5.87 -0.00 -0.40 -4.86 115.22 110.32 1n2k n HIS 125 Ca -0.03 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.22 1n2k n HIS 125 Cb 0.10 -3.20 0.19 0.00 -0.12 0.00 0.00 29.99 26.96 1n2k n HIS 125 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1n2k n LEU 126 N -2.82 2.69 0.00 0.27 4.77 -1.26 -4.44 117.00 116.21 1n2k n LEU 126 Ca -0.18 -3.63 0.00 0.00 -0.03 0.00 0.00 56.01 52.17 1n2k n LEU 126 Cb 0.63 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1n2k n LEU 126 CO 0.22 1.17 0.00 0.61 -1.33 0.00 0.00 177.39 178.06 1n2k n GLY 127 N -1.21 2.32 0.17 -0.72 0.00 -1.26 0.14 105.19 104.63 1n2k n GLY 127 Ca 0.19 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1n2k n GLY 127 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n2k n VAL 128 N 1.67 0.00 -3.80 1.61 0.31 -1.26 -3.96 118.33 112.90 1n2k n VAL 128 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 1n2k n VAL 128 Cb 0.00 -0.61 -0.01 0.00 -0.91 0.00 0.00 33.84 32.31 1n2k n VAL 128 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n2k n GLY 129 N 3.26 -1.38 0.00 2.92 0.00 -1.26 -2.65 105.19 106.08 1n2k n GLY 129 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1n2k n GLY 129 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n2k n PRO 130 N -2.18 0.00 -0.56 1.61 -0.02 -1.26 -3.62 135.00 128.97 1n2k n PRO 130 Ca 0.00 0.05 -0.09 0.00 -2.02 0.00 0.00 63.50 61.44 1n2k n PRO 130 Cb 0.15 -0.60 0.11 0.00 -0.02 0.00 0.00 33.50 33.14 1n2k n PRO 130 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1n2k n GLU 131 N -0.15 1.86 -1.83 -0.52 -0.58 -1.26 -4.77 120.64 113.40 1n2k n GLU 131 Ca 0.00 -1.46 -0.01 0.00 -0.42 0.00 0.00 57.16 55.27 1n2k n GLU 131 Cb 0.00 -1.63 -0.00 0.00 -0.57 0.00 0.00 31.44 29.24 1n2k n GLU 131 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n2k n GLY 132 N -0.17 0.36 0.25 0.62 0.00 -1.16 -4.94 105.19 100.15 1n2k n GLY 132 Ca 0.26 -0.89 0.17 0.00 0.00 0.00 0.00 46.02 45.55 1n2k n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2k h ALA 133 N 0.03 1.00 -0.02 4.61 0.00 -1.76 -2.02 119.26 121.09 1n2k h ALA 133 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n2k h ALA 133 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1n2k h ALA 133 CO 0.02 0.00 -0.17 1.19 0.00 0.00 0.00 179.25 180.29 1n2k n PHE 134 N -2.67 0.00 -1.38 0.00 3.72 -1.16 -4.82 117.46 111.15 1n2k n PHE 134 Ca -0.02 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.06 1n2k n PHE 134 Cb 0.07 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.70 1n2k n PHE 134 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1n2k s LEU 135 N -1.80 3.19 0.32 4.37 1.43 -0.76 -4.71 118.68 120.71 1n2k s LEU 135 Ca 0.18 2.06 0.06 0.00 -1.03 0.00 0.00 54.13 55.40 1n2k s LEU 135 Cb 0.15 -4.55 0.87 0.00 0.03 0.00 0.00 46.19 42.69 1n2k s LEU 135 CO 0.33 -2.12 1.59 -0.65 0.23 0.00 0.00 176.35 175.73 1n2k h PRO 136 N -0.66 0.05 -0.39 1.29 0.11 -1.90 -1.45 132.00 129.05 1n2k h PRO 136 Ca -0.45 -0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.76 1n2k h PRO 136 Cb 1.26 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1n2k h PRO 136 CO 0.50 0.04 0.32 -1.35 -0.21 0.00 0.00 178.00 177.30 1n2k h PRO 137 N 0.05 0.00 -0.00 1.05 0.11 -1.90 0.16 132.00 131.48 1n2k h PRO 137 Ca 0.64 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.75 1n2k h PRO 137 Cb 1.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.54 1n2k h PRO 137 CO -0.83 0.00 -0.51 0.72 -0.21 0.00 0.00 178.00 177.18 1n2k n HIS 138 N -4.14 0.00 -0.46 0.65 8.25 -0.55 -4.06 115.22 114.92 1n2k n HIS 138 Ca 0.06 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.61 1n2k n HIS 138 Cb 0.50 -0.23 0.27 0.00 1.12 0.00 0.00 29.99 31.65 1n2k n HIS 138 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1n2k n GLN 139 N -1.46 3.12 0.00 -0.41 1.13 0.02 -4.96 117.38 114.82 1n2k n GLN 139 Ca 0.06 -2.56 0.00 0.00 -1.94 0.00 0.00 57.00 52.56 1n2k n GLN 139 Cb 0.34 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 29.08 1n2k n GLN 139 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1n2k n GLY 140 N 0.88 0.98 3.71 1.08 0.00 -1.15 -4.21 105.19 106.48 1n2k n GLY 140 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1n2k n GLY 140 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n2k s PHE 141 N -2.00 3.50 -0.01 1.61 0.08 -1.05 -4.46 117.98 115.66 1n2k s PHE 141 Ca 0.00 0.98 -0.25 0.00 0.12 0.00 0.00 56.93 57.78 1n2k s PHE 141 Cb 0.00 -2.65 -0.18 0.00 -0.57 0.00 0.00 43.02 39.62 1n2k s PHE 141 CO 0.00 0.09 1.21 0.45 -0.10 0.00 0.00 175.22 176.87 1n2k h HIS 142 N 6.87 -0.20 -2.82 0.36 3.86 -1.82 -3.37 115.15 118.03 1n2k h HIS 142 Ca -0.39 -0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.19 1n2k h HIS 142 Cb 1.18 0.07 -0.14 0.00 1.06 0.00 0.00 27.41 29.57 1n2k h HIS 142 CO 0.64 0.18 -0.73 1.03 0.86 0.00 0.00 177.93 179.92 1n2k s ARG 143 N -4.40 1.98 -0.25 2.45 0.52 -1.08 -4.96 118.95 113.22 1n2k s ARG 143 Ca -0.14 -1.38 -0.18 0.00 -0.52 0.00 0.00 55.73 53.50 1n2k s ARG 143 Cb 0.02 -2.08 0.07 0.00 0.52 0.00 0.00 34.95 33.48 1n2k s ARG 143 CO 0.58 0.41 0.63 0.12 0.02 0.00 0.00 175.30 177.07 1n2k s PHE 144 N -1.88 -0.83 -0.20 -0.53 5.36 -1.26 -2.15 117.98 116.49 1n2k s PHE 144 Ca 0.26 1.83 -0.04 0.00 -0.96 0.00 0.00 56.93 58.02 1n2k s PHE 144 Cb -0.08 0.39 0.10 0.00 -0.34 0.00 0.00 43.02 43.10 1n2k s PHE 144 CO 0.15 -0.41 0.28 -1.17 -1.46 0.00 0.00 175.22 172.61 1n2k s LEU 145 N 0.95 -0.32 0.00 6.12 2.96 -0.80 -0.66 118.68 126.93 1n2k s LEU 145 Ca -0.05 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 1n2k s LEU 145 Cb -0.05 0.69 0.00 0.00 0.50 0.00 0.00 46.19 47.33 1n2k s LEU 145 CO -0.09 -0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.25 1n2k n GLY 146 N 5.34 -2.25 3.80 7.98 0.00 -0.92 -1.25 105.19 117.89 1n2k n GLY 146 Ca -0.05 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.36 1n2k n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n2k s ILE 147 N -2.22 4.87 -0.94 -0.61 1.01 -1.08 -1.93 121.20 120.30 1n2k s ILE 147 Ca 0.00 1.11 0.10 0.00 0.00 0.00 0.00 60.65 61.86 1n2k s ILE 147 Cb 0.00 -3.85 0.09 0.00 0.01 0.00 0.00 42.46 38.70 1n2k s ILE 147 CO 0.00 0.52 1.32 -2.65 0.00 0.00 0.00 174.94 174.13 1n2k n PRO 148 N 2.08 0.02 -2.43 2.79 -0.02 -1.26 -2.31 135.00 133.86 1n2k n PRO 148 Ca -0.10 0.36 -0.03 0.00 -2.02 0.00 0.00 63.50 61.71 1n2k n PRO 148 Cb 0.51 -1.54 0.01 0.00 -0.02 0.00 0.00 33.50 32.47 1n2k n PRO 148 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1n2k n TYR 149 N -1.57 -1.36 -1.64 6.00 0.18 -1.26 -1.28 117.16 116.24 1n2k n TYR 149 Ca 0.02 -0.77 -0.46 0.00 1.88 0.00 0.00 57.90 58.57 1n2k n TYR 149 Cb 0.11 0.38 -0.03 0.00 -0.38 0.00 0.00 39.34 39.42 1n2k n TYR 149 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1n2k n SER 150 N -1.11 2.17 0.00 9.48 7.64 -1.26 -4.72 113.62 125.82 1n2k n SER 150 Ca -0.03 1.15 0.07 0.00 1.01 0.00 0.00 58.87 61.07 1n2k n SER 150 Cb 0.28 -1.35 0.40 0.00 -1.01 0.00 0.00 64.21 62.53 1n2k n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n2k n HIS 151 N 1.52 0.00 1.00 1.43 1.44 -1.26 -1.49 115.22 117.86 1n2k n HIS 151 Ca 0.12 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.94 1n2k n HIS 151 Cb 0.30 -0.09 -0.05 0.00 0.12 0.00 0.00 29.99 30.26 1n2k n HIS 151 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1n2k n ASP 152 N -1.09 1.49 -4.03 4.39 5.75 -1.26 -4.66 116.55 117.14 1n2k n ASP 152 Ca 0.09 -1.24 -0.43 0.00 -0.01 0.00 0.00 54.79 53.21 1n2k n ASP 152 Cb 0.07 0.73 0.00 0.00 -1.03 0.00 0.00 41.12 40.89 1n2k n ASP 152 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n2k n GLN 153 N -0.78 3.15 0.00 0.11 6.02 -0.56 -1.80 117.38 123.52 1n2k n GLN 153 Ca 0.07 -3.09 0.00 0.00 -0.01 0.00 0.00 57.00 53.97 1n2k n GLN 153 Cb 0.40 -3.23 0.00 0.00 1.02 0.00 0.00 30.24 28.42 1n2k n GLN 153 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n2k n GLY 154 N 4.12 3.93 3.63 1.08 0.00 -1.21 -4.63 105.19 112.11 1n2k n GLY 154 Ca 0.47 -0.43 -0.48 0.00 0.00 0.00 0.00 46.02 45.58 1n2k n GLY 154 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n2k n PRO 155 N -1.11 1.67 -0.20 1.61 -0.04 0.51 -3.70 135.00 133.74 1n2k n PRO 155 Ca 0.00 0.60 0.04 0.00 -0.04 0.00 0.00 63.50 64.10 1n2k n PRO 155 Cb 0.00 -2.27 0.06 0.00 -0.04 0.00 0.00 33.50 31.26 1n2k n PRO 155 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n2k h GLN 157 N 0.00 0.77 0.00 0.00 7.50 -1.82 -2.62 115.11 118.94 1n2k h GLN 157 Ca 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.10 1n2k h GLN 157 Cb 1.08 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 28.43 1n2k h GLN 157 CO 0.00 0.51 -1.04 0.09 -1.50 0.00 0.00 178.83 176.89 1n2k n ASN 158 N -4.74 0.62 -4.77 1.46 3.02 -1.26 -4.60 115.26 104.99 1n2k n ASN 158 Ca 0.13 -0.03 -0.40 0.00 -0.03 0.00 0.00 54.58 54.25 1n2k n ASN 158 Cb 0.26 0.72 -0.02 0.00 -0.61 0.00 0.00 39.78 40.13 1n2k n ASN 158 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n2k s LEU 159 N -4.31 4.38 -0.26 3.41 1.43 -0.99 -4.94 118.68 117.41 1n2k s LEU 159 Ca 0.02 2.62 -0.12 0.00 -1.03 0.00 0.00 54.13 55.62 1n2k s LEU 159 Cb 0.13 -3.72 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 1n2k s LEU 159 CO 0.79 -0.56 0.25 0.28 0.23 0.00 0.00 176.35 177.35 1n2k s THR 160 N -1.18 5.27 -0.08 5.49 -1.32 -1.26 -1.93 115.64 120.63 1n2k s THR 160 Ca 0.50 0.34 0.01 0.00 -1.21 0.00 0.00 61.69 61.33 1n2k s THR 160 Cb -0.38 -3.59 -0.25 0.00 -1.51 0.00 0.00 72.50 66.77 1n2k s THR 160 CO 0.50 0.25 0.54 0.00 -2.21 0.00 0.00 174.62 173.70 1n2k s PHE 162 N -2.58 1.43 0.71 0.00 0.08 -0.95 -1.80 117.98 114.87 1n2k s PHE 162 Ca -0.14 -0.60 -0.13 0.00 0.12 0.00 0.00 56.93 56.18 1n2k s PHE 162 Cb 0.07 -1.11 0.03 0.00 -0.57 0.00 0.00 43.02 41.44 1n2k s PHE 162 CO 0.80 -0.36 1.11 -1.25 -0.10 0.00 0.00 175.22 175.42 1n2k s PRO 163 N 1.06 2.51 0.13 0.24 0.04 -1.26 -0.26 135.00 137.46 1n2k s PRO 163 Ca -0.07 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.22 1n2k s PRO 163 Cb -0.15 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 1n2k s PRO 163 CO -0.01 -1.48 1.41 -1.00 0.04 0.00 0.00 177.00 175.97 1n2k h PRO 164 N -0.42 0.86 -0.39 0.56 0.13 -2.00 -3.44 132.00 127.31 1n2k h PRO 164 Ca -0.46 -0.55 -0.26 0.00 -0.87 0.00 0.00 66.00 63.86 1n2k h PRO 164 Cb 1.25 0.07 -0.26 0.00 0.13 0.00 0.00 31.00 32.18 1n2k h PRO 164 CO 0.52 1.18 -0.71 0.00 -0.23 0.00 0.00 178.00 178.76 1n2k n ALA 165 N -2.57 2.34 -2.54 -0.56 0.00 -1.22 -5.08 120.51 110.87 1n2k n ALA 165 Ca -0.04 -2.03 -0.42 0.00 0.00 0.00 0.00 53.44 50.94 1n2k n ALA 165 Cb 0.63 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 19.07 1n2k n ALA 165 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1n2k s THR 166 N -1.36 4.85 0.88 0.00 2.01 0.64 -5.00 115.64 117.66 1n2k s THR 166 Ca 0.23 0.34 -0.11 0.00 0.31 0.00 0.00 61.69 62.46 1n2k s THR 166 Cb 0.42 -4.15 0.12 0.00 0.01 0.00 0.00 72.50 68.90 1n2k s THR 166 CO -0.05 -0.48 1.15 -2.84 -0.69 0.00 0.00 174.62 171.72 1n2k s PRO 167 N 2.79 1.27 -0.14 4.92 0.02 -1.26 -0.53 135.00 142.07 1n2k s PRO 167 Ca 0.24 1.54 -0.23 0.00 0.02 0.00 0.00 61.00 62.56 1n2k s PRO 167 Cb -0.14 -1.76 -0.02 0.00 0.02 0.00 0.00 34.50 32.60 1n2k s PRO 167 CO 0.17 -2.44 0.73 0.00 -0.33 0.00 0.00 177.00 175.13 1n2k s ASP 169 N 1.06 4.89 0.00 0.00 -4.77 -1.26 -3.75 116.67 112.84 1n2k s ASP 169 Ca 0.35 2.04 0.00 0.00 -3.30 0.00 0.00 52.55 51.65 1n2k s ASP 169 Cb -0.17 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.11 1n2k s ASP 169 CO 0.14 -1.78 0.00 0.61 0.70 0.00 0.00 175.17 174.84 1n2k n GLY 170 N -0.42 2.40 2.80 2.12 0.00 -1.26 -4.40 105.19 106.43 1n2k n GLY 170 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1n2k n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n2k n GLY 171 N 0.00 2.78 7.00 -0.02 0.00 -1.25 -4.92 105.19 108.79 1n2k n GLY 171 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1n2k n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2k s ASP 173 N -4.00 6.16 0.83 0.00 1.11 -0.75 -4.75 116.67 115.27 1n2k s ASP 173 Ca 0.00 1.40 -0.12 0.00 0.18 0.00 0.00 52.55 54.01 1n2k s ASP 173 Cb 0.00 -2.53 0.09 0.00 1.07 0.00 0.00 42.92 41.55 1n2k s ASP 173 CO 0.00 -1.47 1.19 -1.10 1.18 0.00 0.00 175.17 174.97 1n2k s GLN 174 N 5.13 1.82 -1.69 8.23 -1.52 -1.26 -0.36 119.66 130.01 1n2k s GLN 174 Ca 0.74 0.08 0.00 0.00 -1.95 0.00 0.00 55.36 54.23 1n2k s GLN 174 Cb -0.23 -1.94 0.00 0.00 -0.22 0.00 0.00 33.01 30.63 1n2k s GLN 174 CO 0.32 -1.69 0.00 0.41 -0.25 0.00 0.00 175.29 174.07 1n2k n GLY 175 N -3.30 0.95 3.46 3.09 0.00 -1.26 -4.85 105.19 103.29 1n2k n GLY 175 Ca 0.08 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1n2k n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n2k s LEU 176 N -4.27 2.52 0.23 0.99 1.43 -1.26 -4.95 118.68 113.38 1n2k s LEU 176 Ca 0.00 -1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 51.58 1n2k s LEU 176 Cb 0.00 -0.69 -0.09 0.00 0.03 0.00 0.00 46.19 45.44 1n2k s LEU 176 CO 0.00 -0.35 1.03 0.54 0.23 0.00 0.00 176.35 177.80 1n2k s VAL 177 N -2.95 3.85 0.44 -1.59 0.11 -1.26 -4.47 120.40 114.53 1n2k s VAL 177 Ca 0.31 1.78 -0.23 0.00 -2.93 0.00 0.00 61.98 60.90 1n2k s VAL 177 Cb 0.04 -4.13 -0.10 0.00 -1.53 0.00 0.00 36.38 30.66 1n2k s VAL 177 CO 0.13 0.39 0.94 -2.65 -3.33 0.00 0.00 175.10 170.58 1n2k n PRO 178 N 1.66 1.19 -1.68 1.54 -0.02 -1.26 -4.68 135.00 131.76 1n2k n PRO 178 Ca -0.00 0.43 -0.46 0.00 -2.02 0.00 0.00 63.50 61.45 1n2k n PRO 178 Cb 0.46 -1.99 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 1n2k n PRO 178 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1n2k n ILE 179 N -0.70 0.50 -3.32 4.25 -5.35 -1.26 -4.80 119.36 108.68 1n2k n ILE 179 Ca 0.10 -0.09 -0.38 0.00 -0.27 0.00 0.00 62.75 62.11 1n2k n ILE 179 Cb 0.40 -1.96 -0.06 0.00 -1.74 0.00 0.00 39.64 36.28 1n2k n ILE 179 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1n2k s PRO 180 N 3.44 4.18 -0.69 6.28 0.04 -1.26 -4.00 135.00 142.98 1n2k s PRO 180 Ca 0.88 0.62 -0.16 0.00 0.04 0.00 0.00 61.00 62.38 1n2k s PRO 180 Cb -0.60 -3.28 0.16 0.00 0.04 0.00 0.00 34.50 30.81 1n2k s PRO 180 CO 0.45 0.53 0.70 -1.17 0.04 0.00 0.00 177.00 177.56 1n2k s LEU 181 N -0.68 6.10 0.20 -3.56 2.96 0.50 -4.32 118.68 119.89 1n2k s LEU 181 Ca 0.28 -2.06 -0.27 0.00 -0.22 0.00 0.00 54.13 51.85 1n2k s LEU 181 Cb -0.18 -2.25 -0.08 0.00 0.50 0.00 0.00 46.19 44.18 1n2k s LEU 181 CO 0.16 -0.84 0.85 -0.76 -1.32 0.00 0.00 176.35 174.45 1n2k s LEU 182 N 1.44 4.62 -0.41 -0.68 1.43 -0.81 -0.15 118.68 124.11 1n2k s LEU 182 Ca 0.13 1.79 -0.06 0.00 -1.03 0.00 0.00 54.13 54.96 1n2k s LEU 182 Cb -0.19 -3.45 0.09 0.00 0.03 0.00 0.00 46.19 42.67 1n2k s LEU 182 CO -0.02 0.18 0.22 0.00 0.23 0.00 0.00 176.35 176.97 1n2k s ALA 183 N -1.17 3.20 0.00 4.21 0.00 0.19 -2.16 121.76 126.03 1n2k s ALA 183 Ca 0.38 -2.30 0.00 0.00 0.00 0.00 0.00 51.96 50.04 1n2k s ALA 183 Cb -0.24 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1n2k s ALA 183 CO 0.29 -1.70 0.00 0.09 0.00 0.00 0.00 175.76 174.44 1n2k n ASN 184 N 4.77 0.00 -0.53 0.00 3.02 0.16 -1.52 115.26 121.17 1n2k n ASN 184 Ca -0.07 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.57 1n2k n ASN 184 Cb 0.42 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.61 1n2k n ASN 184 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1n2k n LEU 185 N 0.00 2.04 -4.40 3.41 4.77 -1.26 -4.87 117.00 116.69 1n2k n LEU 185 Ca 0.00 -0.83 -0.29 0.00 -0.03 0.00 0.00 56.01 54.85 1n2k n LEU 185 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1n2k n LEU 185 CO 0.00 0.37 -0.56 -0.94 -1.33 0.00 0.00 177.39 174.93 1n2k s SER 186 N -1.97 3.38 0.38 -1.43 1.04 -0.57 -5.05 113.70 109.48 1n2k s SER 186 Ca 0.18 -0.69 -0.27 0.00 0.48 0.00 0.00 55.95 55.65 1n2k s SER 186 Cb 0.15 -0.29 -0.09 0.00 0.10 0.00 0.00 66.02 65.89 1n2k s SER 186 CO 0.40 0.20 1.30 -0.69 0.98 0.00 0.00 173.24 175.42 1n2k s VAL 187 N -1.02 2.68 -0.03 5.02 1.01 -1.26 0.56 120.40 127.36 1n2k s VAL 187 Ca 0.14 0.64 0.04 0.00 0.00 0.00 0.00 61.98 62.80 1n2k s VAL 187 Cb -0.10 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 1n2k s VAL 187 CO 0.06 0.12 0.04 1.21 0.00 0.00 0.00 175.10 176.53 1n2k n GLU 188 N 0.39 2.20 -3.51 2.72 2.13 0.79 -4.76 120.64 120.61 1n2k n GLU 188 Ca 0.02 -0.02 -0.13 0.00 0.66 0.00 0.00 57.16 57.70 1n2k n GLU 188 Cb 0.43 -1.10 -0.04 0.00 0.27 0.00 0.00 31.44 31.00 1n2k n GLU 188 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1n2k s ALA 189 N -2.17 -1.79 -0.30 4.31 0.00 -1.17 -4.99 121.76 115.65 1n2k s ALA 189 Ca -0.02 1.16 -0.06 0.00 0.00 0.00 0.00 51.96 53.05 1n2k s ALA 189 Cb 0.02 0.08 0.19 0.00 0.00 0.00 0.00 23.12 23.40 1n2k s ALA 189 CO 0.17 -0.50 0.91 -1.14 0.00 0.00 0.00 175.76 175.20 1n2k s GLN 190 N -2.09 0.28 0.30 0.00 0.74 -0.52 -0.37 119.66 118.00 1n2k s GLN 190 Ca -0.03 0.23 -0.11 0.00 0.05 0.00 0.00 55.36 55.50 1n2k s GLN 190 Cb -0.01 0.11 -0.07 0.00 1.10 0.00 0.00 33.01 34.14 1n2k s GLN 190 CO -0.01 -0.50 0.65 -2.14 -0.55 0.00 0.00 175.29 172.73 1n2k s PRO 191 N 2.83 3.83 0.82 1.67 0.02 -1.26 -0.51 135.00 142.39 1n2k s PRO 191 Ca 0.22 0.38 -0.12 0.00 0.02 0.00 0.00 61.00 61.50 1n2k s PRO 191 Cb -0.04 -2.54 0.08 0.00 0.02 0.00 0.00 34.50 32.03 1n2k s PRO 191 CO -0.23 0.19 1.10 -1.25 -0.33 0.00 0.00 177.00 176.48 1n2k s PRO 192 N -3.18 1.89 -0.63 5.54 0.04 -1.26 -4.46 135.00 132.94 1n2k s PRO 192 Ca 0.49 0.64 -0.24 0.00 0.04 0.00 0.00 61.00 61.93 1n2k s PRO 192 Cb -0.11 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.59 1n2k s PRO 192 CO 0.24 -1.76 1.04 -0.46 0.04 0.00 0.00 177.00 176.10 1n2k s TRP 193 N -3.13 2.63 0.27 0.56 -0.00 -1.26 -4.92 118.94 113.08 1n2k s TRP 193 Ca 0.61 -0.19 -0.01 0.00 -0.00 0.00 0.00 56.10 56.51 1n2k s TRP 193 Cb -0.15 -4.30 0.50 0.00 -0.00 0.00 0.00 33.47 29.51 1n2k s TRP 193 CO 0.55 -1.63 1.81 -0.07 -0.00 0.00 0.00 176.95 177.61 1n2k h LEU 194 N 11.61 0.77 0.00 5.86 3.38 -1.94 -0.06 115.31 134.94 1n2k h LEU 194 Ca -0.27 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1n2k h LEU 194 Cb 1.07 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1n2k h LEU 194 CO 1.17 0.41 0.00 -2.65 0.09 0.00 0.00 178.44 177.46 1n2k n PRO 195 N -4.71 0.33 -0.11 1.13 -0.02 -1.26 -2.46 135.00 127.90 1n2k n PRO 195 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1n2k n PRO 195 Cb 0.34 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 1n2k n PRO 195 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n2k n GLY 196 N -0.30 -1.55 0.17 -1.23 0.00 -0.21 -3.96 105.19 98.11 1n2k n GLY 196 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 1n2k n GLY 196 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n2k h LEU 197 N 0.00 0.32 -0.42 0.99 5.85 -0.76 -3.23 115.31 118.06 1n2k h LEU 197 Ca 0.00 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1n2k h LEU 197 Cb 1.07 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1n2k h LEU 197 CO 0.00 0.86 0.28 -0.08 -0.34 0.00 0.00 178.44 179.16 1n2k h GLU 198 N 0.20 0.55 -0.76 1.25 4.57 -1.87 -2.78 114.58 115.74 1n2k h GLU 198 Ca -0.01 -0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.22 1n2k h GLU 198 Cb 1.15 -0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 29.55 1n2k h GLU 198 CO 0.10 0.36 0.42 0.00 -1.18 0.00 0.00 179.01 178.71 1n2k h ALA 199 N 1.16 1.06 -0.67 2.92 0.00 -1.93 -0.75 119.26 121.05 1n2k h ALA 199 Ca 0.15 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1n2k h ALA 199 Cb -0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1n2k h ALA 199 CO -0.04 0.05 0.44 0.00 0.00 0.00 0.00 179.25 179.71 1n2k h ARG 200 N 0.72 0.71 -0.27 0.00 3.08 -1.56 -0.92 114.38 116.14 1n2k h ARG 200 Ca 0.36 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.25 1n2k h ARG 200 Cb 0.33 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1n2k h ARG 200 CO -0.24 0.47 -0.32 1.88 -1.07 0.00 0.00 179.97 180.69 1n2k h TYR 201 N 0.73 0.84 -0.66 3.04 0.05 -1.05 -2.15 116.97 117.78 1n2k h TYR 201 Ca 0.28 -0.26 -0.07 0.00 0.05 0.00 0.00 58.73 58.73 1n2k h TYR 201 Cb 0.19 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.73 1n2k h TYR 201 CO -0.00 1.02 0.14 0.52 -1.05 0.00 0.00 178.16 178.79 1n2k h MET 202 N 0.43 1.07 -0.13 4.88 2.86 -0.73 0.16 114.93 123.47 1n2k h MET 202 Ca 0.04 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1n2k h MET 202 Cb 0.89 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1n2k h MET 202 CO 0.08 0.97 0.06 0.00 1.06 0.00 0.00 176.91 179.07 1n2k h ALA 203 N 1.06 0.16 -0.99 6.32 0.00 -1.19 0.12 119.26 124.73 1n2k h ALA 203 Ca 0.20 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1n2k h ALA 203 Cb 0.39 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1n2k h ALA 203 CO 0.01 -0.26 0.64 0.35 0.00 0.00 0.00 179.25 179.98 1n2k h PHE 204 N 0.07 1.19 -0.12 0.00 3.57 -1.17 -1.42 116.94 119.06 1n2k h PHE 204 Ca 0.04 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1n2k h PHE 204 Cb 0.14 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 38.49 1n2k h PHE 204 CO -0.02 0.62 -0.02 0.00 -2.23 0.00 0.00 178.31 176.66 1n2k h ALA 205 N 1.45 0.17 -0.74 2.41 0.00 -0.59 -2.08 119.26 119.87 1n2k h ALA 205 Ca 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1n2k h ALA 205 Cb 0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1n2k h ALA 205 CO -0.17 -0.10 0.43 1.25 0.00 0.00 0.00 179.25 180.65 1n2k h HIS 206 N -0.08 0.98 -0.36 0.00 -0.00 -0.59 -2.00 115.15 113.10 1n2k h HIS 206 Ca 0.03 -0.01 -0.14 0.00 -0.00 0.00 0.00 60.37 60.25 1n2k h HIS 206 Cb 0.43 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 1n2k h HIS 206 CO 0.05 0.67 -0.32 -0.44 -0.00 0.00 0.00 177.93 177.88 1n2k h ASP 207 N 1.02 0.91 -0.54 3.26 3.32 -1.25 -1.50 116.42 121.65 1n2k h ASP 207 Ca 0.26 -0.46 0.03 0.00 0.02 0.00 0.00 57.03 56.88 1n2k h ASP 207 Cb -0.01 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 1n2k h ASP 207 CO -0.05 1.18 0.32 0.25 -1.72 0.00 0.00 179.24 179.22 1n2k h LEU 208 N 0.66 0.52 -0.35 1.55 5.85 -0.91 0.38 115.31 123.00 1n2k h LEU 208 Ca 0.06 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 1n2k h LEU 208 Cb 0.91 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1n2k h LEU 208 CO 0.08 0.36 -0.27 0.24 -0.34 0.00 0.00 178.44 178.52 1n2k h MET 209 N 0.64 0.80 0.07 1.25 2.86 -1.34 -2.04 114.93 117.17 1n2k h MET 209 Ca 0.22 -0.39 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1n2k h MET 209 Cb 0.03 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1n2k h MET 209 CO -0.10 1.03 -0.03 0.00 1.06 0.00 0.00 176.91 178.86 1n2k h ALA 210 N 0.76 -0.09 -0.87 6.32 0.00 -0.95 -0.22 119.26 124.21 1n2k h ALA 210 Ca 0.07 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1n2k h ALA 210 Cb 0.84 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1n2k h ALA 210 CO 0.07 -0.50 0.57 -0.44 0.00 0.00 0.00 179.25 178.95 1n2k h ASP 211 N -0.19 0.94 -0.35 0.00 5.19 -0.95 -1.97 116.42 119.08 1n2k h ASP 211 Ca -0.01 -0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 56.26 1n2k h ASP 211 Cb 0.17 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 1n2k h ASP 211 CO 0.02 0.66 -0.23 0.00 -3.12 0.00 0.00 179.24 176.56 1n2k h ALA 212 N 1.49 0.81 -0.14 3.45 0.00 -1.09 -2.62 119.26 121.15 1n2k h ALA 212 Ca 0.34 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1n2k h ALA 212 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1n2k h ALA 212 CO -0.10 0.65 0.04 0.37 0.00 0.00 0.00 179.25 180.21 1n2k h GLN 213 N 0.74 0.22 0.00 0.00 4.15 -0.34 -0.31 115.11 119.57 1n2k h GLN 213 Ca 0.10 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.42 1n2k h GLN 213 Cb 0.77 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 1n2k h GLN 213 CO 0.06 0.36 -0.24 0.07 -1.93 0.00 0.00 178.83 177.15 1n2k h ARG 214 N 0.04 0.00 -0.03 1.69 0.11 -1.40 -2.11 114.38 112.68 1n2k h ARG 214 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1n2k h ARG 214 Cb 0.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.32 1n2k h ARG 214 CO -0.00 0.24 0.00 1.04 0.10 0.00 0.00 179.97 181.35 1n2k n GLN 215 N -3.74 1.46 -3.78 0.08 6.02 -0.99 -4.91 117.38 111.52 1n2k n GLN 215 Ca -0.01 -0.68 -0.25 0.00 -0.01 0.00 0.00 57.00 56.05 1n2k n GLN 215 Cb 0.35 -1.46 0.03 0.00 1.02 0.00 0.00 30.24 30.18 1n2k n GLN 215 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1n2k n ASP 216 N -0.16 -2.51 -3.98 1.08 2.03 -0.80 -4.98 116.55 107.23 1n2k n ASP 216 Ca 0.19 -0.80 -0.21 0.00 0.52 0.00 0.00 54.79 54.49 1n2k n ASP 216 Cb 0.27 -4.00 -0.16 0.00 -0.72 0.00 0.00 41.12 36.51 1n2k n ASP 216 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1n2k s ARG 217 N -6.22 1.14 0.38 -0.67 3.52 -0.15 -5.05 118.95 111.89 1n2k s ARG 217 Ca 0.24 -0.29 -0.26 0.00 -0.13 0.00 0.00 55.73 55.29 1n2k s ARG 217 Cb -0.12 -1.03 -0.09 0.00 -1.56 0.00 0.00 34.95 32.15 1n2k s ARG 217 CO 0.82 0.05 1.18 -1.25 -0.81 0.00 0.00 175.30 175.29 1n2k s PRO 218 N 0.49 4.16 0.26 5.12 0.04 -1.26 -4.16 135.00 139.66 1n2k s PRO 218 Ca -0.08 1.90 0.08 0.00 0.04 0.00 0.00 61.00 62.93 1n2k s PRO 218 Cb -0.12 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 1n2k s PRO 218 CO 0.01 -0.24 0.13 -0.59 0.04 0.00 0.00 177.00 176.35 1n2k s PHE 219 N -1.34 2.95 -0.24 0.56 -0.12 -1.26 -0.27 117.98 118.26 1n2k s PHE 219 Ca 0.54 -0.16 -0.03 0.00 -0.05 0.00 0.00 56.93 57.23 1n2k s PHE 219 Cb -0.32 -1.35 0.08 0.00 -0.63 0.00 0.00 43.02 40.79 1n2k s PHE 219 CO 0.41 0.54 0.09 0.12 -0.05 0.00 0.00 175.22 176.33 1n2k s PHE 220 N -2.21 0.72 -0.41 3.49 5.36 0.28 -2.16 117.98 123.05 1n2k s PHE 220 Ca 0.33 -0.88 -0.11 0.00 -0.96 0.00 0.00 56.93 55.31 1n2k s PHE 220 Cb -0.07 -1.02 0.05 0.00 -0.34 0.00 0.00 43.02 41.64 1n2k s PHE 220 CO 0.23 -0.70 0.26 -1.17 -1.46 0.00 0.00 175.22 172.39 1n2k s LEU 221 N 1.96 5.06 -0.61 6.12 2.96 -0.60 -0.57 118.68 133.00 1n2k s LEU 221 Ca 0.05 -1.23 -0.20 0.00 -0.22 0.00 0.00 54.13 52.53 1n2k s LEU 221 Cb -0.17 -2.05 0.10 0.00 0.50 0.00 0.00 46.19 44.57 1n2k s LEU 221 CO -0.20 -0.49 0.76 -0.47 -1.32 0.00 0.00 176.35 174.63 1n2k s TYR 222 N 1.53 2.93 -0.81 5.38 5.04 0.12 -0.37 117.35 131.18 1n2k s TYR 222 Ca 0.03 -0.88 -0.14 0.00 -2.44 0.00 0.00 57.07 53.63 1n2k s TYR 222 Cb -0.21 -4.07 0.21 0.00 0.35 0.00 0.00 41.96 38.23 1n2k s TYR 222 CO 0.05 -1.37 0.76 -0.47 -1.34 0.00 0.00 175.55 173.18 1n2k s TYR 223 N 2.97 3.69 -0.98 4.97 5.04 0.76 -1.44 117.35 132.36 1n2k s TYR 223 Ca 0.14 -1.91 -0.16 0.00 -2.44 0.00 0.00 57.07 52.70 1n2k s TYR 223 Cb -0.23 -3.84 0.16 0.00 0.35 0.00 0.00 41.96 38.41 1n2k s TYR 223 CO 0.07 -1.01 1.13 0.00 -1.34 0.00 0.00 175.55 174.40 1n2k s ALA 224 N 0.39 3.69 0.74 3.97 0.00 -0.63 0.03 121.76 129.95 1n2k s ALA 224 Ca 0.17 -3.04 -0.14 0.00 0.00 0.00 0.00 51.96 48.95 1n2k s ALA 224 Cb -0.12 -3.95 0.05 0.00 0.00 0.00 0.00 23.12 19.10 1n2k s ALA 224 CO -0.08 -2.78 1.18 0.45 0.00 0.00 0.00 175.76 174.53 1n2k s SER 225 N 3.10 4.20 0.00 0.00 0.15 -0.58 -0.20 113.70 120.36 1n2k s SER 225 Ca 0.32 2.26 0.25 0.00 0.70 0.00 0.00 55.95 59.48 1n2k s SER 225 Cb -0.06 -2.58 0.45 0.00 -1.71 0.00 0.00 66.02 62.12 1n2k s SER 225 CO -0.07 -2.26 1.37 1.41 1.20 0.00 0.00 173.24 174.89 1n2k n HIS 226 N -2.88 0.00 -1.74 3.44 8.25 -1.26 -4.00 115.22 117.04 1n2k n HIS 226 Ca 0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.17 1n2k n HIS 226 Cb 0.51 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 1n2k n HIS 226 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1n2k s HIS 227 N -2.54 2.91 -0.06 4.41 3.76 -1.26 -2.45 115.29 120.05 1n2k s HIS 227 Ca 0.21 0.36 0.00 0.00 -0.15 0.00 0.00 55.06 55.48 1n2k s HIS 227 Cb 0.19 -4.13 0.00 0.00 1.11 0.00 0.00 32.58 29.74 1n2k s HIS 227 CO 0.56 -4.28 0.00 0.25 -0.85 0.00 0.00 174.74 170.42 1n2k n THR 228 N 3.96 0.00 -4.01 1.30 -2.24 -1.26 -2.60 114.28 109.43 1n2k n THR 228 Ca 0.16 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.62 1n2k n THR 228 Cb 0.35 -0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 1n2k n THR 228 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1n2k s HIS 229 N -1.99 3.35 0.30 4.78 5.04 -1.03 -4.53 115.29 121.20 1n2k s HIS 229 Ca 0.00 0.19 -0.28 0.00 -1.54 0.00 0.00 55.06 53.44 1n2k s HIS 229 Cb 0.00 -1.71 -0.09 0.00 0.04 0.00 0.00 32.58 30.81 1n2k s HIS 229 CO 0.00 0.56 0.98 -0.47 -2.34 0.00 0.00 174.74 173.48 1n2k s TYR 230 N -1.36 3.71 0.40 3.88 5.04 -1.26 -3.86 117.35 123.90 1n2k s TYR 230 Ca 0.29 1.79 -0.23 0.00 -2.44 0.00 0.00 57.07 56.48 1n2k s TYR 230 Cb -0.12 -3.03 -0.10 0.00 0.35 0.00 0.00 41.96 39.05 1n2k s TYR 230 CO 0.21 0.05 0.96 -1.25 -1.34 0.00 0.00 175.55 174.17 1n2k s PRO 231 N -1.73 4.32 -0.04 4.97 0.04 -1.26 -4.07 135.00 137.24 1n2k s PRO 231 Ca 0.47 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 1n2k s PRO 231 Cb -0.24 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 1n2k s PRO 231 CO 0.30 0.04 1.27 -0.65 0.04 0.00 0.00 177.00 178.01 1n2k s GLN 232 N -2.78 4.33 0.25 4.56 -1.52 -1.25 -4.98 119.66 118.26 1n2k s GLN 232 Ca 0.58 1.78 0.02 0.00 -1.95 0.00 0.00 55.36 55.79 1n2k s GLN 232 Cb -0.13 -3.56 -0.05 0.00 -0.22 0.00 0.00 33.01 29.04 1n2k s GLN 232 CO 0.18 -0.49 0.06 -0.59 -0.25 0.00 0.00 175.29 174.19 1n2k s PHE 233 N 2.28 1.57 0.09 0.91 -0.12 -1.26 -4.78 117.98 116.67 1n2k s PHE 233 Ca 0.59 -1.07 -0.27 0.00 -0.05 0.00 0.00 56.93 56.13 1n2k s PHE 233 Cb -0.27 -0.93 0.09 0.00 -0.63 0.00 0.00 43.02 41.27 1n2k s PHE 233 CO 0.23 -0.20 1.10 0.45 -0.05 0.00 0.00 175.22 176.76 1n2k s SER 234 N -3.32 -0.10 0.42 1.98 0.15 -0.74 -4.19 113.70 107.89 1n2k s SER 234 Ca 0.34 -0.34 0.04 0.00 0.70 0.00 0.00 55.95 56.69 1n2k s SER 234 Cb 0.07 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1n2k s SER 234 CO 0.12 -0.67 0.59 -0.83 1.20 0.00 0.00 173.24 173.65 1n2k s GLY 235 N -3.05 1.68 0.59 9.45 0.00 -1.25 -4.14 107.32 110.58 1n2k s GLY 235 Ca 0.15 -1.35 0.29 0.00 0.00 0.00 0.00 44.72 43.81 1n2k s GLY 235 CO 0.00 -1.19 2.03 -1.61 0.00 0.00 0.00 173.10 172.33 1n2k h GLN 236 N 0.57 0.00 0.00 2.90 4.15 -1.90 -1.09 115.11 119.74 1n2k h GLN 236 Ca -0.44 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.95 1n2k h GLN 236 Cb 1.27 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.95 1n2k h GLN 236 CO 0.53 0.00 -0.13 0.77 -1.93 0.00 0.00 178.83 178.07 1n2k h SER 237 N 0.00 0.00 -0.00 -0.69 0.02 -1.95 -3.20 113.55 107.73 1n2k h SER 237 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1n2k h SER 237 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1n2k h SER 237 CO -0.00 0.13 -0.04 0.49 -1.14 0.00 0.00 176.83 176.26 1n2k n PHE 238 N -3.80 0.00 -1.59 3.45 3.72 -0.47 -4.91 117.46 113.86 1n2k n PHE 238 Ca -0.02 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.93 1n2k n PHE 238 Cb 0.23 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.73 1n2k n PHE 238 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1n2k n ALA 239 N -0.70 1.55 -3.48 4.37 0.00 -0.88 -1.80 120.51 119.57 1n2k n ALA 239 Ca 0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.17 1n2k n ALA 239 Cb 0.03 -2.78 0.09 0.00 0.00 0.00 0.00 19.45 16.78 1n2k n ALA 239 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1n2k n GLU 240 N 8.25 -6.99 0.00 0.00 1.02 -1.26 -4.93 120.64 116.73 1n2k n GLU 240 Ca 0.29 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 58.28 1n2k n GLU 240 Cb 0.39 -5.87 0.00 0.00 -0.02 0.00 0.00 31.44 25.94 1n2k n GLU 240 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1n2k n ARG 241 N -4.37 2.99 0.02 3.49 5.12 -0.74 -4.81 116.66 118.35 1n2k n ARG 241 Ca -0.21 -0.13 -0.22 0.00 -1.93 0.00 0.00 57.85 55.36 1n2k n ARG 241 Cb 0.64 -0.54 -0.14 0.00 -1.16 0.00 0.00 32.46 31.26 1n2k n ARG 241 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1n2k h SER 242 N 0.00 0.43 0.00 0.55 4.64 -1.86 -3.49 113.55 113.82 1n2k h SER 242 Ca 0.00 -0.89 0.00 0.00 -0.47 0.00 0.00 61.79 60.43 1n2k h SER 242 Cb 0.05 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1n2k h SER 242 CO 0.00 1.76 0.00 0.61 -0.87 0.00 0.00 176.83 178.33 1n2k n GLY 243 N 1.86 0.27 0.58 -0.77 0.00 -1.26 -4.57 105.19 101.29 1n2k n GLY 243 Ca -0.28 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.79 1n2k n GLY 243 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1n2k n ARG 244 N -1.87 2.88 0.00 1.61 0.63 -1.26 -4.99 116.66 113.66 1n2k n ARG 244 Ca 0.00 -2.05 0.00 0.00 -0.92 0.00 0.00 57.85 54.88 1n2k n ARG 244 Cb 0.00 -1.28 0.00 0.00 0.45 0.00 0.00 32.46 31.63 1n2k n ARG 244 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1n2k n GLY 245 N 0.30 -1.42 0.28 5.14 0.00 -1.26 -3.78 105.19 104.44 1n2k n GLY 245 Ca 0.11 -1.29 0.01 0.00 0.00 0.00 0.00 46.02 44.84 1n2k n GLY 245 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n2k h PRO 246 N 0.00 -0.01 -0.71 1.61 0.11 -1.98 0.78 132.00 131.80 1n2k h PRO 246 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 1n2k h PRO 246 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 1n2k h PRO 246 CO 0.00 -0.01 0.26 0.35 -0.21 0.00 0.00 178.00 178.39 1n2k h PHE 247 N -0.01 1.09 -0.46 0.65 3.04 -1.82 -2.22 116.94 117.21 1n2k h PHE 247 Ca 0.34 -0.09 -0.04 0.00 3.98 0.00 0.00 57.97 62.16 1n2k h PHE 247 Cb 0.54 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 1n2k h PHE 247 CO -0.59 0.85 0.12 0.78 -2.02 0.00 0.00 178.31 177.44 1n2k h GLY 248 N 1.10 0.79 1.03 2.40 0.00 -1.03 -1.75 103.07 105.61 1n2k h GLY 248 Ca 0.24 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 1n2k h GLY 248 CO -0.02 0.46 0.40 -0.55 0.00 0.00 0.00 176.54 176.83 1n2k h ASP 249 N 0.62 1.08 -0.56 0.19 3.32 -0.82 0.14 116.42 120.38 1n2k h ASP 249 Ca 0.15 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 1n2k h ASP 249 Cb 0.31 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1n2k h ASP 249 CO 0.00 0.91 0.05 -1.28 -1.72 0.00 0.00 179.24 177.20 1n2k h SER 250 N 1.17 0.95 0.03 6.45 0.87 -1.28 -2.23 113.55 119.51 1n2k h SER 250 Ca 0.28 -0.24 -0.19 0.00 -1.23 0.00 0.00 61.79 60.42 1n2k h SER 250 Cb 0.12 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1n2k h SER 250 CO -0.04 0.98 -0.67 0.25 -0.53 0.00 0.00 176.83 176.83 1n2k h LEU 251 N 0.92 0.70 -1.45 2.23 5.85 -0.90 -2.79 115.31 119.87 1n2k h LEU 251 Ca 0.18 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1n2k h LEU 251 Cb 0.47 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1n2k h LEU 251 CO 0.02 1.18 -0.00 -0.03 -0.34 0.00 0.00 178.44 179.26 1n2k h MET 252 N 0.43 0.35 -0.17 1.25 4.05 -0.50 0.51 114.93 120.85 1n2k h MET 252 Ca -0.02 -0.06 -0.13 0.00 -0.28 0.00 0.00 59.70 59.21 1n2k h MET 252 Cb 1.26 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 1n2k h MET 252 CO 0.13 0.39 -0.40 1.49 0.23 0.00 0.00 176.91 178.74 1n2k h GLU 253 N 0.35 0.57 -0.96 0.39 4.81 -1.33 -0.48 114.58 117.92 1n2k h GLU 253 Ca 0.08 -0.39 -0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1n2k h GLU 253 Cb 0.24 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 1n2k h GLU 253 CO 0.01 1.00 0.59 1.25 -0.73 0.00 0.00 179.01 181.13 1n2k h LEU 254 N 0.22 1.14 -0.33 1.64 6.46 -1.17 0.58 115.31 123.86 1n2k h LEU 254 Ca -0.00 -0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 1n2k h LEU 254 Cb 1.01 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 1n2k h LEU 254 CO 0.09 0.87 0.06 -0.78 -0.62 0.00 0.00 178.44 178.06 1n2k h ASP 255 N 1.32 0.52 -0.64 1.25 3.58 -0.78 -2.64 116.42 119.03 1n2k h ASP 255 Ca 0.34 -0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.51 1n2k h ASP 255 Cb -0.07 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 1n2k h ASP 255 CO -0.07 0.64 0.26 0.00 -2.88 0.00 0.00 179.24 177.20 1n2k h ALA 256 N 0.90 1.22 -0.49 -0.78 0.00 -0.56 -1.83 119.26 117.72 1n2k h ALA 256 Ca 0.10 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1n2k h ALA 256 Cb 0.33 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1n2k h ALA 256 CO 0.00 0.57 0.32 0.00 0.00 0.00 0.00 179.25 180.15 1n2k h ALA 257 N 1.33 1.79 -0.28 0.00 0.00 -0.63 0.01 119.26 121.49 1n2k h ALA 257 Ca 0.22 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 1n2k h ALA 257 Cb 0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1n2k h ALA 257 CO -0.02 0.15 -0.52 0.28 0.00 0.00 0.00 179.25 179.14 1n2k h VAL 258 N 0.53 1.28 -0.47 0.00 2.07 -1.01 -2.43 116.25 116.23 1n2k h VAL 258 Ca 0.20 -1.71 -0.03 0.00 0.82 0.00 0.00 66.70 65.98 1n2k h VAL 258 Cb 0.12 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1n2k h VAL 258 CO -0.05 0.56 0.19 1.23 0.02 0.00 0.00 177.57 179.51 1n2k h GLY 259 N 0.80 0.76 1.11 2.17 0.00 -0.51 -1.80 103.07 105.59 1n2k h GLY 259 Ca 0.02 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 1n2k h GLY 259 CO 0.11 0.39 0.13 -0.91 0.00 0.00 0.00 176.54 176.26 1n2k h THR 260 N 0.62 1.26 -0.36 4.70 1.35 -1.05 0.26 112.91 119.68 1n2k h THR 260 Ca 0.16 -1.01 -0.05 0.00 -0.55 0.00 0.00 66.41 64.96 1n2k h THR 260 Cb 0.19 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 67.20 1n2k h THR 260 CO -0.01 0.38 0.00 -0.07 -0.25 0.00 0.00 175.52 175.57 1n2k h LEU 261 N 1.03 0.53 -0.24 3.87 3.38 -1.26 0.99 115.31 123.62 1n2k h LEU 261 Ca 0.21 -0.10 -0.20 0.00 0.09 0.00 0.00 57.88 57.88 1n2k h LEU 261 Cb 0.41 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1n2k h LEU 261 CO 0.01 0.60 -0.63 0.24 0.09 0.00 0.00 178.44 178.75 1n2k h MET 262 N 0.54 0.84 -0.48 1.13 2.86 -0.78 -1.97 114.93 117.07 1n2k h MET 262 Ca 0.11 -0.59 -0.02 0.00 -2.06 0.00 0.00 59.70 57.14 1n2k h MET 262 Cb 0.34 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1n2k h MET 262 CO 0.01 1.21 0.22 1.15 1.06 0.00 0.00 176.91 180.56 1n2k h THR 263 N 0.61 1.20 -0.55 2.22 2.02 -0.47 0.73 112.91 118.66 1n2k h THR 263 Ca -0.01 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1n2k h THR 263 Cb 1.24 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 1n2k h THR 263 CO 0.14 0.22 0.35 0.00 0.37 0.00 0.00 175.52 176.60 1n2k h ALA 264 N 1.06 0.69 0.00 6.16 0.00 -0.77 0.17 119.26 126.57 1n2k h ALA 264 Ca 0.16 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1n2k h ALA 264 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1n2k h ALA 264 CO -0.02 0.15 -0.32 0.82 0.00 0.00 0.00 179.25 179.88 1n2k h ILE 265 N 0.74 1.11 -0.08 0.00 2.04 -1.07 -2.37 117.51 117.88 1n2k h ILE 265 Ca 0.20 -1.15 -0.21 0.00 1.00 0.00 0.00 64.86 64.69 1n2k h ILE 265 Cb -0.06 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1n2k h ILE 265 CO -0.04 0.32 -0.82 1.23 0.00 0.00 0.00 178.15 178.84 1n2k h GLY 266 N 1.15 0.63 1.79 5.37 0.00 0.42 -0.58 103.07 111.85 1n2k h GLY 266 Ca -0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 47.33 46.29 1n2k h GLY 266 CO 0.04 0.85 -0.31 -0.55 0.00 0.00 0.00 176.54 176.56 1n2k h ASP 267 N 0.37 0.25 0.41 0.19 3.32 -0.36 -2.16 116.42 118.44 1n2k h ASP 267 Ca -0.06 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1n2k h ASP 267 Cb 1.43 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.91 1n2k h ASP 267 CO 0.15 0.56 -0.18 0.18 -1.72 0.00 0.00 179.24 178.23 1n2k n LEU 268 N -4.11 0.55 -3.15 1.55 4.77 -0.92 -4.95 117.00 110.74 1n2k n LEU 268 Ca -0.01 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.81 1n2k n LEU 268 Cb 0.41 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.37 1n2k n LEU 268 CO 0.40 0.11 0.10 0.61 -1.33 0.00 0.00 177.39 177.28 1n2k n GLY 269 N 1.34 -0.29 0.15 -0.72 0.00 -0.81 -4.95 105.19 99.92 1n2k n GLY 269 Ca 0.12 0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.21 1n2k n GLY 269 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n2k n LEU 270 N -3.75 1.41 -0.32 0.99 4.77 -0.28 -4.85 117.00 114.97 1n2k n LEU 270 Ca -0.25 -1.10 -0.02 0.00 -0.03 0.00 0.00 56.01 54.61 1n2k n LEU 270 Cb 0.65 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.75 1n2k n LEU 270 CO 0.54 0.32 0.47 0.18 -1.33 0.00 0.00 177.39 177.56 1n2k n LEU 271 N 0.17 -0.58 -0.04 2.23 4.77 -1.25 0.68 117.00 122.98 1n2k n LEU 271 Ca 0.02 1.43 0.15 0.00 -0.03 0.00 0.00 56.01 57.58 1n2k n LEU 271 Cb 0.11 -0.31 0.72 0.00 -2.33 0.00 0.00 43.42 41.62 1n2k n LEU 271 CO 0.02 -1.27 0.98 -0.62 -1.33 0.00 0.00 177.39 175.17 1n2k n GLU 272 N -5.18 0.56 -0.34 3.23 1.02 -1.26 -3.23 120.64 115.44 1n2k n GLU 272 Ca 0.07 -0.08 0.08 0.00 -0.02 0.00 0.00 57.16 57.21 1n2k n GLU 272 Cb 0.31 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.45 1n2k n GLU 272 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1n2k n GLU 273 N -1.15 2.86 -3.85 3.49 1.02 0.21 -4.80 120.64 118.42 1n2k n GLU 273 Ca 0.15 -2.56 -0.17 0.00 -0.02 0.00 0.00 57.16 54.56 1n2k n GLU 273 Cb 0.24 -1.64 -0.16 0.00 -0.02 0.00 0.00 31.44 29.86 1n2k n GLU 273 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1n2k s THR 274 N -2.22 0.08 -0.34 2.62 2.01 -0.55 -0.83 115.64 116.40 1n2k s THR 274 Ca 0.35 0.16 -0.13 0.00 0.31 0.00 0.00 61.69 62.39 1n2k s THR 274 Cb 0.26 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.56 1n2k s THR 274 CO 0.11 0.13 0.24 -0.22 -0.69 0.00 0.00 174.62 174.18 1n2k s LEU 275 N 1.17 4.52 -0.14 4.42 2.96 0.24 -4.50 118.68 127.34 1n2k s LEU 275 Ca -0.08 -0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 53.34 1n2k s LEU 275 Cb -0.13 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 1n2k s LEU 275 CO -0.02 -0.24 0.03 -0.69 -1.32 0.00 0.00 176.35 174.11 1n2k s VAL 276 N 1.71 4.54 -0.04 1.68 1.01 -0.22 -0.83 120.40 128.26 1n2k s VAL 276 Ca 0.06 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1n2k s VAL 276 Cb -0.17 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.24 1n2k s VAL 276 CO 0.10 0.53 -0.06 -0.63 0.00 0.00 0.00 175.10 175.05 1n2k s ILE 277 N -0.19 0.60 -0.08 2.22 1.01 -0.63 -0.56 121.20 123.57 1n2k s ILE 277 Ca 0.06 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.58 1n2k s ILE 277 Cb -0.12 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.74 1n2k s ILE 277 CO 0.02 0.23 -0.24 0.12 0.00 0.00 0.00 174.94 175.07 1n2k s PHE 278 N 0.74 2.50 0.34 3.97 5.36 -0.61 -1.17 117.98 129.11 1n2k s PHE 278 Ca -0.10 -0.85 -0.17 0.00 -0.96 0.00 0.00 56.93 54.84 1n2k s PHE 278 Cb -0.13 -1.65 0.04 0.00 -0.34 0.00 0.00 43.02 40.93 1n2k s PHE 278 CO 0.01 -0.30 0.74 0.99 -1.46 0.00 0.00 175.22 175.20 1n2k s THR 279 N 0.05 0.00 0.19 0.12 2.01 -1.03 -1.54 115.64 115.45 1n2k s THR 279 Ca -0.10 -1.04 0.07 0.00 0.31 0.00 0.00 61.69 60.93 1n2k s THR 279 Cb -0.16 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 1n2k s THR 279 CO 0.06 0.00 -0.12 0.00 -0.69 0.00 0.00 174.62 173.86 1n2k s ALA 280 N -3.02 1.85 0.10 7.40 0.00 -1.26 0.20 121.76 127.04 1n2k s ALA 280 Ca 0.15 -1.62 0.02 0.00 0.00 0.00 0.00 51.96 50.51 1n2k s ALA 280 Cb -0.05 -0.02 -0.24 0.00 0.00 0.00 0.00 23.12 22.81 1n2k s ALA 280 CO 0.10 0.00 1.22 0.38 0.00 0.00 0.00 175.76 177.47 1n2k h ASP 281 N 2.61 0.19 -5.16 0.00 2.03 -1.64 -3.46 116.42 110.99 1n2k h ASP 281 Ca -0.38 -0.20 0.11 0.00 -0.73 0.00 0.00 57.03 55.83 1n2k h ASP 281 Cb 1.21 -0.06 -0.06 0.00 -0.83 0.00 0.00 39.33 39.59 1n2k h ASP 281 CO 0.63 1.15 0.36 0.54 -1.03 0.00 0.00 179.24 180.89 1n2k s ASN 282 N -6.91 -0.18 1.33 4.15 4.22 -1.26 -4.62 114.94 111.67 1n2k s ASN 282 Ca -0.01 -0.59 -0.19 0.00 -2.14 0.00 0.00 52.86 49.93 1n2k s ASN 282 Cb 0.09 0.63 0.33 0.00 1.28 0.00 0.00 41.25 43.57 1n2k s ASN 282 CO 0.85 -1.18 0.86 0.61 -2.04 0.00 0.00 177.10 176.20 1n2k n GLY 283 N -0.49 -3.04 3.76 0.45 0.00 -0.41 -2.95 105.19 102.50 1n2k n GLY 283 Ca -0.05 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 1n2k n GLY 283 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n2k s PRO 284 N -4.61 4.48 -0.82 1.61 0.04 -1.26 -3.94 135.00 130.50 1n2k s PRO 284 Ca 0.66 2.00 -0.22 0.00 0.04 0.00 0.00 61.00 63.48 1n2k s PRO 284 Cb -0.18 -3.15 0.08 0.00 0.04 0.00 0.00 34.50 31.30 1n2k s PRO 284 CO 0.60 -0.03 1.13 -2.00 0.04 0.00 0.00 177.00 176.73 1n2k s GLU 285 N -1.25 3.37 0.00 4.56 2.12 -1.26 -1.67 118.70 124.56 1n2k s GLU 285 Ca 0.49 -1.15 0.22 0.00 0.36 0.00 0.00 54.97 54.88 1n2k s GLU 285 Cb -0.36 -4.65 1.01 0.00 0.26 0.00 0.00 34.13 30.40 1n2k s GLU 285 CO 0.45 -1.89 1.71 0.25 -0.54 0.00 0.00 175.26 175.23 1n2k n THR 286 N 5.97 0.42 0.26 -1.70 -2.24 0.02 -2.78 114.28 114.23 1n2k n THR 286 Ca 0.12 0.11 0.15 0.00 -2.27 0.00 0.00 64.05 62.16 1n2k n THR 286 Cb 0.48 -0.73 0.56 0.00 -2.10 0.00 0.00 70.33 68.53 1n2k n THR 286 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n2k h MET 287 N 0.00 0.00 0.00 -0.78 -0.00 -1.43 -1.51 114.93 111.21 1n2k h MET 287 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1n2k h MET 287 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.90 1n2k h MET 287 CO 0.00 0.03 0.00 0.54 -0.00 0.00 0.00 176.91 177.48 1n2k n ARG 288 N -3.13 0.47 0.00 -0.10 5.12 -1.12 -4.95 116.66 112.95 1n2k n ARG 288 Ca 0.01 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 1n2k n ARG 288 Cb 0.37 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.17 1n2k n ARG 288 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1n2k n MET 289 N -1.21 0.00 0.16 5.56 2.81 -0.57 -1.87 117.12 122.00 1n2k n MET 289 Ca 0.14 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 56.11 1n2k n MET 289 Cb 0.17 0.00 0.43 0.00 -0.71 0.00 0.00 33.22 33.11 1n2k n MET 289 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1n2k n SER 290 N 2.33 0.41 -1.56 7.83 7.64 -1.26 0.21 113.62 129.21 1n2k n SER 290 Ca 0.00 0.62 0.10 0.00 1.01 0.00 0.00 58.87 60.60 1n2k n SER 290 Cb 0.00 -0.60 0.36 0.00 -1.01 0.00 0.00 64.21 62.95 1n2k n SER 290 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1n2k n ARG 291 N -2.12 3.66 -4.38 1.43 1.74 -0.78 -4.65 116.66 111.56 1n2k n ARG 291 Ca -0.01 -2.88 -0.28 0.00 -0.77 0.00 0.00 57.85 53.91 1n2k n ARG 291 Cb 0.24 -1.87 -0.07 0.00 -1.02 0.00 0.00 32.46 29.74 1n2k n ARG 291 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1n2k s GLY 292 N -0.93 2.59 0.96 -0.13 0.00 0.13 -4.64 107.32 105.30 1n2k s GLY 292 Ca 0.51 -1.49 -0.16 0.00 0.00 0.00 0.00 44.72 43.58 1n2k s GLY 292 CO 0.25 -2.04 0.95 0.61 0.00 0.00 0.00 173.10 172.87 1n2k n GLY 293 N -1.28 -2.40 2.90 0.20 0.00 -1.26 -4.93 105.19 98.41 1n2k n GLY 293 Ca -0.07 -1.54 -0.23 0.00 0.00 0.00 0.00 46.02 44.18 1n2k n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2k n SER 295 N 4.39 0.41 0.00 0.00 3.41 -1.26 -1.60 113.62 118.97 1n2k n SER 295 Ca -0.19 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 1n2k n SER 295 Cb 0.51 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1n2k n SER 295 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n2k n GLY 296 N 1.32 1.49 0.13 5.00 0.00 -1.26 -2.70 105.19 109.16 1n2k n GLY 296 Ca 0.13 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.78 1n2k n GLY 296 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1n2k h LEU 297 N 0.00 0.00-10.28 0.99 -0.00 -1.96 -3.46 115.31 100.59 1n2k h LEU 297 Ca 0.00 -0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.36 1n2k h LEU 297 Cb 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 40.66 40.80 1n2k h LEU 297 CO 0.00 0.00 0.32 -0.76 -0.00 0.00 0.00 178.44 178.00 1n2k s LEU 298 N -4.95 3.09 0.04 0.17 1.43 -1.10 -4.48 118.68 112.87 1n2k s LEU 298 Ca 0.10 1.93 -0.17 0.00 -1.03 0.00 0.00 54.13 54.95 1n2k s LEU 298 Cb 0.10 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.73 1n2k s LEU 298 CO 0.62 -2.12 0.50 -0.60 0.23 0.00 0.00 176.35 174.98 1n2k s ARG 299 N -4.68 4.09 3.68 1.70 3.52 -1.26 -4.66 118.95 121.34 1n2k s ARG 299 Ca 0.64 0.60 0.00 0.00 -0.13 0.00 0.00 55.73 56.84 1n2k s ARG 299 Cb -0.19 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 1n2k s ARG 299 CO 0.53 0.66 0.00 0.00 -0.81 0.00 0.00 175.30 175.68 1n2k n GLY 301 N 0.00 2.83 3.62 0.00 0.00 -1.26 -4.43 105.19 105.94 1n2k n GLY 301 Ca 0.00 -0.14 -0.47 0.00 0.00 0.00 0.00 46.02 45.41 1n2k n GLY 301 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1n2k n LYS 302 N 0.00 1.53 0.00 1.61 4.81 -0.67 -2.42 118.16 123.02 1n2k n LYS 302 Ca 0.00 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1n2k n LYS 302 Cb 0.00 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 32.97 1n2k n LYS 302 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n2k n GLY 303 N 1.91 3.14 3.88 3.14 0.00 -0.78 -3.66 105.19 112.82 1n2k n GLY 303 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1n2k n GLY 303 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n2k s THR 304 N -2.15 4.50 -2.24 2.61 -4.23 -1.02 -4.39 115.64 108.72 1n2k s THR 304 Ca 0.00 -1.25 0.19 0.00 -1.18 0.00 0.00 61.69 59.46 1n2k s THR 304 Cb 0.00 -3.50 0.44 0.00 1.34 0.00 0.00 72.50 70.78 1n2k s THR 304 CO 0.00 -0.30 1.51 0.35 -0.54 0.00 0.00 174.62 175.64 1n2k n THR 305 N -1.31 0.25 -1.38 3.99 -2.24 -1.26 -4.42 114.28 107.90 1n2k n THR 305 Ca -0.07 -0.37 -0.30 0.00 -2.27 0.00 0.00 64.05 61.04 1n2k n THR 305 Cb 0.58 0.36 0.09 0.00 -2.10 0.00 0.00 70.33 69.26 1n2k n THR 305 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1n2k s TYR 306 N -1.75 2.70 0.25 4.78 2.02 -1.26 -4.81 117.35 119.28 1n2k s TYR 306 Ca 0.31 1.37 -0.02 0.00 -0.37 0.00 0.00 57.07 58.35 1n2k s TYR 306 Cb 0.17 -3.05 0.51 0.00 -0.40 0.00 0.00 41.96 39.18 1n2k s TYR 306 CO 0.25 -1.80 1.74 0.93 -1.57 0.00 0.00 175.55 175.10 1n2k h GLU 307 N -1.12 0.49 -0.20 -0.62 4.39 -1.91 -1.42 114.58 114.20 1n2k h GLU 307 Ca -0.46 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.27 1n2k h GLU 307 Cb 1.25 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1n2k h GLU 307 CO 0.55 0.32 0.26 0.78 -1.16 0.00 0.00 179.01 179.76 1n2k h GLY 308 N 0.50 0.00 0.14 -3.84 0.00 -1.09 0.13 103.07 98.92 1n2k h GLY 308 Ca 0.44 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.60 1n2k h GLY 308 CO -0.40 0.00 -2.06 0.61 0.00 0.00 0.00 176.54 174.69 1n2k n GLY 309 N -1.38 -1.03 0.01 4.60 0.00 -0.55 -4.23 105.19 102.60 1n2k n GLY 309 Ca 0.02 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.70 1n2k n GLY 309 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1n2k n VAL 310 N -2.54 0.02 -3.05 1.61 0.24 -0.96 -1.29 118.33 112.36 1n2k n VAL 310 Ca -0.16 -0.27 -0.43 0.00 -2.04 0.00 0.00 64.34 61.44 1n2k n VAL 310 Cb 0.84 0.22 -0.06 0.00 -1.47 0.00 0.00 33.84 33.37 1n2k n VAL 310 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1n2k s ARG 311 N -2.78 3.48 0.17 7.34 3.52 0.43 -1.35 118.95 129.76 1n2k s ARG 311 Ca -0.04 -0.09 0.07 0.00 -0.13 0.00 0.00 55.73 55.53 1n2k s ARG 311 Cb 0.07 -3.89 -0.04 0.00 -1.56 0.00 0.00 34.95 29.53 1n2k s ARG 311 CO 0.47 -0.95 0.04 -1.21 -0.81 0.00 0.00 175.30 172.84 1n2k s GLU 312 N 2.97 2.54 0.64 5.12 0.41 -0.32 -4.31 118.70 125.74 1n2k s GLU 312 Ca 0.26 -1.04 -0.16 0.00 -0.41 0.00 0.00 54.97 53.63 1n2k s GLU 312 Cb -0.13 -2.44 -0.01 0.00 -1.78 0.00 0.00 34.13 29.77 1n2k s GLU 312 CO 0.19 0.46 1.12 -1.25 -0.49 0.00 0.00 175.26 175.29 1n2k s PRO 313 N -2.97 2.86 -0.18 0.39 0.04 -1.26 -4.20 135.00 129.69 1n2k s PRO 313 Ca 0.28 1.47 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 1n2k s PRO 313 Cb -0.10 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.54 1n2k s PRO 313 CO 0.20 -1.21 0.47 0.00 0.04 0.00 0.00 177.00 176.49 1n2k s ALA 314 N -2.19 -1.15 -0.02 8.56 0.00 -1.26 -4.07 121.76 121.63 1n2k s ALA 314 Ca 0.69 1.33 -0.00 0.00 0.00 0.00 0.00 51.96 53.97 1n2k s ALA 314 Cb -0.22 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.16 1n2k s ALA 314 CO 0.39 -0.22 0.02 -0.51 0.00 0.00 0.00 175.76 175.44 1n2k s LEU 315 N 0.28 1.03 -0.20 0.00 1.43 -0.59 -2.17 118.68 118.46 1n2k s LEU 315 Ca -0.00 0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.09 1n2k s LEU 315 Cb -0.03 -0.12 -0.01 0.00 0.03 0.00 0.00 46.19 46.06 1n2k s LEU 315 CO 0.00 -0.13 -0.08 0.00 0.23 0.00 0.00 176.35 176.37 1n2k s ALA 316 N 1.15 2.71 -0.06 4.21 0.00 -0.71 -1.57 121.76 127.49 1n2k s ALA 316 Ca -0.08 -1.13 0.04 0.00 0.00 0.00 0.00 51.96 50.79 1n2k s ALA 316 Cb -0.13 -1.55 -0.00 0.00 0.00 0.00 0.00 23.12 21.44 1n2k s ALA 316 CO -0.03 -0.31 -0.19 0.12 0.00 0.00 0.00 175.76 175.35 1n2k s PHE 317 N 1.26 1.97 -0.32 0.00 5.36 0.27 -1.13 117.98 125.40 1n2k s PHE 317 Ca 0.03 -0.64 -0.10 0.00 -0.96 0.00 0.00 56.93 55.25 1n2k s PHE 317 Cb -0.14 -1.33 0.19 0.00 -0.34 0.00 0.00 43.02 41.40 1n2k s PHE 317 CO -0.03 -0.24 1.08 -0.46 -1.46 0.00 0.00 175.22 174.11 1n2k s TRP 318 N 0.15 -0.26 0.25 10.12 -0.00 -1.26 -1.05 118.94 126.88 1n2k s TRP 318 Ca -0.08 0.03 -0.30 0.00 -0.00 0.00 0.00 56.10 55.74 1n2k s TRP 318 Cb -0.14 0.05 -0.14 0.00 -0.00 0.00 0.00 33.47 33.24 1n2k s TRP 318 CO 0.04 -0.18 1.28 -2.30 -0.00 0.00 0.00 176.95 175.79 1n2k n PRO 319 N 3.55 1.78 -0.95 5.86 -0.02 -1.26 -0.38 135.00 143.58 1n2k n PRO 319 Ca 0.06 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1n2k n PRO 319 Cb 0.64 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1n2k n PRO 319 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n2k n GLY 320 N 1.76 0.66 1.81 -1.23 0.00 -1.26 -4.48 105.19 102.45 1n2k n GLY 320 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1n2k n GLY 320 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1n2k n HIS 321 N -2.33 -0.39 -3.42 1.61 8.25 -0.82 -5.02 115.22 113.09 1n2k n HIS 321 Ca 0.00 0.07 -0.44 0.00 -0.26 0.00 0.00 57.72 57.09 1n2k n HIS 321 Cb 0.03 0.42 -0.09 0.00 1.12 0.00 0.00 29.99 31.48 1n2k n HIS 321 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1n2k s ILE 322 N -2.00 5.19 0.17 1.59 1.01 0.49 -4.57 121.20 123.09 1n2k s ILE 322 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.42 1n2k s ILE 322 Cb 0.00 -4.03 -0.08 0.00 0.01 0.00 0.00 42.46 38.37 1n2k s ILE 322 CO 0.00 -0.48 1.12 0.00 0.00 0.00 0.00 174.94 175.58 1n2k s ALA 323 N 1.64 3.38 0.37 9.38 0.00 -1.26 -4.55 121.76 130.72 1n2k s ALA 323 Ca 0.04 0.83 -0.28 0.00 0.00 0.00 0.00 51.96 52.56 1n2k s ALA 323 Cb -0.22 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 19.42 1n2k s ALA 323 CO 0.08 -0.24 1.37 -0.35 0.00 0.00 0.00 175.76 176.61 1n2k n PRO 324 N 2.43 2.32 -3.56 0.00 -0.04 -1.26 -4.17 135.00 130.72 1n2k n PRO 324 Ca 0.03 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 1n2k n PRO 324 Cb 0.46 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 1n2k n PRO 324 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n2k n GLY 325 N 0.65 -1.16 2.94 0.55 0.00 -1.12 -4.89 105.19 102.15 1n2k n GLY 325 Ca 0.04 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 1n2k n GLY 325 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n2k s VAL 326 N -3.00 0.78 -0.08 1.61 1.01 -1.26 -2.04 120.40 117.42 1n2k s VAL 326 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1n2k s VAL 326 Cb 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 1n2k s VAL 326 CO 0.00 0.28 -0.21 0.28 0.00 0.00 0.00 175.10 175.46 1n2k s THR 327 N 0.92 2.43 -1.82 3.92 -1.32 -0.76 -4.94 115.64 114.07 1n2k s THR 327 Ca -0.11 -0.92 0.21 0.00 -1.21 0.00 0.00 61.69 59.67 1n2k s THR 327 Cb -0.15 -1.93 0.63 0.00 -1.51 0.00 0.00 72.50 69.54 1n2k s THR 327 CO 0.01 0.56 1.53 1.41 -2.21 0.00 0.00 174.62 175.91 1n2k n HIS 328 N 3.04 0.98 -2.61 9.09 8.25 -1.26 -1.99 115.22 130.72 1n2k n HIS 328 Ca -0.18 -0.51 -0.36 0.00 -0.26 0.00 0.00 57.72 56.41 1n2k n HIS 328 Cb 0.52 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.56 1n2k n HIS 328 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1n2k s GLU 329 N -1.07 4.28 0.07 -0.41 2.02 -1.26 -4.71 118.70 117.63 1n2k s GLU 329 Ca 0.47 1.46 -0.31 0.00 0.02 0.00 0.00 54.97 56.61 1n2k s GLU 329 Cb 0.25 -2.60 -0.08 0.00 0.10 0.00 0.00 34.13 31.80 1n2k s GLU 329 CO 0.31 -0.03 1.64 -0.51 0.02 0.00 0.00 175.26 176.69 1n2k s LEU 330 N -2.50 4.36 -0.00 1.80 1.02 -1.26 -4.57 118.68 117.53 1n2k s LEU 330 Ca 0.56 2.47 -0.08 0.00 0.02 0.00 0.00 54.13 57.10 1n2k s LEU 330 Cb -0.21 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.44 1n2k s LEU 330 CO 0.26 -0.88 0.16 0.00 0.02 0.00 0.00 176.35 175.92 1n2k s ALA 331 N 2.59 -0.39 0.12 4.21 0.00 -1.15 -4.49 121.76 122.66 1n2k s ALA 331 Ca 0.73 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1n2k s ALA 331 Cb -0.39 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1n2k s ALA 331 CO 0.32 -0.21 0.01 0.45 0.00 0.00 0.00 175.76 176.32 1n2k s SER 332 N -1.36 0.73 0.40 0.00 0.15 -1.26 -0.87 113.70 111.48 1n2k s SER 332 Ca -0.14 -1.13 0.29 0.00 0.70 0.00 0.00 55.95 55.66 1n2k s SER 332 Cb -0.07 0.20 1.23 0.00 -1.71 0.00 0.00 66.02 65.67 1n2k s SER 332 CO 0.02 -0.62 1.85 0.77 1.20 0.00 0.00 173.24 176.46 1n2k h SER 333 N 2.88 0.00 1.01 5.45 4.64 -1.75 -1.49 113.55 124.30 1n2k h SER 333 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1n2k h SER 333 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1n2k h SER 333 CO 0.62 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 176.51 1n2k h LEU 334 N 0.00 0.00 0.00 5.97 3.38 -1.84 -3.12 115.31 119.69 1n2k h LEU 334 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1n2k h LEU 334 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1n2k h LEU 334 CO 0.00 0.00 -1.02 0.47 0.09 0.00 0.00 178.44 177.98 1n2k n ASP 335 N -2.35 0.86 -0.10 -0.43 8.00 -0.56 -3.68 116.55 118.29 1n2k n ASP 335 Ca 0.03 0.33 -0.06 0.00 0.71 0.00 0.00 54.79 55.81 1n2k n ASP 335 Cb 0.30 0.43 0.01 0.00 -0.02 0.00 0.00 41.12 41.84 1n2k n ASP 335 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1n2k h LEU 336 N 0.00 -0.13 0.14 0.64 3.38 -1.65 -1.41 115.31 116.28 1n2k h LEU 336 Ca -0.01 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1n2k h LEU 336 Cb 1.03 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1n2k h LEU 336 CO 0.00 -0.03 -0.33 0.25 0.09 0.00 0.00 178.44 178.42 1n2k h LEU 337 N 0.11 -0.95 -1.25 1.67 6.46 -1.79 0.20 115.31 119.77 1n2k h LEU 337 Ca 0.17 0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 58.00 1n2k h LEU 337 Cb 0.23 0.35 -0.02 0.00 -0.73 0.00 0.00 40.66 40.49 1n2k h LEU 337 CO -0.28 -0.42 0.13 -0.65 -0.62 0.00 0.00 178.44 176.60 1n2k h PRO 338 N -0.57 0.65 0.14 5.25 0.11 -1.79 -0.22 132.00 135.57 1n2k h PRO 338 Ca 0.02 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1n2k h PRO 338 Cb 0.59 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1n2k h PRO 338 CO -0.18 0.57 -0.07 1.15 -0.21 0.00 0.00 178.00 179.27 1n2k h THR 339 N 0.64 0.99 -0.30 -1.15 2.02 -0.75 -1.52 112.91 112.84 1n2k h THR 339 Ca 0.15 -0.55 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 1n2k h THR 339 Cb 0.20 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1n2k h THR 339 CO -0.01 0.13 -0.08 -0.07 0.37 0.00 0.00 175.52 175.86 1n2k h LEU 340 N -0.45 0.46 -0.89 2.58 3.38 -0.49 -1.59 115.31 118.32 1n2k h LEU 340 Ca -0.02 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1n2k h LEU 340 Cb 0.36 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1n2k h LEU 340 CO 0.03 0.59 -0.12 0.00 0.09 0.00 0.00 178.44 179.03 1n2k h ALA 341 N 1.46 1.06 -0.01 1.53 0.00 -0.95 -0.99 119.26 121.37 1n2k h ALA 341 Ca 0.09 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1n2k h ALA 341 Cb 0.43 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1n2k h ALA 341 CO 0.02 0.57 -0.67 0.00 0.00 0.00 0.00 179.25 179.18 1n2k h ALA 342 N 1.24 0.88 0.00 0.00 0.00 -0.73 -0.74 119.26 119.91 1n2k h ALA 342 Ca 0.11 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1n2k h ALA 342 Cb 0.57 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1n2k h ALA 342 CO 0.04 0.83 -0.50 -0.07 0.00 0.00 0.00 179.25 179.55 1n2k h LEU 343 N 0.02 0.00 -1.49 0.00 3.38 -0.94 -3.24 115.31 113.04 1n2k h LEU 343 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1n2k h LEU 343 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1n2k h LEU 343 CO 0.09 0.50 -0.22 0.00 0.09 0.00 0.00 178.44 178.89 1n2k n ALA 344 N -2.24 2.97 -0.88 1.53 0.00 -0.41 -4.37 120.51 117.11 1n2k n ALA 344 Ca 0.02 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1n2k n ALA 344 Cb 0.71 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1n2k n ALA 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n2k n GLY 345 N 1.37 0.56 3.71 0.00 0.00 -0.50 -4.76 105.19 105.57 1n2k n GLY 345 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1n2k n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2k s ALA 346 N -2.58 3.38 0.38 4.61 0.00 -0.40 -4.99 121.76 122.16 1n2k s ALA 346 Ca 0.00 0.79 -0.27 0.00 0.00 0.00 0.00 51.96 52.48 1n2k s ALA 346 Cb 0.00 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 1n2k s ALA 346 CO 0.00 -0.45 1.35 -2.14 0.00 0.00 0.00 175.76 174.51 1n2k s PRO 347 N 1.19 4.11 0.47 0.00 0.02 -1.26 -4.43 135.00 135.09 1n2k s PRO 347 Ca 0.58 2.27 -0.21 0.00 0.02 0.00 0.00 61.00 63.66 1n2k s PRO 347 Cb -0.28 -2.90 -0.08 0.00 0.02 0.00 0.00 34.50 31.26 1n2k s PRO 347 CO 0.28 -0.42 1.07 -0.51 -0.33 0.00 0.00 177.00 177.09 1n2k s LEU 348 N -2.17 3.93 0.92 -5.54 1.43 -1.26 -4.99 118.68 111.00 1n2k s LEU 348 Ca 0.54 2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 55.56 1n2k s LEU 348 Cb -0.41 -4.43 0.14 0.00 0.03 0.00 0.00 46.19 41.53 1n2k s LEU 348 CO 0.53 -0.78 1.10 -2.16 0.23 0.00 0.00 176.35 175.27 1n2k s PRO 349 N -2.99 1.04 0.28 1.29 0.04 -1.26 -4.96 135.00 128.44 1n2k s PRO 349 Ca 0.65 1.08 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 1n2k s PRO 349 Cb -0.20 -1.76 0.39 0.00 0.04 0.00 0.00 34.50 32.96 1n2k s PRO 349 CO 0.24 -2.46 1.81 -0.97 0.04 0.00 0.00 177.00 175.66 1n2k h ASN 350 N -1.72 0.77 -4.11 6.66 -0.73 -2.02 -3.45 115.58 110.98 1n2k h ASN 350 Ca -0.49 -0.15 -0.55 0.00 1.87 0.00 0.00 56.30 56.99 1n2k h ASN 350 Cb 1.28 -0.20 0.14 0.00 0.27 0.00 0.00 38.32 39.80 1n2k h ASN 350 CO 0.50 0.77 0.50 0.68 -0.37 0.00 0.00 177.43 179.51 1n2k s VAL 351 N -5.16 2.29 -0.24 2.57 -7.23 -1.26 -4.94 120.40 106.43 1n2k s VAL 351 Ca -0.10 0.18 -0.29 0.00 -1.81 0.00 0.00 61.98 59.96 1n2k s VAL 351 Cb 0.15 -3.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.01 1n2k s VAL 351 CO 0.80 -0.04 1.53 0.42 -0.31 0.00 0.00 175.10 177.50 1n2k s THR 352 N -1.49 3.82 0.22 5.32 -4.23 -1.26 -5.01 115.64 113.00 1n2k s THR 352 Ca 0.80 0.92 -0.14 0.00 -1.18 0.00 0.00 61.69 62.09 1n2k s THR 352 Cb -0.34 -3.83 -0.08 0.00 1.34 0.00 0.00 72.50 69.59 1n2k s THR 352 CO 0.37 -0.35 0.62 -0.76 -0.54 0.00 0.00 174.62 173.96 1n2k s LEU 353 N 4.99 4.23 -0.26 4.79 2.01 -1.26 -4.89 118.68 128.29 1n2k s LEU 353 Ca 0.67 1.14 0.13 0.00 0.01 0.00 0.00 54.13 56.08 1n2k s LEU 353 Cb -0.22 -3.61 0.80 0.00 0.01 0.00 0.00 46.19 43.16 1n2k s LEU 353 CO 0.28 -0.02 1.76 0.47 1.01 0.00 0.00 176.35 179.84 1n2k n ASP 354 N 0.29 5.47 -3.72 2.29 8.00 -0.37 -4.97 116.55 123.54 1n2k n ASP 354 Ca -0.01 -3.02 -0.21 0.00 0.71 0.00 0.00 54.79 52.26 1n2k n ASP 354 Cb 0.52 -0.70 -0.05 0.00 -0.02 0.00 0.00 41.12 40.88 1n2k n ASP 354 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n2k n GLY 355 N 0.38 3.75 3.24 0.44 0.00 -1.24 -4.83 105.19 106.93 1n2k n GLY 355 Ca 0.31 -2.29 -0.13 0.00 0.00 0.00 0.00 46.02 43.90 1n2k n GLY 355 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n2k s PHE 356 N -2.26 1.22 -0.54 1.61 0.08 -1.26 -4.94 117.98 111.90 1n2k s PHE 356 Ca 0.01 -1.17 -0.22 0.00 0.12 0.00 0.00 56.93 55.67 1n2k s PHE 356 Cb 0.00 -0.68 0.05 0.00 -0.57 0.00 0.00 43.02 41.82 1n2k s PHE 356 CO 0.01 -0.39 0.79 0.34 -0.10 0.00 0.00 175.22 175.87 1n2k s ASP 357 N -3.18 6.27 0.00 1.36 2.15 -1.26 -3.99 116.67 118.02 1n2k s ASP 357 Ca 0.30 -0.67 0.10 0.00 0.43 0.00 0.00 52.55 52.72 1n2k s ASP 357 Cb 0.07 -2.36 0.35 0.00 -0.30 0.00 0.00 42.92 40.68 1n2k s ASP 357 CO 0.08 -1.08 1.27 0.18 -0.17 0.00 0.00 175.17 175.45 1n2k n LEU 358 N 6.84 1.30 -0.31 -1.34 4.32 -1.26 -4.38 117.00 122.17 1n2k n LEU 358 Ca -0.03 -0.63 0.03 0.00 -0.02 0.00 0.00 56.01 55.36 1n2k n LEU 358 Cb 0.46 -0.15 0.17 0.00 -1.62 0.00 0.00 43.42 42.29 1n2k n LEU 358 CO 0.59 0.32 1.18 0.77 -1.22 0.00 0.00 177.39 179.02 1n2k h SER 359 N 1.48 0.78 -0.84 -1.43 4.64 -1.91 -1.33 113.55 114.94 1n2k h SER 359 Ca 0.00 0.04 0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1n2k h SER 359 Cb 0.33 -0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 62.25 1n2k h SER 359 CO 0.00 0.46 0.53 -0.65 -0.87 0.00 0.00 176.83 176.30 1n2k h PRO 360 N 0.90 0.97 -0.43 4.77 0.11 -1.89 0.26 132.00 136.69 1n2k h PRO 360 Ca 0.41 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.41 1n2k h PRO 360 Cb 0.32 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 1n2k h PRO 360 CO -0.23 0.64 0.06 1.25 -0.21 0.00 0.00 178.00 179.52 1n2k h LEU 361 N 1.00 0.70 0.14 2.35 5.85 -1.47 0.24 115.31 124.11 1n2k h LEU 361 Ca 0.35 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1n2k h LEU 361 Cb 0.09 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1n2k h LEU 361 CO -0.14 0.78 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.60 1n2k h LEU 362 N 0.58 -0.16 -1.45 2.25 3.38 -0.62 -3.07 115.31 116.22 1n2k h LEU 362 Ca 0.13 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1n2k h LEU 362 Cb 0.39 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1n2k h LEU 362 CO 0.01 0.15 0.00 -0.07 0.09 0.00 0.00 178.44 178.62 1n2k h LEU 363 N -0.48 0.00 0.00 1.67 3.38 -0.51 -3.41 115.31 115.96 1n2k h LEU 363 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1n2k h LEU 363 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1n2k h LEU 363 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1n2k n GLY 364 N 0.04 0.48 0.01 0.83 0.00 0.63 -4.86 105.19 102.31 1n2k n GLY 364 Ca 0.01 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.21 1n2k n GLY 364 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n2k n THR 365 N -3.16 0.05 -2.61 2.61 -2.24 -0.04 -5.01 114.28 103.88 1n2k n THR 365 Ca 0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1n2k n THR 365 Cb 0.15 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1n2k n THR 365 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n2k n GLY 366 N 1.45 1.97 3.85 3.38 0.00 -1.01 -5.01 105.19 109.82 1n2k n GLY 366 Ca 0.04 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 1n2k n GLY 366 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n2k s LYS 367 N 0.28 2.64 0.09 1.61 1.02 -1.26 -3.83 119.74 120.30 1n2k s LYS 367 Ca 0.00 -1.39 -0.30 0.00 0.02 0.00 0.00 55.97 54.30 1n2k s LYS 367 Cb 0.00 -2.42 -0.06 0.00 -0.52 0.00 0.00 37.83 34.82 1n2k s LYS 367 CO 0.00 -0.00 1.17 0.45 -0.92 0.00 0.00 175.35 176.05 1n2k s SER 368 N -4.03 7.13 0.00 2.83 0.15 -1.26 -4.46 113.70 114.05 1n2k s SER 368 Ca 0.43 2.04 0.24 0.00 0.70 0.00 0.00 55.95 59.36 1n2k s SER 368 Cb -0.05 -2.59 1.23 0.00 -1.71 0.00 0.00 66.02 62.91 1n2k s SER 368 CO 0.27 -0.40 1.80 -0.81 1.20 0.00 0.00 173.24 175.29 1n2k n PRO 369 N 3.47 0.38 -2.85 5.44 -0.04 -1.26 -4.75 135.00 135.39 1n2k n PRO 369 Ca 0.07 0.06 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 1n2k n PRO 369 Cb 0.46 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 1n2k n PRO 369 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1n2k s ARG 370 N -2.52 3.96 -0.00 0.54 3.52 -1.26 -4.88 118.95 118.30 1n2k s ARG 370 Ca 0.24 0.69 0.04 0.00 -0.13 0.00 0.00 55.73 56.57 1n2k s ARG 370 Cb 0.16 -3.75 -0.06 0.00 -1.56 0.00 0.00 34.95 29.75 1n2k s ARG 370 CO 0.36 -0.79 0.12 0.00 -0.81 0.00 0.00 175.30 174.18 1n2k n GLN 371 N 6.47 1.85 -4.10 5.12 10.64 -1.26 -4.48 117.38 131.62 1n2k n GLN 371 Ca 0.06 -0.03 -0.13 0.00 -1.83 0.00 0.00 57.00 55.07 1n2k n GLN 371 Cb 0.48 -0.97 -0.11 0.00 -0.86 0.00 0.00 30.24 28.77 1n2k n GLN 371 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1n2k s SER 372 N -2.14 1.03 -0.01 2.61 0.01 -1.26 -2.40 113.70 111.55 1n2k s SER 372 Ca -0.01 -0.66 0.02 0.00 1.31 0.00 0.00 55.95 56.61 1n2k s SER 372 Cb 0.03 0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.29 1n2k s SER 372 CO 0.17 -0.25 -0.06 -0.76 0.41 0.00 0.00 173.24 172.76 1n2k s LEU 373 N -1.94 1.94 -0.08 2.44 1.43 0.42 -4.97 118.68 117.92 1n2k s LEU 373 Ca -0.04 -0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 1n2k s LEU 373 Cb -0.07 -0.31 -0.00 0.00 0.03 0.00 0.00 46.19 45.85 1n2k s LEU 373 CO -0.00 0.06 -0.23 -0.36 0.23 0.00 0.00 176.35 176.04 1n2k s PHE 374 N -0.03 2.38 -0.08 0.29 0.40 -1.26 -0.70 117.98 118.97 1n2k s PHE 374 Ca 0.01 -0.87 0.04 0.00 -0.60 0.00 0.00 56.93 55.51 1n2k s PHE 374 Cb -0.03 -1.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 1n2k s PHE 374 CO -0.00 -0.33 -0.21 -0.06 0.70 0.00 0.00 175.22 175.32 1n2k s PHE 375 N 0.18 2.59 0.18 0.36 0.08 -0.11 -4.64 117.98 116.62 1n2k s PHE 375 Ca -0.13 -0.73 0.08 0.00 0.12 0.00 0.00 56.93 56.27 1n2k s PHE 375 Cb -0.16 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 1n2k s PHE 375 CO 0.06 -0.22 -0.01 0.71 -0.10 0.00 0.00 175.22 175.66 1n2k s TYR 376 N 0.03 2.81 0.91 0.36 2.02 -0.82 -1.73 117.35 120.93 1n2k s TYR 376 Ca -0.08 -0.15 -0.14 0.00 -0.37 0.00 0.00 57.07 56.33 1n2k s TYR 376 Cb -0.15 -1.36 0.15 0.00 -0.40 0.00 0.00 41.96 40.20 1n2k s TYR 376 CO 0.05 0.52 1.23 -1.25 -1.57 0.00 0.00 175.55 174.53 1n2k s PRO 377 N -2.95 1.13 0.37 -1.71 0.04 -1.26 -4.58 135.00 126.03 1n2k s PRO 377 Ca 0.27 -0.10 0.06 0.00 0.04 0.00 0.00 61.00 61.28 1n2k s PRO 377 Cb -0.09 -1.87 0.72 0.00 0.04 0.00 0.00 34.50 33.29 1n2k s PRO 377 CO 0.18 -2.13 1.93 0.77 0.04 0.00 0.00 177.00 177.79 1n2k h SER 378 N -1.44 0.41 -3.68 6.66 0.02 -1.97 -3.34 113.55 110.21 1n2k h SER 378 Ca -0.46 -0.06 -0.62 0.00 -0.84 0.00 0.00 61.79 59.81 1n2k h SER 378 Cb 1.29 -0.11 -0.40 0.00 0.14 0.00 0.00 62.40 63.32 1n2k h SER 378 CO 0.52 0.46 -0.71 -0.31 -1.14 0.00 0.00 176.83 175.64 1n2k s TYR 379 N -5.03 2.24 0.68 3.45 1.51 -1.26 -2.05 117.35 116.89 1n2k s TYR 379 Ca -0.07 -2.59 -0.06 0.00 -1.01 0.00 0.00 57.07 53.34 1n2k s TYR 379 Cb 0.16 -2.09 0.05 0.00 -0.11 0.00 0.00 41.96 39.97 1n2k s TYR 379 CO 0.75 -0.77 0.99 -1.25 -1.11 0.00 0.00 175.55 174.15 1n2k s PRO 380 N 0.21 2.36 0.01 -1.71 0.04 -1.26 -5.09 135.00 129.56 1n2k s PRO 380 Ca 0.18 -0.21 -0.24 0.00 0.04 0.00 0.00 61.00 60.76 1n2k s PRO 380 Cb -0.24 -2.20 0.05 0.00 0.04 0.00 0.00 34.50 32.15 1n2k s PRO 380 CO 0.00 -1.12 0.55 0.16 0.04 0.00 0.00 177.00 176.63 1n2k s ASP 381 N -4.47 -0.48 0.10 6.66 -4.77 -1.26 -4.99 116.67 107.46 1n2k s ASP 381 Ca 0.59 0.35 0.20 0.00 -3.30 0.00 0.00 52.55 50.38 1n2k s ASP 381 Cb -0.11 0.48 0.81 0.00 -1.09 0.00 0.00 42.92 43.01 1n2k s ASP 381 CO 0.45 -0.64 1.61 -0.62 0.70 0.00 0.00 175.17 176.66 1n2k n GLU 382 N 0.70 0.08 -0.07 2.11 1.02 -1.26 -1.46 120.64 121.77 1n2k n GLU 382 Ca -0.19 0.29 -0.15 0.00 -0.02 0.00 0.00 57.16 57.09 1n2k n GLU 382 Cb 0.59 -1.65 -0.13 0.00 -0.02 0.00 0.00 31.44 30.23 1n2k n GLU 382 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1n2k h VAL 383 N 0.00 1.68 0.12 2.62 2.07 -2.00 -3.38 116.25 117.36 1n2k h VAL 383 Ca 0.00 -2.34 -0.30 0.00 0.82 0.00 0.00 66.70 64.88 1n2k h VAL 383 Cb 0.34 3.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.36 1n2k h VAL 383 CO 0.00 0.59 -1.48 0.03 0.02 0.00 0.00 177.57 176.73 1n2k h ARG 384 N -0.95 0.24 0.00 1.57 3.08 -1.99 -3.50 114.38 112.83 1n2k h ARG 384 Ca -0.05 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1n2k h ARG 384 Cb 1.08 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1n2k h ARG 384 CO -0.01 1.12 0.00 0.41 -1.07 0.00 0.00 179.97 180.41 1n2k n GLY 385 N 1.64 1.49 3.76 0.04 0.00 -0.54 -4.77 105.19 106.81 1n2k n GLY 385 Ca -0.15 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 1n2k n GLY 385 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n2k s VAL 386 N 0.00 2.06 -0.09 1.61 -7.23 -1.26 -4.76 120.40 110.73 1n2k s VAL 386 Ca 0.00 0.05 -0.10 0.00 -1.81 0.00 0.00 61.98 60.12 1n2k s VAL 386 Cb 0.00 -3.03 -0.28 0.00 0.56 0.00 0.00 36.38 33.63 1n2k s VAL 386 CO 0.00 0.01 0.52 -0.26 -0.31 0.00 0.00 175.10 175.06 1n2k h PHE 387 N 4.13 0.57 -3.73 2.82 -1.00 -1.64 -3.45 116.94 114.64 1n2k h PHE 387 Ca -0.48 -0.41 -0.18 0.00 2.81 0.00 0.00 57.97 59.70 1n2k h PHE 387 Cb 1.23 -0.02 -0.24 0.00 3.61 0.00 0.00 35.95 40.53 1n2k h PHE 387 CO 0.56 1.70 -0.64 0.00 -1.61 0.00 0.00 178.31 178.33 1n2k s ALA 388 N -2.55 -0.07 -0.01 2.45 0.00 -1.15 -0.61 121.76 119.81 1n2k s ALA 388 Ca -0.20 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.59 1n2k s ALA 388 Cb 0.06 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1n2k s ALA 388 CO 0.80 -0.12 -0.06 0.08 0.00 0.00 0.00 175.76 176.46 1n2k s VAL 389 N -0.84 0.54 -0.04 0.00 1.01 -0.89 -0.93 120.40 119.25 1n2k s VAL 389 Ca -0.09 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.70 1n2k s VAL 389 Cb -0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 1n2k s VAL 389 CO -0.00 0.17 -0.25 -0.60 0.00 0.00 0.00 175.10 174.42 1n2k s ARG 390 N 0.08 2.33 -0.18 2.72 3.52 0.12 -1.01 118.95 126.54 1n2k s ARG 390 Ca -0.01 -0.91 -0.04 0.00 -0.13 0.00 0.00 55.73 54.64 1n2k s ARG 390 Cb -0.05 -2.09 0.07 0.00 -1.56 0.00 0.00 34.95 31.32 1n2k s ARG 390 CO -0.00 0.45 0.15 0.99 -0.81 0.00 0.00 175.30 176.08 1n2k s THR 391 N -0.35 -0.19 0.00 4.11 2.01 -0.26 -0.44 115.64 120.51 1n2k s THR 391 Ca 0.02 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.91 1n2k s THR 391 Cb -0.12 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.79 1n2k s THR 391 CO 0.02 -0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.33 1n2k n GLY 392 N 5.30 2.24 0.82 4.40 0.00 -1.01 -2.48 105.19 114.46 1n2k n GLY 392 Ca -0.06 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.70 1n2k n GLY 392 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1n2k n LYS 393 N 12.62 1.98 -3.75 1.61 2.85 -1.26 -4.94 118.16 127.27 1n2k n LYS 393 Ca 0.00 -1.65 -0.36 0.00 -1.05 0.00 0.00 58.31 55.25 1n2k n LYS 393 Cb 0.00 -1.45 -0.07 0.00 -0.65 0.00 0.00 35.03 32.86 1n2k n LYS 393 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1n2k s TYR 394 N -2.08 3.50 -0.12 5.58 2.02 -1.03 -0.30 117.35 124.92 1n2k s TYR 394 Ca 0.25 0.47 0.00 0.00 -0.37 0.00 0.00 57.07 57.41 1n2k s TYR 394 Cb 0.19 -2.11 0.02 0.00 -0.40 0.00 0.00 41.96 39.67 1n2k s TYR 394 CO 0.36 0.47 -0.10 0.21 -1.57 0.00 0.00 175.55 174.92 1n2k s LYS 395 N -0.21 1.73 -0.07 -0.62 2.20 -0.31 -1.11 119.74 121.35 1n2k s LYS 395 Ca 0.12 -0.34 -0.04 0.00 -0.36 0.00 0.00 55.97 55.35 1n2k s LYS 395 Cb -0.12 -1.69 -0.04 0.00 -1.51 0.00 0.00 37.83 34.48 1n2k s LYS 395 CO 0.02 -0.23 0.12 0.00 -0.36 0.00 0.00 175.35 174.90 1n2k s ALA 396 N 1.54 3.78 -0.41 3.13 0.00 -0.18 -1.56 121.76 128.07 1n2k s ALA 396 Ca 0.03 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1n2k s ALA 396 Cb -0.13 -1.83 0.11 0.00 0.00 0.00 0.00 23.12 21.27 1n2k s ALA 396 CO -0.07 0.65 0.16 -1.01 0.00 0.00 0.00 175.76 175.49 1n2k s HIS 397 N -1.10 3.62 -0.04 0.00 3.76 -0.45 -2.09 115.29 118.98 1n2k s HIS 397 Ca 0.19 -2.80 0.18 0.00 -0.15 0.00 0.00 55.06 52.47 1n2k s HIS 397 Cb -0.12 -3.04 0.36 0.00 1.11 0.00 0.00 32.58 30.89 1n2k s HIS 397 CO 0.08 -0.93 1.58 0.74 -0.85 0.00 0.00 174.74 175.37 1n2k h PHE 398 N 7.59 0.00 -3.06 1.40 0.04 -1.15 -2.82 116.94 118.94 1n2k h PHE 398 Ca -0.07 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.53 1n2k h PHE 398 Cb 1.01 0.00 -0.26 0.00 2.20 0.00 0.00 35.95 38.90 1n2k h PHE 398 CO 0.52 0.41 -0.42 -0.06 -0.60 0.00 0.00 178.31 178.16 1n2k s PHE 399 N -3.23 -0.31 0.18 -0.55 0.08 -1.13 -1.23 117.98 111.79 1n2k s PHE 399 Ca 0.03 0.75 0.11 0.00 0.12 0.00 0.00 56.93 57.94 1n2k s PHE 399 Cb 0.09 0.09 -0.04 0.00 -0.57 0.00 0.00 43.02 42.59 1n2k s PHE 399 CO 0.71 -0.17 -0.24 0.95 -0.10 0.00 0.00 175.22 176.37 1n2k s THR 400 N 0.45 2.32 -0.21 0.64 -4.23 -0.73 -4.73 115.64 109.15 1n2k s THR 400 Ca -0.03 -1.99 -0.27 0.00 -1.18 0.00 0.00 61.69 58.22 1n2k s THR 400 Cb -0.04 -2.10 0.09 0.00 1.34 0.00 0.00 72.50 71.79 1n2k s THR 400 CO -0.02 -0.09 0.85 -1.58 -0.54 0.00 0.00 174.62 173.23 1n2k s GLN 401 N -2.59 0.75 0.59 3.99 0.74 -1.26 -2.04 119.66 119.83 1n2k s GLN 401 Ca 0.20 0.59 -0.01 0.00 0.05 0.00 0.00 55.36 56.19 1n2k s GLN 401 Cb -0.08 0.36 0.12 0.00 1.10 0.00 0.00 33.01 34.51 1n2k s GLN 401 CO 0.09 -0.15 0.80 0.41 -0.55 0.00 0.00 175.29 175.89 1n2k n GLY 402 N 1.86 0.55 3.35 2.59 0.00 -0.96 -4.63 105.19 107.96 1n2k n GLY 402 Ca -0.14 -2.00 -0.14 0.00 0.00 0.00 0.00 46.02 43.74 1n2k n GLY 402 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n2k s SER 403 N -4.24 -0.41 0.43 1.61 0.15 0.16 -4.75 113.70 106.65 1n2k s SER 403 Ca 0.53 0.56 0.10 0.00 0.70 0.00 0.00 55.95 57.84 1n2k s SER 403 Cb -0.03 0.62 0.92 0.00 -1.71 0.00 0.00 66.02 65.83 1n2k s SER 403 CO 0.35 -0.37 2.01 0.00 1.20 0.00 0.00 173.24 176.44 1n2k h ALA 404 N 4.31 1.68 0.00 5.45 0.00 -1.88 0.10 119.26 128.92 1n2k h ALA 404 Ca -0.28 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1n2k h ALA 404 Cb 1.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1n2k h ALA 404 CO 0.32 0.24 -0.28 0.45 0.00 0.00 0.00 179.25 179.99 1n2k h HIS 405 N 0.26 0.00 -0.68 0.00 3.86 -1.91 -2.81 115.15 113.87 1n2k h HIS 405 Ca 0.06 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.10 1n2k h HIS 405 Cb 0.17 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.53 1n2k h HIS 405 CO 0.00 0.28 0.20 0.43 0.86 0.00 0.00 177.93 179.70 1n2k n SER 406 N -3.88 4.89 -3.72 2.45 7.64 0.00 -0.80 113.62 120.21 1n2k n SER 406 Ca -0.02 -3.19 -0.29 0.00 1.01 0.00 0.00 58.87 56.39 1n2k n SER 406 Cb 0.36 -0.72 0.22 0.00 -1.01 0.00 0.00 64.21 63.05 1n2k n SER 406 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1n2k n ASP 407 N -0.07 -0.82 -0.10 6.43 8.00 -1.06 -4.07 116.55 124.86 1n2k n ASP 407 Ca 0.38 -1.34 -0.01 0.00 0.71 0.00 0.00 54.79 54.53 1n2k n ASP 407 Cb 1.33 -0.99 -0.01 0.00 -0.02 0.00 0.00 41.12 41.43 1n2k n ASP 407 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1n2k n THR 408 N -4.22 0.00 -2.96 -3.53 -2.24 -1.26 -3.70 114.28 96.36 1n2k n THR 408 Ca 0.16 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.71 1n2k n THR 408 Cb 0.57 -0.92 0.01 0.00 -2.10 0.00 0.00 70.33 67.89 1n2k n THR 408 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1n2k s THR 409 N -1.26 3.85 0.08 4.28 -1.32 -1.26 -5.00 115.64 115.01 1n2k s THR 409 Ca 0.00 -0.54 0.18 0.00 -1.21 0.00 0.00 61.69 60.12 1n2k s THR 409 Cb 0.00 -3.42 0.11 0.00 -1.51 0.00 0.00 72.50 67.68 1n2k s THR 409 CO 0.00 -0.29 1.65 0.00 -2.21 0.00 0.00 174.62 173.77 1n2k h ALA 410 N 0.38 0.89 -2.08 11.08 0.00 -1.95 -3.43 119.26 124.15 1n2k h ALA 410 Ca -0.46 -0.38 -0.58 0.00 0.00 0.00 0.00 54.91 53.49 1n2k h ALA 410 Cb 1.26 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1n2k h ALA 410 CO 0.56 0.52 0.68 0.34 0.00 0.00 0.00 179.25 181.36 1n2k s ASP 411 N -6.43 6.87 0.52 0.00 -1.08 -1.26 -4.94 116.67 110.34 1n2k s ASP 411 Ca 0.01 0.98 0.27 0.00 -0.52 0.00 0.00 52.55 53.29 1n2k s ASP 411 Cb 0.10 -2.50 1.41 0.00 -1.46 0.00 0.00 42.92 40.47 1n2k s ASP 411 CO 0.70 -0.75 2.06 1.55 0.52 0.00 0.00 175.17 179.25 1n2k h PRO 412 N 7.98 0.00 0.00 4.34 0.13 -1.99 -3.01 132.00 139.45 1n2k h PRO 412 Ca -0.22 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.89 1n2k h PRO 412 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1n2k h PRO 412 CO 0.97 0.13 -0.14 0.00 -0.23 0.00 0.00 178.00 178.73 1n2k h ALA 413 N 1.87 1.46 0.00 -0.56 0.00 -1.97 -2.87 119.26 117.20 1n2k h ALA 413 Ca -0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1n2k h ALA 413 Cb 0.35 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1n2k h ALA 413 CO 0.02 0.17 -0.82 0.00 0.00 0.00 0.00 179.25 178.62 1n2k s HIS 415 N -2.86 1.77 0.28 0.00 3.76 -1.08 0.39 115.29 117.54 1n2k s HIS 415 Ca 0.02 1.71 0.31 0.00 -0.15 0.00 0.00 55.06 56.95 1n2k s HIS 415 Cb 0.08 -3.42 1.43 0.00 1.11 0.00 0.00 32.58 31.78 1n2k s HIS 415 CO 0.78 -2.80 2.02 0.00 -0.85 0.00 0.00 174.74 173.90 1n2k h ALA 416 N -1.23 1.09 -0.83 -1.40 0.00 -1.85 -2.63 119.26 112.39 1n2k h ALA 416 Ca -0.45 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.42 1n2k h ALA 416 Cb 1.28 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1n2k h ALA 416 CO 0.45 0.11 0.55 0.77 0.00 0.00 0.00 179.25 181.12 1n2k h SER 417 N 0.00 0.86 -2.56 0.00 0.02 -1.90 -3.39 113.55 106.58 1n2k h SER 417 Ca -0.00 -0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.38 1n2k h SER 417 Cb 0.45 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1n2k h SER 417 CO 0.01 0.58 1.29 -0.44 -1.14 0.00 0.00 176.83 177.13 1n2k s SER 418 N -6.16 5.78 0.75 3.07 0.01 -1.00 -4.98 113.70 111.18 1n2k s SER 418 Ca -0.11 1.14 -0.11 0.00 1.31 0.00 0.00 55.95 58.18 1n2k s SER 418 Cb 0.19 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.94 1n2k s SER 418 CO 0.79 -1.83 1.12 -0.44 0.41 0.00 0.00 173.24 173.29 1n2k s SER 419 N 6.46 4.93 -0.29 2.44 0.01 -1.26 -2.26 113.70 123.73 1n2k s SER 419 Ca 0.78 0.86 -0.28 0.00 1.31 0.00 0.00 55.95 58.61 1n2k s SER 419 Cb -0.21 -1.51 -0.03 0.00 0.21 0.00 0.00 66.02 64.49 1n2k s SER 419 CO 0.31 -1.62 1.93 -0.22 0.41 0.00 0.00 173.24 174.05 1n2k s LEU 420 N -5.43 3.49 -0.08 2.44 0.20 -1.26 -4.59 118.68 113.45 1n2k s LEU 420 Ca 0.60 1.50 0.04 0.00 0.69 0.00 0.00 54.13 56.96 1n2k s LEU 420 Cb -0.11 -3.52 -0.01 0.00 -0.43 0.00 0.00 46.19 42.12 1n2k s LEU 420 CO 0.49 -1.78 -0.19 0.42 -0.29 0.00 0.00 176.35 175.00 1n2k s THR 421 N 7.31 2.58 0.61 3.68 -4.23 -0.86 -4.98 115.64 119.75 1n2k s THR 421 Ca 0.87 -0.87 -0.10 0.00 -1.18 0.00 0.00 61.69 60.41 1n2k s THR 421 Cb -0.26 -2.01 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 1n2k s THR 421 CO 0.34 0.56 0.99 0.00 -0.54 0.00 0.00 174.62 175.97 1n2k s ALA 422 N -0.11 3.13 -0.11 3.99 0.00 -1.26 -1.77 121.76 125.63 1n2k s ALA 422 Ca -0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 1n2k s ALA 422 Cb -0.14 -2.94 0.05 0.00 0.00 0.00 0.00 23.12 20.08 1n2k s ALA 422 CO 0.04 -0.72 0.06 -1.01 0.00 0.00 0.00 175.76 174.14 1n2k s HIS 423 N -3.12 0.29 -0.21 0.00 3.76 -0.37 -4.93 115.29 110.72 1n2k s HIS 423 Ca 0.54 -0.14 -0.05 0.00 -0.15 0.00 0.00 55.06 55.26 1n2k s HIS 423 Cb -0.11 -0.66 0.07 0.00 1.11 0.00 0.00 32.58 32.99 1n2k s HIS 423 CO 0.51 -0.38 0.10 -1.21 -0.85 0.00 0.00 174.74 172.91 1n2k s GLU 424 N 2.10 0.11 0.72 1.40 0.41 -1.26 -2.75 118.70 119.42 1n2k s GLU 424 Ca 0.03 -0.23 -0.13 0.00 -0.41 0.00 0.00 54.97 54.23 1n2k s GLU 424 Cb -0.14 -1.61 0.03 0.00 -1.78 0.00 0.00 34.13 30.63 1n2k s GLU 424 CO -0.06 -0.79 1.11 -1.25 -0.49 0.00 0.00 175.26 173.79 1n2k s PRO 425 N 2.13 2.46 0.90 0.39 0.04 -1.26 -5.14 135.00 134.52 1n2k s PRO 425 Ca 0.04 1.36 -0.10 0.00 0.04 0.00 0.00 61.00 62.34 1n2k s PRO 425 Cb -0.16 -1.91 0.14 0.00 0.04 0.00 0.00 34.50 32.61 1n2k s PRO 425 CO -0.18 -1.51 1.13 -1.25 0.04 0.00 0.00 177.00 175.23 1n2k s PRO 426 N -4.38 1.11 -0.28 0.56 0.04 -1.11 -4.92 135.00 126.02 1n2k s PRO 426 Ca 0.66 1.47 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 1n2k s PRO 426 Cb -0.20 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 1n2k s PRO 426 CO 0.48 -2.54 1.40 -0.51 0.04 0.00 0.00 177.00 175.86 1n2k s LEU 427 N -6.54 3.87 -0.23 -3.56 1.43 -1.07 -4.81 118.68 107.78 1n2k s LEU 427 Ca 0.66 1.31 -0.10 0.00 -1.03 0.00 0.00 54.13 54.97 1n2k s LEU 427 Cb -0.22 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 1n2k s LEU 427 CO 0.58 -1.15 0.14 -0.22 0.23 0.00 0.00 176.35 175.93 1n2k s LEU 428 N 4.67 4.05 0.00 1.79 2.96 -1.26 -1.35 118.68 129.55 1n2k s LEU 428 Ca 0.61 0.10 0.07 0.00 -0.22 0.00 0.00 54.13 54.68 1n2k s LEU 428 Cb -0.19 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 1n2k s LEU 428 CO 0.25 0.08 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.84 1n2k s TYR 429 N 0.98 1.84 -0.53 5.38 2.02 -0.60 -0.42 117.35 126.01 1n2k s TYR 429 Ca 0.07 -0.36 -0.15 0.00 -0.37 0.00 0.00 57.07 56.26 1n2k s TYR 429 Cb -0.13 -1.15 0.13 0.00 -0.40 0.00 0.00 41.96 40.40 1n2k s TYR 429 CO 0.04 0.01 0.48 0.34 -1.57 0.00 0.00 175.55 174.84 1n2k s ASP 430 N -0.69 6.12 0.54 2.29 -1.08 -1.26 -1.17 116.67 121.42 1n2k s ASP 430 Ca 0.08 -1.81 0.32 0.00 -0.52 0.00 0.00 52.55 50.61 1n2k s ASP 430 Cb -0.08 -2.18 1.46 0.00 -1.46 0.00 0.00 42.92 40.66 1n2k s ASP 430 CO -0.00 -0.83 2.03 -0.07 0.52 0.00 0.00 175.17 176.82 1n2k h LEU 431 N 8.82 0.00 -1.06 -1.34 3.38 -0.81 0.48 115.31 124.79 1n2k h LEU 431 Ca -0.29 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 1n2k h LEU 431 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1n2k h LEU 431 CO 1.01 0.08 -0.47 0.77 0.09 0.00 0.00 178.44 179.92 1n2k h SER 432 N 0.00 0.00 0.00 -0.43 4.64 -1.92 -2.63 113.55 113.20 1n2k h SER 432 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n2k h SER 432 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1n2k h SER 432 CO 0.01 0.47 -0.12 2.29 -0.87 0.00 0.00 176.83 178.61 1n2k n LYS 433 N -3.98 6.19 -3.11 4.77 2.85 -1.11 -4.82 118.16 118.97 1n2k n LYS 433 Ca -0.02 -0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.05 1n2k n LYS 433 Cb 0.49 -0.62 -0.03 0.00 -0.65 0.00 0.00 35.03 34.22 1n2k n LYS 433 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1n2k n ASP 434 N -1.06 -0.13 0.16 -5.58 2.03 0.17 -4.95 116.55 107.19 1n2k n ASP 434 Ca 0.00 -2.95 0.13 0.00 0.52 0.00 0.00 54.79 52.49 1n2k n ASP 434 Cb 0.04 -0.16 0.54 0.00 -0.72 0.00 0.00 41.12 40.82 1n2k n ASP 434 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1n2k h PRO 435 N 3.57 0.00 -0.01 -0.67 0.13 -1.64 -2.62 132.00 130.77 1n2k h PRO 435 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1n2k h PRO 435 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1n2k h PRO 435 CO 0.43 0.00 -0.02 0.41 -0.23 0.00 0.00 178.00 178.59 1n2k n GLY 436 N -0.21 -0.68 3.73 1.56 0.00 -1.26 -4.62 105.19 103.71 1n2k n GLY 436 Ca 0.01 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 1n2k n GLY 436 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n2k n GLU 437 N -0.63 -4.46 -0.10 1.61 1.02 -0.99 -4.41 120.64 112.68 1n2k n GLU 437 Ca 0.20 0.59 -0.12 0.00 -0.02 0.00 0.00 57.16 57.81 1n2k n GLU 437 Cb 0.22 -5.05 -0.13 0.00 -0.02 0.00 0.00 31.44 26.46 1n2k n GLU 437 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1n2k n ASN 438 N -3.03 1.09 -4.16 1.62 4.13 -1.26 -4.91 115.26 108.73 1n2k n ASN 438 Ca -0.29 -0.05 -0.36 0.00 1.68 0.00 0.00 54.58 55.56 1n2k n ASN 438 Cb 0.68 0.44 -0.12 0.00 -1.54 0.00 0.00 39.78 39.24 1n2k n ASN 438 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1n2k s TYR 439 N -2.46 3.46 -0.10 3.10 2.02 -1.26 -5.07 117.35 117.04 1n2k s TYR 439 Ca -0.18 -2.11 -0.30 0.00 -0.37 0.00 0.00 57.07 54.12 1n2k s TYR 439 Cb 0.07 -2.86 -0.03 0.00 -0.40 0.00 0.00 41.96 38.73 1n2k s TYR 439 CO 0.68 -0.90 1.41 1.21 -1.57 0.00 0.00 175.55 176.38 1n2k s ASN 440 N 1.70 6.84 0.17 2.29 2.47 -1.26 -4.66 114.94 122.48 1n2k s ASN 440 Ca 0.04 1.94 -0.11 0.00 0.42 0.00 0.00 52.86 55.15 1n2k s ASN 440 Cb -0.22 -2.54 0.05 0.00 -1.45 0.00 0.00 41.25 37.09 1n2k s ASN 440 CO -0.02 -0.80 1.63 -0.07 -3.72 0.00 0.00 177.10 174.12 1n2k h LEU 441 N 9.61 0.96 0.00 3.21 3.38 -1.14 -2.40 115.31 128.93 1n2k h LEU 441 Ca -0.33 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1n2k h LEU 441 Cb 1.14 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1n2k h LEU 441 CO 0.95 1.02 0.00 0.18 0.09 0.00 0.00 178.44 180.68 1n2k n LEU 442 N -4.26 0.00 -0.16 1.67 4.32 -1.26 -4.98 117.00 112.33 1n2k n LEU 442 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 1n2k n LEU 442 Cb 0.32 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.12 1n2k n LEU 442 CO 0.43 0.00 0.20 0.61 -1.22 0.00 0.00 177.39 177.41 1n2k n GLY 443 N 0.57 -0.09 0.00 -0.72 0.00 -0.91 -5.04 105.19 98.99 1n2k n GLY 443 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1n2k n GLY 443 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2k n ALA 448 N -0.25 0.00 -1.72 4.61 0.00 -1.26 -5.15 120.51 116.73 1n2k n ALA 448 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1n2k n ALA 448 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 1n2k n ALA 448 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1n2k n THR 449 N 0.00 0.55 -0.35 0.00 -1.04 -1.26 -4.66 114.28 107.52 1n2k n THR 449 Ca 0.00 -0.14 0.26 0.00 -2.04 0.00 0.00 64.05 62.13 1n2k n THR 449 Cb 0.00 -1.89 0.53 0.00 -1.82 0.00 0.00 70.33 67.15 1n2k n THR 449 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1n2k h PRO 450 N 5.56 0.32 -0.01 -2.82 0.11 -2.04 0.88 132.00 134.00 1n2k h PRO 450 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1n2k h PRO 450 Cb 1.22 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1n2k h PRO 450 CO 0.86 0.21 -0.01 1.49 -0.21 0.00 0.00 178.00 180.34 1n2k h GLU 451 N 0.33 0.01 0.07 1.05 4.81 -1.99 -2.00 114.58 116.86 1n2k h GLU 451 Ca 0.67 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.89 1n2k h GLU 451 Cb 1.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.14 1n2k h GLU 451 CO -0.38 0.50 -0.03 0.28 -0.73 0.00 0.00 179.01 178.65 1n2k h VAL 452 N -0.47 1.01 -0.54 0.32 2.07 -1.27 -2.11 116.25 115.25 1n2k h VAL 452 Ca 0.00 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.32 1n2k h VAL 452 Cb 0.50 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1n2k h VAL 452 CO 0.00 0.07 0.36 0.25 0.02 0.00 0.00 177.57 178.27 1n2k h LEU 453 N -0.21 0.42 -0.34 2.57 5.85 0.60 -0.80 115.31 123.40 1n2k h LEU 453 Ca -0.01 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.52 1n2k h LEU 453 Cb 0.18 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1n2k h LEU 453 CO 0.01 0.28 -0.81 -0.61 -0.34 0.00 0.00 178.44 176.97 1n2k h GLN 454 N 0.48 0.33 -0.22 1.25 4.15 -1.18 -3.00 115.11 116.92 1n2k h GLN 454 Ca 0.24 -0.30 -0.12 0.00 0.77 0.00 0.00 58.65 59.23 1n2k h GLN 454 Cb 0.32 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1n2k h GLN 454 CO -0.07 0.97 -0.37 0.00 -1.93 0.00 0.00 178.83 177.44 1n2k h ALA 455 N 0.93 0.96 0.48 3.38 0.00 -0.51 -2.71 119.26 121.79 1n2k h ALA 455 Ca -0.04 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1n2k h ALA 455 Cb 1.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1n2k h ALA 455 CO 0.13 0.62 -0.23 1.25 0.00 0.00 0.00 179.25 181.02 1n2k h LEU 456 N 0.40 -0.55 -2.02 0.00 5.85 -1.15 0.57 115.31 118.41 1n2k h LEU 456 Ca 0.04 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1n2k h LEU 456 Cb 0.83 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1n2k h LEU 456 CO 0.07 -0.29 0.14 0.11 -0.34 0.00 0.00 178.44 178.13 1n2k h LYS 457 N -0.78 0.00 -0.02 1.25 1.57 -1.55 0.12 116.57 117.16 1n2k h LYS 457 Ca -0.07 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1n2k h LYS 457 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1n2k h LYS 457 CO 0.11 0.00 -0.12 0.37 -0.57 0.00 0.00 179.45 179.24 1n2k h GLN 458 N 0.00 0.11 -0.36 3.15 4.15 -1.23 -2.72 115.11 118.21 1n2k h GLN 458 Ca 0.09 -0.09 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1n2k h GLN 458 Cb 0.37 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1n2k h GLN 458 CO -0.00 0.77 0.01 -0.07 -1.93 0.00 0.00 178.83 177.61 1n2k h LEU 459 N -0.52 0.52 -0.52 -2.39 3.38 -0.01 -1.59 115.31 114.19 1n2k h LEU 459 Ca -0.01 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 1n2k h LEU 459 Cb 0.80 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1n2k h LEU 459 CO 0.02 0.59 -0.47 1.56 0.09 0.00 0.00 178.44 180.23 1n2k h GLN 460 N 0.54 0.67 -0.30 1.13 4.20 -0.86 -2.86 115.11 117.62 1n2k h GLN 460 Ca 0.12 -0.38 -0.18 0.00 0.06 0.00 0.00 58.65 58.26 1n2k h GLN 460 Cb 0.33 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1n2k h GLN 460 CO 0.01 0.99 -0.53 1.25 -0.67 0.00 0.00 178.83 179.88 1n2k h LEU 461 N 0.53 0.99 -1.10 1.46 5.85 -1.14 -2.71 115.31 119.19 1n2k h LEU 461 Ca 0.03 -0.52 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1n2k h LEU 461 Cb 1.01 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1n2k h LEU 461 CO 0.10 1.33 0.44 -0.07 -0.34 0.00 0.00 178.44 179.89 1n2k h LEU 462 N 0.69 0.95 0.35 2.25 3.38 -1.30 -1.07 115.31 120.56 1n2k h LEU 462 Ca 0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1n2k h LEU 462 Cb 1.14 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1n2k h LEU 462 CO 0.12 0.75 -0.17 0.50 0.09 0.00 0.00 178.44 179.73 1n2k h LYS 463 N 1.08 -0.45 -0.56 1.13 3.64 -1.45 -2.50 116.57 117.45 1n2k h LYS 463 Ca 0.28 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.77 1n2k h LYS 463 Cb -0.00 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1n2k h LYS 463 CO -0.05 -0.18 0.38 0.00 -2.27 0.00 0.00 179.45 177.33 1n2k h ALA 464 N -0.13 1.95 -0.32 5.00 0.00 -1.30 -1.07 119.26 123.38 1n2k h ALA 464 Ca -0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1n2k h ALA 464 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1n2k h ALA 464 CO 0.08 -0.06 -0.27 1.96 0.00 0.00 0.00 179.25 180.96 1n2k h GLN 465 N 0.44 0.75 -0.19 0.00 4.20 -1.11 -2.62 115.11 116.57 1n2k h GLN 465 Ca 0.25 -0.37 -0.12 0.00 0.06 0.00 0.00 58.65 58.47 1n2k h GLN 465 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1n2k h GLN 465 CO -0.07 0.99 -0.35 1.25 -0.67 0.00 0.00 178.83 179.99 1n2k h LEU 466 N 0.51 0.64 -1.53 1.46 5.85 -0.92 -2.00 115.31 119.32 1n2k h LEU 466 Ca 0.06 -0.54 0.01 0.00 0.84 0.00 0.00 57.88 58.25 1n2k h LEU 466 Cb 0.83 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1n2k h LEU 466 CO 0.07 1.06 0.33 0.44 -0.34 0.00 0.00 178.44 180.00 1n2k h ASP 467 N 0.25 0.54 -0.13 1.25 3.32 -1.28 0.17 116.42 120.55 1n2k h ASP 467 Ca 0.01 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1n2k h ASP 467 Cb 0.94 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.37 1n2k h ASP 467 CO 0.08 0.39 -0.55 0.00 -1.72 0.00 0.00 179.24 177.44 1n2k h ALA 468 N 1.70 0.24 0.07 3.45 0.00 -1.39 -3.38 119.26 119.95 1n2k h ALA 468 Ca 0.18 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1n2k h ALA 468 Cb -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1n2k h ALA 468 CO -0.04 0.45 -0.04 0.00 0.00 0.00 0.00 179.25 179.62 1n2k h ALA 469 N 0.50 -0.10 -2.43 0.00 0.00 -0.94 -3.45 119.26 112.84 1n2k h ALA 469 Ca -0.03 -0.23 -0.54 0.00 0.00 0.00 0.00 54.91 54.11 1n2k h ALA 469 Cb 1.19 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1n2k h ALA 469 CO 0.11 -0.13 0.91 0.08 0.00 0.00 0.00 179.25 180.23 1n2k s VAL 470 N -2.48 3.33 -0.15 0.00 1.01 0.56 -5.01 120.40 117.66 1n2k s VAL 470 Ca -0.10 0.77 -0.01 0.00 0.00 0.00 0.00 61.98 62.64 1n2k s VAL 470 Cb -0.01 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1n2k s VAL 470 CO 0.38 0.00 -0.12 0.28 0.00 0.00 0.00 175.10 175.64 1n2k s THR 471 N 2.41 3.03 0.04 3.92 -1.32 -1.26 -4.79 115.64 117.67 1n2k s THR 471 Ca 0.69 -0.66 -0.30 0.00 -1.21 0.00 0.00 61.69 60.21 1n2k s THR 471 Cb -0.36 -2.29 -0.08 0.00 -1.51 0.00 0.00 72.50 68.26 1n2k s THR 471 CO 0.30 0.51 1.72 -0.36 -2.21 0.00 0.00 174.62 174.58 1n2k s PHE 472 N 0.61 2.11 0.62 9.09 0.40 -1.26 -4.53 117.98 125.01 1n2k s PHE 472 Ca -0.07 0.13 -0.14 0.00 -0.60 0.00 0.00 56.93 56.25 1n2k s PHE 472 Cb -0.15 -4.02 -0.03 0.00 0.51 0.00 0.00 43.02 39.33 1n2k s PHE 472 CO 0.03 -4.24 1.04 0.20 0.70 0.00 0.00 175.22 172.95 1n2k s GLY 473 N 2.97 1.91 -0.07 4.36 0.00 0.14 -4.94 107.32 111.69 1n2k s GLY 473 Ca 0.77 0.20 -0.38 0.00 0.00 0.00 0.00 44.72 45.31 1n2k s GLY 473 CO 0.34 0.50 1.55 -1.05 0.00 0.00 0.00 173.10 174.44 1n2k n PRO 474 N -2.41 1.28 -1.62 2.90 -0.02 -1.26 -3.87 135.00 130.01 1n2k n PRO 474 Ca 0.08 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.59 1n2k n PRO 474 Cb 0.53 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 1n2k n PRO 474 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1n2k n SER 475 N 4.00 3.55 0.05 2.55 2.88 -1.26 -4.09 113.62 121.30 1n2k n SER 475 Ca 0.22 0.50 -0.07 0.00 -1.33 0.00 0.00 58.87 58.19 1n2k n SER 475 Cb 0.18 -1.52 0.09 0.00 -0.75 0.00 0.00 64.21 62.21 1n2k n SER 475 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1n2k h GLN 476 N 13.05 0.37 -0.01 -1.46 1.08 -0.92 -3.14 115.11 124.09 1n2k h GLN 476 Ca -0.44 -0.25 -0.13 0.00 -1.45 0.00 0.00 58.65 56.39 1n2k h GLN 476 Cb 1.25 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.69 1n2k h GLN 476 CO 0.96 0.85 -0.59 0.28 -0.95 0.00 0.00 178.83 179.37 1n2k h VAL 477 N 0.28 1.42 0.00 -0.54 2.07 -1.74 -2.96 116.25 114.78 1n2k h VAL 477 Ca -0.00 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.50 1n2k h VAL 477 Cb 1.10 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1n2k h VAL 477 CO 0.10 0.58 0.00 0.00 0.02 0.00 0.00 177.57 178.27 1n2k n ALA 478 N -2.43 2.38 0.90 1.67 0.00 -1.19 -3.46 120.51 118.38 1n2k n ALA 478 Ca -0.01 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.36 1n2k n ALA 478 Cb 0.60 -1.43 0.44 0.00 0.00 0.00 0.00 19.45 19.05 1n2k n ALA 478 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n2k n ARG 479 N -1.19 0.40 0.00 0.00 1.74 -1.12 -4.97 116.66 111.53 1n2k n ARG 479 Ca 0.15 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1n2k n ARG 479 Cb 0.17 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1n2k n ARG 479 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n2k n GLY 480 N -0.01 -0.14 3.37 -0.13 0.00 -1.22 -4.78 105.19 102.27 1n2k n GLY 480 Ca 0.10 -1.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 1n2k n GLY 480 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n2k s GLU 481 N -1.58 1.39 -0.24 1.61 2.02 -1.26 -1.61 118.70 119.04 1n2k s GLU 481 Ca 0.00 -1.29 -0.03 0.00 0.02 0.00 0.00 54.97 53.67 1n2k s GLU 481 Cb 0.00 -1.82 0.11 0.00 0.10 0.00 0.00 34.13 32.52 1n2k s GLU 481 CO 0.00 0.43 0.23 0.34 0.02 0.00 0.00 175.26 176.28 1n2k s ASP 482 N -1.94 1.74 0.45 -0.19 2.15 0.58 -4.92 116.67 114.54 1n2k s ASP 482 Ca 0.12 -0.51 0.26 0.00 0.43 0.00 0.00 52.55 52.86 1n2k s ASP 482 Cb -0.10 0.31 1.44 0.00 -0.30 0.00 0.00 42.92 44.27 1n2k s ASP 482 CO 0.05 -0.36 1.79 1.55 -0.17 0.00 0.00 175.17 178.03 1n2k h PRO 483 N 8.31 0.00 0.00 4.34 0.13 -1.98 -0.53 132.00 142.28 1n2k h PRO 483 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1n2k h PRO 483 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1n2k h PRO 483 CO 0.32 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.09 1n2k n ALA 484 N -1.82 1.72 1.37 -0.56 0.00 -1.26 -2.23 120.51 117.72 1n2k n ALA 484 Ca -0.02 0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.63 1n2k n ALA 484 Cb 0.15 -1.39 0.56 0.00 0.00 0.00 0.00 19.45 18.77 1n2k n ALA 484 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1n2k n LEU 485 N -2.20 0.58 -4.69 0.00 4.77 -0.21 -4.89 117.00 110.36 1n2k n LEU 485 Ca 0.02 -0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 1n2k n LEU 485 Cb 0.24 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1n2k n LEU 485 CO 0.20 0.11 1.18 -1.10 -1.33 0.00 0.00 177.39 176.45 1n2k s GLN 486 N -2.49 4.26 -0.06 3.23 -0.21 -0.95 -4.87 119.66 118.57 1n2k s GLN 486 Ca 0.28 2.12 -0.29 0.00 0.02 0.00 0.00 55.36 57.49 1n2k s GLN 486 Cb 0.20 -3.50 -0.07 0.00 1.00 0.00 0.00 33.01 30.64 1n2k s GLN 486 CO 0.49 -0.61 1.93 0.42 -2.12 0.00 0.00 175.29 175.40 1n2k s ILE 487 N 2.19 3.18 -0.10 1.08 1.01 -1.26 -4.98 121.20 122.32 1n2k s ILE 487 Ca 0.68 0.21 0.03 0.00 0.00 0.00 0.00 60.65 61.57 1n2k s ILE 487 Cb -0.36 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1n2k s ILE 487 CO 0.29 -0.05 -0.20 0.00 0.00 0.00 0.00 174.94 174.99 1n2k s HIS 490 N -5.75 3.44 0.32 0.00 3.76 -1.26 -5.01 115.29 110.80 1n2k s HIS 490 Ca -0.13 -1.93 -0.29 0.00 -0.15 0.00 0.00 55.06 52.56 1n2k s HIS 490 Cb 0.16 -3.19 -0.11 0.00 1.11 0.00 0.00 32.58 30.54 1n2k s HIS 490 CO 0.83 -0.94 1.55 -2.30 -0.85 0.00 0.00 174.74 173.03 1n2k n PRO 491 N 4.80 2.68 -2.78 8.40 -0.02 -1.26 -2.44 135.00 144.38 1n2k n PRO 491 Ca -0.07 0.95 -0.13 0.00 -2.02 0.00 0.00 63.50 62.23 1n2k n PRO 491 Cb 0.42 -2.71 0.03 0.00 -0.02 0.00 0.00 33.50 31.21 1n2k n PRO 491 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n2k n GLY 492 N 1.57 0.02 3.80 -1.23 0.00 -1.26 -5.00 105.19 103.08 1n2k n GLY 492 Ca 0.06 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1n2k n GLY 492 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2k s THR 494 N -3.09 -0.00 -0.26 0.00 -4.23 -1.26 -4.23 115.64 102.58 1n2k s THR 494 Ca 0.60 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.94 1n2k s THR 494 Cb -0.15 -0.99 -0.03 0.00 1.34 0.00 0.00 72.50 72.68 1n2k s THR 494 CO 0.55 0.00 0.46 -2.16 -0.54 0.00 0.00 174.62 172.93 1n2k s PRO 495 N 1.51 4.06 0.64 3.99 0.04 -1.26 -4.84 135.00 139.15 1n2k s PRO 495 Ca -0.09 0.23 -0.16 0.00 0.04 0.00 0.00 61.00 61.02 1n2k s PRO 495 Cb -0.05 -3.64 -0.01 0.00 0.04 0.00 0.00 34.50 30.84 1n2k s PRO 495 CO -0.18 -0.30 1.12 1.03 0.04 0.00 0.00 177.00 178.71 1n2k s ARG 496 N 2.15 2.85 0.00 4.56 0.52 -1.26 -2.18 118.95 125.59 1n2k s ARG 496 Ca 0.19 1.47 0.23 0.00 -0.52 0.00 0.00 55.73 57.10 1n2k s ARG 496 Cb -0.16 -1.95 0.21 0.00 0.52 0.00 0.00 34.95 33.58 1n2k s ARG 496 CO 0.09 -1.23 1.21 -0.35 0.02 0.00 0.00 175.30 175.05 1n2k n PRO 497 N -2.23 0.00 -0.12 3.54 -0.04 -1.26 -4.83 135.00 130.06 1n2k n PRO 497 Ca 0.11 -0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.75 1n2k n PRO 497 Cb 0.52 -1.50 0.57 0.00 -0.04 0.00 0.00 33.50 33.05 1n2k n PRO 497 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n2k h ALA 498 N 3.00 2.28 0.00 0.55 0.00 -1.85 -1.22 119.26 122.02 1n2k h ALA 498 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1n2k h ALA 498 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1n2k h ALA 498 CO 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 179.25 178.77 1n2k s HIS 501 N 7.42 0.23 0.00 0.00 3.76 -1.26 -4.60 115.29 120.84 1n2k s HIS 501 Ca 0.51 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.89 1n2k s HIS 501 Cb -0.10 -0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.42 1n2k s HIS 501 CO 0.17 -0.32 0.00 0.00 -0.85 0.00 0.00 174.74 173.74 1n2k n PRO 503 N 0.00 -3.23 0.00 0.00 -0.02 -1.25 -1.44 135.00 129.07 1n2k n PRO 503 Ca 0.00 -0.93 0.11 0.00 -2.02 0.00 0.00 63.50 60.66 1n2k n PRO 503 Cb 0.00 -1.07 0.09 0.00 -0.02 0.00 0.00 33.50 32.50 1n2k n PRO 503 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23