#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyh n GLU 12 N 0.00 0.86 -1.55 0.54 4.07 -1.26 -4.79 120.64 118.51 3kyh n GLU 12 Ca 0.00 0.31 -0.44 0.00 -0.06 0.00 0.00 57.16 56.97 3kyh n GLU 12 Cb 0.00 -1.88 -0.01 0.00 -0.06 0.00 0.00 31.44 29.49 3kyh n GLU 12 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 3kyh n ILE 13 N 2.04 2.02 -0.32 6.31 0.13 -1.26 -4.90 119.36 123.38 3kyh n ILE 13 Ca 0.18 -0.50 0.02 0.00 -1.10 0.00 0.00 62.75 61.35 3kyh n ILE 13 Cb 0.18 -0.84 0.16 0.00 -0.84 0.00 0.00 39.64 38.30 3kyh n ILE 13 CO 0.00 0.00 0.00 -0.65 2.80 0.00 0.00 176.55 178.70 3kyh h PRO 14 N 1.68 0.94 0.00 9.51 0.11 -2.00 -3.43 132.00 138.82 3kyh h PRO 14 Ca -0.39 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kyh h PRO 14 Cb 1.36 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kyh h PRO 14 CO 0.59 0.62 0.00 0.41 -0.21 0.00 0.00 178.00 179.41 3kyh n GLY 15 N -1.33 0.46 0.00 -0.55 0.00 -1.26 -4.85 105.19 97.66 3kyh n GLY 15 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3kyh n GLY 15 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3kyh n LEU 16 N -0.35 0.00 -4.84 0.99 -0.00 -1.26 -4.86 117.00 106.68 3kyh n LEU 16 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.68 3kyh n LEU 16 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 3kyh n LEU 16 CO 0.00 0.00 0.45 -0.63 -0.00 0.00 0.00 177.39 177.21 3kyh s ILE 17 N -1.96 4.64 0.23 1.47 1.01 -1.25 -0.30 121.20 125.04 3kyh s ILE 17 Ca 0.00 1.03 -0.04 0.00 0.00 0.00 0.00 60.65 61.64 3kyh s ILE 17 Cb 0.00 -3.62 0.06 0.00 0.01 0.00 0.00 42.46 38.91 3kyh s ILE 17 CO 0.00 -0.19 0.26 0.00 0.00 0.00 0.00 174.94 175.00 3kyh n GLN 18 N -0.37 -0.84 -0.68 2.79 1.13 -1.26 -4.99 117.38 113.15 3kyh n GLN 18 Ca 0.04 -0.40 -0.32 0.00 -1.94 0.00 0.00 57.00 54.37 3kyh n GLN 18 Cb 0.53 -0.31 0.17 0.00 0.11 0.00 0.00 30.24 30.74 3kyh n GLN 18 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3kyh n PRO 19 N -1.88 -1.50 -0.15 -1.09 -0.02 -1.26 -4.85 135.00 124.24 3kyh n PRO 19 Ca 0.03 -0.42 -0.11 0.00 -2.02 0.00 0.00 63.50 60.98 3kyh n PRO 19 Cb 0.12 -1.70 0.01 0.00 -0.02 0.00 0.00 33.50 31.91 3kyh n PRO 19 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3kyh h GLY 20 N -2.03 1.05 0.51 -1.23 0.00 -1.99 -2.90 103.07 96.49 3kyh h GLY 20 Ca -0.53 -0.94 -0.01 0.00 0.00 0.00 0.00 47.33 45.86 3kyh h GLY 20 CO 0.38 0.85 -0.46 3.45 0.00 0.00 0.00 176.54 180.76 3kyh h ASN 21 N 0.84 -1.27 -0.96 0.19 -1.07 -2.00 0.15 115.58 111.46 3kyh h ASN 21 Ca 0.11 0.11 0.14 0.00 0.07 0.00 0.00 56.30 56.73 3kyh h ASN 21 Cb 0.80 0.43 -0.08 0.00 -2.07 0.00 0.00 38.32 37.40 3kyh h ASN 21 CO 0.07 -0.61 0.61 0.58 0.07 0.00 0.00 177.43 178.15 3kyh h VAL 22 N -0.90 0.85 0.26 6.14 2.07 -1.93 0.64 116.25 123.38 3kyh h VAL 22 Ca -0.04 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3kyh h VAL 22 Cb 0.80 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3kyh h VAL 22 CO -0.09 0.15 -0.13 0.74 0.02 0.00 0.00 177.57 178.26 3kyh h THR 23 N 0.83 0.00 -0.26 2.57 2.02 -1.21 -3.32 112.91 113.53 3kyh h THR 23 Ca 0.49 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.70 3kyh h THR 23 Cb 0.65 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3kyh h THR 23 CO -0.26 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.49 3kyh n GLN 24 N -3.00 -0.11 -0.33 6.66 6.02 0.48 0.15 117.38 127.26 3kyh n GLN 24 Ca -0.04 0.40 0.31 0.00 -0.01 0.00 0.00 57.00 57.65 3kyh n GLN 24 Cb 0.14 -0.59 0.54 0.00 1.02 0.00 0.00 30.24 31.36 3kyh n GLN 24 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3kyh n ASP 25 N -4.34 0.26 0.09 1.08 10.43 -1.18 -0.32 116.55 122.58 3kyh n ASP 25 Ca 0.01 1.36 -0.16 0.00 2.57 0.00 0.00 54.79 58.56 3kyh n ASP 25 Cb 0.07 -0.66 -0.14 0.00 1.84 0.00 0.00 41.12 42.23 3kyh n ASP 25 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3kyh h LEU 26 N 0.00 0.43 -0.35 0.64 4.07 0.12 -1.24 115.31 118.98 3kyh h LEU 26 Ca 0.75 -0.49 0.08 0.00 0.08 0.00 0.00 57.88 58.30 3kyh h LEU 26 Cb 2.16 -0.14 -0.08 0.00 1.08 0.00 0.00 40.66 43.67 3kyh h LEU 26 CO -0.57 1.39 -0.27 0.11 -1.08 0.00 0.00 178.44 178.02 3kyh h LYS 27 N 0.07 -0.21 -0.24 1.13 1.57 -0.74 0.76 116.57 118.91 3kyh h LYS 27 Ca -0.17 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3kyh h LYS 27 Cb 1.99 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 34.28 3kyh h LYS 27 CO 0.19 -0.14 -0.32 0.52 -0.57 0.00 0.00 179.45 179.14 3kyh h MET 28 N -0.22 -0.32 -0.97 3.15 2.86 -1.54 -1.71 114.93 116.18 3kyh h MET 28 Ca 0.17 0.02 0.26 0.00 -2.06 0.00 0.00 59.70 58.09 3kyh h MET 28 Cb 0.49 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.17 3kyh h MET 28 CO -0.48 -0.21 0.67 0.52 1.06 0.00 0.00 176.91 178.46 3kyh h MET 29 N -0.33 0.18 0.07 1.72 2.86 0.32 0.23 114.93 119.99 3kyh h MET 29 Ca 0.13 -0.01 -0.27 0.00 -2.06 0.00 0.00 59.70 57.49 3kyh h MET 29 Cb 0.53 -0.04 0.02 0.00 0.06 0.00 0.00 31.60 32.17 3kyh h MET 29 CO -0.42 0.12 -1.13 0.28 1.06 0.00 0.00 176.91 176.81 3kyh h VAL 30 N 0.19 1.35 -0.78 -2.22 2.07 -0.13 -3.39 116.25 113.35 3kyh h VAL 30 Ca 0.49 -2.53 0.18 0.00 0.82 0.00 0.00 66.70 65.67 3kyh h VAL 30 Cb 1.60 2.62 -0.14 0.00 -1.52 0.00 0.00 31.29 33.85 3kyh h VAL 30 CO -0.11 0.76 0.03 0.00 0.02 0.00 0.00 177.57 178.27 3kyh h LYS 32 N 0.11 0.00 0.00 0.00 1.79 -1.78 0.43 116.57 117.12 3kyh h LYS 32 Ca 0.44 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.90 3kyh h LYS 32 Cb 0.79 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.44 3kyh h LYS 32 CO -0.68 0.79 -0.02 1.25 -1.08 0.00 0.00 179.45 179.72 3kyh h LEU 33 N 0.00 0.00 0.00 2.94 6.46 -1.13 0.41 115.31 123.99 3kyh h LEU 33 Ca -0.10 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 3kyh h LEU 33 Cb 1.81 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.74 3kyh h LEU 33 CO 0.11 0.02 -1.45 0.18 -0.62 0.00 0.00 178.44 176.68 3kyh n LEU 34 N -3.66 0.54 -3.78 2.25 4.77 -0.76 -4.41 117.00 111.95 3kyh n LEU 34 Ca -0.03 -0.26 -0.29 0.00 -0.03 0.00 0.00 56.01 55.41 3kyh n LEU 34 Cb 0.10 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.21 3kyh n LEU 34 CO 0.26 0.13 -0.13 -0.46 -1.33 0.00 0.00 177.39 175.87 3kyh n ASN 35 N -1.86 -3.20 -3.64 -1.43 0.23 0.14 -5.03 115.26 100.48 3kyh n ASN 35 Ca 0.00 -1.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.00 3kyh n ASN 35 Cb 0.44 -3.33 -0.07 0.00 -2.08 0.00 0.00 39.78 34.74 3kyh n ASN 35 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3kyh s SER 36 N -3.87 -0.52 0.50 0.53 0.15 0.11 -4.97 113.70 105.64 3kyh s SER 36 Ca 0.27 0.90 0.21 0.00 0.70 0.00 0.00 55.95 58.03 3kyh s SER 36 Cb -0.10 1.08 1.16 0.00 -1.71 0.00 0.00 66.02 66.45 3kyh s SER 36 CO 0.87 -0.15 1.61 1.55 1.20 0.00 0.00 173.24 178.32 3kyh h PRO 37 N 5.30 0.00 -0.65 5.44 0.13 -1.97 -3.37 132.00 136.88 3kyh h PRO 37 Ca -0.28 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.00 3kyh h PRO 37 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 3kyh h PRO 37 CO 0.15 0.00 -0.07 1.63 -0.23 0.00 0.00 178.00 179.48 3kyh n LYS 38 N -2.48 -0.06 0.00 0.86 4.76 -1.26 -0.22 118.16 119.76 3kyh n LYS 38 Ca -0.01 1.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.42 3kyh n LYS 38 Cb 0.36 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 3kyh n LYS 38 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3kyh n PRO 39 N -4.96 0.42 -0.13 1.97 -0.02 -1.25 -1.48 135.00 129.54 3kyh n PRO 39 Ca 0.13 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.51 3kyh n PRO 39 Cb 0.42 -1.12 -0.01 0.00 -0.02 0.00 0.00 33.50 32.76 3kyh n PRO 39 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3kyh h THR 40 N 0.00 1.24 0.00 3.45 1.35 -0.87 -3.42 112.91 114.66 3kyh h THR 40 Ca 0.00 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 3kyh h THR 40 Cb 0.12 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3kyh h THR 40 CO 0.00 0.30 0.00 2.29 -0.25 0.00 0.00 175.52 177.86 3kyh n LYS 41 N -4.53 0.74 -2.79 4.72 0.00 -1.15 -5.02 118.16 110.13 3kyh n LYS 41 Ca -0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.89 3kyh n LYS 41 Cb 0.24 -0.28 -0.05 0.00 -0.00 0.00 0.00 35.03 34.94 3kyh n LYS 41 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3kyh s THR 42 N -0.78 4.56 -0.26 0.58 -4.23 -0.55 -4.47 115.64 110.50 3kyh s THR 42 Ca 0.00 1.96 -0.29 0.00 -1.18 0.00 0.00 61.69 62.18 3kyh s THR 42 Cb 0.00 -4.27 -0.03 0.00 1.34 0.00 0.00 72.50 69.54 3kyh s THR 42 CO 0.00 0.33 1.73 0.12 -0.54 0.00 0.00 174.62 176.26 3kyh s PHE 43 N 0.00 1.91 -0.34 3.99 5.36 -1.26 -3.86 117.98 123.77 3kyh s PHE 43 Ca 0.45 0.53 0.20 0.00 -0.96 0.00 0.00 56.93 57.15 3kyh s PHE 43 Cb -0.23 -4.06 1.03 0.00 -0.34 0.00 0.00 43.02 39.43 3kyh s PHE 43 CO 0.28 -3.10 1.62 -0.35 -1.46 0.00 0.00 175.22 172.21 3kyh n PRO 44 N 8.02 0.14 -3.13 10.12 -0.04 -1.26 -3.01 135.00 145.84 3kyh n PRO 44 Ca 0.21 0.57 -0.39 0.00 -0.04 0.00 0.00 63.50 63.85 3kyh n PRO 44 Cb 0.46 -1.90 -0.06 0.00 -0.04 0.00 0.00 33.50 31.97 3kyh n PRO 44 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3kyh s GLY 45 N -3.50 2.71 0.28 0.55 0.00 -1.26 -3.89 107.32 102.21 3kyh s GLY 45 Ca -0.00 0.14 -0.29 0.00 0.00 0.00 0.00 44.72 44.56 3kyh s GLY 45 CO 0.23 0.80 1.40 -0.45 0.00 0.00 0.00 173.10 175.08 3kyh s SER 46 N -0.46 6.67 0.03 1.64 0.15 -1.26 -4.59 113.70 115.89 3kyh s SER 46 Ca 0.33 2.70 0.00 0.00 0.70 0.00 0.00 55.95 59.68 3kyh s SER 46 Cb -0.20 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.44 3kyh s SER 46 CO 0.20 -0.66 0.12 -1.10 1.20 0.00 0.00 173.24 173.00 3kyh s GLN 47 N -0.94 3.15 -0.21 5.44 -1.52 -1.23 -5.02 119.66 119.34 3kyh s GLN 47 Ca 0.56 -0.51 -0.08 0.00 -1.95 0.00 0.00 55.36 53.38 3kyh s GLN 47 Cb -0.41 -2.90 -0.04 0.00 -0.22 0.00 0.00 33.01 29.44 3kyh s GLN 47 CO 0.48 0.62 0.08 -1.25 -0.25 0.00 0.00 175.29 174.97 3kyh s PRO 48 N -2.13 3.93 -0.13 2.91 0.04 -1.26 -2.96 135.00 135.40 3kyh s PRO 48 Ca 0.28 -0.36 -0.13 0.00 0.04 0.00 0.00 61.00 60.83 3kyh s PRO 48 Cb -0.12 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 3kyh s PRO 48 CO 0.20 0.14 0.30 0.54 0.04 0.00 0.00 177.00 178.22 3kyh s VAL 49 N 0.74 5.28 -0.13 -0.36 0.11 -0.94 -4.59 120.40 120.51 3kyh s VAL 49 Ca 0.04 0.57 -0.40 0.00 -2.93 0.00 0.00 61.98 59.26 3kyh s VAL 49 Cb -0.13 -3.62 -0.17 0.00 -1.53 0.00 0.00 36.38 30.92 3kyh s VAL 49 CO 0.02 0.45 1.48 -1.54 -3.33 0.00 0.00 175.10 172.18 3kyh n SER 50 N 3.09 1.62 -4.69 3.54 3.41 -1.26 -3.76 113.62 115.57 3kyh n SER 50 Ca -0.13 1.12 -0.44 0.00 -0.26 0.00 0.00 58.87 59.15 3kyh n SER 50 Cb 0.52 -1.09 -0.03 0.00 -0.26 0.00 0.00 64.21 63.35 3kyh n SER 50 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3kyh n PHE 51 N 3.60 2.43 -4.35 7.33 7.35 -0.61 -4.92 117.46 128.29 3kyh n PHE 51 Ca 0.23 0.25 -0.25 0.00 -0.76 0.00 0.00 57.45 56.92 3kyh n PHE 51 Cb 0.12 -2.56 -0.09 0.00 0.35 0.00 0.00 39.48 37.30 3kyh n PHE 51 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 3kyh s GLN 52 N 0.54 2.07 0.04 -4.13 2.00 -1.26 -4.68 119.66 114.23 3kyh s GLN 52 Ca 0.74 -1.76 -0.19 0.00 -2.00 0.00 0.00 55.36 52.15 3kyh s GLN 52 Cb -0.61 -1.92 -0.16 0.00 0.80 0.00 0.00 33.01 31.12 3kyh s GLN 52 CO 0.40 0.13 1.28 1.25 -0.50 0.00 0.00 175.29 177.86 3kyh h HIS 53 N 1.82 0.56 0.00 1.67 -0.00 -1.93 -3.02 115.15 114.25 3kyh h HIS 53 Ca -0.43 -0.21 0.00 0.00 -0.00 0.00 0.00 60.37 59.73 3kyh h HIS 53 Cb 1.25 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.56 3kyh h HIS 53 CO 0.71 0.92 0.28 -1.13 -0.00 0.00 0.00 177.93 178.71 3kyh n SER 54 N -4.40 0.35 -0.02 3.26 3.41 -1.26 -0.54 113.62 114.43 3kyh n SER 54 Ca -0.07 0.57 0.14 0.00 -0.26 0.00 0.00 58.87 59.25 3kyh n SER 54 Cb 0.48 -0.52 0.62 0.00 -0.26 0.00 0.00 64.21 64.53 3kyh n SER 54 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kyh n ASP 55 N -2.06 0.13 0.01 4.04 8.00 -1.14 -3.83 116.55 121.70 3kyh n ASP 55 Ca -0.01 0.05 -0.01 0.00 0.71 0.00 0.00 54.79 55.54 3kyh n ASP 55 Cb 0.30 -0.29 -0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3kyh n ASP 55 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3kyh h VAL 56 N 0.09 0.00 0.00 2.53 2.07 -1.01 -0.57 116.25 119.36 3kyh h VAL 56 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3kyh h VAL 56 Cb 0.41 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3kyh h VAL 56 CO 0.00 0.00 0.00 -1.84 0.02 0.00 0.00 177.57 175.75 3kyh n GLU 57 N -2.46 0.14 -0.09 1.57 0.00 -1.26 -0.15 120.64 118.40 3kyh n GLU 57 Ca -0.01 0.63 -0.10 0.00 0.00 0.00 0.00 57.16 57.68 3kyh n GLU 57 Cb 0.02 -1.96 -0.04 0.00 0.00 0.00 0.00 31.44 29.46 3kyh n GLU 57 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3kyh n GLU 58 N -2.27 0.51 0.00 3.44 1.02 -1.25 -4.57 120.64 117.53 3kyh n GLU 58 Ca -0.01 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 3kyh n GLU 58 Cb 0.05 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 3kyh n GLU 58 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kyh n LYS 59 N -4.49 0.00 0.00 3.49 4.76 -1.01 -3.96 118.16 116.95 3kyh n LYS 59 Ca -0.16 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 3kyh n LYS 59 Cb 0.47 -0.41 0.00 0.00 -1.84 0.00 0.00 35.03 33.25 3kyh n LYS 59 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3kyh n LEU 60 N -1.16 0.00 -0.07 -0.35 -0.00 -0.25 -1.18 117.00 113.99 3kyh n LEU 60 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.94 3kyh n LEU 60 Cb 0.00 -0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 3kyh n LEU 60 CO 0.00 -0.00 -0.94 -0.11 -0.00 0.00 0.00 177.39 176.34 3kyh n LEU 61 N -0.93 0.34 -1.34 -1.96 7.94 0.79 -4.77 117.00 117.07 3kyh n LEU 61 Ca 0.00 -0.01 -0.05 0.00 -1.11 0.00 0.00 56.01 54.84 3kyh n LEU 61 Cb 0.00 0.22 0.22 0.00 0.53 0.00 0.00 43.42 44.39 3kyh n LEU 61 CO 0.00 0.37 0.81 0.00 -1.11 0.00 0.00 177.39 177.47 3kyh n ALA 62 N -2.54 4.28 -3.00 1.96 0.00 -0.32 -4.91 120.51 115.97 3kyh n ALA 62 Ca -0.22 -2.88 0.00 0.00 0.00 0.00 0.00 53.44 50.34 3kyh n ALA 62 Cb 0.91 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3kyh n ALA 62 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kyh n HIS 63 N -0.94 0.00 -4.51 0.00 8.25 -1.21 -5.03 115.22 111.78 3kyh n HIS 63 Ca 0.36 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.60 3kyh n HIS 63 Cb 1.14 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 32.10 3kyh n HIS 63 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kyh s ASP 64 N 1.63 1.64 0.19 0.41 1.01 -1.26 -4.98 116.67 115.31 3kyh s ASP 64 Ca 0.00 -0.33 0.08 0.00 0.71 0.00 0.00 52.55 53.00 3kyh s ASP 64 Cb 0.00 -0.15 -0.05 0.00 1.01 0.00 0.00 42.92 43.74 3kyh s ASP 64 CO 0.00 0.11 -0.15 -0.31 0.21 0.00 0.00 175.17 175.03 3kyh s TYR 65 N -0.54 1.72 0.06 4.23 1.51 -1.26 -2.07 117.35 121.00 3kyh s TYR 65 Ca 0.04 -0.55 0.08 0.00 -1.01 0.00 0.00 57.07 55.64 3kyh s TYR 65 Cb -0.06 -0.82 -0.03 0.00 -0.11 0.00 0.00 41.96 40.94 3kyh s TYR 65 CO 0.00 0.34 -0.23 0.71 -1.11 0.00 0.00 175.55 175.26 3kyh s TYR 66 N -2.71 2.02 -0.13 2.71 4.12 0.82 -1.00 117.35 123.17 3kyh s TYR 66 Ca 0.20 -0.39 -0.04 0.00 0.02 0.00 0.00 57.07 56.86 3kyh s TYR 66 Cb -0.02 -1.18 0.05 0.00 -1.52 0.00 0.00 41.96 39.29 3kyh s TYR 66 CO 0.07 0.14 0.07 0.14 0.02 0.00 0.00 175.55 175.99 3kyh s VAL 67 N -0.88 0.03 0.19 0.71 -7.23 0.41 -1.09 120.40 112.53 3kyh s VAL 67 Ca 0.09 -0.05 0.06 0.00 -1.81 0.00 0.00 61.98 60.27 3kyh s VAL 67 Cb -0.09 -0.53 -0.05 0.00 0.56 0.00 0.00 36.38 36.27 3kyh s VAL 67 CO 0.03 -0.11 -0.10 0.00 -0.31 0.00 0.00 175.10 174.60 3kyh s GLU 69 N -3.73 4.24 -0.34 0.00 4.04 -1.26 -0.17 118.70 121.47 3kyh s GLU 69 Ca 0.21 2.39 -0.30 0.00 0.04 0.00 0.00 54.97 57.31 3kyh s GLU 69 Cb 0.02 -3.02 -0.08 0.00 0.02 0.00 0.00 34.13 31.07 3kyh s GLU 69 CO 0.05 -0.36 2.28 1.17 -1.84 0.00 0.00 175.26 176.55 3kyh n LYS 70 N 0.68 1.44 -2.21 -4.83 4.81 -1.19 -4.78 118.16 112.09 3kyh n LYS 70 Ca 0.01 0.33 -0.42 0.00 -0.87 0.00 0.00 58.31 57.36 3kyh n LYS 70 Cb 0.40 -3.00 -0.03 0.00 0.02 0.00 0.00 35.03 32.43 3kyh n LYS 70 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3kyh s THR 71 N 8.91 3.67 -1.20 3.15 -4.23 -1.26 -2.18 115.64 122.50 3kyh s THR 71 Ca 1.04 1.06 -0.12 0.00 -1.18 0.00 0.00 61.69 62.49 3kyh s THR 71 Cb -0.48 -3.68 0.20 0.00 1.34 0.00 0.00 72.50 69.87 3kyh s THR 71 CO 0.38 0.00 1.43 -0.67 -0.54 0.00 0.00 174.62 175.22 3kyh n ASP 72 N 5.33 5.31 -2.74 3.99 -0.08 0.12 -4.87 116.55 123.60 3kyh n ASP 72 Ca 0.13 -3.02 -0.11 0.00 -1.51 0.00 0.00 54.79 50.28 3kyh n ASP 72 Cb 0.43 -1.52 -0.03 0.00 2.34 0.00 0.00 41.12 42.35 3kyh n ASP 72 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3kyh n GLY 73 N 3.60 3.90 3.47 0.27 0.00 -1.26 -4.57 105.19 110.60 3kyh n GLY 73 Ca 0.34 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 3kyh n GLY 73 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kyh s LEU 74 N 0.00 4.39 0.04 0.99 2.96 -0.85 -4.81 118.68 121.39 3kyh s LEU 74 Ca 0.03 -0.76 -0.30 0.00 -0.22 0.00 0.00 54.13 52.88 3kyh s LEU 74 Cb 0.00 -2.57 -0.08 0.00 0.50 0.00 0.00 46.19 44.04 3kyh s LEU 74 CO 0.02 -1.28 1.85 -0.60 -1.32 0.00 0.00 176.35 175.02 3kyh s ARG 75 N 3.78 4.16 -0.15 1.98 3.52 -1.26 -1.66 118.95 129.32 3kyh s ARG 75 Ca 0.24 2.49 -0.07 0.00 -0.13 0.00 0.00 55.73 58.26 3kyh s ARG 75 Cb -0.16 -3.97 0.06 0.00 -1.56 0.00 0.00 34.95 29.32 3kyh s ARG 75 CO 0.14 -0.89 0.34 0.08 -0.81 0.00 0.00 175.30 174.15 3kyh s VAL 76 N 3.89 -0.22 0.45 7.11 1.01 -1.26 -4.13 120.40 127.25 3kyh s VAL 76 Ca 0.82 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.90 3kyh s VAL 76 Cb -0.41 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 3kyh s VAL 76 CO 0.37 0.07 0.77 -0.76 0.00 0.00 0.00 175.10 175.55 3kyh s LEU 77 N 1.79 3.71 -0.23 3.92 1.02 -1.22 -3.64 118.68 124.03 3kyh s LEU 77 Ca -0.06 0.97 -0.09 0.00 0.02 0.00 0.00 54.13 54.97 3kyh s LEU 77 Cb -0.10 -3.90 -0.04 0.00 0.02 0.00 0.00 46.19 42.17 3kyh s LEU 77 CO -0.11 -0.51 0.12 -0.32 0.02 0.00 0.00 176.35 175.55 3kyh s MET 78 N -4.43 3.95 -0.23 1.70 -2.45 0.14 -2.23 119.30 115.74 3kyh s MET 78 Ca 0.48 -0.34 -0.01 0.00 -1.25 0.00 0.00 55.69 54.57 3kyh s MET 78 Cb -0.10 -3.42 0.02 0.00 1.25 0.00 0.00 34.83 32.58 3kyh s MET 78 CO 0.40 0.05 -0.09 0.12 1.05 0.00 0.00 175.02 176.55 3kyh s PHE 79 N 1.05 3.00 -0.21 4.11 5.36 -1.02 -2.42 117.98 127.86 3kyh s PHE 79 Ca 0.06 -1.50 0.01 0.00 -0.96 0.00 0.00 56.93 54.54 3kyh s PHE 79 Cb -0.14 -2.03 0.04 0.00 -0.34 0.00 0.00 43.02 40.55 3kyh s PHE 79 CO 0.04 -0.72 -0.11 0.96 -1.46 0.00 0.00 175.22 173.93 3kyh s ILE 80 N 1.33 1.77 -0.02 3.12 -5.25 -1.18 -2.01 121.20 118.96 3kyh s ILE 80 Ca 0.02 -1.12 0.01 0.00 -0.99 0.00 0.00 60.65 58.57 3kyh s ILE 80 Cb -0.16 -1.83 0.01 0.00 2.95 0.00 0.00 42.46 43.43 3kyh s ILE 80 CO -0.06 0.16 -0.02 0.68 -1.79 0.00 0.00 174.94 173.91 3kyh s VAL 81 N 1.33 0.26 0.41 8.37 -7.23 -1.17 -1.32 120.40 121.04 3kyh s VAL 81 Ca -0.02 -0.04 -0.23 0.00 -1.81 0.00 0.00 61.98 59.87 3kyh s VAL 81 Cb -0.17 -0.28 -0.09 0.00 0.56 0.00 0.00 36.38 36.40 3kyh s VAL 81 CO -0.08 0.12 1.02 -0.63 -0.31 0.00 0.00 175.10 175.22 3kyh s ILE 82 N 0.49 3.89 -0.45 -0.62 1.01 -1.24 -0.10 121.20 124.18 3kyh s ILE 82 Ca -0.05 1.37 -0.10 0.00 0.00 0.00 0.00 60.65 61.87 3kyh s ILE 82 Cb -0.08 -3.66 0.10 0.00 0.01 0.00 0.00 42.46 38.83 3kyh s ILE 82 CO -0.01 -0.07 0.32 0.54 0.00 0.00 0.00 174.94 175.72 3kyh s ASN 83 N -1.74 5.72 0.00 3.58 4.22 0.14 -4.82 114.94 122.04 3kyh s ASN 83 Ca 0.59 -1.71 0.00 0.00 -2.14 0.00 0.00 52.86 49.60 3kyh s ASN 83 Cb -0.19 -2.02 0.00 0.00 1.28 0.00 0.00 41.25 40.32 3kyh s ASN 83 CO 0.23 -0.64 0.31 -0.81 -2.04 0.00 0.00 177.10 174.16 3kyh n PRO 84 N 4.94 0.55 -0.05 3.55 -0.05 -1.26 0.34 135.00 143.03 3kyh n PRO 84 Ca -0.09 0.00 -0.14 0.00 -0.05 0.00 0.00 63.50 63.22 3kyh n PRO 84 Cb 0.42 -1.27 -0.08 0.00 -0.05 0.00 0.00 33.50 32.52 3kyh n PRO 84 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 175.50 175.73 3kyh h VAL 85 N 0.07 1.37 0.00 0.52 2.07 -1.98 -3.45 116.25 114.85 3kyh h VAL 85 Ca 0.00 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.09 3kyh h VAL 85 Cb 0.31 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 3kyh h VAL 85 CO 0.00 0.42 0.00 0.35 0.02 0.00 0.00 177.57 178.36 3kyh n THR 86 N -4.52 0.00 -1.62 2.57 -2.24 -0.04 -5.13 114.28 103.30 3kyh n THR 86 Ca -0.07 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3kyh n THR 86 Cb 0.40 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 3kyh n THR 86 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kyh n GLY 87 N 0.00 -2.66 3.57 3.38 0.00 1.06 -5.00 105.19 105.53 3kyh n GLY 87 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 3kyh n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kyh s GLU 88 N -0.29 0.77 -0.18 1.61 2.56 -1.26 -4.81 118.70 117.10 3kyh s GLU 88 Ca 0.00 0.32 -0.29 0.00 0.00 0.00 0.00 54.97 55.00 3kyh s GLU 88 Cb -0.00 0.36 -0.03 0.00 2.00 0.00 0.00 34.13 36.47 3kyh s GLU 88 CO 0.07 -0.21 1.49 -1.14 -0.56 0.00 0.00 175.26 174.91 3kyh s GLN 89 N -0.82 4.02 0.07 4.30 0.74 -1.25 0.26 119.66 126.96 3kyh s GLN 89 Ca -0.04 1.73 0.01 0.00 0.05 0.00 0.00 55.36 57.11 3kyh s GLN 89 Cb -0.01 -3.93 -0.04 0.00 1.10 0.00 0.00 33.01 30.12 3kyh s GLN 89 CO 0.03 -1.01 0.14 0.20 -0.55 0.00 0.00 175.29 174.10 3kyh s GLY 90 N 3.24 2.11 0.02 2.59 0.00 0.86 -4.93 107.32 111.21 3kyh s GLY 90 Ca 0.65 -0.92 -0.08 0.00 0.00 0.00 0.00 44.72 44.37 3kyh s GLY 90 CO 0.25 -0.90 0.31 0.00 0.00 0.00 0.00 173.10 172.76 3kyh s PHE 92 N -1.30 -0.10 -0.22 0.00 0.40 -0.85 -3.11 117.98 112.80 3kyh s PHE 92 Ca 0.28 0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.88 3kyh s PHE 92 Cb -0.14 0.03 0.04 0.00 0.51 0.00 0.00 43.02 43.46 3kyh s PHE 92 CO 0.16 -0.10 -0.14 -1.64 0.70 0.00 0.00 175.22 174.20 3kyh s MET 93 N -0.17 2.47 -0.87 0.44 -1.94 0.24 -2.43 119.30 117.05 3kyh s MET 93 Ca -0.02 -1.03 -0.02 0.00 -1.71 0.00 0.00 55.69 52.90 3kyh s MET 93 Cb -0.02 -2.65 0.21 0.00 2.01 0.00 0.00 34.83 34.38 3kyh s MET 93 CO 0.00 -0.40 0.75 0.96 -0.01 0.00 0.00 175.02 176.32 3kyh s ILE 94 N 1.24 4.36 0.00 2.53 -5.25 -0.95 -0.27 121.20 122.86 3kyh s ILE 94 Ca -0.02 -3.72 0.00 0.00 -0.99 0.00 0.00 60.65 55.92 3kyh s ILE 94 Cb -0.16 -3.71 0.00 0.00 2.95 0.00 0.00 42.46 41.53 3kyh s ILE 94 CO -0.09 -1.06 0.00 -0.90 -1.79 0.00 0.00 174.94 171.10 3kyh n ASP 95 N 2.52 -0.12 -0.11 4.36 3.85 -1.11 -3.37 116.55 122.57 3kyh n ASP 95 Ca 0.20 -0.10 -0.13 0.00 -0.71 0.00 0.00 54.79 54.04 3kyh n ASP 95 Cb 0.37 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.13 3kyh n ASP 95 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 3kyh h ARG 96 N 0.00 0.92 -6.61 0.11 9.65 -1.92 -3.38 114.38 113.15 3kyh h ARG 96 Ca 0.00 -0.49 -0.50 0.00 -1.10 0.00 0.00 59.98 57.90 3kyh h ARG 96 Cb 0.00 0.02 0.01 0.00 -1.39 0.00 0.00 29.97 28.61 3kyh h ARG 96 CO 0.00 1.14 -0.09 -2.00 2.80 0.00 0.00 179.97 181.82 3kyh s GLU 97 N -4.38 3.56 -1.12 0.20 2.56 -1.26 -4.88 118.70 113.38 3kyh s GLU 97 Ca -0.11 -0.06 -0.22 0.00 0.00 0.00 0.00 54.97 54.58 3kyh s GLU 97 Cb 0.11 -2.58 -0.09 0.00 2.00 0.00 0.00 34.13 33.57 3kyh s GLU 97 CO 0.88 0.09 1.92 0.09 -0.56 0.00 0.00 175.26 177.68 3kyh n ASN 98 N -1.55 3.07 -4.38 -1.70 5.03 -1.26 -4.89 115.26 109.58 3kyh n ASN 98 Ca -0.02 -2.71 -0.26 0.00 0.87 0.00 0.00 54.58 52.46 3kyh n ASN 98 Cb 0.55 -1.63 -0.12 0.00 -1.02 0.00 0.00 39.78 37.56 3kyh n ASN 98 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3kyh s ASN 99 N 6.11 3.18 -0.23 6.41 0.01 -1.26 -5.01 114.94 124.15 3kyh s ASN 99 Ca 0.66 -0.81 0.01 0.00 -0.71 0.00 0.00 52.86 52.00 3kyh s ASN 99 Cb 0.02 -0.22 0.06 0.00 0.41 0.00 0.00 41.25 41.52 3kyh s ASN 99 CO 0.13 0.10 -0.06 -0.31 -1.51 0.00 0.00 177.10 175.46 3kyh s TYR 100 N -1.51 2.36 0.36 2.20 1.51 -1.25 -2.73 117.35 118.30 3kyh s TYR 100 Ca 0.16 -1.70 0.04 0.00 -1.01 0.00 0.00 57.07 54.56 3kyh s TYR 100 Cb -0.08 -1.57 -0.01 0.00 -0.11 0.00 0.00 41.96 40.18 3kyh s TYR 100 CO 0.08 -0.76 0.53 0.71 -1.11 0.00 0.00 175.55 175.00 3kyh s TYR 101 N 1.41 3.22 -0.29 2.71 1.51 0.63 -3.80 117.35 122.74 3kyh s TYR 101 Ca -0.05 0.01 -0.03 0.00 -1.01 0.00 0.00 57.07 55.99 3kyh s TYR 101 Cb -0.18 -2.05 0.10 0.00 -0.11 0.00 0.00 41.96 39.72 3kyh s TYR 101 CO -0.06 -0.07 0.11 -1.17 -1.11 0.00 0.00 175.55 173.25 3kyh s LEU 102 N -4.30 1.14 0.49 -1.29 0.20 0.59 -0.59 118.68 114.93 3kyh s LEU 102 Ca 0.44 -1.35 -0.05 0.00 0.69 0.00 0.00 54.13 53.86 3kyh s LEU 102 Cb -0.10 -0.53 -0.03 0.00 -0.43 0.00 0.00 46.19 45.10 3kyh s LEU 102 CO 0.34 -0.42 0.79 -0.69 -0.29 0.00 0.00 176.35 176.08 3kyh s VAL 103 N 1.92 4.68 0.00 1.68 1.01 -1.18 -4.44 120.40 124.07 3kyh s VAL 103 Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3kyh s VAL 103 Cb -0.16 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3kyh s VAL 103 CO -0.30 -0.76 0.00 0.59 0.00 0.00 0.00 175.10 174.63 3kyh n ASN 104 N -2.29 0.00 -4.66 3.32 5.03 -1.26 -4.00 115.26 111.40 3kyh n ASN 104 Ca 0.01 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.04 3kyh n ASN 104 Cb 0.56 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.28 3kyh n ASN 104 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3kyh s GLY 105 N 0.00 1.97 -0.01 7.41 0.00 0.44 -4.64 107.32 112.48 3kyh s GLY 105 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 44.72 44.77 3kyh s GLY 105 CO 0.00 1.79 -0.05 -1.36 0.00 0.00 0.00 173.10 173.48 3kyh s PHE 106 N 2.47 0.55 -1.14 1.90 0.08 -1.26 -4.00 117.98 116.58 3kyh s PHE 106 Ca 0.39 -0.11 0.12 0.00 0.12 0.00 0.00 56.93 57.45 3kyh s PHE 106 Cb -0.16 -0.40 0.51 0.00 -0.57 0.00 0.00 43.02 42.40 3kyh s PHE 106 CO 0.10 -0.05 1.36 0.54 -0.10 0.00 0.00 175.22 177.08 3kyh n ARG 107 N 3.20 3.03 -1.26 0.44 3.00 -1.26 -5.03 116.66 118.79 3kyh n ARG 107 Ca -0.16 -2.02 -0.59 0.00 -0.01 0.00 0.00 57.85 55.07 3kyh n ARG 107 Cb 0.56 -1.76 -0.12 0.00 0.00 0.00 0.00 32.46 31.15 3kyh n ARG 107 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3kyh n PHE 108 N 0.67 1.15 0.00 -1.55 0.99 -1.26 -4.84 117.46 112.62 3kyh n PHE 108 Ca 0.18 0.75 0.00 0.00 -0.00 0.00 0.00 57.45 58.38 3kyh n PHE 108 Cb 0.70 -2.30 0.00 0.00 -1.00 0.00 0.00 39.48 36.88 3kyh n PHE 108 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3kyh n PRO 109 N 7.54 1.02 0.00 -1.08 -0.04 -1.26 0.08 135.00 141.25 3kyh n PRO 109 Ca 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 3kyh n PRO 109 Cb -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.43 3kyh n PRO 109 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kyh n ARG 110 N 0.00 0.04 -2.65 0.54 3.00 -1.26 -4.34 116.66 111.98 3kyh n ARG 110 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 57.81 3kyh n ARG 110 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.51 3kyh n ARG 110 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3kyh n LEU 111 N 0.00 -1.07 0.20 0.55 0.00 -1.26 -4.63 117.00 110.79 3kyh n LEU 111 Ca 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 56.01 55.32 3kyh n LEU 111 Cb 0.00 0.51 0.40 0.00 0.00 0.00 0.00 43.42 44.33 3kyh n LEU 111 CO 0.00 1.10 0.76 1.55 0.00 0.00 0.00 177.39 180.81 3kyh h PRO 112 N 3.87 0.00 0.00 1.96 0.13 -2.00 -3.44 132.00 132.53 3kyh h PRO 112 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3kyh h PRO 112 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3kyh h PRO 112 CO -0.16 0.33 0.00 1.04 -0.23 0.00 0.00 178.00 178.98 3kyh n GLN 113 N -4.07 0.00 0.13 0.86 1.13 -1.26 -5.15 117.38 109.03 3kyh n GLN 113 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3kyh n GLN 113 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.73 3kyh n GLN 113 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3kyh n LYS 114 N 0.00 0.00 -0.59 -1.09 3.00 -1.26 -5.06 118.16 113.17 3kyh n LYS 114 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.04 3kyh n LYS 114 Cb 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 35.03 34.93 3kyh n LYS 114 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3kyh n LYS 115 N -3.43 0.00 -0.16 1.64 2.85 -1.26 -4.62 118.16 113.17 3kyh n LYS 115 Ca 0.00 0.00 0.25 0.00 -1.05 0.00 0.00 58.31 57.51 3kyh n LYS 115 Cb 0.00 -0.69 0.41 0.00 -0.65 0.00 0.00 35.03 34.10 3kyh n LYS 115 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 3kyh h LYS 116 N 4.25 0.00 -0.14 -1.58 1.79 -2.04 0.51 116.57 119.35 3kyh h LYS 116 Ca -0.04 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.33 3kyh h LYS 116 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 3kyh h LYS 116 CO 0.51 0.00 -0.30 0.93 -1.08 0.00 0.00 179.45 179.51 3kyh h GLU 117 N 0.00 0.46 0.00 3.15 3.07 -2.00 -3.39 114.58 115.87 3kyh h GLU 117 Ca 0.44 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3kyh h GLU 117 Cb 2.80 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 30.75 3kyh h GLU 117 CO -0.00 0.90 0.00 -1.91 -1.40 0.00 0.00 179.01 176.60 3kyh n GLU 118 N -4.39 0.00 -0.14 2.33 4.07 0.18 -0.84 120.64 121.84 3kyh n GLU 118 Ca -0.07 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 56.96 3kyh n GLU 118 Cb 0.47 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.86 3kyh n GLU 118 CO 0.00 0.00 0.00 1.37 -0.06 0.00 0.00 177.13 178.44 3kyh h LEU 119 N 0.00 0.51 -1.45 4.31 8.10 -1.77 -3.11 115.31 121.90 3kyh h LEU 119 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 57.88 57.97 3kyh h LEU 119 Cb 0.00 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 40.09 3kyh h LEU 119 CO 0.00 0.38 0.48 -0.07 -4.11 0.00 0.00 178.44 175.12 3kyh h LEU 120 N 0.59 0.00 0.00 0.17 3.38 -1.32 0.29 115.31 118.42 3kyh h LEU 120 Ca 0.16 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.90 3kyh h LEU 120 Cb -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3kyh h LEU 120 CO -0.03 0.00 -1.85 1.21 0.09 0.00 0.00 178.44 177.86 3kyh n GLU 121 N -2.72 1.65 -0.84 1.13 4.07 -1.23 -5.06 120.64 117.64 3kyh n GLU 121 Ca -0.01 0.02 -0.29 0.00 -0.06 0.00 0.00 57.16 56.81 3kyh n GLU 121 Cb 0.51 -1.31 0.23 0.00 -0.06 0.00 0.00 31.44 30.81 3kyh n GLU 121 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3kyh s THR 122 N -2.30 1.86 -0.25 6.31 -4.23 0.10 -5.07 115.64 112.06 3kyh s THR 122 Ca -0.09 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.16 3kyh s THR 122 Cb 0.04 -2.29 0.09 0.00 1.34 0.00 0.00 72.50 71.68 3kyh s THR 122 CO 0.47 0.00 0.85 -0.22 -0.54 0.00 0.00 174.62 175.18 3kyh s LEU 123 N -6.98 -0.61 -0.09 4.79 1.98 -1.26 -4.60 118.68 111.92 3kyh s LEU 123 Ca 0.68 1.11 -0.19 0.00 -2.89 0.00 0.00 54.13 52.83 3kyh s LEU 123 Cb -0.19 2.22 -0.04 0.00 0.66 0.00 0.00 46.19 48.84 3kyh s LEU 123 CO 0.60 -0.25 0.54 -1.58 -1.89 0.00 0.00 176.35 173.77 3kyh s GLN 124 N 0.10 4.34 -0.07 1.98 2.00 0.11 -4.64 119.66 123.49 3kyh s GLN 124 Ca 0.00 0.57 -0.01 0.00 -2.00 0.00 0.00 55.36 53.93 3kyh s GLN 124 Cb -0.04 -3.42 0.03 0.00 0.80 0.00 0.00 33.01 30.37 3kyh s GLN 124 CO -0.01 0.18 -0.02 0.34 -0.50 0.00 0.00 175.29 175.28 3kyh s ASP 125 N 0.50 1.49 -1.22 6.67 -1.08 -1.26 -4.35 116.67 117.42 3kyh s ASP 125 Ca 0.29 -0.12 -0.02 0.00 -0.52 0.00 0.00 52.55 52.18 3kyh s ASP 125 Cb -0.16 -0.49 0.00 0.00 -1.46 0.00 0.00 42.92 40.81 3kyh s ASP 125 CO 0.13 -0.15 1.03 0.61 0.52 0.00 0.00 175.17 177.30 3kyh n GLY 126 N 4.84 -0.39 3.77 2.66 0.00 -0.44 -1.70 105.19 113.94 3kyh n GLY 126 Ca -0.12 0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3kyh n GLY 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kyh s THR 127 N -3.35 5.32 -0.31 2.61 2.01 -1.20 -0.47 115.64 120.26 3kyh s THR 127 Ca 0.12 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.29 3kyh s THR 127 Cb -0.06 -3.38 0.08 0.00 0.01 0.00 0.00 72.50 69.15 3kyh s THR 127 CO 0.72 0.51 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.94 3kyh s LEU 128 N -0.18 4.16 0.13 4.42 2.96 0.56 -3.13 118.68 127.60 3kyh s LEU 128 Ca 0.10 -1.69 0.05 0.00 -0.22 0.00 0.00 54.13 52.38 3kyh s LEU 128 Cb -0.12 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3kyh s LEU 128 CO 0.01 -0.30 0.03 -1.48 -1.32 0.00 0.00 176.35 173.28 3kyh s LEU 129 N 1.07 3.51 -0.23 -0.68 2.34 -1.01 -1.00 118.68 122.68 3kyh s LEU 129 Ca 0.00 -0.22 -0.03 0.00 0.06 0.00 0.00 54.13 53.94 3kyh s LEU 129 Cb -0.20 -2.19 0.00 0.00 -0.56 0.00 0.00 46.19 43.24 3kyh s LEU 129 CO -0.05 0.13 -0.05 -0.62 -1.06 0.00 0.00 176.35 174.69 3kyh s ASP 130 N -2.65 4.24 0.02 1.48 2.15 0.41 0.25 116.67 122.56 3kyh s ASP 130 Ca 0.27 -0.54 0.00 0.00 0.43 0.00 0.00 52.55 52.71 3kyh s ASP 130 Cb -0.11 -1.71 0.00 0.00 -0.30 0.00 0.00 42.92 40.81 3kyh s ASP 130 CO 0.20 -0.05 0.00 0.61 -0.17 0.00 0.00 175.17 175.75 3kyh n GLY 131 N 4.76 4.09 3.27 2.66 0.00 -1.24 -0.32 105.19 118.41 3kyh n GLY 131 Ca -0.18 -2.21 -0.11 0.00 0.00 0.00 0.00 46.02 43.52 3kyh n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kyh s GLU 132 N -2.07 0.41 -0.50 1.61 -6.30 0.28 -4.09 118.70 108.05 3kyh s GLU 132 Ca 0.00 0.73 -0.20 0.00 -2.50 0.00 0.00 54.97 53.00 3kyh s GLU 132 Cb -0.00 0.03 0.05 0.00 0.00 0.00 0.00 34.13 34.21 3kyh s GLU 132 CO 0.00 -0.14 0.66 -1.17 0.02 0.00 0.00 175.26 174.64 3kyh s LEU 133 N 1.12 4.75 0.22 2.70 2.96 -0.67 -1.96 118.68 127.81 3kyh s LEU 133 Ca -0.07 -0.72 0.06 0.00 -0.22 0.00 0.00 54.13 53.18 3kyh s LEU 133 Cb -0.07 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 3kyh s LEU 133 CO -0.10 -0.90 0.24 0.68 -1.32 0.00 0.00 176.35 174.95 3kyh s VAL 134 N 2.83 4.77 -0.13 1.68 -7.23 -0.88 -2.02 120.40 119.42 3kyh s VAL 134 Ca 0.18 -1.16 -0.15 0.00 -1.81 0.00 0.00 61.98 59.05 3kyh s VAL 134 Cb -0.17 -3.55 -0.05 0.00 0.56 0.00 0.00 36.38 33.17 3kyh s VAL 134 CO 0.14 -0.28 0.34 -0.63 -0.31 0.00 0.00 175.10 174.36 3kyh s ILE 135 N -1.99 5.26 -0.07 -0.62 1.09 -1.26 -1.03 121.20 122.58 3kyh s ILE 135 Ca 0.33 0.65 0.02 0.00 -1.10 0.00 0.00 60.65 60.56 3kyh s ILE 135 Cb -0.09 -3.67 0.01 0.00 -1.06 0.00 0.00 42.46 37.65 3kyh s ILE 135 CO 0.26 0.40 -0.13 -1.10 -0.10 0.00 0.00 174.94 174.28 3kyh s GLN 136 N 0.29 1.78 -0.36 2.79 -1.52 0.58 -4.69 119.66 118.53 3kyh s GLN 136 Ca 0.19 -0.44 -0.11 0.00 -1.95 0.00 0.00 55.36 53.06 3kyh s GLN 136 Cb -0.14 -1.47 0.02 0.00 -0.22 0.00 0.00 33.01 31.20 3kyh s GLN 136 CO 0.06 0.02 0.20 0.99 -0.25 0.00 0.00 175.29 176.31 3kyh s THR 137 N 0.70 4.59 -0.54 -0.19 2.01 -1.19 -1.73 115.64 119.28 3kyh s THR 137 Ca -0.14 -0.79 -0.25 0.00 0.31 0.00 0.00 61.69 60.82 3kyh s THR 137 Cb -0.16 -3.53 0.04 0.00 0.01 0.00 0.00 72.50 68.86 3kyh s THR 137 CO 0.03 -0.19 1.00 0.21 -0.69 0.00 0.00 174.62 174.99 3kyh s ASN 138 N 1.56 6.39 0.54 3.53 3.84 -1.15 -4.81 114.94 124.85 3kyh s ASN 138 Ca 0.02 -0.16 0.27 0.00 0.21 0.00 0.00 52.86 53.21 3kyh s ASN 138 Cb -0.19 -2.47 1.43 0.00 -0.55 0.00 0.00 41.25 39.48 3kyh s ASN 138 CO 0.07 -1.27 1.97 1.55 -2.79 0.00 0.00 177.10 176.63 3kyh h PRO 139 N 9.34 0.00 0.00 0.43 0.13 -1.92 0.80 132.00 140.77 3kyh h PRO 139 Ca -0.25 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.72 3kyh h PRO 139 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 3kyh h PRO 139 CO 1.10 0.00 -0.85 1.98 -0.23 0.00 0.00 178.00 180.01 3kyh h MET 140 N 0.00 0.00 0.00 0.86 4.05 -2.00 -3.41 114.93 114.44 3kyh h MET 140 Ca 0.29 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.71 3kyh h MET 140 Cb 1.18 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 3kyh h MET 140 CO -0.00 0.59 -0.50 2.41 0.23 0.00 0.00 176.91 179.64 3kyh n THR 141 N -3.19 0.00 0.00 -0.77 -1.04 -0.69 -5.07 114.28 103.53 3kyh n THR 141 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3kyh n THR 141 Cb 0.82 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 3kyh n THR 141 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3kyh n LYS 142 N -1.13 0.00 -1.62 -2.82 4.76 0.27 -5.01 118.16 112.62 3kyh n LYS 142 Ca 0.00 0.00 -0.45 0.00 -2.87 0.00 0.00 58.31 54.99 3kyh n LYS 142 Cb 0.19 -0.64 -0.02 0.00 -1.84 0.00 0.00 35.03 32.72 3kyh n LYS 142 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3kyh n LEU 143 N 0.00 2.30 -4.89 -0.35 4.77 -1.26 -4.15 117.00 113.41 3kyh n LEU 143 Ca 0.00 1.17 -0.34 0.00 -0.03 0.00 0.00 56.01 56.81 3kyh n LEU 143 Cb 0.00 -1.33 -0.05 0.00 -2.33 0.00 0.00 43.42 39.71 3kyh n LEU 143 CO 0.00 -1.04 -0.06 -1.10 -1.33 0.00 0.00 177.39 173.86 3kyh s GLN 144 N -1.12 3.56 0.13 3.23 -1.52 -1.26 -2.95 119.66 119.73 3kyh s GLN 144 Ca 0.63 -0.13 0.06 0.00 -1.95 0.00 0.00 55.36 53.96 3kyh s GLN 144 Cb -0.70 -3.03 -0.04 0.00 -0.22 0.00 0.00 33.01 29.02 3kyh s GLN 144 CO 0.57 0.61 -0.14 -1.21 -0.25 0.00 0.00 175.29 174.87 3kyh s GLU 145 N -2.02 1.03 0.56 2.91 2.02 -0.70 -4.99 118.70 117.51 3kyh s GLU 145 Ca 0.31 -1.26 -0.10 0.00 0.02 0.00 0.00 54.97 53.94 3kyh s GLU 145 Cb -0.13 -0.88 -0.05 0.00 0.10 0.00 0.00 34.13 33.17 3kyh s GLU 145 CO 0.19 0.17 0.95 -1.17 0.02 0.00 0.00 175.26 175.42 3kyh s LEU 146 N -2.52 3.41 0.19 1.80 1.98 -1.26 -0.30 118.68 121.98 3kyh s LEU 146 Ca 0.10 1.31 -0.19 0.00 -2.89 0.00 0.00 54.13 52.45 3kyh s LEU 146 Cb -0.04 -4.31 0.04 0.00 0.66 0.00 0.00 46.19 42.54 3kyh s LEU 146 CO 0.03 -0.73 0.57 -0.60 -1.89 0.00 0.00 176.35 173.72 3kyh s ARG 147 N -4.84 1.40 -0.14 1.98 3.52 -0.20 -3.98 118.95 116.69 3kyh s ARG 147 Ca 0.53 -0.77 -0.03 0.00 -0.13 0.00 0.00 55.73 55.33 3kyh s ARG 147 Cb -0.11 0.55 0.05 0.00 -1.56 0.00 0.00 34.95 33.88 3kyh s ARG 147 CO 0.47 -0.60 0.06 -0.47 -0.81 0.00 0.00 175.30 173.95 3kyh s TYR 148 N -3.84 0.47 -0.24 5.12 5.04 0.37 -2.07 117.35 122.19 3kyh s TYR 148 Ca 0.07 -0.33 -0.03 0.00 -2.44 0.00 0.00 57.07 54.34 3kyh s TYR 148 Cb -0.02 -0.76 0.02 0.00 0.35 0.00 0.00 41.96 41.55 3kyh s TYR 148 CO -0.05 -0.45 -0.05 -0.51 -1.34 0.00 0.00 175.55 173.15 3kyh s LEU 149 N 2.04 3.15 -0.14 6.97 1.43 -0.83 0.30 118.68 131.60 3kyh s LEU 149 Ca 0.02 -0.73 -0.06 0.00 -1.03 0.00 0.00 54.13 52.33 3kyh s LEU 149 Cb -0.15 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 3kyh s LEU 149 CO -0.07 -0.11 0.07 -0.04 0.23 0.00 0.00 176.35 176.43 3kyh s MET 150 N 1.38 3.62 -0.00 1.70 -1.94 -0.20 -0.55 119.30 123.30 3kyh s MET 150 Ca 0.02 -0.30 0.04 0.00 -1.71 0.00 0.00 55.69 53.74 3kyh s MET 150 Cb -0.16 -3.11 -0.05 0.00 2.01 0.00 0.00 34.83 33.51 3kyh s MET 150 CO -0.04 0.50 0.17 1.97 -0.01 0.00 0.00 175.02 177.61 3kyh n PHE 151 N 2.82 0.00 -3.56 -0.03 -1.74 0.57 0.20 117.46 115.70 3kyh n PHE 151 Ca -0.18 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.61 3kyh n PHE 151 Cb 0.53 -0.02 -0.02 0.00 1.52 0.00 0.00 39.48 41.49 3kyh n PHE 151 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 3kyh s ASP 152 N -1.65 -0.45 0.01 5.98 2.15 -0.91 -4.98 116.67 116.82 3kyh s ASP 152 Ca 0.01 -0.21 0.01 0.00 0.43 0.00 0.00 52.55 52.79 3kyh s ASP 152 Cb 0.03 0.62 -0.01 0.00 -0.30 0.00 0.00 42.92 43.27 3kyh s ASP 152 CO 0.18 -1.06 -0.03 0.00 -0.17 0.00 0.00 175.17 174.09 3kyh n LEU 154 N 2.47 1.26 -3.65 0.00 -0.00 -0.17 -4.72 117.00 112.20 3kyh n LEU 154 Ca -0.17 -1.71 -0.01 0.00 -0.00 0.00 0.00 56.01 54.12 3kyh n LEU 154 Cb 0.58 -0.13 -0.06 0.00 -0.00 0.00 0.00 43.42 43.80 3kyh n LEU 154 CO 0.24 0.41 0.90 0.00 -0.00 0.00 0.00 177.39 178.94 3kyh s ALA 155 N -1.15 -2.40 -0.08 1.47 0.00 -0.99 -1.71 121.76 116.90 3kyh s ALA 155 Ca 0.10 1.99 0.02 0.00 0.00 0.00 0.00 51.96 54.06 3kyh s ALA 155 Cb 0.09 -1.81 0.02 0.00 0.00 0.00 0.00 23.12 21.41 3kyh s ALA 155 CO 0.01 -0.28 -0.11 -1.50 0.00 0.00 0.00 175.76 173.88 3kyh s ILE 156 N 0.87 1.14 -0.35 0.00 1.10 -0.22 -0.32 121.20 123.42 3kyh s ILE 156 Ca -0.05 -0.45 -0.03 0.00 -0.51 0.00 0.00 60.65 59.61 3kyh s ILE 156 Cb -0.03 -1.06 0.00 0.00 0.15 0.00 0.00 42.46 41.52 3kyh s ILE 156 CO -0.12 0.36 0.23 0.59 -2.11 0.00 0.00 174.94 173.90 3kyh n ASN 157 N 4.08 -1.74 0.00 4.50 3.02 -1.25 0.52 115.26 124.38 3kyh n ASN 157 Ca -0.20 -0.40 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 3kyh n ASN 157 Cb 0.51 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 3kyh n ASN 157 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kyh n GLY 158 N -1.04 2.67 3.74 7.41 0.00 0.38 -4.92 105.19 113.43 3kyh n GLY 158 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 3kyh n GLY 158 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kyh s ARG 159 N 0.00 4.77 -0.69 1.61 3.52 0.18 -4.92 118.95 123.42 3kyh s ARG 159 Ca 0.00 1.52 -0.20 0.00 -0.13 0.00 0.00 55.73 56.92 3kyh s ARG 159 Cb 0.00 -3.30 0.10 0.00 -1.56 0.00 0.00 34.95 30.18 3kyh s ARG 159 CO 0.00 0.36 0.90 0.00 -0.81 0.00 0.00 175.30 175.75 3kyh n LEU 161 N 6.87 5.13 0.04 0.00 4.77 -0.70 -4.40 117.00 128.72 3kyh n LEU 161 Ca 0.00 -2.66 -0.02 0.00 -0.03 0.00 0.00 56.01 53.31 3kyh n LEU 161 Cb 0.45 -0.76 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 3kyh n LEU 161 CO 0.58 0.87 0.20 0.74 -1.33 0.00 0.00 177.39 178.45 3kyh h THR 162 N 0.59 0.00 0.00 -5.08 2.02 -1.78 -3.37 112.91 105.29 3kyh h THR 162 Ca 0.28 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.33 3kyh h THR 162 Cb 1.60 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3kyh h THR 162 CO 0.55 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.44 3kyh n GLN 163 N -2.69 0.04 -2.30 6.66 3.00 -1.26 -3.36 117.38 117.47 3kyh n GLN 163 Ca -0.01 0.10 -0.35 0.00 -0.01 0.00 0.00 57.00 56.72 3kyh n GLN 163 Cb 0.05 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 28.78 3kyh n GLN 163 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 3kyh s SER 164 N -2.20 5.82 -0.06 1.08 1.04 -1.26 -4.84 113.70 113.28 3kyh s SER 164 Ca 0.02 2.13 -0.30 0.00 0.48 0.00 0.00 55.95 58.29 3kyh s SER 164 Cb 0.01 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 3kyh s SER 164 CO 0.02 -1.15 1.35 -2.84 0.98 0.00 0.00 173.24 171.60 3kyh s PRO 165 N -3.29 4.27 0.00 4.02 0.02 -1.26 -4.43 135.00 134.34 3kyh s PRO 165 Ca 0.72 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.59 3kyh s PRO 165 Cb -0.23 -3.66 0.00 0.00 0.02 0.00 0.00 34.50 30.63 3kyh s PRO 165 CO 0.26 -0.61 0.00 2.41 -0.33 0.00 0.00 177.00 178.73 3kyh n THR 166 N 4.92 0.00 0.00 0.99 -1.04 -0.72 0.07 114.28 118.50 3kyh n THR 166 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 3kyh n THR 166 Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 3kyh n THR 166 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3kyh n SER 167 N -3.26 0.00 -0.16 8.00 3.41 -1.17 -1.17 113.62 119.27 3kyh n SER 167 Ca 0.00 0.23 -0.07 0.00 -0.26 0.00 0.00 58.87 58.78 3kyh n SER 167 Cb 0.00 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 3kyh n SER 167 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kyh h SER 168 N 0.00 -1.15 -1.49 4.04 4.64 -0.72 0.27 113.55 119.15 3kyh h SER 168 Ca 0.00 0.21 0.46 0.00 -0.47 0.00 0.00 61.79 61.99 3kyh h SER 168 Cb 0.00 0.55 -0.10 0.00 -0.31 0.00 0.00 62.40 62.54 3kyh h SER 168 CO 0.00 -0.32 1.01 0.03 -0.87 0.00 0.00 176.83 176.69 3kyh h ARG 169 N -0.21 0.06 0.00 4.77 3.08 -1.05 0.47 114.38 121.49 3kyh h ARG 169 Ca 0.20 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 3kyh h ARG 169 Cb 0.55 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 3kyh h ARG 169 CO -0.61 0.04 -0.12 -0.07 -1.07 0.00 0.00 179.97 178.14 3kyh h LEU 170 N 0.06 0.00 -2.03 3.04 3.38 0.80 -2.74 115.31 117.82 3kyh h LEU 170 Ca 0.81 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3kyh h LEU 170 Cb 2.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 43.59 3kyh h LEU 170 CO -0.23 0.81 0.01 0.00 0.09 0.00 0.00 178.44 179.12 3kyh h ALA 171 N -0.50 1.98 0.00 1.53 0.00 -0.85 0.26 119.26 121.68 3kyh h ALA 171 Ca -0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3kyh h ALA 171 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3kyh h ALA 171 CO -0.01 -0.02 -0.29 0.45 0.00 0.00 0.00 179.25 179.38 3kyh h HIS 172 N 0.00 0.00 0.00 0.00 3.86 -0.23 0.26 115.15 119.04 3kyh h HIS 172 Ca 0.01 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.11 3kyh h HIS 172 Cb 0.03 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 3kyh h HIS 172 CO 0.00 0.29 -0.83 1.25 0.86 0.00 0.00 177.93 179.50 3kyh h LEU 173 N 0.00 0.00 0.21 2.43 5.85 -0.77 -3.08 115.31 119.96 3kyh h LEU 173 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3kyh h LEU 173 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3kyh h LEU 173 CO 0.04 0.45 -0.10 1.23 -0.34 0.00 0.00 178.44 179.72 3kyh h GLY 174 N 3.65 -0.30 0.74 3.75 0.00 0.21 -2.44 103.07 108.68 3kyh h GLY 174 Ca -0.06 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 3kyh h GLY 174 CO 0.05 -0.11 0.00 0.50 0.00 0.00 0.00 176.54 176.98 3kyh h LYS 175 N -0.46 0.02 0.19 4.80 1.79 -0.68 -2.43 116.57 119.80 3kyh h LYS 175 Ca -0.03 -0.01 -0.31 0.00 -2.18 0.00 0.00 60.65 58.12 3kyh h LYS 175 Cb 0.22 -0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.88 3kyh h LYS 175 CO 0.05 0.28 -1.46 0.93 -1.08 0.00 0.00 179.45 178.17 3kyh h GLU 176 N -0.24 0.41 0.06 3.15 3.07 -1.75 -3.29 114.58 115.99 3kyh h GLU 176 Ca 0.00 -0.70 -0.36 0.00 -0.50 0.00 0.00 59.36 57.80 3kyh h GLU 176 Cb 0.27 0.26 -0.04 0.00 -0.84 0.00 0.00 28.75 28.40 3kyh h GLU 176 CO 0.00 1.34 -2.12 0.34 -1.40 0.00 0.00 179.01 177.17 3kyh n PHE 177 N -3.77 0.78 -0.02 4.33 7.35 -1.19 -4.52 117.46 120.43 3kyh n PHE 177 Ca -0.21 0.19 -0.17 0.00 -0.76 0.00 0.00 57.45 56.50 3kyh n PHE 177 Cb 1.02 -1.11 -0.14 0.00 0.35 0.00 0.00 39.48 39.60 3kyh n PHE 177 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 3kyh h PHE 178 N 0.04 0.26 -0.42 -5.13 3.57 -0.97 -3.34 116.94 110.94 3kyh h PHE 178 Ca -0.46 -0.19 0.04 0.00 3.53 0.00 0.00 57.97 60.90 3kyh h PHE 178 Cb 2.01 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 40.67 3kyh h PHE 178 CO 0.05 1.19 -0.43 -0.22 -2.23 0.00 0.00 178.31 176.67 3kyh h LYS 179 N -0.69 -0.22 -0.03 1.11 3.11 -1.55 -1.27 116.57 117.03 3kyh h LYS 179 Ca -0.10 0.02 0.01 0.00 -2.81 0.00 0.00 60.65 57.77 3kyh h LYS 179 Cb 1.34 0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 32.59 3kyh h LYS 179 CO 0.06 -0.15 -0.25 -1.00 -2.81 0.00 0.00 179.45 175.30 3kyh h PRO 180 N -0.23 -0.28 -0.38 1.90 0.13 -1.77 -2.52 132.00 128.84 3kyh h PRO 180 Ca 0.07 0.02 0.03 0.00 -0.87 0.00 0.00 66.00 65.26 3kyh h PRO 180 Cb 0.42 0.06 -0.05 0.00 0.13 0.00 0.00 31.00 31.57 3kyh h PRO 180 CO -0.52 -0.19 -0.23 0.98 -0.23 0.00 0.00 178.00 177.82 3kyh n TYR 181 N -3.89 -0.17 -0.14 1.56 9.36 -0.92 -1.54 117.16 121.43 3kyh n TYR 181 Ca -0.03 0.48 -0.08 0.00 3.32 0.00 0.00 57.90 61.59 3kyh n TYR 181 Cb 0.18 -0.47 0.01 0.00 -0.63 0.00 0.00 39.34 38.42 3kyh n TYR 181 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 3kyh h PHE 182 N 0.00 0.55 -0.02 2.98 3.57 -0.83 -2.96 116.94 120.24 3kyh h PHE 182 Ca 0.06 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.46 3kyh h PHE 182 Cb 0.16 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 38.72 3kyh h PHE 182 CO -0.76 0.37 -0.41 -0.44 -2.23 0.00 0.00 178.31 174.84 3kyh h ASP 183 N 0.58 0.39 0.00 0.41 3.45 -1.30 -1.85 116.42 118.09 3kyh h ASP 183 Ca 0.16 -0.74 0.00 0.00 0.43 0.00 0.00 57.03 56.88 3kyh h ASP 183 Cb -0.03 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.62 3kyh h ASP 183 CO -0.03 1.07 0.59 0.25 -1.57 0.00 0.00 179.24 179.55 3kyh h LEU 184 N -0.25 0.00 0.00 1.55 6.46 -1.12 0.76 115.31 122.71 3kyh h LEU 184 Ca -0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3kyh h LEU 184 Cb 1.12 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.05 3kyh h LEU 184 CO 0.08 0.00 -1.15 -1.14 -0.62 0.00 0.00 178.44 175.61 3kyh n ARG 185 N -2.18 1.31 0.00 1.25 0.63 -1.00 -3.30 116.66 113.37 3kyh n ARG 185 Ca -0.01 -0.06 -0.19 0.00 -0.92 0.00 0.00 57.85 56.68 3kyh n ARG 185 Cb 0.61 -1.14 -0.14 0.00 0.45 0.00 0.00 32.46 32.24 3kyh n ARG 185 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kyh h ALA 186 N 0.95 -0.01 -0.08 5.13 0.00 0.11 -3.37 119.26 122.00 3kyh h ALA 186 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3kyh h ALA 186 Cb 0.36 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kyh h ALA 186 CO 0.00 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.60 3kyh n ALA 187 N -2.74 2.49 -2.70 0.00 0.00 0.13 -4.49 120.51 113.20 3kyh n ALA 187 Ca -0.15 -0.65 -0.08 0.00 0.00 0.00 0.00 53.44 52.55 3kyh n ALA 187 Cb 0.73 -0.93 0.08 0.00 0.00 0.00 0.00 19.45 19.33 3kyh n ALA 187 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kyh n TYR 188 N 0.98 -1.00 0.52 0.00 4.02 -1.21 -5.02 117.16 115.45 3kyh n TYR 188 Ca 0.16 -2.32 0.00 0.00 -0.01 0.00 0.00 57.90 55.73 3kyh n TYR 188 Cb 0.52 0.78 0.02 0.00 -0.02 0.00 0.00 39.34 40.64 3kyh n TYR 188 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3kyh n PRO 189 N -0.32 0.26 0.00 -0.72 -0.04 -1.26 -1.34 135.00 131.58 3kyh n PRO 189 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 3kyh n PRO 189 Cb 0.83 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.24 3kyh n PRO 189 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kyh n ASN 190 N -0.55 3.52 -1.57 3.54 4.13 -1.26 -4.73 115.26 118.34 3kyh n ASN 190 Ca 0.01 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.26 3kyh n ASN 190 Cb 0.00 0.47 -0.01 0.00 -1.54 0.00 0.00 39.78 38.70 3kyh n ASN 190 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 3kyh n ARG 191 N -1.39 1.01 -2.93 3.52 3.00 -0.45 -4.07 116.66 115.35 3kyh n ARG 191 Ca 0.00 -0.07 0.04 0.00 -0.00 0.00 0.00 57.85 57.82 3kyh n ARG 191 Cb 0.24 -1.11 0.00 0.00 0.00 0.00 0.00 32.46 31.59 3kyh n ARG 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kyh n THR 193 N 4.33 0.01 0.00 0.00 -1.04 -1.26 -4.71 114.28 111.62 3kyh n THR 193 Ca 0.08 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3kyh n THR 193 Cb 0.61 0.34 0.00 0.00 -1.82 0.00 0.00 70.33 69.47 3kyh n THR 193 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3kyh n THR 194 N -1.59 0.00 -3.18 12.58 -2.24 -1.26 -4.71 114.28 113.88 3kyh n THR 194 Ca -0.00 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.32 3kyh n THR 194 Cb 0.08 -0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.13 3kyh n THR 194 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3kyh s PHE 195 N -1.23 3.71 0.17 4.78 2.99 -1.26 -0.42 117.98 126.73 3kyh s PHE 195 Ca 0.00 -2.07 -0.16 0.00 0.00 0.00 0.00 56.93 54.70 3kyh s PHE 195 Cb 0.00 -4.01 0.13 0.00 0.00 0.00 0.00 43.02 39.13 3kyh s PHE 195 CO 0.00 -1.16 1.67 -1.00 -0.00 0.00 0.00 175.22 174.73 3kyh h PRO 196 N 7.61 0.03 0.00 0.24 0.13 -1.84 -3.44 132.00 134.72 3kyh h PRO 196 Ca 0.17 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3kyh h PRO 196 Cb 0.96 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3kyh h PRO 196 CO 0.99 0.02 0.00 1.97 -0.23 0.00 0.00 178.00 180.74 3kyh n PHE 197 N -5.30 0.00 -4.50 1.56 1.16 -1.26 -5.03 117.46 104.09 3kyh n PHE 197 Ca 0.03 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.38 3kyh n PHE 197 Cb 0.24 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.00 3kyh n PHE 197 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 3kyh s LYS 198 N 1.33 1.71 -0.02 3.97 2.20 -1.26 -5.04 119.74 122.64 3kyh s LYS 198 Ca 0.00 -1.90 -0.00 0.00 -0.36 0.00 0.00 55.97 53.71 3kyh s LYS 198 Cb 0.00 -1.36 0.02 0.00 -1.51 0.00 0.00 37.83 34.99 3kyh s LYS 198 CO 0.00 0.02 0.03 0.42 -0.36 0.00 0.00 175.35 175.46 3kyh s ILE 199 N -2.88 -0.05 0.16 5.43 1.09 -1.26 -0.48 121.20 123.21 3kyh s ILE 199 Ca 0.32 0.17 -0.02 0.00 -1.10 0.00 0.00 60.65 60.02 3kyh s ILE 199 Cb 0.05 -0.07 -0.04 0.00 -1.06 0.00 0.00 42.46 41.34 3kyh s ILE 199 CO 0.15 0.07 0.10 -0.44 -0.10 0.00 0.00 174.94 174.72 3kyh s SER 200 N 0.83 0.24 0.19 3.58 0.01 0.15 -4.94 113.70 113.76 3kyh s SER 200 Ca -0.07 -1.23 -0.11 0.00 1.31 0.00 0.00 55.95 55.84 3kyh s SER 200 Cb -0.10 0.34 -0.07 0.00 0.21 0.00 0.00 66.02 66.40 3kyh s SER 200 CO -0.02 -0.78 0.54 -0.04 0.41 0.00 0.00 173.24 173.35 3kyh s MET 201 N -4.08 3.87 -0.06 12.44 -1.94 -1.26 -1.04 119.30 127.23 3kyh s MET 201 Ca 0.28 0.36 -0.30 0.00 -1.71 0.00 0.00 55.69 54.32 3kyh s MET 201 Cb 0.07 -2.77 -0.05 0.00 2.01 0.00 0.00 34.83 34.09 3kyh s MET 201 CO 0.05 0.39 1.50 0.21 -0.01 0.00 0.00 175.02 177.16 3kyh s LYS 202 N -2.43 4.22 -0.80 2.03 2.20 0.13 -4.72 119.74 120.36 3kyh s LYS 202 Ca 0.43 2.01 -0.26 0.00 -0.36 0.00 0.00 55.97 57.79 3kyh s LYS 202 Cb -0.13 -3.82 -0.12 0.00 -1.51 0.00 0.00 37.83 32.25 3kyh s LYS 202 CO 0.20 -0.74 2.35 -3.38 -0.36 0.00 0.00 175.35 173.41 3kyh s HIS 203 N 3.46 1.22 1.08 4.03 -3.43 -1.26 -4.93 115.29 115.47 3kyh s HIS 203 Ca 0.67 1.81 -0.16 0.00 -0.80 0.00 0.00 55.06 56.58 3kyh s HIS 203 Cb -0.30 -3.52 0.23 0.00 -1.43 0.00 0.00 32.58 27.56 3kyh s HIS 203 CO 0.25 -1.61 1.13 1.41 -2.00 0.00 0.00 174.74 173.92 3kyh s MET 204 N 8.63 -0.20 -0.29 -0.38 1.75 -1.26 -4.76 119.30 122.79 3kyh s MET 204 Ca 0.90 0.13 -0.22 0.00 -1.25 0.00 0.00 55.69 55.25 3kyh s MET 204 Cb -0.12 -1.70 0.16 0.00 2.84 0.00 0.00 34.83 36.01 3kyh s MET 204 CO 0.07 -3.07 1.15 -0.51 -0.65 0.00 0.00 175.02 172.01 3kyh s ASP 205 N -3.87 -0.32 0.78 1.11 1.01 -1.21 -4.97 116.67 109.20 3kyh s ASP 205 Ca 0.68 0.57 -0.14 0.00 0.71 0.00 0.00 52.55 54.38 3kyh s ASP 205 Cb -0.13 0.79 0.07 0.00 1.01 0.00 0.00 42.92 44.66 3kyh s ASP 205 CO 0.56 -0.10 1.19 -0.36 0.21 0.00 0.00 175.17 176.67 3kyh s PHE 206 N 0.56 1.97 0.11 4.23 0.40 -1.26 0.15 117.98 124.14 3kyh s PHE 206 Ca -0.00 1.64 -0.32 0.00 -0.60 0.00 0.00 56.93 57.65 3kyh s PHE 206 Cb -0.04 -3.42 -0.11 0.00 0.51 0.00 0.00 43.02 39.95 3kyh s PHE 206 CO -0.11 -2.63 1.58 0.66 0.70 0.00 0.00 175.22 175.42 3kyh h SER 207 N -0.73 -1.28 0.00 1.36 4.64 -1.37 -2.77 113.55 113.39 3kyh h SER 207 Ca -0.46 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3kyh h SER 207 Cb 1.29 0.47 0.00 0.00 -0.31 0.00 0.00 62.40 63.85 3kyh h SER 207 CO 0.48 -0.52 0.11 0.00 -0.87 0.00 0.00 176.83 176.03 3kyh n TYR 208 N -5.48 0.00 -1.41 4.77 0.18 -1.26 -0.38 117.16 113.58 3kyh n TYR 208 Ca -0.08 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.48 3kyh n TYR 208 Cb 0.39 -0.06 0.14 0.00 -0.38 0.00 0.00 39.34 39.43 3kyh n TYR 208 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 3kyh n GLN 209 N -0.84 2.43 -0.22 -3.48 6.02 -1.05 -4.64 117.38 115.61 3kyh n GLN 209 Ca 0.00 -3.27 0.00 0.00 -0.01 0.00 0.00 57.00 53.72 3kyh n GLN 209 Cb 0.11 -2.13 0.12 0.00 1.02 0.00 0.00 30.24 29.35 3kyh n GLN 209 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3kyh h LEU 210 N 1.43 0.36 -0.53 1.08 3.38 -0.95 0.25 115.31 120.34 3kyh h LEU 210 Ca 0.50 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.62 3kyh h LEU 210 Cb 1.81 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 42.47 3kyh h LEU 210 CO 1.04 0.21 -0.41 -0.37 0.09 0.00 0.00 178.44 179.00 3kyh h VAL 211 N 0.52 0.11 0.00 1.22 -1.51 -1.87 0.31 116.25 115.03 3kyh h VAL 211 Ca 0.32 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.78 3kyh h VAL 211 Cb 0.36 0.11 -0.00 0.00 -2.13 0.00 0.00 31.29 29.63 3kyh h VAL 211 CO -0.28 0.00 -0.06 0.11 -1.23 0.00 0.00 177.57 176.12 3kyh h LYS 212 N -0.24 0.00 0.00 5.19 1.79 -1.74 -3.15 116.57 118.41 3kyh h LYS 212 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 3kyh h LYS 212 Cb 0.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 3kyh h LYS 212 CO -0.65 0.06 0.00 0.28 -1.08 0.00 0.00 179.45 178.06 3kyh n VAL 213 N -3.17 0.00 -0.12 0.50 0.31 0.82 -4.35 118.33 112.32 3kyh n VAL 213 Ca 0.01 0.13 0.11 0.00 -0.01 0.00 0.00 64.34 64.58 3kyh n VAL 213 Cb 0.35 -0.28 0.21 0.00 -0.91 0.00 0.00 33.84 33.21 3kyh n VAL 213 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kyh n ALA 214 N -0.96 0.37 0.25 3.52 0.00 0.99 0.52 120.51 125.21 3kyh n ALA 214 Ca 0.00 0.33 0.09 0.00 0.00 0.00 0.00 53.44 53.86 3kyh n ALA 214 Cb 0.00 -0.35 0.63 0.00 0.00 0.00 0.00 19.45 19.74 3kyh n ALA 214 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kyh h LYS 215 N 0.00 0.00 0.00 0.00 1.57 -1.74 -3.36 116.57 113.04 3kyh h LYS 215 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3kyh h LYS 215 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3kyh h LYS 215 CO -0.23 0.12 0.00 -1.13 -0.57 0.00 0.00 179.45 177.63 3kyh n SER 216 N -4.14 0.00 0.00 0.86 3.41 0.19 -4.63 113.62 109.30 3kyh n SER 216 Ca -0.02 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 3kyh n SER 216 Cb 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3kyh n SER 216 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3kyh n LEU 217 N -0.40 0.00 0.05 1.04 -0.00 -1.26 -0.35 117.00 116.09 3kyh n LEU 217 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.02 3kyh n LEU 217 Cb 0.00 0.00 0.35 0.00 -0.00 0.00 0.00 43.42 43.77 3kyh n LEU 217 CO 0.00 0.00 0.93 0.44 -0.00 0.00 0.00 177.39 178.76 3kyh h ASP 218 N 0.00 0.37 0.00 1.96 3.45 -1.82 -3.36 116.42 117.02 3kyh h ASP 218 Ca 0.00 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.39 3kyh h ASP 218 Cb 0.00 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 3kyh h ASP 218 CO 0.00 0.46 -1.30 0.29 -1.57 0.00 0.00 179.24 177.13 3kyh n LYS 219 N -4.29 1.14 -1.46 3.56 4.01 0.53 -5.04 118.16 116.61 3kyh n LYS 219 Ca 0.01 -0.08 -0.37 0.00 -0.51 0.00 0.00 58.31 57.35 3kyh n LYS 219 Cb 0.24 -1.26 0.06 0.00 -0.51 0.00 0.00 35.03 33.55 3kyh n LYS 219 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3kyh n LEU 220 N -1.76 2.07 0.00 -0.35 4.77 -1.25 -4.86 117.00 115.62 3kyh n LEU 220 Ca -0.01 0.71 0.10 0.00 -0.03 0.00 0.00 56.01 56.79 3kyh n LEU 220 Cb 0.31 -1.28 0.62 0.00 -2.33 0.00 0.00 43.42 40.74 3kyh n LEU 220 CO 0.28 -2.57 0.81 -0.81 -1.33 0.00 0.00 177.39 173.78 3kyh n PRO 221 N -0.74 0.68 0.00 3.23 -0.04 -1.26 -4.77 135.00 132.11 3kyh n PRO 221 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 3kyh n PRO 221 Cb 0.48 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 3kyh n PRO 221 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3kyh n HIS 222 N -0.98 0.00 -3.97 0.54 1.44 -1.26 -3.17 115.22 107.83 3kyh n HIS 222 Ca 0.16 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.65 3kyh n HIS 222 Cb 0.07 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.01 3kyh n HIS 222 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3kyh s LEU 223 N 0.00 0.99 -0.28 2.39 1.02 -1.26 -5.04 118.68 116.50 3kyh s LEU 223 Ca 0.00 -0.13 -0.07 0.00 0.02 0.00 0.00 54.13 53.95 3kyh s LEU 223 Cb 0.00 -0.50 0.14 0.00 0.02 0.00 0.00 46.19 45.85 3kyh s LEU 223 CO 0.00 -0.12 0.59 -0.94 0.02 0.00 0.00 176.35 175.89 3kyh s SER 224 N 1.47 -0.97 -0.49 2.29 1.04 -1.26 0.13 113.70 115.91 3kyh s SER 224 Ca -0.02 1.26 0.04 0.00 0.48 0.00 0.00 55.95 57.71 3kyh s SER 224 Cb -0.13 2.05 0.13 0.00 0.10 0.00 0.00 66.02 68.17 3kyh s SER 224 CO -0.03 -0.23 0.23 1.51 0.98 0.00 0.00 173.24 175.69 3kyh s ASP 225 N 2.82 4.35 0.00 7.02 -4.77 -0.93 -4.90 116.67 120.27 3kyh s ASP 225 Ca 0.01 -2.87 0.00 0.00 -3.30 0.00 0.00 52.55 46.39 3kyh s ASP 225 Cb -0.13 -1.61 0.00 0.00 -1.09 0.00 0.00 42.92 40.09 3kyh s ASP 225 CO -0.18 -0.25 0.00 0.61 0.70 0.00 0.00 175.17 176.04 3kyh n GLY 226 N 3.29 0.70 3.11 2.12 0.00 -1.26 -4.58 105.19 108.58 3kyh n GLY 226 Ca 0.05 -2.11 -0.21 0.00 0.00 0.00 0.00 46.02 43.75 3kyh n GLY 226 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kyh s LEU 227 N 0.00 2.08 -0.05 0.99 2.96 -1.22 -3.17 118.68 120.27 3kyh s LEU 227 Ca 0.00 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 3kyh s LEU 227 Cb 0.00 -0.65 -0.00 0.00 0.50 0.00 0.00 46.19 46.04 3kyh s LEU 227 CO 0.00 0.11 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.34 3kyh s ILE 228 N -0.52 1.49 -0.21 6.68 -1.09 0.76 -1.05 121.20 127.25 3kyh s ILE 228 Ca 0.04 -0.73 -0.02 0.00 -2.23 0.00 0.00 60.65 57.70 3kyh s ILE 228 Cb -0.06 -1.29 0.00 0.00 -1.58 0.00 0.00 42.46 39.54 3kyh s ILE 228 CO 0.00 0.43 -0.09 -0.36 -1.23 0.00 0.00 174.94 173.69 3kyh s PHE 229 N 0.13 2.91 -0.06 3.97 0.40 0.60 -2.84 117.98 123.09 3kyh s PHE 229 Ca -0.07 -1.21 0.05 0.00 -0.60 0.00 0.00 56.93 55.11 3kyh s PHE 229 Cb -0.13 -2.05 -0.01 0.00 0.51 0.00 0.00 43.02 41.35 3kyh s PHE 229 CO 0.03 -0.64 -0.23 0.99 0.70 0.00 0.00 175.22 176.07 3kyh s THR 230 N 1.41 1.88 -0.26 0.64 2.01 -0.25 -0.55 115.64 120.51 3kyh s THR 230 Ca 0.05 -0.96 -0.17 0.00 0.31 0.00 0.00 61.69 60.92 3kyh s THR 230 Cb -0.14 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 3kyh s THR 230 CO -0.06 0.52 0.47 -2.16 -0.69 0.00 0.00 174.62 172.70 3kyh s PRO 231 N -0.02 4.05 0.00 4.92 0.04 -1.26 -0.13 135.00 142.61 3kyh s PRO 231 Ca -0.06 0.23 -0.01 0.00 0.04 0.00 0.00 61.00 61.20 3kyh s PRO 231 Cb -0.14 -3.65 -0.00 0.00 0.04 0.00 0.00 34.50 30.74 3kyh s PRO 231 CO 0.04 -0.33 1.01 0.28 0.04 0.00 0.00 177.00 178.05 3kyh h VAL 232 N 5.40 0.00 -0.38 -0.36 2.07 -1.76 -2.81 116.25 118.40 3kyh h VAL 232 Ca -0.30 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.00 3kyh h VAL 232 Cb 1.15 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.80 3kyh h VAL 232 CO 0.69 0.00 0.29 2.29 0.02 0.00 0.00 177.57 180.86 3kyh n LYS 233 N -2.57 1.55 -4.44 1.57 2.85 -1.26 -1.75 118.16 114.11 3kyh n LYS 233 Ca -0.00 -1.20 -0.31 0.00 -1.05 0.00 0.00 58.31 55.75 3kyh n LYS 233 Cb 0.01 -1.47 -0.11 0.00 -0.65 0.00 0.00 35.03 32.81 3kyh n LYS 233 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kyh s ALA 234 N -1.35 2.85 0.90 0.58 0.00 -1.06 -4.90 121.76 118.77 3kyh s ALA 234 Ca 0.23 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 3kyh s ALA 234 Cb 0.19 -0.91 0.14 0.00 0.00 0.00 0.00 23.12 22.54 3kyh s ALA 234 CO 0.02 0.61 1.20 -2.14 0.00 0.00 0.00 175.76 175.46 3kyh s PRO 235 N -1.71 1.23 0.00 0.00 0.02 -1.26 -2.66 135.00 130.62 3kyh s PRO 235 Ca 0.18 0.01 0.00 0.00 0.02 0.00 0.00 61.00 61.20 3kyh s PRO 235 Cb -0.11 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.54 3kyh s PRO 235 CO 0.09 -2.08 0.00 0.98 -0.33 0.00 0.00 177.00 175.66 3kyh n TYR 236 N -3.63 0.00 -3.64 6.54 9.36 -1.21 -4.92 117.16 119.66 3kyh n TYR 236 Ca 0.10 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.29 3kyh n TYR 236 Cb 0.60 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.27 3kyh n TYR 236 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3kyh s THR 237 N 1.18 0.00 0.00 2.97 2.01 -1.26 -5.05 115.64 115.49 3kyh s THR 237 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3kyh s THR 237 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 3kyh s THR 237 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 3kyh n ALA 238 N 0.64 0.00 -1.04 7.40 0.00 -1.25 -4.25 120.51 122.00 3kyh n ALA 238 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 3kyh n ALA 238 Cb 0.59 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.12 3kyh n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kyh n GLY 239 N 5.00 -2.07 0.80 0.00 0.00 -1.16 -3.99 105.19 103.75 3kyh n GLY 239 Ca 0.00 -0.57 0.10 0.00 0.00 0.00 0.00 46.02 45.55 3kyh n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kyh n GLY 240 N 1.78 -2.43 3.49 -0.02 0.00 -1.23 -4.95 105.19 101.83 3kyh n GLY 240 Ca 0.07 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 3kyh n GLY 240 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kyh n LYS 241 N -3.47 -2.47 -3.65 1.61 5.02 -1.26 -3.51 118.16 110.43 3kyh n LYS 241 Ca -0.03 -1.78 -0.05 0.00 -2.02 0.00 0.00 58.31 54.43 3kyh n LYS 241 Cb 0.37 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.83 3kyh n LYS 241 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3kyh s ASP 242 N -4.79 -0.98 0.60 4.39 -1.08 -1.16 -4.76 116.67 108.90 3kyh s ASP 242 Ca 0.70 1.50 0.29 0.00 -0.52 0.00 0.00 52.55 54.52 3kyh s ASP 242 Cb -0.05 1.64 1.16 0.00 -1.46 0.00 0.00 42.92 44.21 3kyh s ASP 242 CO 0.52 -0.23 1.52 -1.28 0.52 0.00 0.00 175.17 176.21 3kyh h SER 243 N 7.32 0.00 0.00 -0.34 0.87 -1.97 -2.19 113.55 117.24 3kyh h SER 243 Ca -0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 3kyh h SER 243 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 3kyh h SER 243 CO 0.15 0.00 -1.28 0.18 -0.53 0.00 0.00 176.83 175.35 3kyh n LEU 244 N -3.44 0.48 -4.70 2.23 4.77 -1.26 -4.89 117.00 110.19 3kyh n LEU 244 Ca 0.20 -0.28 -0.38 0.00 -0.03 0.00 0.00 56.01 55.51 3kyh n LEU 244 Cb 1.28 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.31 3kyh n LEU 244 CO 0.26 0.12 0.20 -0.22 -1.33 0.00 0.00 177.39 176.42 3kyh s LEU 245 N -3.47 4.23 -0.23 2.23 2.96 -0.83 -4.49 118.68 119.09 3kyh s LEU 245 Ca 0.01 0.78 0.01 0.00 -0.22 0.00 0.00 54.13 54.71 3kyh s LEU 245 Cb 0.13 -2.71 0.06 0.00 0.50 0.00 0.00 46.19 44.16 3kyh s LEU 245 CO 0.75 -0.07 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.87 3kyh s LEU 246 N 0.99 2.76 -0.24 -0.68 1.43 0.28 -2.22 118.68 121.00 3kyh s LEU 246 Ca 0.26 -1.17 -0.21 0.00 -1.03 0.00 0.00 54.13 51.98 3kyh s LEU 246 Cb -0.15 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 3kyh s LEU 246 CO 0.10 -0.20 0.65 -1.59 0.23 0.00 0.00 176.35 175.54 3kyh s LYS 247 N 1.31 4.13 -0.14 1.70 -2.85 -1.25 -0.29 119.74 122.36 3kyh s LYS 247 Ca -0.06 0.60 -0.07 0.00 -1.00 0.00 0.00 55.97 55.45 3kyh s LYS 247 Cb -0.19 -3.64 -0.04 0.00 -2.06 0.00 0.00 37.83 31.91 3kyh s LYS 247 CO -0.06 -0.40 0.11 -0.46 0.10 0.00 0.00 175.35 174.64 3kyh s TRP 248 N 2.45 3.44 0.05 1.78 -0.00 -0.22 -1.57 118.94 124.87 3kyh s TRP 248 Ca 0.27 0.37 0.06 0.00 -0.00 0.00 0.00 56.10 56.81 3kyh s TRP 248 Cb -0.16 -1.98 -0.02 0.00 -0.00 0.00 0.00 33.47 31.31 3kyh s TRP 248 CO 0.09 0.52 -0.18 -1.59 -0.00 0.00 0.00 176.95 175.79 3kyh s LYS 249 N -0.53 1.15 -0.16 5.86 -2.85 -1.26 -3.44 119.74 118.52 3kyh s LYS 249 Ca 0.12 -0.88 -0.34 0.00 -1.00 0.00 0.00 55.97 53.86 3kyh s LYS 249 Cb -0.12 -1.23 -0.11 0.00 -2.06 0.00 0.00 37.83 34.30 3kyh s LYS 249 CO 0.02 0.31 1.95 -2.30 0.10 0.00 0.00 175.35 175.43 3kyh n PRO 250 N 1.79 1.91 -0.21 1.78 -0.02 -1.26 -4.81 135.00 134.17 3kyh n PRO 250 Ca -0.18 0.67 0.04 0.00 -2.02 0.00 0.00 63.50 62.01 3kyh n PRO 250 Cb 0.54 -2.63 0.10 0.00 -0.02 0.00 0.00 33.50 31.49 3kyh n PRO 250 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3kyh n GLU 251 N 6.99 -0.05 0.00 -0.52 0.00 -1.26 0.25 120.64 126.05 3kyh n GLU 251 Ca 0.26 0.92 0.00 0.00 0.00 0.00 0.00 57.16 58.34 3kyh n GLU 251 Cb 0.28 -1.39 0.00 0.00 0.00 0.00 0.00 31.44 30.34 3kyh n GLU 251 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3kyh n GLN 252 N -4.93 0.00 -0.10 3.44 3.00 -1.26 -3.26 117.38 114.26 3kyh n GLN 252 Ca 0.10 0.58 0.01 0.00 -0.01 0.00 0.00 57.00 57.69 3kyh n GLN 252 Cb 0.32 -1.02 0.04 0.00 0.00 0.00 0.00 30.24 29.58 3kyh n GLN 252 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 3kyh n GLU 253 N -1.59 -0.03 -1.68 -1.09 2.13 0.14 -4.29 120.64 114.23 3kyh n GLU 253 Ca 0.00 0.43 -0.44 0.00 0.66 0.00 0.00 57.16 57.81 3kyh n GLU 253 Cb 0.00 -0.64 -0.02 0.00 0.27 0.00 0.00 31.44 31.05 3kyh n GLU 253 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3kyh n ASN 254 N -4.44 2.90 -3.63 4.31 3.02 -1.20 -4.97 115.26 111.24 3kyh n ASN 254 Ca 0.04 1.15 -0.03 0.00 -0.03 0.00 0.00 54.58 55.71 3kyh n ASN 254 Cb 0.14 -1.45 -0.02 0.00 -0.61 0.00 0.00 39.78 37.83 3kyh n ASN 254 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3kyh s THR 255 N -0.12 0.00 0.10 3.41 -1.32 -1.26 -4.55 115.64 111.90 3kyh s THR 255 Ca 0.67 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 61.11 3kyh s THR 255 Cb -0.62 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.34 3kyh s THR 255 CO 0.50 0.00 0.10 -0.69 -2.21 0.00 0.00 174.62 172.32 3kyh s VAL 256 N -2.06 0.15 -0.56 5.08 1.01 -1.26 -4.99 120.40 117.77 3kyh s VAL 256 Ca 0.11 -1.61 -0.24 0.00 0.00 0.00 0.00 61.98 60.24 3kyh s VAL 256 Cb -0.01 -1.65 0.04 0.00 0.00 0.00 0.00 36.38 34.76 3kyh s VAL 256 CO -0.03 -0.67 0.92 -1.81 0.00 0.00 0.00 175.10 173.51 3kyh s ASP 257 N -2.94 6.32 -0.39 3.32 1.01 -1.26 -3.63 116.67 119.10 3kyh s ASP 257 Ca 0.12 -0.44 -0.16 0.00 0.71 0.00 0.00 52.55 52.78 3kyh s ASP 257 Cb 0.06 -2.43 0.01 0.00 1.01 0.00 0.00 42.92 41.58 3kyh s ASP 257 CO -0.06 -1.23 0.38 -0.36 0.21 0.00 0.00 175.17 174.12 3kyh s PHE 258 N 3.88 3.20 0.31 4.23 0.40 0.78 -3.80 117.98 126.97 3kyh s PHE 258 Ca 0.29 -0.27 -0.29 0.00 -0.60 0.00 0.00 56.93 56.06 3kyh s PHE 258 Cb -0.13 -2.75 -0.13 0.00 0.51 0.00 0.00 43.02 40.51 3kyh s PHE 258 CO 0.18 -0.57 1.26 1.17 0.70 0.00 0.00 175.22 177.95 3kyh n LYS 259 N 5.44 1.95 -4.54 0.44 3.00 -1.25 -0.28 118.16 122.92 3kyh n LYS 259 Ca -0.09 0.68 -0.33 0.00 -0.00 0.00 0.00 58.31 58.58 3kyh n LYS 259 Cb 0.48 -2.24 -0.16 0.00 0.00 0.00 0.00 35.03 33.11 3kyh n LYS 259 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 3kyh s LEU 260 N -0.49 2.22 -0.11 3.14 0.05 -1.14 -1.58 118.68 120.78 3kyh s LEU 260 Ca 0.59 -0.57 -0.03 0.00 0.05 0.00 0.00 54.13 54.16 3kyh s LEU 260 Cb -0.61 -1.49 -0.03 0.00 -2.05 0.00 0.00 46.19 42.00 3kyh s LEU 260 CO 0.59 0.07 0.02 -0.63 -0.55 0.00 0.00 176.35 175.85 3kyh s ILE 261 N 0.90 4.44 -0.18 1.48 1.01 -0.57 -3.25 121.20 125.03 3kyh s ILE 261 Ca -0.05 -0.19 -0.13 0.00 0.00 0.00 0.00 60.65 60.29 3kyh s ILE 261 Cb -0.15 -2.90 -0.05 0.00 0.01 0.00 0.00 42.46 39.37 3kyh s ILE 261 CO -0.03 0.58 0.24 -0.76 0.00 0.00 0.00 174.94 174.97 3kyh s LEU 262 N -0.63 4.23 -0.26 2.97 1.43 -1.26 -2.55 118.68 122.60 3kyh s LEU 262 Ca 0.10 0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 53.57 3kyh s LEU 262 Cb -0.12 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.84 3kyh s LEU 262 CO 0.02 0.12 0.00 1.51 0.23 0.00 0.00 176.35 178.23 3kyh s ASP 263 N 0.48 4.67 -0.26 2.29 3.84 -1.22 -4.98 116.67 121.48 3kyh s ASP 263 Ca 0.14 -0.73 -0.20 0.00 -0.00 0.00 0.00 52.55 51.76 3kyh s ASP 263 Cb -0.12 -1.77 0.07 0.00 -1.38 0.00 0.00 42.92 39.72 3kyh s ASP 263 CO 0.02 -0.14 0.68 -0.63 -0.00 0.00 0.00 175.17 175.10 3kyh s ILE 264 N 1.42 -0.00 0.03 2.11 1.09 -1.26 -3.93 121.20 120.66 3kyh s ILE 264 Ca 0.02 0.00 -0.15 0.00 -1.10 0.00 0.00 60.65 59.43 3kyh s ILE 264 Cb -0.17 -0.96 -0.07 0.00 -1.06 0.00 0.00 42.46 40.20 3kyh s ILE 264 CO -0.01 0.00 1.23 -0.65 -0.10 0.00 0.00 174.94 175.41 3kyh h PRO 265 N 6.00 -0.43 0.00 2.79 0.11 -2.00 -3.51 132.00 134.96 3kyh h PRO 265 Ca -0.30 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3kyh h PRO 265 Cb 1.19 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kyh h PRO 265 CO 0.12 -0.29 0.00 0.98 -0.21 0.00 0.00 178.00 178.60 3kyh n TYR 284 N -3.57 0.00 -0.05 0.65 9.36 -1.26 -5.26 117.16 117.03 3kyh n TYR 284 Ca -0.05 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.15 3kyh n TYR 284 Cb 0.20 0.02 -0.12 0.00 -0.63 0.00 0.00 39.34 38.80 3kyh n TYR 284 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3kyh n ASP 285 N 0.00 1.20 -4.90 2.98 5.75 -1.26 -5.02 116.55 115.31 3kyh n ASP 285 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 54.79 54.58 3kyh n ASP 285 Cb 0.29 1.19 -0.02 0.00 -1.03 0.00 0.00 41.12 41.55 3kyh n ASP 285 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3kyh s VAL 286 N -2.65 3.28 -0.05 2.12 1.01 -1.26 -5.05 120.40 117.80 3kyh s VAL 286 Ca -0.07 -1.26 -0.40 0.00 0.00 0.00 0.00 61.98 60.25 3kyh s VAL 286 Cb 0.07 -3.14 -0.19 0.00 0.00 0.00 0.00 36.38 33.12 3kyh s VAL 286 CO 0.65 -0.10 1.27 2.29 0.00 0.00 0.00 175.10 179.21 3kyh n LYS 287 N -1.52 0.46 -1.48 2.72 2.85 -1.26 -5.03 118.16 114.90 3kyh n LYS 287 Ca 0.01 0.17 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 3kyh n LYS 287 Cb 0.60 -1.73 0.00 0.00 -0.65 0.00 0.00 35.03 33.25 3kyh n LYS 287 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 3kyh n PRO 288 N 2.41 1.84 -2.64 -1.58 -0.04 -1.26 -5.10 135.00 128.63 3kyh n PRO 288 Ca 0.21 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.25 3kyh n PRO 288 Cb 0.10 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.54 3kyh n PRO 288 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kyh s VAL 289 N -0.12 4.68 -0.65 0.52 1.01 -1.25 -5.03 120.40 119.56 3kyh s VAL 289 Ca 0.00 1.94 -0.00 0.00 0.00 0.00 0.00 61.98 63.92 3kyh s VAL 289 Cb 0.00 -4.24 0.16 0.00 0.00 0.00 0.00 36.38 32.30 3kyh s VAL 289 CO 0.00 0.09 0.45 0.72 0.00 0.00 0.00 175.10 176.36 3kyh s PHE 290 N 1.48 3.44 0.24 5.22 -0.71 -1.26 -3.44 117.98 122.94 3kyh s PHE 290 Ca 0.52 -2.95 -0.18 0.00 -1.04 0.00 0.00 56.93 53.28 3kyh s PHE 290 Cb -0.21 -3.06 -0.08 0.00 -1.21 0.00 0.00 43.02 38.45 3kyh s PHE 290 CO 0.24 -0.77 0.71 -1.54 -1.34 0.00 0.00 175.22 172.52 3kyh s SER 291 N 0.07 6.95 -0.13 1.98 1.04 -1.06 -3.67 113.70 118.89 3kyh s SER 291 Ca 0.19 1.34 0.02 0.00 0.48 0.00 0.00 55.95 57.98 3kyh s SER 291 Cb -0.18 -2.39 0.01 0.00 0.10 0.00 0.00 66.02 63.56 3kyh s SER 291 CO -0.05 -0.02 -0.18 -1.48 0.98 0.00 0.00 173.24 172.48 3kyh s LEU 292 N -2.25 1.89 0.40 2.42 2.34 -1.24 -1.52 118.68 120.72 3kyh s LEU 292 Ca 0.45 -0.51 0.07 0.00 0.06 0.00 0.00 54.13 54.21 3kyh s LEU 292 Cb -0.15 -1.25 -0.07 0.00 -0.56 0.00 0.00 46.19 44.16 3kyh s LEU 292 CO 0.20 0.03 0.04 -0.31 -1.06 0.00 0.00 176.35 175.25 3kyh s TYR 293 N 0.98 2.53 -0.13 3.48 1.51 -0.62 -3.20 117.35 121.90 3kyh s TYR 293 Ca -0.05 -0.63 -0.01 0.00 -1.01 0.00 0.00 57.07 55.37 3kyh s TYR 293 Cb -0.15 -1.77 0.04 0.00 -0.11 0.00 0.00 41.96 39.97 3kyh s TYR 293 CO -0.03 0.41 -0.02 0.14 -1.11 0.00 0.00 175.55 174.93 3kyh s VAL 294 N -2.67 0.74 0.22 0.71 -7.23 -1.25 -3.89 120.40 107.03 3kyh s VAL 294 Ca 0.36 -0.30 -0.30 0.00 -1.81 0.00 0.00 61.98 59.93 3kyh s VAL 294 Cb 0.08 -0.94 -0.09 0.00 0.56 0.00 0.00 36.38 35.98 3kyh s VAL 294 CO 0.19 0.15 1.29 -1.66 -0.31 0.00 0.00 175.10 174.76 3kyh s TRP 295 N 1.80 3.26 0.01 2.82 1.48 -1.17 -4.06 118.94 123.08 3kyh s TRP 295 Ca 0.03 1.28 0.00 0.00 -1.06 0.00 0.00 56.10 56.35 3kyh s TRP 295 Cb -0.14 -3.58 -0.01 0.00 -1.16 0.00 0.00 33.47 28.58 3kyh s TRP 295 CO -0.07 -1.77 -0.02 -1.14 -4.06 0.00 0.00 176.95 169.89 3kyh s GLN 296 N -0.38 0.21 4.73 3.25 0.74 -0.49 -3.40 119.66 124.31 3kyh s GLN 296 Ca 0.55 -0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.69 3kyh s GLN 296 Cb -0.36 -0.06 0.00 0.00 1.10 0.00 0.00 33.01 33.68 3kyh s GLN 296 CO 0.40 0.01 0.00 0.41 -0.55 0.00 0.00 175.29 175.56 3kyh n GLY 297 N 2.50 1.65 0.66 2.59 0.00 -1.26 -4.16 105.19 107.16 3kyh n GLY 297 Ca -0.16 -0.66 -0.00 0.00 0.00 0.00 0.00 46.02 45.19 3kyh n GLY 297 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kyh n GLY 298 N 0.00 0.72 0.45 -0.02 0.00 -1.26 -5.00 105.19 100.08 3kyh n GLY 298 Ca 0.00 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.02 3kyh n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyh n ALA 299 N 0.06 2.54 0.21 4.61 0.00 -1.26 -4.14 120.51 122.52 3kyh n ALA 299 Ca -0.01 -0.45 -0.09 0.00 0.00 0.00 0.00 53.44 52.89 3kyh n ALA 299 Cb 0.69 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 3kyh n ALA 299 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3kyh h ASP 300 N 1.83 -0.49 -0.61 0.00 1.82 -1.89 -1.01 116.42 116.06 3kyh h ASP 300 Ca 0.00 0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 56.60 3kyh h ASP 300 Cb 0.40 0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.51 3kyh h ASP 300 CO 0.00 -0.12 0.18 0.58 -1.61 0.00 0.00 179.24 178.27 3kyh h VAL 301 N -1.04 1.24 -0.50 2.25 2.07 -1.99 0.13 116.25 118.41 3kyh h VAL 301 Ca -0.06 -0.86 0.08 0.00 0.82 0.00 0.00 66.70 66.68 3kyh h VAL 301 Cb 0.44 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 30.67 3kyh h VAL 301 CO 0.10 0.33 -0.40 0.78 0.02 0.00 0.00 177.57 178.40 3kyh h ASN 302 N 0.95 -1.36 -0.97 0.57 4.21 -1.72 0.04 115.58 117.30 3kyh h ASN 302 Ca 0.21 0.23 0.01 0.00 1.21 0.00 0.00 56.30 57.95 3kyh h ASN 302 Cb 0.30 0.62 -0.05 0.00 -1.12 0.00 0.00 38.32 38.07 3kyh h ASN 302 CO -0.00 -0.34 0.64 0.28 -1.29 0.00 0.00 177.43 176.71 3kyh h SER 303 N -0.26 1.12 -0.72 5.81 0.02 -0.61 -2.97 113.55 115.95 3kyh h SER 303 Ca 0.17 -0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.19 3kyh h SER 303 Cb 0.57 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 3kyh h SER 303 CO -0.63 0.82 0.47 0.03 -1.14 0.00 0.00 176.83 176.38 3kyh h ARG 304 N 1.32 0.56 -0.50 3.45 2.47 0.12 0.17 114.38 121.98 3kyh h ARG 304 Ca 0.36 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 59.07 3kyh h ARG 304 Cb -0.14 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.02 3kyh h ARG 304 CO -0.08 0.37 0.33 -0.07 0.56 0.00 0.00 179.97 181.09 3kyh h LEU 305 N 0.58 0.50 -3.84 3.04 4.07 -1.19 -2.81 115.31 115.66 3kyh h LEU 305 Ca 0.33 -0.01 -0.59 0.00 0.08 0.00 0.00 57.88 57.70 3kyh h LEU 305 Cb 0.52 -0.12 -0.36 0.00 1.08 0.00 0.00 40.66 41.78 3kyh h LEU 305 CO -0.11 0.35 -0.07 2.29 -1.08 0.00 0.00 178.44 179.82 3kyh n LYS 306 N -4.47 3.14 -0.00 1.13 0.00 0.51 -4.56 118.16 113.90 3kyh n LYS 306 Ca 0.05 -3.75 0.00 0.00 -0.00 0.00 0.00 58.31 54.62 3kyh n LYS 306 Cb 0.13 -2.26 -0.01 0.00 -0.00 0.00 0.00 35.03 32.89 3kyh n LYS 306 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3kyh n HIS 307 N -0.82 0.00 0.15 5.58 8.25 -0.65 -4.68 115.22 123.05 3kyh n HIS 307 Ca 0.52 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 58.00 3kyh n HIS 307 Cb 0.85 -0.02 0.11 0.00 1.12 0.00 0.00 29.99 32.04 3kyh n HIS 307 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3kyh h PHE 308 N 0.00 0.00 0.00 4.41 3.57 -1.81 -3.27 116.94 119.84 3kyh h PHE 308 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3kyh h PHE 308 Cb 0.04 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.78 3kyh h PHE 308 CO 0.00 0.50 0.00 -0.25 -2.23 0.00 0.00 178.31 176.33 3kyh n ASP 309 N -3.31 1.07 -4.77 0.41 8.00 -1.26 -4.91 116.55 111.78 3kyh n ASP 309 Ca 0.01 -1.14 -0.39 0.00 0.71 0.00 0.00 54.79 53.98 3kyh n ASP 309 Cb 0.69 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 3kyh n ASP 309 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3kyh s GLN 310 N -0.38 4.33 -0.24 -1.24 -0.44 -1.24 -4.98 119.66 115.47 3kyh s GLN 310 Ca 0.00 1.84 -0.12 0.00 -2.50 0.00 0.00 55.36 54.58 3kyh s GLN 310 Cb 0.00 -2.90 -0.11 0.00 -1.64 0.00 0.00 33.01 28.36 3kyh s GLN 310 CO 0.00 -0.08 -0.31 -0.35 0.50 0.00 0.00 175.29 175.05 3kyh n PRO 311 N 0.57 0.52 -3.61 1.67 -0.05 -1.26 -5.11 135.00 127.73 3kyh n PRO 311 Ca 0.02 0.22 -0.05 0.00 -0.05 0.00 0.00 63.50 63.64 3kyh n PRO 311 Cb 0.46 -1.37 -0.04 0.00 -0.05 0.00 0.00 33.50 32.49 3kyh n PRO 311 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 175.50 175.57 3kyh s PHE 312 N -2.45 -0.17 0.63 0.54 5.36 -1.26 -5.07 117.98 115.56 3kyh s PHE 312 Ca -0.34 0.26 0.22 0.00 -0.96 0.00 0.00 56.93 56.11 3kyh s PHE 312 Cb 0.13 0.48 1.07 0.00 -0.34 0.00 0.00 43.02 44.36 3kyh s PHE 312 CO 0.43 -0.17 1.57 0.22 -1.46 0.00 0.00 175.22 175.82 3kyh h ASP 313 N 2.22 0.00 -0.30 6.13 1.82 -1.95 -3.35 116.42 120.99 3kyh h ASP 313 Ca -0.12 0.00 0.09 0.00 -0.39 0.00 0.00 57.03 56.62 3kyh h ASP 313 Cb 1.18 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.13 3kyh h ASP 313 CO 0.25 0.00 0.05 -2.11 -1.61 0.00 0.00 179.24 175.82 3kyh n ARG 314 N -3.12 -0.02 -0.00 0.28 1.85 -1.26 0.07 116.66 114.46 3kyh n ARG 314 Ca 0.07 0.44 0.08 0.00 -1.00 0.00 0.00 57.85 57.43 3kyh n ARG 314 Cb 0.86 -0.72 -0.11 0.00 -1.05 0.00 0.00 32.46 31.45 3kyh n ARG 314 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 3kyh n LYS 315 N -4.05 1.12 0.20 2.89 2.85 -1.26 -4.47 118.16 115.44 3kyh n LYS 315 Ca 0.08 -0.08 0.06 0.00 -1.05 0.00 0.00 58.31 57.32 3kyh n LYS 315 Cb 0.27 -1.31 0.42 0.00 -0.65 0.00 0.00 35.03 33.76 3kyh n LYS 315 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3kyh h GLU 316 N 0.00 0.00 0.00 -1.58 4.39 -0.63 -3.24 114.58 113.52 3kyh h GLU 316 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kyh h GLU 316 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3kyh h GLU 316 CO 0.00 0.33 0.28 0.74 -1.16 0.00 0.00 179.01 179.20 3kyh h PHE 317 N 0.00 0.00 -0.47 4.33 -1.00 -1.76 0.44 116.94 118.48 3kyh h PHE 317 Ca -0.00 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.64 3kyh h PHE 317 Cb 0.71 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.26 3kyh h PHE 317 CO 0.00 0.00 -0.23 1.49 -1.61 0.00 0.00 178.31 177.96 3kyh h GLU 318 N 0.00 0.98 0.00 1.51 4.57 -1.90 -2.94 114.58 116.81 3kyh h GLU 318 Ca 0.00 -0.43 -0.26 0.00 -1.18 0.00 0.00 59.36 57.49 3kyh h GLU 318 Cb 0.56 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.08 3kyh h GLU 318 CO 0.00 1.10 -2.15 0.44 -1.18 0.00 0.00 179.01 177.22 3kyh n ILE 319 N -4.12 1.07 0.14 2.32 -5.35 0.90 -4.32 119.36 110.01 3kyh n ILE 319 Ca -0.00 -0.76 0.07 0.00 -0.27 0.00 0.00 62.75 61.79 3kyh n ILE 319 Cb 0.46 -0.43 0.56 0.00 -1.74 0.00 0.00 39.64 38.50 3kyh n ILE 319 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3kyh h LEU 320 N 0.00 0.19 -0.72 7.28 6.46 -0.46 -3.33 115.31 124.73 3kyh h LEU 320 Ca -0.37 -0.00 0.15 0.00 -0.12 0.00 0.00 57.88 57.54 3kyh h LEU 320 Cb 1.88 -0.05 -0.13 0.00 -0.73 0.00 0.00 40.66 41.64 3kyh h LEU 320 CO 0.03 0.13 -0.11 1.05 -0.62 0.00 0.00 178.44 178.92 3kyh h GLU 321 N 0.22 0.04 -0.60 1.25 9.09 -1.70 -3.01 114.58 119.86 3kyh h GLU 321 Ca 0.07 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.48 3kyh h GLU 321 Cb 0.03 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 3kyh h GLU 321 CO -0.01 0.02 0.00 0.54 0.05 0.00 0.00 179.01 179.61 3kyh n ARG 322 N -5.42 0.53 0.00 1.06 3.00 -1.25 -2.67 116.66 111.91 3kyh n ARG 322 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.95 3kyh n ARG 322 Cb 0.40 -1.26 0.00 0.00 0.00 0.00 0.00 32.46 31.60 3kyh n ARG 322 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 3kyh n THR 323 N 0.27 0.00 -4.14 0.55 5.66 -1.14 -4.15 114.28 111.33 3kyh n THR 323 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 3kyh n THR 323 Cb 0.14 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 68.75 3kyh n THR 323 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3kyh s TYR 324 N -0.25 1.29 -0.28 1.09 1.51 -1.09 -1.40 117.35 118.23 3kyh s TYR 324 Ca 0.00 -0.55 -0.02 0.00 -1.01 0.00 0.00 57.07 55.49 3kyh s TYR 324 Cb 0.00 -1.06 0.09 0.00 -0.11 0.00 0.00 41.96 40.88 3kyh s TYR 324 CO 0.00 -0.38 0.09 0.50 -1.11 0.00 0.00 175.55 174.66 3kyh s ARG 325 N 1.30 0.53 -0.71 -0.62 3.52 -1.26 -4.75 118.95 116.96 3kyh s ARG 325 Ca -0.03 -0.76 -0.26 0.00 -0.13 0.00 0.00 55.73 54.55 3kyh s ARG 325 Cb -0.14 -1.76 -0.01 0.00 -1.56 0.00 0.00 34.95 31.48 3kyh s ARG 325 CO -0.03 -0.92 1.75 -1.59 -0.81 0.00 0.00 175.30 173.70 3kyh s LYS 326 N 1.82 2.77 -1.01 5.12 0.00 -1.26 -3.94 119.74 123.24 3kyh s LYS 326 Ca 0.07 0.20 -0.04 0.00 0.00 0.00 0.00 55.97 56.20 3kyh s LYS 326 Cb -0.17 -4.52 0.27 0.00 0.00 0.00 0.00 37.83 33.42 3kyh s LYS 326 CO -0.25 -2.71 1.12 1.97 0.00 0.00 0.00 175.35 175.48 3kyh n PHE 327 N 12.13 3.89 0.00 1.78 1.16 -1.19 -4.91 117.46 130.32 3kyh n PHE 327 Ca 0.21 -3.56 0.00 0.00 -1.87 0.00 0.00 57.45 52.23 3kyh n PHE 327 Cb 0.51 -1.31 0.00 0.00 -1.61 0.00 0.00 39.48 37.06 3kyh n PHE 327 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3kyh n ALA 328 N 1.97 0.00 -3.63 1.98 0.00 -1.24 -4.91 120.51 114.68 3kyh n ALA 328 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.65 3kyh n ALA 328 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.76 3kyh n ALA 328 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3kyh s GLU 329 N -2.00 0.60 0.00 0.00 2.56 -1.26 -3.68 118.70 114.91 3kyh s GLU 329 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 54.97 56.22 3kyh s GLU 329 Cb 0.00 0.48 0.00 0.00 2.00 0.00 0.00 34.13 36.61 3kyh s GLU 329 CO 0.00 -0.16 0.00 -0.11 -0.56 0.00 0.00 175.26 174.43 3kyh n LEU 330 N 4.82 0.00 -3.64 2.70 7.94 -1.24 -4.73 117.00 122.85 3kyh n LEU 330 Ca -0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 3kyh n LEU 330 Cb 0.54 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.43 3kyh n LEU 330 CO -0.03 0.00 0.84 -0.94 -1.11 0.00 0.00 177.39 176.15 3kyh s SER 331 N -1.06 -0.29 -0.20 1.96 1.04 -1.26 -4.85 113.70 109.04 3kyh s SER 331 Ca 0.00 0.46 0.01 0.00 0.48 0.00 0.00 55.95 56.90 3kyh s SER 331 Cb 0.00 1.12 0.04 0.00 0.10 0.00 0.00 66.02 67.29 3kyh s SER 331 CO 0.00 -0.07 -0.09 -0.69 0.98 0.00 0.00 173.24 173.37 3kyh s VAL 332 N 1.21 1.58 1.16 5.02 1.01 -1.26 -4.81 120.40 124.30 3kyh s VAL 332 Ca -0.09 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.73 3kyh s VAL 332 Cb -0.03 -1.69 0.27 0.00 0.00 0.00 0.00 36.38 34.93 3kyh s VAL 332 CO -0.12 0.13 1.07 -0.94 0.00 0.00 0.00 175.10 175.24 3kyh s SER 333 N 1.42 1.23 0.18 3.32 1.04 -1.26 -4.77 113.70 114.86 3kyh s SER 333 Ca -0.02 0.92 0.08 0.00 0.48 0.00 0.00 55.95 57.41 3kyh s SER 333 Cb -0.16 -1.39 0.03 0.00 0.10 0.00 0.00 66.02 64.60 3kyh s SER 333 CO -0.08 -3.97 1.42 0.44 0.98 0.00 0.00 173.24 172.03 3kyh h ASP 334 N -2.47 0.04 0.13 7.02 3.45 -2.00 0.17 116.42 122.76 3kyh h ASP 334 Ca -0.50 -0.03 -0.01 0.00 0.43 0.00 0.00 57.03 56.92 3kyh h ASP 334 Cb 1.32 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 40.08 3kyh h ASP 334 CO 0.43 0.86 -0.06 -0.08 -1.57 0.00 0.00 179.24 178.82 3kyh h GLU 335 N 0.02 -0.17 0.00 3.56 4.81 -1.98 -3.06 114.58 117.75 3kyh h GLU 335 Ca -0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kyh h GLU 335 Cb 1.48 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.90 3kyh h GLU 335 CO 0.11 0.29 0.02 0.39 -0.73 0.00 0.00 179.01 179.09 3kyh n GLU 336 N -4.92 0.00 -0.08 1.92 1.02 -1.19 -0.21 120.64 117.18 3kyh n GLU 336 Ca -0.08 0.37 -0.16 0.00 -0.02 0.00 0.00 57.16 57.26 3kyh n GLU 336 Cb 0.27 -1.52 -0.11 0.00 -0.02 0.00 0.00 31.44 30.06 3kyh n GLU 336 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3kyh h TRP 337 N 0.00 0.00 0.00 -0.32 -0.00 -0.63 -3.38 115.95 111.62 3kyh h TRP 337 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 3kyh h TRP 337 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.20 3kyh h TRP 337 CO 0.00 1.13 0.00 1.04 -0.00 0.00 0.00 178.44 180.61 3kyh n GLN 338 N -4.54 0.25 -0.03 2.65 1.13 0.70 -1.80 117.38 115.75 3kyh n GLN 338 Ca -0.19 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 54.86 3kyh n GLN 338 Cb 0.54 -1.09 -0.08 0.00 0.11 0.00 0.00 30.24 29.72 3kyh n GLN 338 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3kyh n ASN 339 N -0.59 2.61 -0.64 1.08 5.03 -1.16 -4.48 115.26 117.12 3kyh n ASN 339 Ca 0.01 0.00 0.10 0.00 0.87 0.00 0.00 54.58 55.56 3kyh n ASN 339 Cb 0.00 1.07 0.34 0.00 -1.02 0.00 0.00 39.78 40.18 3kyh n ASN 339 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 3kyh n LEU 340 N -2.13 1.90 0.04 3.41 0.00 -0.74 -4.54 117.00 114.94 3kyh n LEU 340 Ca -0.09 -0.81 -0.22 0.00 0.00 0.00 0.00 56.01 54.88 3kyh n LEU 340 Cb 0.57 -0.13 -0.14 0.00 0.00 0.00 0.00 43.42 43.71 3kyh n LEU 340 CO 0.21 0.40 -0.66 0.11 0.00 0.00 0.00 177.39 177.45 3kyh h LYS 341 N 2.49 0.33 0.16 1.96 1.57 -1.74 -3.41 116.57 117.94 3kyh h LYS 341 Ca 0.00 -0.56 -0.31 0.00 -1.87 0.00 0.00 60.65 57.91 3kyh h LYS 341 Cb 0.55 0.21 0.01 0.00 0.08 0.00 0.00 32.23 33.08 3kyh h LYS 341 CO 0.00 1.27 -1.52 -2.95 -0.57 0.00 0.00 179.45 175.68 3kyh h ASN 342 N 0.07 0.53 -3.10 0.86 -1.07 -1.84 -3.46 115.58 107.57 3kyh h ASN 342 Ca -0.38 -0.91 -0.59 0.00 0.07 0.00 0.00 56.30 54.49 3kyh h ASN 342 Cb 2.05 -0.17 -0.04 0.00 -2.07 0.00 0.00 38.32 38.08 3kyh h ASN 342 CO 0.13 1.69 -0.26 -1.48 0.07 0.00 0.00 177.43 177.58 3kyh s LEU 343 N -7.47 4.34 0.21 6.14 0.05 -1.26 -5.09 118.68 115.59 3kyh s LEU 343 Ca -0.17 0.76 -0.23 0.00 0.05 0.00 0.00 54.13 54.54 3kyh s LEU 343 Cb 0.04 -2.99 0.05 0.00 -2.05 0.00 0.00 46.19 41.25 3kyh s LEU 343 CO 0.83 0.17 0.88 -1.83 -0.55 0.00 0.00 176.35 175.85 3kyh s GLU 344 N -1.96 1.45 0.09 1.48 1.03 -1.26 -4.76 118.70 114.76 3kyh s GLU 344 Ca 0.33 -0.82 -0.21 0.00 0.03 0.00 0.00 54.97 54.30 3kyh s GLU 344 Cb -0.14 0.48 0.05 0.00 -0.80 0.00 0.00 34.13 33.72 3kyh s GLU 344 CO 0.18 -0.66 0.52 1.14 -1.33 0.00 0.00 175.26 175.11 3kyh s GLN 345 N -3.34 1.11 -0.01 -4.83 -2.07 -1.26 -5.13 119.66 104.13 3kyh s GLN 345 Ca 0.13 -0.40 -0.40 0.00 -1.82 0.00 0.00 55.36 52.87 3kyh s GLN 345 Cb -0.03 0.50 -0.20 0.00 -1.09 0.00 0.00 33.01 32.20 3kyh s GLN 345 CO 0.04 -0.43 1.13 -2.30 -1.32 0.00 0.00 175.29 172.41 3kyh n PRO 346 N 0.06 0.14 -0.12 9.60 -0.01 -1.26 -4.93 135.00 138.49 3kyh n PRO 346 Ca -0.17 0.05 -0.22 0.00 -0.01 0.00 0.00 63.50 63.15 3kyh n PRO 346 Cb 0.62 -1.57 -0.07 0.00 -0.01 0.00 0.00 33.50 32.47 3kyh n PRO 346 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 175.50 176.77 3kyh n LEU 347 N 1.75 1.95 -4.26 2.45 4.77 -1.26 -4.71 117.00 117.68 3kyh n LEU 347 Ca 0.20 0.34 -0.08 0.00 -0.03 0.00 0.00 56.01 56.44 3kyh n LEU 347 Cb 0.09 -0.80 -0.06 0.00 -2.33 0.00 0.00 43.42 40.32 3kyh n LEU 347 CO 0.62 0.25 1.03 -3.20 -1.33 0.00 0.00 177.39 174.77 3kyh n ASN 348 N -4.34 -0.26 0.00 -1.43 2.85 -1.26 0.40 115.26 111.23 3kyh n ASN 348 Ca -0.39 -1.94 0.00 0.00 -0.11 0.00 0.00 54.58 52.14 3kyh n ASN 348 Cb 0.74 -1.13 0.00 0.00 1.24 0.00 0.00 39.78 40.63 3kyh n ASN 348 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3kyh n GLY 349 N 5.28 -0.19 1.94 8.20 0.00 -1.20 -4.96 105.19 114.26 3kyh n GLY 349 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 3kyh n GLY 349 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kyh n ARG 350 N 0.00 -0.88 -4.17 1.61 -4.01 0.16 -4.86 116.66 104.52 3kyh n ARG 350 Ca 0.00 -1.03 -0.17 0.00 -1.04 0.00 0.00 57.85 55.61 3kyh n ARG 350 Cb 0.00 -0.72 -0.15 0.00 -3.04 0.00 0.00 32.46 28.55 3kyh n ARG 350 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 3kyh s ILE 351 N -2.42 0.45 0.07 8.89 -1.09 -1.26 -2.87 121.20 122.98 3kyh s ILE 351 Ca 0.38 -0.19 0.03 0.00 -2.23 0.00 0.00 60.65 58.64 3kyh s ILE 351 Cb -0.01 -0.42 -0.03 0.00 -1.58 0.00 0.00 42.46 40.42 3kyh s ILE 351 CO 0.27 0.15 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.34 3kyh s VAL 352 N 0.19 0.84 -0.03 2.92 1.01 0.61 -1.27 120.40 124.68 3kyh s VAL 352 Ca -0.02 -1.37 0.02 0.00 0.00 0.00 0.00 61.98 60.61 3kyh s VAL 352 Cb -0.06 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.29 3kyh s VAL 352 CO -0.00 -0.42 -0.09 -0.70 0.00 0.00 0.00 175.10 173.88 3kyh s GLU 353 N -2.15 1.04 -0.22 2.72 2.12 0.15 -0.15 118.70 122.21 3kyh s GLU 353 Ca -0.02 -0.30 -0.27 0.00 0.36 0.00 0.00 54.97 54.74 3kyh s GLU 353 Cb -0.07 -0.96 0.11 0.00 0.26 0.00 0.00 34.13 33.47 3kyh s GLU 353 CO 0.01 0.09 0.96 0.00 -0.54 0.00 0.00 175.26 175.77 3kyh s ALA 355 N -0.29 3.12 -0.70 0.00 0.00 -1.26 -4.05 121.76 118.58 3kyh s ALA 355 Ca 0.00 -0.83 -0.25 0.00 0.00 0.00 0.00 51.96 50.87 3kyh s ALA 355 Cb -0.03 -1.43 -0.14 0.00 0.00 0.00 0.00 23.12 21.52 3kyh s ALA 355 CO -0.02 0.47 2.44 1.17 0.00 0.00 0.00 175.76 179.83 3kyh n LYS 356 N 2.58 0.64 -1.84 0.00 4.81 -1.26 -4.19 118.16 118.90 3kyh n LYS 356 Ca -0.18 -0.23 -0.42 0.00 -0.87 0.00 0.00 58.31 56.61 3kyh n LYS 356 Cb 0.53 -2.95 -0.03 0.00 0.02 0.00 0.00 35.03 32.60 3kyh n LYS 356 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3kyh s ASN 357 N 10.21 6.53 0.05 3.14 3.04 -0.89 -4.78 114.94 132.24 3kyh s ASN 357 Ca 1.07 2.57 -0.20 0.00 0.04 0.00 0.00 52.86 56.34 3kyh s ASN 357 Cb -0.41 -2.56 -0.13 0.00 -1.54 0.00 0.00 41.25 36.61 3kyh s ASN 357 CO 0.28 -0.95 1.37 -0.61 -3.04 0.00 0.00 177.10 174.15 3kyh h GLN 358 N 8.81 0.40 -0.20 0.43 5.75 -1.91 0.38 115.11 128.77 3kyh h GLN 358 Ca -0.44 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 57.85 3kyh h GLN 358 Cb 1.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.76 3kyh h GLN 358 CO 0.94 0.76 0.00 -1.91 -2.65 0.00 0.00 178.83 175.97 3kyh n GLU 359 N -4.53 0.29 0.00 1.69 2.13 -1.26 -2.94 120.64 116.03 3kyh n GLU 359 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 3kyh n GLU 359 Cb 0.36 -1.10 0.00 0.00 0.27 0.00 0.00 31.44 30.97 3kyh n GLU 359 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3kyh n THR 360 N 0.08 0.00 0.00 6.31 -2.24 -0.95 -4.99 114.28 112.49 3kyh n THR 360 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3kyh n THR 360 Cb 0.05 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 3kyh n THR 360 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kyh n GLY 361 N 1.53 2.53 3.81 3.38 0.00 0.13 -5.01 105.19 111.56 3kyh n GLY 361 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3kyh n GLY 361 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyh s ALA 362 N -2.33 3.50 -0.48 4.61 0.00 -1.23 -4.74 121.76 121.08 3kyh s ALA 362 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.05 3kyh s ALA 362 Cb 0.00 -2.74 0.13 0.00 0.00 0.00 0.00 23.12 20.51 3kyh s ALA 362 CO 0.00 0.36 0.27 1.67 0.00 0.00 0.00 175.76 178.07 3kyh s TRP 363 N -1.34 3.52 0.18 0.00 -2.14 -1.26 -2.10 118.94 115.80 3kyh s TRP 363 Ca 0.37 -2.60 -0.27 0.00 2.66 0.00 0.00 56.10 56.26 3kyh s TRP 363 Cb -0.18 -3.17 -0.08 0.00 -3.10 0.00 0.00 33.47 26.93 3kyh s TRP 363 CO 0.21 -0.92 0.84 -1.21 -2.66 0.00 0.00 176.95 173.21 3kyh s GLU 364 N 0.66 4.67 0.48 3.25 8.01 -1.26 -4.55 118.70 129.95 3kyh s GLU 364 Ca 0.12 1.28 -0.10 0.00 0.01 0.00 0.00 54.97 56.27 3kyh s GLU 364 Cb -0.22 -3.28 -0.05 0.00 -4.31 0.00 0.00 34.13 26.27 3kyh s GLU 364 CO -0.04 0.53 0.85 0.00 0.01 0.00 0.00 175.26 176.60 3kyh s MET 365 N -1.06 3.71 0.00 1.61 0.23 -1.26 -4.03 119.30 118.50 3kyh s MET 365 Ca 0.38 0.51 0.00 0.00 -1.03 0.00 0.00 55.69 55.55 3kyh s MET 365 Cb -0.24 -2.30 0.00 0.00 -1.53 0.00 0.00 34.83 30.76 3kyh s MET 365 CO 0.28 -0.20 0.14 1.47 -2.03 0.00 0.00 175.02 174.67 3kyh n LEU 366 N -1.84 0.27 -3.63 0.18 -0.00 -1.12 -5.01 117.00 105.85 3kyh n LEU 366 Ca 0.03 -0.42 -0.08 0.00 -0.00 0.00 0.00 56.01 55.54 3kyh n LEU 366 Cb 0.54 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.90 3kyh n LEU 366 CO 0.51 0.07 0.84 0.00 -0.00 0.00 0.00 177.39 178.81 3kyh s ARG 367 N -0.29 0.42 -0.17 1.47 1.70 -1.22 -5.08 118.95 115.78 3kyh s ARG 367 Ca 0.00 0.39 -0.06 0.00 -0.47 0.00 0.00 55.73 55.59 3kyh s ARG 367 Cb 0.00 0.20 -0.04 0.00 -0.57 0.00 0.00 34.95 34.54 3kyh s ARG 367 CO 0.00 -0.07 0.04 -0.06 -1.08 0.00 0.00 175.30 174.13 3kyh s PHE 368 N -0.10 3.20 -0.95 5.89 2.99 -1.26 0.32 117.98 128.07 3kyh s PHE 368 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 56.93 56.95 3kyh s PHE 368 Cb -0.04 -2.04 0.33 0.00 0.00 0.00 0.00 43.02 41.27 3kyh s PHE 368 CO -0.07 0.12 1.85 0.54 -0.00 0.00 0.00 175.22 177.67 3kyh n ARG 369 N 3.48 4.55 -0.25 0.44 5.12 -0.39 -4.63 116.66 124.97 3kyh n ARG 369 Ca -0.17 -4.33 0.23 0.00 -1.93 0.00 0.00 57.85 51.65 3kyh n ARG 369 Cb 0.52 -2.40 0.43 0.00 -1.16 0.00 0.00 32.46 29.85 3kyh n ARG 369 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 3kyh n ASP 370 N -0.22 0.22 0.00 0.55 3.85 -1.26 -0.51 116.55 119.19 3kyh n ASP 370 Ca 0.48 1.30 0.00 0.00 -0.71 0.00 0.00 54.79 55.86 3kyh n ASP 370 Cb 0.26 -0.61 0.00 0.00 -1.35 0.00 0.00 41.12 39.42 3kyh n ASP 370 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3kyh n ASP 371 N -4.81 0.00 -4.16 -1.12 3.85 -1.26 -4.51 116.55 104.54 3kyh n ASP 371 Ca 0.28 0.15 -0.11 0.00 -0.71 0.00 0.00 54.79 54.40 3kyh n ASP 371 Cb 0.95 -0.15 -0.10 0.00 -1.35 0.00 0.00 41.12 40.47 3kyh n ASP 371 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3kyh s LYS 372 N -2.11 0.81 0.03 0.11 1.02 0.33 -5.09 119.74 114.84 3kyh s LYS 372 Ca 0.00 -1.26 -0.28 0.00 0.02 0.00 0.00 55.97 54.45 3kyh s LYS 372 Cb 0.00 -0.25 -0.17 0.00 -0.52 0.00 0.00 37.83 36.89 3kyh s LYS 372 CO 0.00 0.00 1.29 1.25 -0.92 0.00 0.00 175.35 176.97 3kyh h LEU 373 N 3.17 -0.65 0.00 3.17 5.85 -1.82 -3.48 115.31 121.55 3kyh h LEU 373 Ca -0.35 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3kyh h LEU 373 Cb 1.17 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3kyh h LEU 373 CO 0.61 -0.32 0.00 -0.46 -0.34 0.00 0.00 178.44 177.93 3kyh n ASN 374 N -5.34 0.00 0.00 1.25 0.23 -1.26 -4.90 115.26 105.24 3kyh n ASN 374 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.93 3kyh n ASN 374 Cb 0.34 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 3kyh n ASN 374 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kyh n GLY 375 N 0.61 0.54 3.59 4.83 0.00 -1.26 -4.39 105.19 109.11 3kyh n GLY 375 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3kyh n GLY 375 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kyh s ASN 376 N 0.26 -0.29 0.33 1.61 0.02 -1.25 -4.42 114.94 111.20 3kyh s ASN 376 Ca 0.00 0.28 -0.29 0.00 -1.02 0.00 0.00 52.86 51.83 3kyh s ASN 376 Cb 0.00 0.25 -0.11 0.00 0.02 0.00 0.00 41.25 41.40 3kyh s ASN 376 CO 0.00 -0.29 1.54 1.57 0.02 0.00 0.00 177.10 179.94 3kyh n HIS 377 N 0.58 2.90 -0.27 2.20 -0.00 -1.25 -3.03 115.22 116.34 3kyh n HIS 377 Ca -0.08 0.34 0.03 0.00 -0.00 0.00 0.00 57.72 58.01 3kyh n HIS 377 Cb 0.58 -2.56 0.16 0.00 -0.00 0.00 0.00 29.99 28.17 3kyh n HIS 377 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.34 177.49 3kyh h THR 378 N 3.16 0.85 0.33 3.57 2.02 -1.86 -1.45 112.91 119.53 3kyh h THR 378 Ca -0.49 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 3kyh h THR 378 Cb 1.23 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3kyh h THR 378 CO 0.72 0.12 -0.49 0.77 0.37 0.00 0.00 175.52 177.01 3kyh h SER 379 N 0.67 -1.40 -0.25 4.18 4.64 -1.93 0.29 113.55 119.74 3kyh h SER 379 Ca 0.38 0.13 0.07 0.00 -0.47 0.00 0.00 61.79 61.90 3kyh h SER 379 Cb 0.40 0.49 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 3kyh h SER 379 CO -0.27 -0.60 0.45 0.58 -0.87 0.00 0.00 176.83 176.11 3kyh h VAL 380 N -0.87 0.20 0.07 0.95 2.07 -1.77 0.79 116.25 117.68 3kyh h VAL 380 Ca -0.03 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.32 3kyh h VAL 380 Cb 0.81 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3kyh h VAL 380 CO -0.15 0.00 -0.82 0.58 0.02 0.00 0.00 177.57 177.20 3kyh h VAL 381 N 0.00 1.36 -0.22 2.57 2.07 -0.04 -3.35 116.25 118.64 3kyh h VAL 381 Ca 0.12 -2.38 0.02 0.00 0.82 0.00 0.00 66.70 65.27 3kyh h VAL 381 Cb 1.01 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.73 3kyh h VAL 381 CO -0.00 0.61 0.15 -0.61 0.02 0.00 0.00 177.57 177.74 3kyh h GLN 382 N -0.65 0.22 -0.16 1.57 4.15 0.19 0.14 115.11 120.58 3kyh h GLN 382 Ca -0.18 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.20 3kyh h GLN 382 Cb 1.43 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.06 3kyh h GLN 382 CO 0.02 0.15 -0.00 0.87 -1.93 0.00 0.00 178.83 177.93 3kyh h LYS 383 N 0.23 0.22 0.14 1.69 1.79 -1.51 -1.11 116.57 118.02 3kyh h LYS 383 Ca 0.09 -0.03 -0.31 0.00 -2.18 0.00 0.00 60.65 58.21 3kyh h LYS 383 Cb 0.07 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3kyh h LYS 383 CO -0.02 0.25 -1.54 0.28 -1.08 0.00 0.00 179.45 177.34 3kyh h VAL 384 N 0.22 1.15 -0.87 0.50 2.07 -0.93 -3.25 116.25 115.14 3kyh h VAL 384 Ca 0.05 -2.77 0.19 0.00 0.82 0.00 0.00 66.70 65.00 3kyh h VAL 384 Cb 0.16 2.79 -0.11 0.00 -1.52 0.00 0.00 31.29 32.60 3kyh h VAL 384 CO 0.00 0.83 0.40 0.25 0.02 0.00 0.00 177.57 179.07 3kyh h LEU 385 N 0.08 0.39 -0.29 2.57 5.85 -0.88 -2.33 115.31 120.71 3kyh h LEU 385 Ca -0.25 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.67 3kyh h LEU 385 Cb 2.03 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 43.08 3kyh h LEU 385 CO 0.17 0.08 -0.20 -0.08 -0.34 0.00 0.00 178.44 178.07 3kyh h GLU 386 N 0.47 -0.17 0.00 1.25 4.57 -1.24 -3.07 114.58 116.41 3kyh h GLU 386 Ca 0.52 0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.61 3kyh h GLU 386 Cb 0.91 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 3kyh h GLU 386 CO -0.47 -0.11 -0.47 1.03 -1.18 0.00 0.00 179.01 177.81 3kyh h SER 387 N -0.17 0.00 0.37 1.04 0.87 -1.48 -3.27 113.55 110.91 3kyh h SER 387 Ca 0.15 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 3kyh h SER 387 Cb 0.41 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 3kyh h SER 387 CO -0.39 0.47 -0.35 0.40 -0.53 0.00 0.00 176.83 176.43 3kyh h ILE 388 N 0.00 1.22 0.01 2.23 2.04 -1.42 0.20 117.51 121.80 3kyh h ILE 388 Ca -0.00 -1.21 -0.24 0.00 1.00 0.00 0.00 64.86 64.41 3kyh h ILE 388 Cb 1.07 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.77 3kyh h ILE 388 CO 0.06 0.34 -1.19 0.78 0.00 0.00 0.00 178.15 178.14 3kyh h ASN 389 N 0.00 0.04 1.23 1.72 4.21 -1.68 -3.18 115.58 117.93 3kyh h ASN 389 Ca -0.00 -0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.45 3kyh h ASN 389 Cb 0.63 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.82 3kyh h ASN 389 CO 0.05 1.04 0.00 0.47 -1.29 0.00 0.00 177.43 177.70 3kyh n ASP 390 N -3.30 0.43 -4.72 5.81 10.43 -1.01 -4.75 116.55 119.44 3kyh n ASP 390 Ca -0.05 0.54 -0.42 0.00 2.57 0.00 0.00 54.79 57.43 3kyh n ASP 390 Cb 0.97 -0.66 -0.03 0.00 1.84 0.00 0.00 41.12 43.25 3kyh n ASP 390 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3kyh s SER 391 N -3.81 6.53 -0.27 -2.24 1.04 0.69 -4.19 113.70 111.45 3kyh s SER 391 Ca 0.12 2.69 0.01 0.00 0.48 0.00 0.00 55.95 59.24 3kyh s SER 391 Cb 0.15 -2.59 0.08 0.00 0.10 0.00 0.00 66.02 63.75 3kyh s SER 391 CO 0.56 -0.87 0.01 -0.69 0.98 0.00 0.00 173.24 173.22 3kyh s VAL 392 N 1.21 1.43 1.02 5.02 1.01 -1.26 -4.99 120.40 123.83 3kyh s VAL 392 Ca 0.72 -1.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 3kyh s VAL 392 Cb -0.45 -1.86 -0.07 0.00 0.00 0.00 0.00 36.38 34.00 3kyh s VAL 392 CO 0.31 -0.33 -0.59 -0.24 0.00 0.00 0.00 175.10 174.25 3kyh n SER 393 N 4.67 -3.54 -0.23 3.32 2.88 -1.26 -4.79 113.62 114.66 3kyh n SER 393 Ca -0.07 0.09 -0.06 0.00 -1.33 0.00 0.00 58.87 57.51 3kyh n SER 393 Cb 0.43 -0.82 0.09 0.00 -0.75 0.00 0.00 64.21 63.16 3kyh n SER 393 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3kyh h LEU 394 N -1.36 1.01 -0.80 2.46 5.85 -1.99 -2.46 115.31 118.02 3kyh h LEU 394 Ca -0.45 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.01 3kyh h LEU 394 Cb 1.34 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3kyh h LEU 394 CO 0.28 0.95 -0.32 -0.33 -0.34 0.00 0.00 178.44 178.69 3kyh h GLU 395 N 1.03 0.00 0.00 1.25 4.39 -1.97 0.91 114.58 120.19 3kyh h GLU 395 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 3kyh h GLU 395 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3kyh h GLU 395 CO -0.00 0.32 0.00 -0.25 -1.16 0.00 0.00 179.01 177.92 3kyh n ASP 396 N -3.39 0.00 0.00 1.42 8.00 -0.95 -3.66 116.55 117.98 3kyh n ASP 396 Ca 0.01 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.88 3kyh n ASP 396 Cb 0.52 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3kyh n ASP 396 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kyh n LEU 397 N -1.43 0.95 0.00 0.64 4.77 -0.68 -4.60 117.00 116.64 3kyh n LEU 397 Ca 0.04 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.06 3kyh n LEU 397 Cb 0.12 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.45 3kyh n LEU 397 CO 0.10 0.16 0.45 -0.62 -1.33 0.00 0.00 177.39 176.15 3kyh n GLU 398 N -2.14 0.44 0.00 3.23 1.02 0.23 -0.50 120.64 122.91 3kyh n GLU 398 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 3kyh n GLU 398 Cb 0.49 -1.28 -0.11 0.00 -0.02 0.00 0.00 31.44 30.52 3kyh n GLU 398 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3kyh n GLU 399 N -0.78 0.64 0.18 3.49 0.28 -1.24 -4.40 120.64 118.81 3kyh n GLU 399 Ca 0.06 0.09 0.12 0.00 -0.16 0.00 0.00 57.16 57.27 3kyh n GLU 399 Cb 0.03 -1.70 0.14 0.00 1.43 0.00 0.00 31.44 31.34 3kyh n GLU 399 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3kyh h ILE 400 N 0.00 0.00 0.00 3.84 2.04 -1.06 -3.41 117.51 118.91 3kyh h ILE 400 Ca -0.20 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.69 3kyh h ILE 400 Cb 1.58 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 3kyh h ILE 400 CO 0.03 0.00 0.00 0.52 0.00 0.00 0.00 178.15 178.70 3kyh n VAL 401 N -2.95 0.00 0.37 1.67 0.31 -1.21 -0.22 118.33 116.31 3kyh n VAL 401 Ca 0.03 0.26 0.07 0.00 -0.01 0.00 0.00 64.34 64.69 3kyh n VAL 401 Cb 0.53 -0.37 0.33 0.00 -0.91 0.00 0.00 33.84 33.42 3kyh n VAL 401 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kyh n GLY 402 N -0.73 -0.98 0.13 2.92 0.00 -1.26 -2.46 105.19 102.79 3kyh n GLY 402 Ca 0.00 0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 3kyh n GLY 402 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kyh n ASP 403 N -1.74 1.90 0.06 1.61 8.00 0.70 -1.39 116.55 125.69 3kyh n ASP 403 Ca 0.02 0.26 -0.07 0.00 0.71 0.00 0.00 54.79 55.71 3kyh n ASP 403 Cb 0.15 -0.73 0.08 0.00 -0.02 0.00 0.00 41.12 40.60 3kyh n ASP 403 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3kyh h ILE 404 N 0.06 1.37 0.00 0.53 5.03 -1.34 -2.22 117.51 120.94 3kyh h ILE 404 Ca -0.39 -1.97 0.00 0.00 -0.12 0.00 0.00 64.86 62.37 3kyh h ILE 404 Cb 2.03 1.97 0.00 0.00 -3.03 0.00 0.00 36.82 37.80 3kyh h ILE 404 CO 0.09 0.59 0.00 0.50 -0.68 0.00 0.00 178.15 178.65 3kyh h LYS 405 N 0.26 0.00 0.05 2.37 3.64 -1.55 0.12 116.57 121.46 3kyh h LYS 405 Ca -0.01 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.06 3kyh h LYS 405 Cb 1.15 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 3kyh h LYS 405 CO 0.10 0.00 -1.71 -2.13 -2.27 0.00 0.00 179.45 173.45 3kyh n ARG 406 N -2.84 0.65 -0.15 1.90 0.63 -0.49 -4.18 116.66 112.18 3kyh n ARG 406 Ca 0.00 0.41 -0.11 0.00 -0.92 0.00 0.00 57.85 57.23 3kyh n ARG 406 Cb 0.22 -1.70 0.02 0.00 0.45 0.00 0.00 32.46 31.44 3kyh n ARG 406 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kyh h TRP 408 N 0.84 0.26 0.10 0.00 7.01 -0.98 -0.82 115.95 122.36 3kyh h TRP 408 Ca 0.11 -0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 3kyh h TRP 408 Cb 0.78 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.78 3kyh h TRP 408 CO 0.05 0.61 -0.05 -0.44 -2.79 0.00 0.00 178.44 175.82 3kyh h ASP 409 N 0.18 -0.11 -0.99 2.65 3.32 -1.73 -3.25 116.42 116.49 3kyh h ASP 409 Ca 0.02 -0.20 0.32 0.00 0.02 0.00 0.00 57.03 57.19 3kyh h ASP 409 Cb 0.83 0.03 -0.15 0.00 0.22 0.00 0.00 39.33 40.26 3kyh h ASP 409 CO 0.06 0.14 0.52 -0.08 -1.72 0.00 0.00 179.24 178.16 3kyh h GLU 410 N -0.37 0.28 -0.43 3.56 4.81 -1.16 0.19 114.58 121.46 3kyh h GLU 410 Ca -0.01 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3kyh h GLU 410 Cb 0.31 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 3kyh h GLU 410 CO 0.02 0.18 0.15 0.00 -0.73 0.00 0.00 179.01 178.64 3kyh h ARG 411 N 0.28 0.31 -0.06 1.92 3.08 -1.24 0.22 114.38 118.90 3kyh h ARG 411 Ca 0.72 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.77 3kyh h ARG 411 Cb 1.65 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.63 3kyh h ARG 411 CO -0.63 0.21 0.06 -0.09 -1.07 0.00 0.00 179.97 178.44 3kyh h ARG 412 N 0.32 0.00 0.03 0.04 2.43 -0.70 0.18 114.38 116.68 3kyh h ARG 412 Ca 0.20 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 59.01 3kyh h ARG 412 Cb 0.19 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 3kyh h ARG 412 CO -0.20 0.00 -2.20 0.00 -1.51 0.00 0.00 179.97 176.05 3kyh n ALA 413 N -2.40 1.35 0.89 2.80 0.00 -0.95 -4.44 120.51 117.75 3kyh n ALA 413 Ca -0.02 -1.00 0.13 0.00 0.00 0.00 0.00 53.44 52.56 3kyh n ALA 413 Cb 0.15 -0.39 0.50 0.00 0.00 0.00 0.00 19.45 19.72 3kyh n ALA 413 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kyh n ASN 414 N -3.12 0.29 -0.56 0.00 3.02 0.73 -5.12 115.26 110.50 3kyh n ASN 414 Ca -0.34 0.41 0.07 0.00 -0.03 0.00 0.00 54.58 54.69 3kyh n ASN 414 Cb 1.06 -0.45 0.06 0.00 -0.61 0.00 0.00 39.78 39.84 3kyh n ASN 414 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79