#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h4e s ILE 2 N 0.00 3.23 0.27 4.25 1.01 0.25 -0.51 121.20 129.70 3h4e s ILE 2 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.86 3h4e s ILE 2 Cb 0.00 -2.62 -0.06 0.00 0.01 0.00 0.00 42.46 39.79 3h4e s ILE 2 CO 0.00 0.20 -0.08 0.68 0.00 0.00 0.00 174.94 175.74 3h4e s VAL 3 N 1.39 1.76 -0.07 2.92 -7.23 -0.37 -4.80 120.40 114.00 3h4e s VAL 3 Ca 0.02 -2.16 -0.20 0.00 -1.81 0.00 0.00 61.98 57.83 3h4e s VAL 3 Cb -0.16 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 3h4e s VAL 3 CO -0.03 -0.35 0.55 -1.58 -0.31 0.00 0.00 175.10 173.38 3h4e s GLN 4 N -3.69 4.33 0.00 4.82 0.74 -1.26 -0.83 119.66 123.76 3h4e s GLN 4 Ca 0.29 0.60 0.00 0.00 0.05 0.00 0.00 55.36 56.30 3h4e s GLN 4 Cb 0.02 -3.40 0.00 0.00 1.10 0.00 0.00 33.01 30.73 3h4e s GLN 4 CO 0.12 0.22 0.00 0.27 -0.55 0.00 0.00 175.29 175.35 3h4e n ASN 5 N 3.36 0.00 0.10 6.67 0.23 -0.20 -4.95 115.26 120.47 3h4e n ASN 5 Ca -0.06 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 53.84 3h4e n ASN 5 Cb 0.51 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.08 3h4e n ASN 5 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 3h4e h LEU 6 N 0.00 0.37 -0.07 -4.53 8.10 -1.98 -3.22 115.31 113.98 3h4e h LEU 6 Ca 0.00 -0.40 0.00 0.00 0.11 0.00 0.00 57.88 57.59 3h4e h LEU 6 Cb 0.00 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.10 3h4e h LEU 6 CO 0.00 1.32 0.00 0.00 -4.11 0.00 0.00 178.44 175.65 3h4e n GLN 7 N -3.51 1.04 -0.89 0.17 -0.00 -1.26 -4.88 117.38 108.05 3h4e n GLN 7 Ca -0.08 -0.07 0.00 0.00 -0.00 0.00 0.00 57.00 56.86 3h4e n GLN 7 Cb 1.02 -1.25 0.00 0.00 -0.00 0.00 0.00 30.24 30.01 3h4e n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3h4e n GLY 8 N 0.76 0.61 3.83 2.61 0.00 -1.22 -5.05 105.19 106.75 3h4e n GLY 8 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3h4e n GLY 8 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3h4e s GLN 9 N -0.11 4.10 -0.21 1.61 0.00 -1.26 -4.79 119.66 119.00 3h4e s GLN 9 Ca 0.00 0.68 -0.23 0.00 -0.00 0.00 0.00 55.36 55.80 3h4e s GLN 9 Cb 0.00 -2.85 -0.01 0.00 0.00 0.00 0.00 33.01 30.15 3h4e s GLN 9 CO 0.00 0.40 0.77 -1.64 0.00 0.00 0.00 175.29 174.82 3h4e s MET 10 N -2.10 4.21 0.06 9.60 -1.94 -1.26 -1.03 119.30 126.84 3h4e s MET 10 Ca 0.42 0.85 -0.03 0.00 -1.71 0.00 0.00 55.69 55.22 3h4e s MET 10 Cb -0.15 -3.61 -0.03 0.00 2.01 0.00 0.00 34.83 33.05 3h4e s MET 10 CO 0.20 -0.39 0.04 0.14 -0.01 0.00 0.00 175.02 174.99 3h4e s VAL 11 N 2.41 0.19 0.27 -6.03 -7.23 -0.01 -4.96 120.40 105.04 3h4e s VAL 11 Ca 0.34 -1.58 -0.24 0.00 -1.81 0.00 0.00 61.98 58.69 3h4e s VAL 11 Cb -0.16 -1.42 -0.09 0.00 0.56 0.00 0.00 36.38 35.27 3h4e s VAL 11 CO 0.10 -0.87 0.85 -2.28 -0.31 0.00 0.00 175.10 172.59 3h4e s HIS 12 N -3.81 3.71 -0.01 2.82 5.65 -1.26 -1.23 115.29 121.16 3h4e s HIS 12 Ca 0.06 1.64 -0.00 0.00 0.25 0.00 0.00 55.06 57.00 3h4e s HIS 12 Cb 0.06 -2.81 0.01 0.00 -1.18 0.00 0.00 32.58 28.66 3h4e s HIS 12 CO -0.10 0.29 0.02 -1.14 -0.65 0.00 0.00 174.74 173.16 3h4e s GLN 13 N -1.91 0.01 0.47 2.88 0.74 0.33 -4.93 119.66 117.26 3h4e s GLN 13 Ca 0.46 0.05 -0.24 0.00 0.05 0.00 0.00 55.36 55.67 3h4e s GLN 13 Cb -0.19 -0.03 -0.07 0.00 1.10 0.00 0.00 33.01 33.82 3h4e s GLN 13 CO 0.23 -0.03 1.38 0.00 -0.55 0.00 0.00 175.29 176.33 3h4e s ILE 15 N -1.25 2.95 0.34 0.00 2.07 -1.26 -4.56 121.20 119.49 3h4e s ILE 15 Ca 0.64 0.78 -0.13 0.00 -1.41 0.00 0.00 60.65 60.53 3h4e s ILE 15 Cb -0.42 -3.50 -0.08 0.00 0.13 0.00 0.00 42.46 38.59 3h4e s ILE 15 CO 0.52 0.11 0.74 -0.94 -1.91 0.00 0.00 174.94 173.46 3h4e s SER 16 N 0.43 6.69 0.47 4.50 1.04 -1.26 -4.94 113.70 120.63 3h4e s SER 16 Ca 0.59 1.22 0.21 0.00 0.48 0.00 0.00 55.95 58.45 3h4e s SER 16 Cb -0.39 -2.35 1.22 0.00 0.10 0.00 0.00 66.02 64.60 3h4e s SER 16 CO 0.40 -0.26 1.92 -0.65 0.98 0.00 0.00 173.24 175.63 3h4e h PRO 17 N 1.97 0.23 -0.06 4.02 0.11 -1.99 -0.97 132.00 135.32 3h4e h PRO 17 Ca -0.48 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3h4e h PRO 17 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3h4e h PRO 17 CO 0.65 0.15 -0.12 -0.09 -0.21 0.00 0.00 178.00 178.39 3h4e h ARG 18 N 0.24 0.19 -0.13 1.05 2.43 -1.99 -1.92 114.38 114.25 3h4e h ARG 18 Ca 0.37 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 59.44 3h4e h ARG 18 Cb 1.11 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 3h4e h ARG 18 CO -0.08 0.70 0.02 1.15 -1.51 0.00 0.00 179.97 180.25 3h4e h THR 19 N -0.31 0.94 -0.51 0.20 2.02 -1.79 -0.74 112.91 112.73 3h4e h THR 19 Ca 0.00 -0.03 0.09 0.00 0.77 0.00 0.00 66.41 67.25 3h4e h THR 19 Cb 0.69 0.86 -0.08 0.00 -1.74 0.00 0.00 68.15 67.89 3h4e h THR 19 CO 0.03 0.01 0.07 -0.07 0.37 0.00 0.00 175.52 175.93 3h4e h LEU 20 N 0.08 -0.07 -0.31 2.58 3.38 -1.20 -2.22 115.31 117.54 3h4e h LEU 20 Ca 0.06 0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 3h4e h LEU 20 Cb 0.05 0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3h4e h LEU 20 CO -0.08 -0.01 -0.54 -1.13 0.09 0.00 0.00 178.44 176.77 3h4e h ASN 21 N 0.20 0.97 -0.53 -0.43 -1.24 -1.22 -2.69 115.58 110.65 3h4e h ASN 21 Ca 0.26 -0.52 0.03 0.00 0.71 0.00 0.00 56.30 56.78 3h4e h ASN 21 Cb 0.37 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 39.11 3h4e h ASN 21 CO -0.37 1.32 0.31 0.00 -1.29 0.00 0.00 177.43 177.40 3h4e h ALA 22 N 0.70 0.68 -0.11 1.57 0.00 -0.83 -0.79 119.26 120.47 3h4e h ALA 22 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3h4e h ALA 22 Cb 1.15 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3h4e h ALA 22 CO 0.12 0.01 0.01 2.35 0.00 0.00 0.00 179.25 181.73 3h4e h TRP 23 N 0.61 0.21 -0.96 0.00 2.91 -1.41 -1.55 115.95 115.76 3h4e h TRP 23 Ca 0.22 -0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.24 3h4e h TRP 23 Cb 0.04 -0.05 -0.06 0.00 -0.51 0.00 0.00 29.16 28.58 3h4e h TRP 23 CO -0.07 0.42 0.62 0.28 -1.03 0.00 0.00 178.44 178.66 3h4e h VAL 24 N -0.07 1.16 -0.36 2.65 2.07 -1.34 -2.66 116.25 117.70 3h4e h VAL 24 Ca 0.03 -0.41 -0.14 0.00 0.82 0.00 0.00 66.70 67.00 3h4e h VAL 24 Cb 0.34 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 3h4e h VAL 24 CO 0.00 0.22 -0.34 0.11 0.02 0.00 0.00 177.57 177.58 3h4e h LYS 25 N 1.20 0.82 -0.36 1.57 1.79 -1.00 -2.08 116.57 118.50 3h4e h LYS 25 Ca 0.38 -0.40 0.03 0.00 -2.18 0.00 0.00 60.65 58.48 3h4e h LYS 25 Cb 0.01 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 3h4e h LYS 25 CO -0.12 1.03 0.18 0.28 -1.08 0.00 0.00 179.45 179.73 3h4e h VAL 26 N 0.68 0.97 -0.67 0.50 2.07 -1.05 0.63 116.25 119.38 3h4e h VAL 26 Ca 0.07 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 3h4e h VAL 26 Cb 0.89 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3h4e h VAL 26 CO 0.08 0.07 0.14 0.58 0.02 0.00 0.00 177.57 178.45 3h4e h VAL 27 N 0.36 1.26 -0.55 2.57 2.07 -1.37 0.12 116.25 120.72 3h4e h VAL 27 Ca 0.15 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 3h4e h VAL 27 Cb 0.07 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3h4e h VAL 27 CO -0.11 0.38 0.20 -0.33 0.02 0.00 0.00 177.57 177.73 3h4e h GLU 28 N 1.03 0.80 0.02 1.57 5.08 -0.87 -1.36 114.58 120.85 3h4e h GLU 28 Ca 0.21 -0.13 -0.32 0.00 -1.00 0.00 0.00 59.36 58.12 3h4e h GLU 28 Cb 0.41 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 3h4e h GLU 28 CO 0.01 0.67 -1.87 0.39 -1.00 0.00 0.00 179.01 177.21 3h4e n GLU 29 N -4.32 0.66 0.00 2.33 1.02 0.17 -4.52 120.64 115.98 3h4e n GLU 29 Ca 0.04 0.25 0.01 0.00 -0.02 0.00 0.00 57.16 57.44 3h4e n GLU 29 Cb 0.18 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 3h4e n GLU 29 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3h4e n LYS 30 N -3.08 1.47 0.00 3.49 4.76 0.38 -5.07 118.16 120.12 3h4e n LYS 30 Ca -0.22 -0.45 0.00 0.00 -2.87 0.00 0.00 58.31 54.77 3h4e n LYS 30 Cb 1.06 -0.91 0.00 0.00 -1.84 0.00 0.00 35.03 33.34 3h4e n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h4e n ALA 31 N -0.23 0.00 -1.75 7.82 0.00 -0.51 -1.94 120.51 123.90 3h4e n ALA 31 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 3h4e n ALA 31 Cb 0.05 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.64 3h4e n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h4e n PHE 32 N 12.72 1.17 -1.61 0.00 3.72 -1.26 -4.74 117.46 127.47 3h4e n PHE 32 Ca 0.00 -1.81 -0.41 0.00 -0.05 0.00 0.00 57.45 55.18 3h4e n PHE 32 Cb 0.00 -0.31 0.02 0.00 -0.94 0.00 0.00 39.48 38.24 3h4e n PHE 32 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3h4e n SER 33 N -0.96 1.13 -0.22 4.37 2.88 -0.82 -4.53 113.62 115.47 3h4e n SER 33 Ca 0.30 1.00 0.15 0.00 -1.33 0.00 0.00 58.87 58.99 3h4e n SER 33 Cb 0.82 -1.35 0.46 0.00 -0.75 0.00 0.00 64.21 63.39 3h4e n SER 33 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3h4e h PRO 34 N 1.38 0.49 0.00 -1.46 0.11 -1.92 -1.62 132.00 128.98 3h4e h PRO 34 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3h4e h PRO 34 Cb 1.34 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3h4e h PRO 34 CO 0.56 0.33 0.00 -0.85 -0.21 0.00 0.00 178.00 177.82 3h4e n GLU 35 N -4.51 0.07 0.25 1.05 0.00 -1.26 -2.18 120.64 114.06 3h4e n GLU 35 Ca 0.16 0.33 0.11 0.00 0.00 0.00 0.00 57.16 57.76 3h4e n GLU 35 Cb 0.55 -1.64 0.68 0.00 0.00 0.00 0.00 31.44 31.03 3h4e n GLU 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3h4e h VAL 36 N 0.00 0.69 -0.00 3.84 2.07 -1.64 -3.04 116.25 118.17 3h4e h VAL 36 Ca 0.00 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 3h4e h VAL 36 Cb 0.28 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3h4e h VAL 36 CO 0.00 0.13 -0.00 0.40 0.02 0.00 0.00 177.57 178.12 3h4e h ILE 37 N 0.00 1.62 -0.43 4.57 2.04 -1.65 -1.18 117.51 122.49 3h4e h ILE 37 Ca -0.00 -1.84 0.10 0.00 1.00 0.00 0.00 64.86 64.11 3h4e h ILE 37 Cb 0.33 2.88 -0.02 0.00 -0.74 0.00 0.00 36.82 39.26 3h4e h ILE 37 CO 0.02 0.48 0.30 -0.65 0.00 0.00 0.00 178.15 178.29 3h4e h PRO 38 N -0.78 0.15 -0.40 2.37 0.11 -1.75 -0.92 132.00 130.79 3h4e h PRO 38 Ca -0.00 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.95 3h4e h PRO 38 Cb 0.79 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 3h4e h PRO 38 CO 0.00 0.10 -0.34 1.98 -0.21 0.00 0.00 178.00 179.53 3h4e h MET 39 N 0.16 0.93 -0.31 1.05 4.05 -1.45 -2.32 114.93 117.04 3h4e h MET 39 Ca 0.20 -0.47 -0.02 0.00 -0.28 0.00 0.00 59.70 59.13 3h4e h MET 39 Cb 0.59 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 3h4e h MET 39 CO -0.03 1.13 0.11 0.35 0.23 0.00 0.00 176.91 178.70 3h4e h PHE 40 N 0.75 0.49 -0.86 1.39 3.57 -0.46 -1.25 116.94 120.57 3h4e h PHE 40 Ca 0.07 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.58 3h4e h PHE 40 Cb 0.93 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.47 3h4e h PHE 40 CO 0.06 0.48 0.56 1.03 -2.23 0.00 0.00 178.31 178.22 3h4e h SER 41 N 0.35 0.87 0.02 0.41 0.87 -1.14 -2.15 113.55 112.78 3h4e h SER 41 Ca 0.10 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.55 3h4e h SER 41 Cb 0.21 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3h4e h SER 41 CO -0.01 0.57 -0.47 0.00 -0.53 0.00 0.00 176.83 176.40 3h4e h ALA 42 N 1.52 0.03 0.00 6.23 0.00 -1.26 -3.20 119.26 122.58 3h4e h ALA 42 Ca 0.36 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3h4e h ALA 42 Cb 0.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3h4e h ALA 42 CO -0.12 0.24 0.00 -0.07 0.00 0.00 0.00 179.25 179.29 3h4e h LEU 43 N -0.34 0.00 -3.32 0.00 3.38 -1.06 -2.26 115.31 111.71 3h4e h LEU 43 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3h4e h LEU 43 Cb 1.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3h4e h LEU 43 CO 0.09 0.00 0.01 -1.54 0.09 0.00 0.00 178.44 177.09 3h4e n SER 44 N -2.72 3.91 -4.68 -0.43 3.41 -0.82 -5.00 113.62 107.29 3h4e n SER 44 Ca -0.02 -3.11 -0.45 0.00 -0.26 0.00 0.00 58.87 55.03 3h4e n SER 44 Cb 0.08 -0.58 -0.04 0.00 -0.26 0.00 0.00 64.21 63.41 3h4e n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h4e n GLY 46 N 4.17 0.65 3.77 0.00 0.00 -1.26 -4.85 105.19 107.67 3h4e n GLY 46 Ca 0.20 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 3h4e n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4e s ALA 47 N -2.07 3.23 0.47 4.61 0.00 -0.54 -0.59 121.76 126.87 3h4e s ALA 47 Ca 0.00 0.82 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 3h4e s ALA 47 Cb 0.00 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 3h4e s ALA 47 CO 0.00 -0.24 0.84 0.95 0.00 0.00 0.00 175.76 177.31 3h4e s THR 48 N -1.41 4.78 0.32 0.00 -4.23 -1.26 -4.35 115.64 109.48 3h4e s THR 48 Ca 0.52 0.62 0.10 0.00 -1.18 0.00 0.00 61.69 61.75 3h4e s THR 48 Cb -0.27 -3.79 0.31 0.00 1.34 0.00 0.00 72.50 70.09 3h4e s THR 48 CO 0.35 -0.72 1.71 -0.65 -0.54 0.00 0.00 174.62 174.77 3h4e h PRO 49 N 0.71 0.48 -0.29 3.99 0.11 -1.85 0.26 132.00 135.41 3h4e h PRO 49 Ca -0.47 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3h4e h PRO 49 Cb 1.19 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 3h4e h PRO 49 CO 0.63 0.32 0.10 0.37 -0.21 0.00 0.00 178.00 179.21 3h4e h GLN 50 N 0.50 0.22 -0.52 1.05 4.15 -1.90 -1.33 115.11 117.29 3h4e h GLN 50 Ca 0.65 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 60.06 3h4e h GLN 50 Cb 1.30 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.92 3h4e h GLN 50 CO -0.52 0.15 0.34 -0.44 -1.93 0.00 0.00 178.83 176.43 3h4e h ASP 51 N 0.23 0.59 -0.55 -0.69 3.32 -0.94 -0.67 116.42 117.72 3h4e h ASP 51 Ca 0.13 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.20 3h4e h ASP 51 Cb 0.10 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 3h4e h ASP 51 CO -0.13 0.43 0.30 -0.07 -1.72 0.00 0.00 179.24 178.05 3h4e h LEU 52 N 0.70 0.45 -1.12 1.55 3.38 -0.87 -1.63 115.31 117.76 3h4e h LEU 52 Ca 0.19 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 3h4e h LEU 52 Cb -0.08 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3h4e h LEU 52 CO -0.04 0.31 0.00 0.78 0.09 0.00 0.00 178.44 179.58 3h4e h ASN 53 N 0.58 0.58 -0.11 -0.43 2.35 -0.78 -1.83 115.58 115.94 3h4e h ASN 53 Ca 0.24 -0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3h4e h ASN 53 Cb 0.12 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3h4e h ASN 53 CO -0.15 0.65 0.01 0.74 -1.65 0.00 0.00 177.43 177.03 3h4e h THR 54 N 0.58 0.93 -0.65 2.81 2.02 -0.62 0.06 112.91 118.05 3h4e h THR 54 Ca 0.12 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 3h4e h THR 54 Cb 0.37 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3h4e h THR 54 CO 0.01 0.01 0.37 0.24 0.37 0.00 0.00 175.52 176.52 3h4e h MET 55 N 0.05 0.89 -0.19 6.66 2.86 -0.91 -1.58 114.93 122.72 3h4e h MET 55 Ca 0.05 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 3h4e h MET 55 Cb 0.05 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3h4e h MET 55 CO -0.08 0.66 0.01 -0.07 1.06 0.00 0.00 176.91 178.50 3h4e h LEU 56 N 0.88 0.31 -0.47 1.22 3.38 -1.18 -3.20 115.31 116.25 3h4e h LEU 56 Ca 0.23 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3h4e h LEU 56 Cb 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3h4e h LEU 56 CO -0.04 0.52 0.00 0.59 0.09 0.00 0.00 178.44 179.60 3h4e n ASN 57 N -4.73 0.64 0.01 -0.43 3.02 -0.01 -2.27 115.26 111.50 3h4e n ASN 57 Ca -0.05 0.63 0.14 0.00 -0.03 0.00 0.00 54.58 55.27 3h4e n ASN 57 Cb 0.21 -0.78 0.57 0.00 -0.61 0.00 0.00 39.78 39.17 3h4e n ASN 57 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3h4e n THR 58 N -2.18 0.06 -2.35 3.41 -2.24 -0.62 -4.77 114.28 105.59 3h4e n THR 58 Ca 0.03 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 3h4e n THR 58 Cb 0.28 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 3h4e n THR 58 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h4e s VAL 59 N -3.01 3.85 -0.20 2.28 1.01 -0.96 -4.97 120.40 118.41 3h4e s VAL 59 Ca 0.13 1.32 -0.12 0.00 0.00 0.00 0.00 61.98 63.32 3h4e s VAL 59 Cb 0.18 -3.84 -0.20 0.00 0.00 0.00 0.00 36.38 32.52 3h4e s VAL 59 CO 0.55 0.09 0.10 0.61 0.00 0.00 0.00 175.10 176.44 3h4e n GLY 60 N 3.33 -0.60 0.00 4.51 0.00 -1.26 -4.99 105.19 106.18 3h4e n GLY 60 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3h4e n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h4e n GLY 61 N 1.72 1.48 3.68 -0.02 0.00 -1.26 -4.72 105.19 106.08 3h4e n GLY 61 Ca -0.38 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 43.61 3h4e n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h4e n HIS 62 N 0.00 -1.72 0.22 1.61 8.25 -1.26 -4.81 115.22 117.51 3h4e n HIS 62 Ca 0.00 0.55 0.06 0.00 -0.26 0.00 0.00 57.72 58.08 3h4e n HIS 62 Cb 0.00 -2.65 0.52 0.00 1.12 0.00 0.00 29.99 28.98 3h4e n HIS 62 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3h4e h GLN 63 N -1.03 0.00 -0.05 -0.41 1.08 -1.95 -0.79 115.11 111.96 3h4e h GLN 63 Ca -0.46 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 56.76 3h4e h GLN 63 Cb 1.30 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.71 3h4e h GLN 63 CO 0.60 0.22 -0.07 0.00 -0.95 0.00 0.00 178.83 178.64 3h4e h ALA 64 N 1.78 -0.03 -0.76 3.87 0.00 -1.99 0.86 119.26 122.98 3h4e h ALA 64 Ca -0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3h4e h ALA 64 Cb 0.44 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3h4e h ALA 64 CO 0.03 -0.55 0.34 0.00 0.00 0.00 0.00 179.25 179.07 3h4e h ALA 65 N 0.94 0.98 -0.35 0.00 0.00 -1.71 -1.41 119.26 117.71 3h4e h ALA 65 Ca 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3h4e h ALA 65 Cb 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3h4e h ALA 65 CO -0.11 0.57 0.07 0.52 0.00 0.00 0.00 179.25 180.31 3h4e h MET 66 N 1.08 0.51 -0.18 0.00 2.07 -0.89 -0.66 114.93 116.86 3h4e h MET 66 Ca 0.26 -0.09 -0.17 0.00 -2.07 0.00 0.00 59.70 57.63 3h4e h MET 66 Cb 0.16 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 29.81 3h4e h MET 66 CO -0.03 0.49 -0.56 0.37 1.07 0.00 0.00 176.91 178.25 3h4e h GLN 67 N 0.51 0.70 -0.74 1.72 5.75 -0.39 -2.10 115.11 120.56 3h4e h GLN 67 Ca 0.12 -0.51 0.04 0.00 -0.15 0.00 0.00 58.65 58.15 3h4e h GLN 67 Cb 0.22 0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.81 3h4e h GLN 67 CO -0.00 1.13 0.46 0.52 -2.65 0.00 0.00 178.83 178.28 3h4e h MET 68 N 0.40 0.85 -0.89 1.69 2.86 -0.88 -2.13 114.93 116.84 3h4e h MET 68 Ca -0.02 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3h4e h MET 68 Cb 1.18 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.60 3h4e h MET 68 CO 0.12 0.56 0.51 1.25 1.06 0.00 0.00 176.91 180.42 3h4e h LEU 69 N 0.88 1.09 -0.15 1.22 5.85 -1.04 -0.14 115.31 123.02 3h4e h LEU 69 Ca 0.30 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.98 3h4e h LEU 69 Cb 0.06 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3h4e h LEU 69 CO -0.13 0.85 -0.09 0.50 -0.34 0.00 0.00 178.44 179.24 3h4e h LYS 70 N 1.24 -0.08 -0.45 1.25 3.64 -0.94 -1.06 116.57 120.17 3h4e h LYS 70 Ca 0.32 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.73 3h4e h LYS 70 Cb -0.02 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3h4e h LYS 70 CO -0.06 -0.05 0.26 0.93 -2.27 0.00 0.00 179.45 178.26 3h4e h GLU 71 N -0.08 0.50 -0.35 1.90 5.08 -0.61 -1.05 114.58 119.96 3h4e h GLU 71 Ca 0.09 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3h4e h GLU 71 Cb 0.21 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3h4e h GLU 71 CO -0.20 0.33 0.14 1.15 -1.00 0.00 0.00 179.01 179.43 3h4e h THR 72 N 0.52 0.93 -0.56 1.13 2.02 -0.84 -1.20 112.91 114.91 3h4e h THR 72 Ca 0.18 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.33 3h4e h THR 72 Cb 0.03 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 66.98 3h4e h THR 72 CO -0.09 0.05 0.23 0.40 0.37 0.00 0.00 175.52 176.49 3h4e h ILE 73 N 0.30 0.85 -0.90 3.11 2.04 -0.76 -1.76 117.51 120.39 3h4e h ILE 73 Ca 0.16 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.88 3h4e h ILE 73 Cb 0.11 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 3h4e h ILE 73 CO -0.14 0.08 0.59 0.78 0.00 0.00 0.00 178.15 179.46 3h4e h ASN 74 N 0.44 1.01 0.04 1.72 2.35 -0.56 -0.56 115.58 120.03 3h4e h ASN 74 Ca 0.27 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 3h4e h ASN 74 Cb 0.26 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3h4e h ASN 74 CO -0.24 0.72 -0.06 -0.33 -1.65 0.00 0.00 177.43 175.86 3h4e h GLU 75 N 1.19 -0.13 -0.72 0.81 5.08 -0.72 -1.31 114.58 118.78 3h4e h GLU 75 Ca 0.34 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 3h4e h GLU 75 Cb -0.08 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 3h4e h GLU 75 CO -0.09 -0.09 0.43 0.93 -1.00 0.00 0.00 179.01 179.19 3h4e h GLU 76 N -0.13 0.98 -0.41 2.33 4.39 -1.00 -0.26 114.58 120.47 3h4e h GLU 76 Ca 0.01 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 3h4e h GLU 76 Cb 0.14 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3h4e h GLU 76 CO -0.03 0.69 -0.00 0.00 -1.16 0.00 0.00 179.01 178.50 3h4e h ALA 77 N 1.47 0.56 -0.60 3.43 0.00 -0.83 0.20 119.26 123.48 3h4e h ALA 77 Ca 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3h4e h ALA 77 Cb -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3h4e h ALA 77 CO -0.05 0.34 0.34 0.00 0.00 0.00 0.00 179.25 179.89 3h4e h ALA 78 N 0.89 0.77 -0.60 0.00 0.00 -0.85 -0.36 119.26 119.12 3h4e h ALA 78 Ca 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3h4e h ALA 78 Cb 0.49 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3h4e h ALA 78 CO 0.02 0.28 0.24 1.49 0.00 0.00 0.00 179.25 181.28 3h4e h GLU 79 N 0.82 0.87 -0.16 0.00 4.57 -0.79 -0.14 114.58 119.74 3h4e h GLU 79 Ca 0.21 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 3h4e h GLU 79 Cb 0.02 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 3h4e h GLU 79 CO -0.04 0.71 0.05 2.35 -1.18 0.00 0.00 179.01 180.90 3h4e h TRP 80 N 0.86 0.25 -0.96 0.92 2.91 -0.47 -2.21 115.95 117.25 3h4e h TRP 80 Ca 0.20 -0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.24 3h4e h TRP 80 Cb 0.17 -0.07 -0.06 0.00 -0.51 0.00 0.00 29.16 28.69 3h4e h TRP 80 CO 0.01 0.34 0.63 -0.44 -1.03 0.00 0.00 178.44 177.96 3h4e h ASP 81 N 0.08 1.03 -0.76 2.65 3.32 -0.64 -1.77 116.42 120.33 3h4e h ASP 81 Ca 0.05 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.13 3h4e h ASP 81 Cb 0.21 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 3h4e h ASP 81 CO -0.00 0.69 0.48 -0.09 -1.72 0.00 0.00 179.24 178.60 3h4e h ARG 82 N 1.19 0.90 -0.00 3.56 2.43 -0.79 -2.27 114.38 119.39 3h4e h ARG 82 Ca 0.39 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 3h4e h ARG 82 Cb 0.06 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3h4e h ARG 82 CO -0.13 0.59 -0.03 1.28 -1.51 0.00 0.00 179.97 180.17 3h4e n LEU 83 N -4.63 0.46 -3.52 3.80 4.77 -0.79 -4.51 117.00 112.57 3h4e n LEU 83 Ca 0.09 -0.08 -0.27 0.00 -0.03 0.00 0.00 56.01 55.72 3h4e n LEU 83 Cb 0.10 -0.08 -0.14 0.00 -2.33 0.00 0.00 43.42 40.96 3h4e n LEU 83 CO 0.33 0.08 -0.30 -1.00 -1.33 0.00 0.00 177.39 175.17 3h4e s HIS 84 N -2.20 0.18 0.00 -1.77 3.76 -0.73 -5.08 115.29 109.44 3h4e s HIS 84 Ca 0.38 -0.71 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 3h4e s HIS 84 Cb 0.21 -0.81 0.00 0.00 1.11 0.00 0.00 32.58 33.09 3h4e s HIS 84 CO 0.40 -0.82 0.00 -2.30 -0.85 0.00 0.00 174.74 171.17 3h4e n PRO 85 N 5.26 0.91 -5.08 8.40 -0.02 -1.25 -4.65 135.00 138.57 3h4e n PRO 85 Ca -0.05 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.10 3h4e n PRO 85 Cb 0.43 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.75 3h4e n PRO 85 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3h4e s VAL 86 N 0.42 2.40 0.00 -1.45 -7.23 -1.26 -5.15 120.40 108.14 3h4e s VAL 86 Ca 0.00 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 3h4e s VAL 86 Cb 0.00 -1.94 0.00 0.00 0.56 0.00 0.00 36.38 35.00 3h4e s VAL 86 CO 0.00 0.55 0.00 0.00 -0.31 0.00 0.00 175.10 175.34 3h4e n HIS 87 N 3.32 0.00 0.00 2.82 1.44 -1.26 -5.32 115.22 116.22 3h4e n HIS 87 Ca -0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 3h4e n HIS 87 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 3h4e n HIS 87 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 3h4e n PRO 93 N -0.08 0.00 0.00 -1.40 -0.02 -1.26 -5.36 135.00 126.89 3h4e n PRO 93 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3h4e n PRO 93 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3h4e n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h4e n GLY 94 N 0.00 1.50 3.49 -1.23 0.00 -1.26 -5.15 105.19 102.54 3h4e n GLY 94 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3h4e n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3h4e s GLN 95 N 0.00 1.69 0.12 1.61 -2.07 -1.26 -5.12 119.66 114.63 3h4e s GLN 95 Ca 0.00 -1.88 -0.27 0.00 -1.82 0.00 0.00 55.36 51.40 3h4e s GLN 95 Cb 0.00 -1.41 -0.07 0.00 -1.09 0.00 0.00 33.01 30.45 3h4e s GLN 95 CO 0.00 0.07 0.84 1.41 -1.32 0.00 0.00 175.29 176.28 3h4e s MET 96 N -3.68 4.61 0.28 9.60 -2.45 -1.26 -5.02 119.30 121.38 3h4e s MET 96 Ca 0.31 1.24 -0.30 0.00 -1.25 0.00 0.00 55.69 55.69 3h4e s MET 96 Cb 0.04 -3.33 -0.11 0.00 1.25 0.00 0.00 34.83 32.68 3h4e s MET 96 CO 0.14 0.37 1.55 0.50 1.05 0.00 0.00 175.02 178.64 3h4e s ARG 97 N -0.48 4.16 0.16 4.11 3.52 -1.26 -5.02 118.95 124.14 3h4e s ARG 97 Ca 0.40 2.51 0.01 0.00 -0.13 0.00 0.00 55.73 58.52 3h4e s ARG 97 Cb -0.23 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 3h4e s ARG 97 CO 0.27 -0.58 0.32 -1.21 -0.81 0.00 0.00 175.30 173.29 3h4e s GLU 98 N -0.49 3.48 0.27 5.12 2.02 -1.26 -5.07 118.70 122.77 3h4e s GLU 98 Ca 0.62 -0.47 -0.29 0.00 0.02 0.00 0.00 54.97 54.85 3h4e s GLU 98 Cb -0.46 -2.92 -0.09 0.00 0.10 0.00 0.00 34.13 30.75 3h4e s GLU 98 CO 0.47 0.48 1.22 -2.14 0.02 0.00 0.00 175.26 175.31 3h4e s PRO 99 N -3.17 4.48 0.90 0.39 0.02 -1.26 -5.06 135.00 131.31 3h4e s PRO 99 Ca 0.36 2.00 -0.12 0.00 0.02 0.00 0.00 61.00 63.26 3h4e s PRO 99 Cb -0.11 -3.16 0.18 0.00 0.02 0.00 0.00 34.50 31.43 3h4e s PRO 99 CO 0.28 -0.04 1.24 1.03 -0.33 0.00 0.00 177.00 179.19 3h4e s ARG 100 N -1.19 0.93 0.15 5.54 1.81 -1.26 -4.93 118.95 120.01 3h4e s ARG 100 Ca 0.49 -0.56 -0.15 0.00 -1.72 0.00 0.00 55.73 53.79 3h4e s ARG 100 Cb -0.35 -1.96 0.03 0.00 -0.45 0.00 0.00 34.95 32.21 3h4e s ARG 100 CO 0.44 -2.16 1.78 0.78 -0.68 0.00 0.00 175.30 175.46 3h4e h GLY 101 N -1.36 0.67 2.00 -3.53 0.00 -1.92 -2.13 103.07 96.80 3h4e h GLY 101 Ca -0.43 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.62 3h4e h GLY 101 CO 0.39 0.28 0.00 -1.14 0.00 0.00 0.00 176.54 176.07 3h4e n SER 102 N -4.71 0.70 0.01 0.19 3.41 -1.26 -2.12 113.62 109.84 3h4e n SER 102 Ca 0.01 0.63 -0.19 0.00 -0.26 0.00 0.00 58.87 59.07 3h4e n SER 102 Cb 0.06 -0.80 -0.10 0.00 -0.26 0.00 0.00 64.21 63.12 3h4e n SER 102 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3h4e h ASP 103 N 0.00 0.84 0.14 4.04 3.32 -1.72 -0.17 116.42 122.87 3h4e h ASP 103 Ca 0.00 -0.71 -0.09 0.00 0.02 0.00 0.00 57.03 56.25 3h4e h ASP 103 Cb 0.48 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3h4e h ASP 103 CO 0.00 1.43 -0.33 0.40 -1.72 0.00 0.00 179.24 179.03 3h4e h ILE 104 N 0.33 1.28 -0.04 0.35 2.04 -1.03 -2.10 117.51 118.34 3h4e h ILE 104 Ca -0.10 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.44 3h4e h ILE 104 Cb 1.53 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 3h4e h ILE 104 CO 0.17 0.40 0.00 0.00 0.00 0.00 0.00 178.15 178.73 3h4e n ALA 105 N -2.48 2.61 -1.24 1.87 0.00 -0.90 -4.63 120.51 115.73 3h4e n ALA 105 Ca -0.01 -0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.06 3h4e n ALA 105 Cb 0.42 -1.29 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 3h4e n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h4e n GLY 106 N 0.99 1.01 0.11 0.00 0.00 -0.79 -4.88 105.19 101.63 3h4e n GLY 106 Ca 0.18 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.53 3h4e n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h4e h THR 107 N 0.00 0.97 0.00 2.61 2.02 -1.28 -3.39 112.91 113.84 3h4e h THR 107 Ca -0.17 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 64.33 3h4e h THR 107 Cb 0.61 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 3h4e h THR 107 CO 0.25 0.77 -0.05 0.35 0.37 0.00 0.00 175.52 177.21 3h4e n THR 108 N -3.37 1.09 -4.41 3.16 -2.24 -0.86 -5.02 114.28 102.63 3h4e n THR 108 Ca -0.20 -1.22 -0.27 0.00 -2.27 0.00 0.00 64.05 60.09 3h4e n THR 108 Cb 1.04 0.30 -0.12 0.00 -2.10 0.00 0.00 70.33 69.46 3h4e n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h4e s SER 109 N -1.53 3.34 0.52 3.42 1.04 -1.26 -4.83 113.70 114.40 3h4e s SER 109 Ca 0.11 -0.84 -0.01 0.00 0.48 0.00 0.00 55.95 55.69 3h4e s SER 109 Cb 0.10 -0.24 0.01 0.00 0.10 0.00 0.00 66.02 65.99 3h4e s SER 109 CO 0.01 0.12 0.77 0.42 0.98 0.00 0.00 173.24 175.54 3h4e s THR 110 N -1.55 3.40 0.23 2.02 -4.23 -1.26 -4.87 115.64 109.38 3h4e s THR 110 Ca 0.19 -0.45 -0.07 0.00 -1.18 0.00 0.00 61.69 60.17 3h4e s THR 110 Cb -0.08 -3.29 0.21 0.00 1.34 0.00 0.00 72.50 70.68 3h4e s THR 110 CO 0.09 -0.23 1.90 0.25 -0.54 0.00 0.00 174.62 176.09 3h4e h LEU 111 N 0.13 0.99 -0.65 4.79 5.85 -1.99 -1.35 115.31 123.08 3h4e h LEU 111 Ca -0.45 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.29 3h4e h LEU 111 Cb 1.27 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 3h4e h LEU 111 CO 0.56 0.70 0.39 -0.61 -0.34 0.00 0.00 178.44 179.15 3h4e h GLN 112 N 1.17 0.73 -0.16 1.25 4.15 -1.99 0.86 115.11 121.12 3h4e h GLN 112 Ca 0.34 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.69 3h4e h GLN 112 Cb -0.08 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 3h4e h GLN 112 CO -0.09 0.48 0.00 0.93 -1.93 0.00 0.00 178.83 178.23 3h4e h GLU 113 N 0.75 0.27 -0.44 1.69 5.08 -1.85 -0.40 114.58 119.68 3h4e h GLU 113 Ca 0.27 -0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.63 3h4e h GLU 113 Cb 0.07 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.22 3h4e h GLU 113 CO -0.13 0.49 -0.04 1.96 -1.00 0.00 0.00 179.01 180.29 3h4e h GLN 114 N 0.02 0.06 -0.58 2.33 4.20 -0.86 0.76 115.11 121.04 3h4e h GLN 114 Ca 0.04 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3h4e h GLN 114 Cb 0.36 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 3h4e h GLN 114 CO 0.01 0.04 0.37 0.82 -0.67 0.00 0.00 178.83 179.40 3h4e h ILE 115 N 0.07 1.16 -0.09 2.54 2.04 -0.70 -1.87 117.51 120.66 3h4e h ILE 115 Ca 0.22 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 3h4e h ILE 115 Cb 0.33 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3h4e h ILE 115 CO -0.40 0.16 0.04 1.23 0.00 0.00 0.00 178.15 179.17 3h4e h GLY 116 N 0.81 0.14 0.96 5.37 0.00 0.74 -2.17 103.07 108.93 3h4e h GLY 116 Ca 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 3h4e h GLY 116 CO -0.04 0.07 0.18 1.49 0.00 0.00 0.00 176.54 178.24 3h4e h TRP 117 N -0.01 0.74 0.00 5.60 6.55 -0.66 -2.19 115.95 125.98 3h4e h TRP 117 Ca 0.03 -0.06 -0.07 0.00 0.95 0.00 0.00 58.89 59.73 3h4e h TRP 117 Cb 0.16 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 28.23 3h4e h TRP 117 CO -0.02 0.64 -0.35 0.52 -1.05 0.00 0.00 178.44 178.18 3h4e h MET 118 N 0.63 0.00 -0.30 0.49 2.86 -1.28 0.21 114.93 117.54 3h4e h MET 118 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3h4e h MET 118 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3h4e h MET 118 CO -0.01 0.35 0.00 0.25 1.06 0.00 0.00 176.91 178.56 3h4e n THR 119 N -3.79 1.30 -1.62 2.22 -2.24 -0.82 -4.63 114.28 104.70 3h4e n THR 119 Ca -0.01 -1.21 -0.30 0.00 -2.27 0.00 0.00 64.05 60.26 3h4e n THR 119 Cb 0.43 0.32 0.10 0.00 -2.10 0.00 0.00 70.33 69.08 3h4e n THR 119 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3h4e s HIS 120 N -1.43 2.83 -0.28 4.78 5.04 -0.83 -4.90 115.29 120.49 3h4e s HIS 120 Ca 0.26 1.03 0.02 0.00 -1.54 0.00 0.00 55.06 54.84 3h4e s HIS 120 Cb 0.17 -3.21 0.08 0.00 0.04 0.00 0.00 32.58 29.65 3h4e s HIS 120 CO 0.13 -1.84 -0.02 1.21 -2.34 0.00 0.00 174.74 171.88 3h4e s ASN 121 N -4.05 4.30 0.60 9.88 2.47 -1.26 -0.80 114.94 126.08 3h4e s ASN 121 Ca 0.61 -1.58 -0.12 0.00 0.42 0.00 0.00 52.86 52.19 3h4e s ASN 121 Cb -0.14 -1.37 -0.05 0.00 -1.45 0.00 0.00 41.25 38.25 3h4e s ASN 121 CO 0.53 -0.29 1.02 -2.84 -3.72 0.00 0.00 177.10 171.81 3h4e s PRO 122 N 1.20 3.64 0.56 0.43 0.02 -1.26 -5.14 135.00 134.45 3h4e s PRO 122 Ca 0.00 0.80 -0.18 0.00 0.02 0.00 0.00 61.00 61.64 3h4e s PRO 122 Cb -0.19 -2.09 -0.05 0.00 0.02 0.00 0.00 34.50 32.19 3h4e s PRO 122 CO -0.09 -0.53 1.09 -2.14 -0.33 0.00 0.00 177.00 175.00 3h4e s PRO 123 N -4.97 3.36 -0.37 5.54 0.02 0.02 -5.00 135.00 133.60 3h4e s PRO 123 Ca 0.56 1.43 -0.02 0.00 0.02 0.00 0.00 61.00 62.99 3h4e s PRO 123 Cb -0.11 -2.02 0.09 0.00 0.02 0.00 0.00 34.50 32.47 3h4e s PRO 123 CO 0.50 -0.81 0.13 0.42 -0.33 0.00 0.00 177.00 176.91 3h4e s ILE 124 N -2.06 3.16 -1.20 2.83 1.01 0.73 -4.97 121.20 120.70 3h4e s ILE 124 Ca 0.69 -1.82 -0.17 0.00 0.00 0.00 0.00 60.65 59.34 3h4e s ILE 124 Cb -0.20 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 3h4e s ILE 124 CO 0.30 -0.48 2.10 -0.81 0.00 0.00 0.00 174.94 176.05 3h4e n PRO 125 N 4.59 2.36 0.19 2.79 -0.05 -1.26 -3.55 135.00 140.06 3h4e n PRO 125 Ca -0.06 -2.34 0.06 0.00 -0.05 0.00 0.00 63.50 61.11 3h4e n PRO 125 Cb 0.42 -3.17 0.52 0.00 -0.05 0.00 0.00 33.50 31.23 3h4e n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 175.50 175.06 3h4e h VAL 126 N 4.24 1.09 -0.41 0.52 -1.51 -1.91 -1.19 116.25 117.08 3h4e h VAL 126 Ca 0.51 -0.37 -0.03 0.00 -1.23 0.00 0.00 66.70 65.57 3h4e h VAL 126 Cb 0.66 1.09 -0.02 0.00 -2.13 0.00 0.00 31.29 30.89 3h4e h VAL 126 CO 1.90 0.12 0.12 1.23 -1.23 0.00 0.00 177.57 179.70 3h4e h GLY 127 N 0.38 0.69 1.91 5.19 0.00 -1.86 -0.90 103.07 108.49 3h4e h GLY 127 Ca 0.03 -0.42 -0.17 0.00 0.00 0.00 0.00 47.33 46.76 3h4e h GLY 127 CO 0.01 0.39 -0.81 0.83 0.00 0.00 0.00 176.54 176.96 3h4e h GLU 128 N 0.52 0.08 -0.09 4.80 4.39 -1.60 -0.49 114.58 122.20 3h4e h GLU 128 Ca 0.13 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 3h4e h GLU 128 Cb 0.28 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3h4e h GLU 128 CO -0.00 0.84 -0.01 0.82 -1.16 0.00 0.00 179.01 179.50 3h4e h ILE 129 N 0.05 1.27 -0.72 3.13 2.04 -1.19 -2.24 117.51 119.85 3h4e h ILE 129 Ca -0.02 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 3h4e h ILE 129 Cb 1.41 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 39.12 3h4e h ILE 129 CO 0.11 0.24 0.36 0.22 0.00 0.00 0.00 178.15 179.09 3h4e h TYR 130 N -0.13 1.01 -0.71 1.37 3.20 -1.08 -2.29 116.97 118.34 3h4e h TYR 130 Ca 0.03 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.86 3h4e h TYR 130 Cb 0.38 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 3h4e h TYR 130 CO 0.04 0.74 0.47 -0.22 -1.64 0.00 0.00 178.16 177.55 3h4e h LYS 131 N 0.99 0.94 -0.65 1.82 3.64 -1.03 -1.19 116.57 121.10 3h4e h LYS 131 Ca 0.25 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3h4e h LYS 131 Cb 0.09 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 3h4e h LYS 131 CO -0.03 0.62 0.37 -0.09 -2.27 0.00 0.00 179.45 178.05 3h4e h ARG 132 N 0.96 0.89 -0.30 1.90 2.43 -0.83 -0.57 114.38 118.87 3h4e h ARG 132 Ca 0.26 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3h4e h ARG 132 Cb -0.11 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.25 3h4e h ARG 132 CO -0.06 0.66 0.11 -1.49 -1.51 0.00 0.00 179.97 177.68 3h4e h TRP 133 N 0.88 0.46 -0.94 2.20 6.55 -1.08 -2.08 115.95 121.94 3h4e h TRP 133 Ca 0.23 -0.04 0.01 0.00 0.95 0.00 0.00 58.89 60.03 3h4e h TRP 133 Cb 0.01 -0.14 -0.05 0.00 -0.86 0.00 0.00 29.16 28.13 3h4e h TRP 133 CO -0.01 0.47 0.61 0.82 -1.05 0.00 0.00 178.44 179.28 3h4e h ILE 134 N 0.32 1.25 -0.20 1.49 2.04 -0.95 -1.85 117.51 119.61 3h4e h ILE 134 Ca 0.10 -0.47 -0.13 0.00 1.00 0.00 0.00 64.86 65.36 3h4e h ILE 134 Cb 0.21 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 3h4e h ILE 134 CO -0.01 0.24 -0.42 0.40 0.00 0.00 0.00 178.15 178.36 3h4e h ILE 135 N 1.28 1.31 -0.19 -0.67 2.04 -0.99 0.37 117.51 120.66 3h4e h ILE 135 Ca 0.34 -1.60 0.03 0.00 1.00 0.00 0.00 64.86 64.64 3h4e h ILE 135 Cb -0.13 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3h4e h ILE 135 CO -0.07 0.50 -0.01 -0.07 0.00 0.00 0.00 178.15 178.50 3h4e h LEU 136 N 0.40 -0.09 -0.89 1.44 3.38 -0.86 -0.33 115.31 118.35 3h4e h LEU 136 Ca 0.03 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3h4e h LEU 136 Cb 0.91 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3h4e h LEU 136 CO 0.08 -0.02 0.37 1.23 0.09 0.00 0.00 178.44 180.18 3h4e h GLY 137 N 0.05 1.25 1.32 0.83 0.00 -0.98 -2.55 103.07 102.99 3h4e h GLY 137 Ca 0.09 -0.63 -0.09 0.00 0.00 0.00 0.00 47.33 46.70 3h4e h GLY 137 CO -0.16 0.60 -0.07 1.41 0.00 0.00 0.00 176.54 178.32 3h4e h LEU 138 N 1.15 0.79 -0.45 3.11 3.38 -0.63 -2.48 115.31 120.19 3h4e h LEU 138 Ca 0.27 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3h4e h LEU 138 Cb 0.14 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3h4e h LEU 138 CO -0.03 0.90 0.30 0.78 0.09 0.00 0.00 178.44 180.48 3h4e h ASN 139 N 0.74 0.52 -0.48 -0.43 2.35 -0.80 -0.56 115.58 116.92 3h4e h ASN 139 Ca 0.13 -0.01 0.09 0.00 -0.55 0.00 0.00 56.30 55.95 3h4e h ASN 139 Cb 0.55 -0.13 -0.07 0.00 0.05 0.00 0.00 38.32 38.72 3h4e h ASN 139 CO 0.03 0.38 0.04 0.11 -1.65 0.00 0.00 177.43 176.34 3h4e h LYS 140 N 0.61 0.16 -0.68 0.81 1.57 -1.26 -1.60 116.57 116.17 3h4e h LYS 140 Ca 0.16 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 3h4e h LYS 140 Cb -0.07 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3h4e h LYS 140 CO -0.04 0.10 0.14 0.82 -0.57 0.00 0.00 179.45 179.91 3h4e h ILE 141 N 0.16 1.26 -0.55 1.86 2.04 -1.02 -1.20 117.51 120.06 3h4e h ILE 141 Ca 0.24 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3h4e h ILE 141 Cb 0.34 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3h4e h ILE 141 CO -0.36 0.38 0.36 0.58 0.00 0.00 0.00 178.15 179.11 3h4e h VAL 142 N 1.04 1.15 -0.61 1.67 2.07 -0.75 -0.97 116.25 119.85 3h4e h VAL 142 Ca 0.21 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 3h4e h VAL 142 Cb 0.41 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3h4e h VAL 142 CO 0.01 0.14 0.23 -0.09 0.02 0.00 0.00 177.57 177.88 3h4e h ARG 143 N 0.75 0.92 -0.21 1.57 2.43 -0.99 -2.37 114.38 116.49 3h4e h ARG 143 Ca 0.20 -0.18 -0.12 0.00 -0.81 0.00 0.00 59.98 59.08 3h4e h ARG 143 Cb -0.08 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 3h4e h ARG 143 CO -0.04 0.80 -0.38 0.52 -1.51 0.00 0.00 179.97 179.35 3h4e h MET 144 N 0.86 0.46 -0.08 0.20 2.86 -0.91 -2.99 114.93 115.33 3h4e h MET 144 Ca 0.20 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3h4e h MET 144 Cb 0.23 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3h4e h MET 144 CO -0.01 0.77 0.00 0.66 1.06 0.00 0.00 176.91 179.39 3h4e n TYR 145 N -4.04 0.09 -1.66 -0.22 4.02 -0.39 -4.83 117.16 110.13 3h4e n TYR 145 Ca -0.01 -0.04 -0.43 0.00 -0.01 0.00 0.00 57.90 57.40 3h4e n TYR 145 Cb 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.78 3h4e n TYR 145 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3h4e s SER 146 N -1.81 5.85 0.44 7.72 0.15 -0.91 -4.86 113.70 120.28 3h4e s SER 146 Ca 0.36 2.14 0.19 0.00 0.70 0.00 0.00 55.95 59.34 3h4e s SER 146 Cb 0.19 -2.52 1.03 0.00 -1.71 0.00 0.00 66.02 63.01 3h4e s SER 146 CO 0.30 -1.61 1.94 -0.65 1.20 0.00 0.00 173.24 174.42 3h4e h PRO 147 N 13.26 0.00 -3.34 5.44 0.11 -1.91 -3.45 132.00 142.11 3h4e h PRO 147 Ca -0.44 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.46 3h4e h PRO 147 Cb 1.23 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.06 3h4e h PRO 147 CO 0.96 0.24 -0.57 0.99 -0.21 0.00 0.00 178.00 179.41 3h4e s THR 148 N -4.24 -0.02 0.49 -1.15 2.01 -1.26 -5.14 115.64 106.34 3h4e s THR 148 Ca -0.03 0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.83 3h4e s THR 148 Cb 0.14 -0.22 -0.07 0.00 0.01 0.00 0.00 72.50 72.36 3h4e s THR 148 CO 0.67 0.03 1.09 -0.55 -0.69 0.00 0.00 174.62 175.17 3h4e s SER 149 N 0.49 6.13 0.62 3.53 0.15 -1.26 -4.91 113.70 118.45 3h4e s SER 149 Ca -0.03 2.09 0.40 0.00 0.70 0.00 0.00 55.95 59.11 3h4e s SER 149 Cb -0.05 -2.58 2.01 0.00 -1.71 0.00 0.00 66.02 63.70 3h4e s SER 149 CO -0.02 -0.93 2.22 -0.29 1.20 0.00 0.00 173.24 175.42 3h4e h ILE 150 N 1.55 0.03 0.00 6.45 6.09 -1.96 -1.75 117.51 127.91 3h4e h ILE 150 Ca -0.50 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 62.79 3h4e h ILE 150 Cb 1.24 1.20 0.00 0.00 0.47 0.00 0.00 36.82 39.73 3h4e h ILE 150 CO 0.59 0.01 0.00 -0.07 -3.07 0.00 0.00 178.15 175.60 3h4e h LEU 151 N 0.00 0.00 -1.76 2.19 3.38 -2.01 -3.07 115.31 114.04 3h4e h LEU 151 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h4e h LEU 151 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3h4e h LEU 151 CO 0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 3h4e n ASP 152 N -3.02 2.58 -4.45 -0.43 8.00 -0.66 -4.82 116.55 113.75 3h4e n ASP 152 Ca 0.02 -1.94 -0.44 0.00 0.71 0.00 0.00 54.79 53.14 3h4e n ASP 152 Cb 0.38 -0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 41.13 3h4e n ASP 152 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h4e s ILE 153 N -1.45 5.01 -0.01 0.53 -1.09 -1.16 -5.02 121.20 118.01 3h4e s ILE 153 Ca 0.34 -0.55 0.02 0.00 -2.23 0.00 0.00 60.65 58.23 3h4e s ILE 153 Cb 0.18 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 3h4e s ILE 153 CO 0.25 -0.64 -0.06 -0.13 -1.23 0.00 0.00 174.94 173.13 3h4e s ARG 154 N 2.29 0.55 0.10 2.79 0.52 -1.26 -4.91 118.95 119.03 3h4e s ARG 154 Ca 0.12 -0.19 -0.31 0.00 -0.52 0.00 0.00 55.73 54.83 3h4e s ARG 154 Cb -0.19 -0.54 -0.09 0.00 0.52 0.00 0.00 34.95 34.64 3h4e s ARG 154 CO 0.12 0.09 1.74 -1.14 0.02 0.00 0.00 175.30 176.13 3h4e s GLN 155 N 0.07 4.17 0.90 3.54 0.74 -0.56 -4.97 119.66 123.55 3h4e s GLN 155 Ca -0.00 2.47 -0.13 0.00 0.05 0.00 0.00 55.36 57.75 3h4e s GLN 155 Cb -0.05 -3.58 0.03 0.00 1.10 0.00 0.00 33.01 30.51 3h4e s GLN 155 CO -0.00 -0.79 0.50 0.41 -0.55 0.00 0.00 175.29 174.86 3h4e n GLY 156 N 4.11 -1.75 0.16 2.59 0.00 -1.26 -4.22 105.19 104.82 3h4e n GLY 156 Ca 0.17 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.47 3h4e n GLY 156 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h4e h PRO 157 N -1.33 0.19 -0.27 1.61 0.11 -2.00 -3.11 132.00 127.20 3h4e h PRO 157 Ca -0.44 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.53 3h4e h PRO 157 Cb 1.29 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3h4e h PRO 157 CO 0.37 0.76 0.00 1.63 -0.21 0.00 0.00 178.00 180.55 3h4e n LYS 158 N -3.84 2.15 -3.00 1.05 4.01 -1.26 -4.95 118.16 112.32 3h4e n LYS 158 Ca -0.02 -1.83 -0.40 0.00 -0.51 0.00 0.00 58.31 55.54 3h4e n LYS 158 Cb 0.64 -1.28 -0.05 0.00 -0.51 0.00 0.00 35.03 33.83 3h4e n LYS 158 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 3h4e s GLU 159 N -1.02 4.38 0.44 1.97 2.12 -1.18 -5.03 118.70 120.39 3h4e s GLU 159 Ca 0.22 0.90 -0.26 0.00 0.36 0.00 0.00 54.97 56.20 3h4e s GLU 159 Cb 0.13 -3.49 -0.09 0.00 0.26 0.00 0.00 34.13 30.94 3h4e s GLU 159 CO 0.17 -0.07 1.44 -2.14 -0.54 0.00 0.00 175.26 174.12 3h4e s PRO 160 N 1.27 3.73 0.22 4.30 0.02 -1.26 -4.67 135.00 138.61 3h4e s PRO 160 Ca 0.37 2.44 -0.08 0.00 0.02 0.00 0.00 61.00 63.75 3h4e s PRO 160 Cb -0.17 -2.69 0.33 0.00 0.02 0.00 0.00 34.50 31.99 3h4e s PRO 160 CO 0.16 -0.79 1.72 0.35 -0.33 0.00 0.00 177.00 178.11 3h4e h PHE 161 N 2.40 0.30 -0.54 6.54 3.57 -1.97 -2.11 116.94 125.13 3h4e h PHE 161 Ca -0.51 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.10 3h4e h PHE 161 Cb 1.26 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.91 3h4e h PHE 161 CO 0.50 0.01 0.21 -0.09 -2.23 0.00 0.00 178.31 176.71 3h4e h ARG 162 N 0.32 0.39 -0.23 1.11 2.43 -1.91 0.11 114.38 116.60 3h4e h ARG 162 Ca 0.34 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3h4e h ARG 162 Cb 0.50 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3h4e h ARG 162 CO -0.39 0.26 0.12 -0.44 -1.51 0.00 0.00 179.97 178.01 3h4e h ASP 163 N 0.40 0.27 0.02 -3.80 3.32 -1.76 0.65 116.42 115.52 3h4e h ASP 163 Ca 0.26 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.12 3h4e h ASP 163 Cb 0.28 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 39.78 3h4e h ASP 163 CO -0.25 0.22 -0.72 0.22 -1.72 0.00 0.00 179.24 177.00 3h4e h TYR 164 N 0.31 0.69 -0.38 4.55 3.20 -0.90 -2.58 116.97 121.86 3h4e h TYR 164 Ca 0.08 -0.39 -0.07 0.00 3.14 0.00 0.00 58.73 61.49 3h4e h TYR 164 Cb 0.02 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3h4e h TYR 164 CO 0.00 1.22 -0.07 0.28 -1.64 0.00 0.00 178.16 177.95 3h4e h VAL 165 N -0.03 1.24 0.02 1.81 2.07 -0.78 -0.03 116.25 120.54 3h4e h VAL 165 Ca -0.09 -1.03 0.03 0.00 0.82 0.00 0.00 66.70 66.43 3h4e h VAL 165 Cb 1.43 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 3h4e h VAL 165 CO 0.14 0.35 -0.19 0.44 0.02 0.00 0.00 177.57 178.33 3h4e h ASP 166 N 0.60 -0.56 -0.74 0.57 3.45 -0.88 -1.66 116.42 117.20 3h4e h ASP 166 Ca 0.11 0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.63 3h4e h ASP 166 Cb 0.49 0.23 -0.04 0.00 -0.56 0.00 0.00 39.33 39.45 3h4e h ASP 166 CO 0.03 -0.26 0.40 0.03 -1.57 0.00 0.00 179.24 177.86 3h4e h ARG 167 N -0.32 1.06 0.39 3.56 3.08 -1.10 -0.86 114.38 120.18 3h4e h ARG 167 Ca 0.05 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3h4e h ARG 167 Cb 0.38 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3h4e h ARG 167 CO -0.17 0.79 -0.25 0.35 -1.07 0.00 0.00 179.97 179.62 3h4e h PHE 168 N 1.06 -0.67 0.00 3.04 3.57 -0.69 -2.08 116.94 121.18 3h4e h PHE 168 Ca 0.27 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.63 3h4e h PHE 168 Cb 0.05 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3h4e h PHE 168 CO 0.01 -0.39 -0.63 1.88 -2.23 0.00 0.00 178.31 176.95 3h4e h TYR 169 N -0.62 0.00 -0.30 0.41 0.05 -1.16 -1.28 116.97 114.07 3h4e h TYR 169 Ca -0.04 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.71 3h4e h TYR 169 Cb 0.52 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 3h4e h TYR 169 CO -0.10 0.63 0.09 -0.22 -1.05 0.00 0.00 178.16 177.50 3h4e h LYS 170 N 0.00 0.47 -0.21 4.88 3.64 -1.15 -1.49 116.57 122.71 3h4e h LYS 170 Ca -0.01 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3h4e h LYS 170 Cb 1.23 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 3h4e h LYS 170 CO 0.08 0.53 0.12 1.15 -2.27 0.00 0.00 179.45 179.06 3h4e h THR 171 N 0.33 1.10 -0.37 1.00 2.02 -1.27 -2.10 112.91 113.62 3h4e h THR 171 Ca 0.10 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3h4e h THR 171 Cb 0.26 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3h4e h THR 171 CO -0.00 0.10 0.24 0.25 0.37 0.00 0.00 175.52 176.48 3h4e h LEU 172 N 0.23 0.43 -0.27 2.58 5.85 -1.19 -1.81 115.31 121.13 3h4e h LEU 172 Ca 0.07 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.57 3h4e h LEU 172 Cb 0.05 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3h4e h LEU 172 CO -0.01 0.31 -0.81 -0.09 -0.34 0.00 0.00 178.44 177.50 3h4e h ARG 173 N 0.50 0.52 -0.11 1.25 2.43 -0.89 -2.77 114.38 115.30 3h4e h ARG 173 Ca 0.14 -0.46 -0.02 0.00 -0.81 0.00 0.00 59.98 58.83 3h4e h ARG 173 Cb -0.05 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3h4e h ARG 173 CO -0.03 1.09 -0.02 0.00 -1.51 0.00 0.00 179.97 179.50 3h4e h ALA 174 N 0.77 0.15 -0.04 2.80 0.00 -0.96 -2.55 119.26 119.44 3h4e h ALA 174 Ca -0.05 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3h4e h ALA 174 Cb 1.41 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 3h4e h ALA 174 CO 0.15 -0.11 0.13 0.93 0.00 0.00 0.00 179.25 180.35 3h4e h GLU 175 N -0.10 0.00 -5.04 0.00 4.39 -1.40 -3.36 114.58 109.07 3h4e h GLU 175 Ca 0.03 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.47 3h4e h GLU 175 Cb 0.43 0.00 0.15 0.00 -0.10 0.00 0.00 28.75 29.23 3h4e h GLU 175 CO 0.01 0.00 -0.66 1.04 -1.16 0.00 0.00 179.01 178.24 3h4e n GLN 176 N -3.24 -4.57 -2.07 2.33 6.02 -0.96 -4.95 117.38 109.94 3h4e n GLN 176 Ca -0.02 0.71 -0.37 0.00 -0.01 0.00 0.00 57.00 57.32 3h4e n GLN 176 Cb 0.21 -5.25 0.02 0.00 1.02 0.00 0.00 30.24 26.23 3h4e n GLN 176 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h4e s ALA 177 N -3.31 2.77 0.69 -1.58 0.00 -1.21 -5.04 121.76 114.09 3h4e s ALA 177 Ca 0.10 1.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.98 3h4e s ALA 177 Cb -0.01 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.67 3h4e s ALA 177 CO 0.61 -0.99 1.07 -1.54 0.00 0.00 0.00 175.76 174.91 3h4e s SER 178 N -1.38 5.21 0.25 0.00 1.04 -1.26 -4.74 113.70 112.82 3h4e s SER 178 Ca 0.71 1.76 -0.04 0.00 0.48 0.00 0.00 55.95 58.85 3h4e s SER 178 Cb -0.31 -2.52 0.44 0.00 0.10 0.00 0.00 66.02 63.73 3h4e s SER 178 CO 0.36 -1.56 1.77 -0.61 0.98 0.00 0.00 173.24 174.19 3h4e h GLN 179 N -0.49 0.60 -0.24 4.02 5.75 -1.98 0.20 115.11 122.96 3h4e h GLN 179 Ca -0.45 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.02 3h4e h GLN 179 Cb 1.22 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 3h4e h GLN 179 CO 0.55 0.40 0.15 0.93 -2.65 0.00 0.00 178.83 178.21 3h4e h GLU 180 N 0.62 0.30 -0.72 1.69 3.07 -1.99 -0.33 114.58 117.21 3h4e h GLU 180 Ca 0.41 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 59.20 3h4e h GLU 180 Cb 0.51 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.32 3h4e h GLU 180 CO -0.32 0.20 0.24 0.28 -1.40 0.00 0.00 179.01 178.01 3h4e h VAL 181 N 0.31 1.26 -0.84 3.13 2.07 -1.53 -1.07 116.25 119.58 3h4e h VAL 181 Ca 0.09 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.74 3h4e h VAL 181 Cb -0.02 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 3h4e h VAL 181 CO -0.03 0.35 0.55 0.11 0.02 0.00 0.00 177.57 178.56 3h4e h LYS 182 N 1.07 1.11 0.70 1.57 6.56 -0.33 0.86 116.57 128.11 3h4e h LYS 182 Ca 0.23 -0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 59.72 3h4e h LYS 182 Cb 0.29 -0.25 0.00 0.00 -0.57 0.00 0.00 32.23 31.71 3h4e h LYS 182 CO -0.01 0.74 -0.37 -0.91 -2.06 0.00 0.00 179.45 176.84 3h4e h ASN 183 N 1.14 -0.89 -0.47 0.86 4.21 -0.63 0.07 115.58 119.87 3h4e h ASN 183 Ca 0.31 0.04 0.09 0.00 1.21 0.00 0.00 56.30 57.94 3h4e h ASN 183 Cb -0.12 0.24 -0.08 0.00 -1.12 0.00 0.00 38.32 37.24 3h4e h ASN 183 CO -0.07 -0.60 0.00 0.00 -1.29 0.00 0.00 177.43 175.48 3h4e h ALA 184 N -0.70 0.44 -0.60 -0.83 0.00 -0.98 0.51 119.26 117.11 3h4e h ALA 184 Ca -0.09 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3h4e h ALA 184 Cb 0.77 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3h4e h ALA 184 CO 0.13 -0.38 0.39 0.00 0.00 0.00 0.00 179.25 179.39 3h4e h ALA 185 N 1.42 1.56 0.40 0.00 0.00 -0.78 0.19 119.26 122.05 3h4e h ALA 185 Ca 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3h4e h ALA 185 Cb 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3h4e h ALA 185 CO -0.39 0.40 -0.19 1.15 0.00 0.00 0.00 179.25 180.22 3h4e h THR 186 N 0.81 0.41 -0.45 0.00 2.02 0.13 -1.39 112.91 114.45 3h4e h THR 186 Ca 0.22 -0.61 0.06 0.00 0.77 0.00 0.00 66.41 66.85 3h4e h THR 186 Cb -0.08 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 66.90 3h4e h THR 186 CO -0.05 0.08 0.13 -0.33 0.37 0.00 0.00 175.52 175.73 3h4e h GLU 187 N -0.97 0.28 -0.14 6.66 5.08 0.13 -0.71 114.58 124.90 3h4e h GLU 187 Ca -0.05 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.09 3h4e h GLU 187 Cb 0.55 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.74 3h4e h GLU 187 CO 0.09 0.18 -0.70 1.79 -1.00 0.00 0.00 179.01 179.37 3h4e h THR 188 N 0.28 1.30 0.00 1.13 1.35 -0.72 -3.41 112.91 112.85 3h4e h THR 188 Ca 0.21 -1.92 -0.34 0.00 -0.55 0.00 0.00 66.41 63.81 3h4e h THR 188 Cb 0.24 2.03 -0.06 0.00 -1.73 0.00 0.00 68.15 68.63 3h4e h THR 188 CO -0.24 0.60 -2.27 0.18 -0.25 0.00 0.00 175.52 173.54 3h4e n LEU 189 N -4.02 0.41 0.21 3.87 4.77 -0.52 -4.41 117.00 117.31 3h4e n LEU 189 Ca -0.08 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.76 3h4e n LEU 189 Cb 0.70 0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 42.00 3h4e n LEU 189 CO 0.51 0.52 0.46 0.25 -1.33 0.00 0.00 177.39 177.79 3h4e h LEU 190 N 0.00 -0.48 -0.44 2.23 5.85 -1.23 -1.40 115.31 119.85 3h4e h LEU 190 Ca -0.50 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.06 3h4e h LEU 190 Cb 2.09 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 43.23 3h4e h LEU 190 CO 0.01 -0.09 0.08 -0.37 -0.34 0.00 0.00 178.44 177.73 3h4e h VAL 191 N -0.94 1.24 -0.80 1.05 -1.51 -1.84 -2.98 116.25 110.47 3h4e h VAL 191 Ca -0.06 -0.88 0.18 0.00 -1.23 0.00 0.00 66.70 64.71 3h4e h VAL 191 Cb 0.56 0.96 -0.11 0.00 -2.13 0.00 0.00 31.29 30.57 3h4e h VAL 191 CO 0.09 0.31 0.28 -0.61 -1.23 0.00 0.00 177.57 176.41 3h4e h GLN 192 N 0.59 0.35 -0.65 5.19 4.15 -1.76 -2.08 115.11 120.90 3h4e h GLN 192 Ca 0.13 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.53 3h4e h GLN 192 Cb 0.37 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.98 3h4e h GLN 192 CO 0.01 0.23 0.00 0.09 -1.93 0.00 0.00 178.83 177.23 3h4e n ASN 193 N -5.08 3.79 -4.80 -0.69 3.02 -0.53 -4.93 115.26 106.05 3h4e n ASN 193 Ca 0.17 -2.14 -0.34 0.00 -0.03 0.00 0.00 54.58 52.24 3h4e n ASN 193 Cb 0.51 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 3h4e n ASN 193 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h4e s ALA 194 N -1.37 2.84 1.00 5.41 0.00 -0.78 -1.49 121.76 127.36 3h4e s ALA 194 Ca 0.45 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 52.90 3h4e s ALA 194 Cb 0.25 -3.26 0.19 0.00 0.00 0.00 0.00 23.12 20.30 3h4e s ALA 194 CO 0.27 -0.42 1.09 0.54 0.00 0.00 0.00 175.76 177.24 3h4e s ASN 195 N -2.04 2.41 0.13 0.00 2.20 -1.26 -4.58 114.94 111.80 3h4e s ASN 195 Ca 0.68 1.75 -0.20 0.00 -0.94 0.00 0.00 52.86 54.15 3h4e s ASN 195 Cb -0.17 -2.36 -0.01 0.00 -2.00 0.00 0.00 41.25 36.70 3h4e s ASN 195 CO 0.22 -3.35 1.70 -0.65 -2.94 0.00 0.00 177.10 172.09 3h4e h PRO 196 N -2.04 0.00 0.35 3.55 0.11 -1.92 0.24 132.00 132.29 3h4e h PRO 196 Ca -0.51 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3h4e h PRO 196 Cb 1.29 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 3h4e h PRO 196 CO 0.48 0.00 -0.40 -0.44 -0.21 0.00 0.00 178.00 177.44 3h4e h ASP 197 N 0.00 -1.10 -0.70 -2.05 3.32 -1.94 -2.61 116.42 111.34 3h4e h ASP 197 Ca 0.11 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 3h4e h ASP 197 Cb 0.16 0.38 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 3h4e h ASP 197 CO -0.23 -0.53 0.24 0.00 -1.72 0.00 0.00 179.24 177.00 3h4e h LYS 199 N 1.05 0.61 -0.02 0.00 3.64 -0.66 0.14 116.57 121.33 3h4e h LYS 199 Ca 0.23 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3h4e h LYS 199 Cb 0.27 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3h4e h LYS 199 CO -0.01 0.40 -0.03 1.79 -2.27 0.00 0.00 179.45 179.33 3h4e h THR 200 N 0.63 1.42 -0.92 1.00 1.35 -1.30 -2.12 112.91 112.97 3h4e h THR 200 Ca 0.49 -1.30 0.06 0.00 -0.55 0.00 0.00 66.41 65.11 3h4e h THR 200 Cb 0.72 2.24 -0.06 0.00 -1.73 0.00 0.00 68.15 69.33 3h4e h THR 200 CO -0.38 0.34 0.60 0.40 -0.25 0.00 0.00 175.52 176.23 3h4e h ILE 201 N -0.45 1.08 -0.08 6.82 2.04 -1.24 -1.42 117.51 124.26 3h4e h ILE 201 Ca 0.00 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 3h4e h ILE 201 Cb 0.58 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3h4e h ILE 201 CO 0.01 0.19 -0.15 -0.07 0.00 0.00 0.00 178.15 178.13 3h4e h LEU 202 N 1.06 0.28 -2.07 1.44 3.38 -0.76 -2.65 115.31 116.00 3h4e h LEU 202 Ca 0.39 -0.55 0.09 0.00 0.09 0.00 0.00 57.88 57.90 3h4e h LEU 202 Cb 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3h4e h LEU 202 CO -0.14 0.77 0.24 0.11 0.09 0.00 0.00 178.44 179.52 3h4e h LYS 203 N -0.21 0.00 -0.30 1.13 1.57 -1.17 -1.36 116.57 116.23 3h4e h LYS 203 Ca 0.01 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3h4e h LYS 203 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3h4e h LYS 203 CO 0.03 0.00 -0.36 0.00 -0.57 0.00 0.00 179.45 178.56 3h4e h ALA 204 N 1.80 0.82 0.00 3.86 0.00 -0.92 -2.63 119.26 122.19 3h4e h ALA 204 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3h4e h ALA 204 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3h4e h ALA 204 CO -0.00 0.65 0.00 1.47 0.00 0.00 0.00 179.25 181.36 3h4e n LEU 205 N -4.05 0.57 0.00 0.00 -0.00 -0.52 -4.98 117.00 108.02 3h4e n LEU 205 Ca -0.01 0.69 0.01 0.00 -0.00 0.00 0.00 56.01 56.70 3h4e n LEU 205 Cb 0.50 -0.68 -0.00 0.00 -0.00 0.00 0.00 43.42 43.24 3h4e n LEU 205 CO 0.45 -0.71 -0.02 0.61 -0.00 0.00 0.00 177.39 177.72 3h4e n GLY 206 N -0.61 -2.17 3.80 1.47 0.00 -0.99 -4.87 105.19 101.82 3h4e n GLY 206 Ca 0.01 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 3h4e n GLY 206 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h4e s PRO 207 N -0.83 2.43 -0.44 1.61 0.02 -1.26 -4.21 135.00 132.33 3h4e s PRO 207 Ca 0.00 0.87 0.00 0.00 0.02 0.00 0.00 61.00 61.89 3h4e s PRO 207 Cb 0.00 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3h4e s PRO 207 CO 0.00 -1.43 0.00 0.41 -0.33 0.00 0.00 177.00 175.65 3h4e n GLY 208 N -1.85 0.68 3.74 0.52 0.00 -1.26 -5.02 105.19 102.01 3h4e n GLY 208 Ca 0.08 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 3h4e n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4e s ALA 209 N -2.16 3.31 0.50 4.61 0.00 -1.26 -5.04 121.76 121.72 3h4e s ALA 209 Ca 0.00 0.53 -0.19 0.00 0.00 0.00 0.00 51.96 52.30 3h4e s ALA 209 Cb 0.00 -3.19 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 3h4e s ALA 209 CO 0.00 0.09 1.03 0.95 0.00 0.00 0.00 175.76 177.83 3h4e s THR 210 N -0.49 3.91 0.42 0.00 -4.23 -1.26 -4.90 115.64 109.09 3h4e s THR 210 Ca 0.43 1.12 0.15 0.00 -1.18 0.00 0.00 61.69 62.21 3h4e s THR 210 Cb -0.24 -3.47 0.35 0.00 1.34 0.00 0.00 72.50 70.48 3h4e s THR 210 CO 0.29 -0.33 1.92 0.25 -0.54 0.00 0.00 174.62 176.21 3h4e h LEU 211 N 1.35 0.40 -0.18 4.79 5.85 -2.00 0.01 115.31 125.54 3h4e h LEU 211 Ca -0.49 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 3h4e h LEU 211 Cb 1.21 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 3h4e h LEU 211 CO 0.59 0.21 0.10 -0.08 -0.34 0.00 0.00 178.44 178.92 3h4e h GLU 212 N 0.43 0.25 -0.14 1.25 4.81 -2.00 -2.06 114.58 117.13 3h4e h GLU 212 Ca 0.37 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.60 3h4e h GLU 212 Cb 0.83 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 3h4e h GLU 212 CO -0.12 0.26 -0.04 0.93 -0.73 0.00 0.00 179.01 179.31 3h4e h GLU 213 N 0.18 -0.01 -0.74 1.92 5.08 -1.40 -1.76 114.58 117.86 3h4e h GLU 213 Ca 0.06 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.51 3h4e h GLU 213 Cb 0.08 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 3h4e h GLU 213 CO -0.01 -0.00 0.40 0.52 -1.00 0.00 0.00 179.01 178.91 3h4e h MET 214 N -0.01 0.67 -0.07 2.33 2.86 -1.24 -1.34 114.93 118.13 3h4e h MET 214 Ca 0.07 -0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.49 3h4e h MET 214 Cb 0.11 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 3h4e h MET 214 CO -0.15 0.44 -0.73 0.52 1.06 0.00 0.00 176.91 178.06 3h4e h MET 215 N 0.69 0.37 -0.28 1.72 2.86 -1.03 -2.39 114.93 116.87 3h4e h MET 215 Ca 0.35 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3h4e h MET 215 Cb 0.31 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3h4e h MET 215 CO -0.24 0.95 0.15 1.15 1.06 0.00 0.00 176.91 179.98 3h4e h THR 216 N 0.25 1.13 -0.52 2.22 2.02 -0.98 -3.05 112.91 113.98 3h4e h THR 216 Ca -0.03 -0.35 0.08 0.00 0.77 0.00 0.00 66.41 66.88 3h4e h THR 216 Cb 1.30 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 68.49 3h4e h THR 216 CO 0.12 0.13 0.14 0.00 0.37 0.00 0.00 175.52 176.28 3h4e h ALA 217 N 1.02 0.61 -0.58 6.16 0.00 -1.00 -2.80 119.26 122.67 3h4e h ALA 217 Ca 0.10 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3h4e h ALA 217 Cb 0.08 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 3h4e h ALA 217 CO -0.02 -0.27 0.17 0.00 0.00 0.00 0.00 179.25 179.13