#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 3.19 0.35 4.25 1.01 0.05 -1.00 121.20 129.06 3h4e s ILE 2 Ca 0.00 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.06 3h4e s ILE 2 Cb 0.00 -2.48 -0.06 0.00 0.01 0.00 0.00 42.46 39.92 3h4e s ILE 2 CO 0.00 0.38 0.05 0.68 0.00 0.00 0.00 174.94 176.05 3h4e s VAL 3 N 1.44 1.29 -0.17 2.92 -7.23 -0.02 -4.77 120.40 113.85 3h4e s VAL 3 Ca 0.05 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.03 3h4e s VAL 3 Cb -0.15 -2.78 -0.03 0.00 0.56 0.00 0.00 36.38 33.98 3h4e s VAL 3 CO -0.04 0.00 0.51 -1.58 -0.31 0.00 0.00 175.10 173.68 3h4e s GLN 4 N -3.84 4.24 0.00 4.82 0.74 -1.26 -0.27 119.66 124.08 3h4e s GLN 4 Ca 0.34 0.43 0.00 0.00 0.05 0.00 0.00 55.36 56.18 3h4e s GLN 4 Cb 0.08 -3.52 0.00 0.00 1.10 0.00 0.00 33.01 30.67 3h4e s GLN 4 CO 0.15 -0.06 0.00 0.27 -0.55 0.00 0.00 175.29 175.11 3h4e n ASN 5 N 4.46 -0.02 0.15 6.67 0.23 0.02 -4.94 115.26 121.83 3h4e n ASN 5 Ca -0.05 -0.15 0.08 0.00 -0.53 0.00 0.00 54.58 53.93 3h4e n ASN 5 Cb 0.51 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.26 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 0.00 0.00 -4.53 8.10 -1.98 -3.22 115.31 113.68 3h4e h LEU 6 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3h4e h LEU 6 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 3h4e h LEU 6 CO 0.00 0.20 0.00 0.00 -4.11 0.00 0.00 178.44 174.53 3h4e n GLN 7 N -2.99 0.78 -1.00 0.17 1.13 -1.26 -4.87 117.38 109.33 3h4e n GLN 7 Ca 0.01 0.01 -0.00 0.00 -1.94 0.00 0.00 57.00 55.07 3h4e n GLN 7 Cb 0.63 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.48 3h4e n GLN 7 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h4e n GLY 8 N 0.93 0.47 3.83 1.08 0.00 -1.22 -5.04 105.19 105.23 3h4e n GLY 8 Ca 0.20 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 3h4e n GLY 8 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h4e s GLN 9 N -0.51 4.11 -0.24 1.61 2.00 -1.26 -4.83 119.66 120.52 3h4e s GLN 9 Ca 0.00 0.66 -0.20 0.00 -2.00 0.00 0.00 55.36 53.82 3h4e s GLN 9 Cb 0.00 -2.96 -0.02 0.00 0.80 0.00 0.00 33.01 30.83 3h4e s GLN 9 CO 0.00 0.48 0.60 -1.64 -0.50 0.00 0.00 175.29 174.23 3h4e s MET 10 N -1.83 4.12 0.09 1.67 -1.94 -1.26 -0.80 119.30 119.36 3h4e s MET 10 Ca 0.38 0.51 0.01 0.00 -1.71 0.00 0.00 55.69 54.88 3h4e s MET 10 Cb -0.16 -3.63 -0.04 0.00 2.01 0.00 0.00 34.83 33.00 3h4e s MET 10 CO 0.20 -0.36 -0.06 0.14 -0.01 0.00 0.00 175.02 174.93 3h4e s VAL 11 N 2.33 0.63 0.31 -6.03 -7.23 0.63 -4.92 120.40 106.13 3h4e s VAL 11 Ca 0.25 -1.92 -0.27 0.00 -1.81 0.00 0.00 61.98 58.24 3h4e s VAL 11 Cb -0.16 -1.66 -0.10 0.00 0.56 0.00 0.00 36.38 35.03 3h4e s VAL 11 CO 0.09 -0.89 0.97 -2.28 -0.31 0.00 0.00 175.10 172.68 3h4e s HIS 12 N -3.66 3.69 -0.02 2.82 2.46 -1.26 -0.84 115.29 118.46 3h4e s HIS 12 Ca 0.11 1.79 -0.03 0.00 0.47 0.00 0.00 55.06 57.40 3h4e s HIS 12 Cb 0.06 -3.00 0.01 0.00 -0.13 0.00 0.00 32.58 29.51 3h4e s HIS 12 CO -0.05 0.08 0.07 -1.14 -2.47 0.00 0.00 174.74 171.22 3h4e s GLN 13 N -1.87 0.11 0.39 2.88 0.74 -0.17 -4.93 119.66 116.81 3h4e s GLN 13 Ca 0.49 0.05 -0.27 0.00 0.05 0.00 0.00 55.36 55.68 3h4e s GLN 13 Cb -0.22 0.05 -0.10 0.00 1.10 0.00 0.00 33.01 33.84 3h4e s GLN 13 CO 0.28 -0.02 1.42 0.00 -0.55 0.00 0.00 175.29 176.42 3h4e s ILE 15 N -1.16 2.40 0.27 0.00 2.07 -1.26 -4.64 121.20 118.87 3h4e s ILE 15 Ca 0.54 0.35 -0.13 0.00 -1.41 0.00 0.00 60.65 60.01 3h4e s ILE 15 Cb -0.43 -3.22 -0.08 0.00 0.13 0.00 0.00 42.46 38.85 3h4e s ILE 15 CO 0.58 0.06 0.65 -0.94 -1.91 0.00 0.00 174.94 173.38 3h4e s SER 16 N 0.23 6.73 0.43 4.50 1.04 -1.26 -4.94 113.70 120.43 3h4e s SER 16 Ca 0.58 1.12 0.17 0.00 0.48 0.00 0.00 55.95 58.31 3h4e s SER 16 Cb -0.44 -2.31 1.09 0.00 0.10 0.00 0.00 66.02 64.46 3h4e s SER 16 CO 0.49 -0.12 1.90 -0.65 0.98 0.00 0.00 173.24 175.83 3h4e h PRO 17 N 2.51 0.37 -0.16 4.02 0.11 -1.99 -0.69 132.00 136.17 3h4e h PRO 17 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3h4e h PRO 17 Cb 1.17 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3h4e h PRO 17 CO 0.67 0.25 0.05 0.00 -0.21 0.00 0.00 178.00 178.75 3h4e h ARG 18 N 0.38 0.25 0.00 1.05 3.08 -1.99 -1.75 114.38 115.40 3h4e h ARG 18 Ca 0.41 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.40 3h4e h ARG 18 Cb 1.01 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.02 3h4e h ARG 18 CO -0.13 0.38 -0.00 1.15 -1.07 0.00 0.00 179.97 180.29 3h4e h THR 19 N 0.08 1.12 -0.49 2.04 2.02 -1.64 -0.97 112.91 115.07 3h4e h THR 19 Ca 0.05 -0.37 0.10 0.00 0.77 0.00 0.00 66.41 66.96 3h4e h THR 19 Cb 0.23 1.37 -0.10 0.00 -1.74 0.00 0.00 68.15 67.92 3h4e h THR 19 CO -0.00 0.10 -0.18 -0.07 0.37 0.00 0.00 175.52 175.74 3h4e h LEU 20 N -0.16 -0.63 -0.32 2.58 3.38 -1.18 -2.23 115.31 116.75 3h4e h LEU 20 Ca -0.00 0.16 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 3h4e h LEU 20 Cb 0.16 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3h4e h LEU 20 CO 0.00 -0.21 -0.55 -1.13 0.09 0.00 0.00 178.44 176.64 3h4e h ASN 21 N -0.07 0.95 -0.38 -0.43 -1.24 -1.25 -2.40 115.58 110.76 3h4e h ASN 21 Ca 0.23 -0.51 0.05 0.00 0.71 0.00 0.00 56.30 56.78 3h4e h ASN 21 Cb 0.43 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 39.16 3h4e h ASN 21 CO -0.54 1.30 0.13 0.00 -1.29 0.00 0.00 177.43 177.04 3h4e h ALA 22 N 0.71 0.45 -0.12 1.57 0.00 -0.96 -1.31 119.26 119.60 3h4e h ALA 22 Ca 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3h4e h ALA 22 Cb 1.15 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3h4e h ALA 22 CO 0.12 -0.26 0.02 2.35 0.00 0.00 0.00 179.25 181.48 3h4e h TRP 23 N 0.28 0.21 -0.69 0.00 2.91 -1.33 -1.22 115.95 116.10 3h4e h TRP 23 Ca 0.18 -0.03 0.08 0.00 1.13 0.00 0.00 58.89 60.25 3h4e h TRP 23 Cb 0.16 -0.06 -0.06 0.00 -0.51 0.00 0.00 29.16 28.69 3h4e h TRP 23 CO -0.15 0.39 0.36 0.28 -1.03 0.00 0.00 178.44 178.29 3h4e h VAL 24 N -0.04 0.90 -0.60 2.65 2.07 -1.33 -2.55 116.25 117.36 3h4e h VAL 24 Ca 0.04 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 3h4e h VAL 24 Cb 0.30 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3h4e h VAL 24 CO 0.00 0.12 0.06 0.11 0.02 0.00 0.00 177.57 177.88 3h4e h LYS 25 N 0.64 1.01 -0.61 1.57 1.79 -1.03 -2.01 116.57 117.93 3h4e h LYS 25 Ca 0.33 -0.29 0.06 0.00 -2.18 0.00 0.00 60.65 58.56 3h4e h LYS 25 Cb 0.29 -0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 30.78 3h4e h LYS 25 CO -0.23 0.97 0.32 0.28 -1.08 0.00 0.00 179.45 179.71 3h4e h VAL 26 N 0.91 0.95 -0.40 0.50 2.07 -0.90 -0.06 116.25 119.32 3h4e h VAL 26 Ca 0.18 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 3h4e h VAL 26 Cb 0.48 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3h4e h VAL 26 CO 0.02 0.11 -0.08 0.58 0.02 0.00 0.00 177.57 178.22 3h4e h VAL 27 N 0.61 1.27 -0.75 2.57 2.07 -1.29 0.94 116.25 121.68 3h4e h VAL 27 Ca 0.27 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.65 3h4e h VAL 27 Cb 0.18 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3h4e h VAL 27 CO -0.18 0.39 0.50 -0.33 0.02 0.00 0.00 177.57 177.97 3h4e h GLU 28 N 0.59 0.96 0.07 1.57 5.08 -1.00 -0.92 114.58 120.92 3h4e h GLU 28 Ca 0.10 -0.06 -0.34 0.00 -1.00 0.00 0.00 59.36 58.06 3h4e h GLU 28 Cb 0.60 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 3h4e h GLU 28 CO 0.04 0.63 -1.96 0.39 -1.00 0.00 0.00 179.01 177.11 3h4e n GLU 29 N -4.43 0.70 -0.01 2.33 1.02 -0.07 -4.49 120.64 115.70 3h4e n GLU 29 Ca 0.09 0.25 0.02 0.00 -0.02 0.00 0.00 57.16 57.49 3h4e n GLU 29 Cb 0.06 -1.71 0.02 0.00 -0.02 0.00 0.00 31.44 29.78 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 -3.27 -0.13 0.00 3.49 4.76 0.31 -5.06 118.16 118.26 3h4e n LYS 30 Ca -0.28 -0.82 0.00 0.00 -2.87 0.00 0.00 58.31 54.34 3h4e n LYS 30 Cb 1.05 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.17 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 0.18 0.00 -1.66 7.82 0.00 -0.35 -1.61 120.51 124.89 3h4e n ALA 31 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.40 3h4e n ALA 31 Cb 0.12 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.72 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 14.00 1.14 -1.63 0.00 3.72 -1.26 -4.73 117.46 128.70 3h4e n PHE 32 Ca 0.00 -1.78 -0.41 0.00 -0.05 0.00 0.00 57.45 55.21 3h4e n PHE 32 Cb 0.00 -0.39 0.02 0.00 -0.94 0.00 0.00 39.48 38.17 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 -1.01 1.45 -0.20 4.37 2.88 -0.63 -4.56 113.62 115.91 3h4e n SER 33 Ca 0.31 1.02 0.16 0.00 -1.33 0.00 0.00 58.87 59.03 3h4e n SER 33 Cb 0.86 -1.39 0.48 0.00 -0.75 0.00 0.00 64.21 63.41 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 1.51 0.46 0.00 -1.46 0.11 -1.91 -1.66 132.00 129.05 3h4e h PRO 34 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3h4e h PRO 34 Cb 1.33 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3h4e h PRO 34 CO 0.57 0.30 0.00 -0.85 -0.21 0.00 0.00 178.00 177.81 3h4e n GLU 35 N -4.50 0.07 0.21 1.05 0.00 -1.26 -2.36 120.64 113.84 3h4e n GLU 35 Ca 0.16 0.22 0.05 0.00 0.00 0.00 0.00 57.16 57.59 3h4e n GLU 35 Cb 0.56 -1.50 0.45 0.00 0.00 0.00 0.00 31.44 30.95 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 1.07 -0.02 3.84 2.07 -1.64 -3.16 116.25 118.41 3h4e h VAL 36 Ca 0.00 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 3h4e h VAL 36 Cb 0.20 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3h4e h VAL 36 CO 0.00 0.28 -0.06 0.40 0.02 0.00 0.00 177.57 178.22 3h4e h ILE 37 N 0.00 1.48 -0.54 4.57 2.04 -1.68 0.18 117.51 123.57 3h4e h ILE 37 Ca -0.00 -1.51 0.10 0.00 1.00 0.00 0.00 64.86 64.45 3h4e h ILE 37 Cb 0.56 2.45 -0.03 0.00 -0.74 0.00 0.00 36.82 39.06 3h4e h ILE 37 CO 0.04 0.40 0.37 -0.65 0.00 0.00 0.00 178.15 178.30 3h4e h PRO 38 N -0.53 0.30 -0.31 2.37 0.11 -1.75 -0.30 132.00 131.89 3h4e h PRO 38 Ca -0.00 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.93 3h4e h PRO 38 Cb 0.68 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 3h4e h PRO 38 CO 0.01 0.20 -0.45 1.98 -0.21 0.00 0.00 178.00 179.53 3h4e h MET 39 N 0.31 0.82 -0.39 1.05 4.05 -1.48 -2.24 114.93 117.04 3h4e h MET 39 Ca 0.25 -0.46 -0.06 0.00 -0.28 0.00 0.00 59.70 59.15 3h4e h MET 39 Cb 0.58 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.39 3h4e h MET 39 CO -0.06 1.09 0.02 0.35 0.23 0.00 0.00 176.91 178.54 3h4e h PHE 40 N 0.65 0.73 -0.87 1.39 3.57 -0.03 -1.50 116.94 120.89 3h4e h PHE 40 Ca 0.04 -0.12 0.07 0.00 3.53 0.00 0.00 57.97 61.48 3h4e h PHE 40 Cb 1.03 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.51 3h4e h PHE 40 CO 0.06 0.75 0.54 1.03 -2.23 0.00 0.00 178.31 178.45 3h4e h SER 41 N 0.51 0.84 -0.07 0.41 0.87 -1.01 -2.15 113.55 112.94 3h4e h SER 41 Ca 0.11 0.02 -0.23 0.00 -1.23 0.00 0.00 61.79 60.47 3h4e h SER 41 Cb 0.44 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3h4e h SER 41 CO 0.02 0.53 -0.83 0.00 -0.53 0.00 0.00 176.83 176.01 3h4e h ALA 42 N 1.41 0.20 0.00 6.23 0.00 -1.30 -3.15 119.26 122.65 3h4e h ALA 42 Ca 0.38 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3h4e h ALA 42 Cb 0.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3h4e h ALA 42 CO -0.18 0.61 0.00 -0.07 0.00 0.00 0.00 179.25 179.61 3h4e h LEU 43 N 0.37 0.00 -3.39 0.00 3.38 -1.04 -2.54 115.31 112.08 3h4e h LEU 43 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3h4e h LEU 43 Cb 1.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 3h4e h LEU 43 CO 0.17 0.00 0.02 -1.54 0.09 0.00 0.00 178.44 177.18 3h4e n SER 44 N -2.74 4.41 -4.68 -0.43 3.41 -0.83 -4.98 113.62 107.78 3h4e n SER 44 Ca 0.01 -3.06 -0.44 0.00 -0.26 0.00 0.00 58.87 55.12 3h4e n SER 44 Cb 0.24 -0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 63.55 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 4.23 0.45 3.77 0.00 0.00 -1.26 -4.84 105.19 107.54 3h4e n GLY 46 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.92 3.50 0.68 4.61 0.00 -0.32 -0.77 121.76 127.55 3h4e s ALA 47 Ca 0.00 1.29 -0.11 0.00 0.00 0.00 0.00 51.96 53.14 3h4e s ALA 47 Cb 0.00 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 3h4e s ALA 47 CO 0.00 -0.68 1.08 0.95 0.00 0.00 0.00 175.76 177.11 3h4e s THR 48 N -1.14 3.85 0.32 0.00 -4.23 -1.26 -4.39 115.64 108.79 3h4e s THR 48 Ca 0.49 0.60 0.06 0.00 -1.18 0.00 0.00 61.69 61.66 3h4e s THR 48 Cb -0.40 -3.59 0.31 0.00 1.34 0.00 0.00 72.50 70.15 3h4e s THR 48 CO 0.54 -0.78 1.83 -0.65 -0.54 0.00 0.00 174.62 175.01 3h4e h PRO 49 N -0.56 0.78 -0.22 3.99 0.11 -1.86 -0.22 132.00 134.02 3h4e h PRO 49 Ca -0.45 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.63 3h4e h PRO 49 Cb 1.23 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3h4e h PRO 49 CO 0.63 0.52 0.10 0.37 -0.21 0.00 0.00 178.00 179.41 3h4e h GLN 50 N 0.81 0.22 -0.65 1.05 4.15 -1.90 -1.37 115.11 117.41 3h4e h GLN 50 Ca 0.50 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.94 3h4e h GLN 50 Cb 0.71 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.31 3h4e h GLN 50 CO -0.27 0.14 0.40 -0.44 -1.93 0.00 0.00 178.83 176.73 3h4e h ASP 51 N 0.22 0.65 -0.56 -0.69 3.32 -1.61 -1.40 116.42 116.35 3h4e h ASP 51 Ca 0.09 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.16 3h4e h ASP 51 Cb 0.03 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3h4e h ASP 51 CO -0.07 0.45 0.36 -0.07 -1.72 0.00 0.00 179.24 178.19 3h4e h LEU 52 N 0.78 0.61 -0.90 1.55 3.38 -0.81 -1.62 115.31 118.29 3h4e h LEU 52 Ca 0.27 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 3h4e h LEU 52 Cb 0.04 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3h4e h LEU 52 CO -0.11 0.44 0.21 0.78 0.09 0.00 0.00 178.44 179.85 3h4e h ASN 53 N 0.73 0.95 -0.33 -0.43 2.35 -0.87 -2.04 115.58 115.94 3h4e h ASN 53 Ca 0.21 -0.16 0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3h4e h ASN 53 Cb -0.05 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.03 3h4e h ASN 53 CO -0.06 0.88 0.08 0.74 -1.65 0.00 0.00 177.43 177.42 3h4e h THR 54 N 0.98 0.86 -0.46 2.81 2.02 -0.75 0.13 112.91 118.50 3h4e h THR 54 Ca 0.22 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 3h4e h THR 54 Cb 0.27 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3h4e h THR 54 CO -0.01 0.04 0.16 0.24 0.37 0.00 0.00 175.52 176.32 3h4e h MET 55 N 0.20 0.71 0.03 6.66 2.86 -0.96 -1.77 114.93 122.65 3h4e h MET 55 Ca 0.15 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3h4e h MET 55 Cb 0.16 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3h4e h MET 55 CO -0.19 0.66 -0.01 -0.07 1.06 0.00 0.00 176.91 178.36 3h4e h LEU 56 N 0.61 -0.03 -1.21 1.22 3.38 -1.14 -3.18 115.31 114.95 3h4e h LEU 56 Ca 0.15 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3h4e h LEU 56 Cb 0.23 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3h4e h LEU 56 CO -0.01 0.12 0.00 0.78 0.09 0.00 0.00 178.44 179.42 3h4e h ASN 57 N -0.19 0.00 0.72 -0.43 2.35 -0.53 -2.36 115.58 115.14 3h4e h ASN 57 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h4e h ASN 57 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3h4e h ASN 57 CO 0.01 0.00 -0.13 0.35 -1.65 0.00 0.00 177.43 176.01 3h4e n THR 58 N -2.55 0.00 -2.26 2.81 -2.24 -0.68 -4.76 114.28 104.60 3h4e n THR 58 Ca 0.01 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 3h4e n THR 58 Cb 0.21 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 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 -2.85 3.80 -0.17 2.28 1.01 -0.89 -4.96 120.40 118.62 3h4e s VAL 59 Ca 0.18 1.17 -0.23 0.00 0.00 0.00 0.00 61.98 63.10 3h4e s VAL 59 Cb 0.19 -3.75 -0.21 0.00 0.00 0.00 0.00 36.38 32.61 3h4e s VAL 59 CO 0.55 -0.00 0.43 1.23 0.00 0.00 0.00 175.10 177.30 3h4e h GLY 60 N 8.32 0.00 0.00 4.51 0.00 -1.89 -3.48 103.07 110.52 3h4e h GLY 60 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3h4e h GLY 60 CO 0.90 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.05 3h4e n GLY 61 N 1.53 0.98 4.25 4.60 0.00 -1.26 -4.67 105.19 110.63 3h4e n GLY 61 Ca -0.21 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.70 0.23 1.61 8.25 -1.26 -4.83 115.22 117.52 3h4e n HIS 62 Ca 0.00 0.79 0.09 0.00 -0.26 0.00 0.00 57.72 58.34 3h4e n HIS 62 Cb 0.00 -2.85 0.56 0.00 1.12 0.00 0.00 29.99 28.83 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 -1.44 0.00 -0.04 -0.41 1.08 -1.95 -0.70 115.11 111.65 3h4e h GLN 63 Ca -0.59 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 56.62 3h4e h GLN 63 Cb 1.38 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.80 3h4e h GLN 63 CO 0.79 0.21 -0.05 0.00 -0.95 0.00 0.00 178.83 178.84 3h4e h ALA 64 N 1.79 -0.01 -0.53 3.87 0.00 -1.99 0.27 119.26 122.66 3h4e h ALA 64 Ca -0.00 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3h4e h ALA 64 Cb 0.52 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3h4e h ALA 64 CO 0.03 -0.53 0.13 0.00 0.00 0.00 0.00 179.25 178.88 3h4e h ALA 65 N 0.98 0.70 -0.52 0.00 0.00 -1.73 -0.87 119.26 117.82 3h4e h ALA 65 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3h4e h ALA 65 Cb 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3h4e h ALA 65 CO -0.08 0.40 0.26 0.52 0.00 0.00 0.00 179.25 180.35 3h4e h MET 66 N 0.75 0.72 -0.19 0.00 2.07 -1.02 -0.42 114.93 116.83 3h4e h MET 66 Ca 0.17 -0.08 -0.11 0.00 -2.07 0.00 0.00 59.70 57.61 3h4e h MET 66 Cb 0.34 -0.14 -0.00 0.00 -1.87 0.00 0.00 31.60 29.92 3h4e h MET 66 CO 0.00 0.55 -0.30 0.37 1.07 0.00 0.00 176.91 178.60 3h4e h GLN 67 N 0.72 0.54 -0.75 1.72 5.75 -0.45 -2.14 115.11 120.51 3h4e h GLN 67 Ca 0.18 -0.33 0.06 0.00 -0.15 0.00 0.00 58.65 58.42 3h4e h GLN 67 Cb 0.05 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.58 3h4e h GLN 67 CO -0.03 0.93 0.44 0.52 -2.65 0.00 0.00 178.83 178.04 3h4e h MET 68 N 0.20 0.77 -0.56 1.69 2.86 -0.78 -2.57 114.93 116.55 3h4e h MET 68 Ca 0.02 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 3h4e h MET 68 Cb 0.89 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 32.32 3h4e h MET 68 CO 0.07 0.51 0.29 1.25 1.06 0.00 0.00 176.91 180.09 3h4e h LEU 69 N 0.80 0.42 -0.94 1.22 5.85 -0.94 -0.78 115.31 120.94 3h4e h LEU 69 Ca 0.33 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.18 3h4e h LEU 69 Cb 0.19 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 3h4e h LEU 69 CO -0.18 0.29 0.58 0.11 -0.34 0.00 0.00 178.44 178.90 3h4e h LYS 70 N 0.56 0.95 -0.29 1.25 1.57 -1.00 -0.55 116.57 119.06 3h4e h LYS 70 Ca 0.25 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 3h4e h LYS 70 Cb 0.15 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3h4e h LYS 70 CO -0.16 0.63 0.07 0.93 -0.57 0.00 0.00 179.45 180.34 3h4e h GLU 71 N 0.98 0.46 -0.56 3.15 5.08 -0.88 -1.09 114.58 121.72 3h4e h GLU 71 Ca 0.44 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.73 3h4e h GLU 71 Cb 0.35 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 3h4e h GLU 71 CO -0.23 0.54 0.32 1.15 -1.00 0.00 0.00 179.01 179.79 3h4e h THR 72 N 0.30 1.01 -0.36 1.13 2.02 -0.76 -1.28 112.91 114.96 3h4e h THR 72 Ca 0.09 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 67.07 3h4e h THR 72 Cb 0.29 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3h4e h THR 72 CO 0.00 0.11 0.21 0.40 0.37 0.00 0.00 175.52 176.61 3h4e h ILE 73 N 0.62 1.03 -0.65 3.11 2.04 -0.93 -1.73 117.51 120.99 3h4e h ILE 73 Ca 0.24 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.99 3h4e h ILE 73 Cb 0.09 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 3h4e h ILE 73 CO -0.13 0.08 0.39 0.78 0.00 0.00 0.00 178.15 179.27 3h4e h ASN 74 N 0.42 0.63 0.04 1.72 2.35 -0.80 0.12 115.58 120.07 3h4e h ASN 74 Ca 0.14 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.92 3h4e h ASN 74 Cb 0.01 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 3h4e h ASN 74 CO -0.07 0.43 -0.22 -0.33 -1.65 0.00 0.00 177.43 175.59 3h4e h GLU 75 N 0.77 -0.36 -0.56 0.81 5.08 -0.88 -1.10 114.58 118.34 3h4e h GLU 75 Ca 0.27 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 3h4e h GLU 75 Cb 0.05 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3h4e h GLU 75 CO -0.12 -0.24 0.27 0.93 -1.00 0.00 0.00 179.01 178.85 3h4e h GLU 76 N -0.37 0.79 -0.52 2.33 4.39 -0.85 -0.05 114.58 120.30 3h4e h GLU 76 Ca 0.05 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 3h4e h GLU 76 Cb 0.43 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3h4e h GLU 76 CO -0.17 0.61 0.08 0.00 -1.16 0.00 0.00 179.01 178.36 3h4e h ALA 77 N 1.51 0.69 -0.61 3.43 0.00 -0.62 -0.26 119.26 123.40 3h4e h ALA 77 Ca 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3h4e h ALA 77 Cb 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3h4e h ALA 77 CO -0.03 0.43 0.33 0.00 0.00 0.00 0.00 179.25 179.98 3h4e h ALA 78 N 0.97 0.79 -0.49 0.00 0.00 -0.36 -0.83 119.26 119.34 3h4e h ALA 78 Ca 0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3h4e h ALA 78 Cb 0.41 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3h4e h ALA 78 CO 0.01 0.32 0.16 1.49 0.00 0.00 0.00 179.25 181.23 3h4e h GLU 79 N 0.83 0.71 -0.28 0.00 4.57 -0.81 -0.58 114.58 119.03 3h4e h GLU 79 Ca 0.21 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 3h4e h GLU 79 Cb 0.06 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3h4e h GLU 79 CO -0.03 0.62 0.01 2.35 -1.18 0.00 0.00 179.01 180.78 3h4e h TRP 80 N 0.70 0.53 -0.93 0.92 2.91 -0.47 -2.47 115.95 117.13 3h4e h TRP 80 Ca 0.17 -0.09 -0.00 0.00 1.13 0.00 0.00 58.89 60.09 3h4e h TRP 80 Cb 0.19 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 28.66 3h4e h TRP 80 CO 0.01 0.62 0.56 -0.44 -1.03 0.00 0.00 178.44 178.16 3h4e h ASP 81 N 0.28 1.12 -0.64 2.65 3.32 -0.74 0.13 116.42 122.54 3h4e h ASP 81 Ca 0.08 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.09 3h4e h ASP 81 Cb 0.40 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 3h4e h ASP 81 CO 0.01 0.86 0.39 -0.09 -1.72 0.00 0.00 179.24 178.69 3h4e h ARG 82 N 1.28 0.75 -0.00 3.56 2.43 -0.97 -2.75 114.38 118.68 3h4e h ARG 82 Ca 0.33 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3h4e h ARG 82 Cb -0.06 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 3h4e h ARG 82 CO -0.06 0.50 -0.35 1.28 -1.51 0.00 0.00 179.97 179.82 3h4e n LEU 83 N -4.71 0.37 -3.28 3.80 4.77 -0.87 -4.43 117.00 112.64 3h4e n LEU 83 Ca 0.06 0.13 -0.25 0.00 -0.03 0.00 0.00 56.01 55.93 3h4e n LEU 83 Cb 0.09 -0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 40.78 3h4e n LEU 83 CO 0.33 0.09 -0.27 1.41 -1.33 0.00 0.00 177.39 177.61 3h4e n HIS 84 N -1.48 -0.16 -1.71 -1.77 8.25 0.39 -5.08 115.22 113.67 3h4e n HIS 84 Ca 0.06 -3.55 -0.43 0.00 -0.26 0.00 0.00 57.72 53.55 3h4e n HIS 84 Cb 0.34 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 3h4e n HIS 84 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3h4e s PRO 85 N -0.92 3.13 -0.28 -0.41 0.02 -1.19 -4.67 135.00 130.67 3h4e s PRO 85 Ca 0.34 1.84 -0.28 0.00 0.02 0.00 0.00 61.00 62.93 3h4e s PRO 85 Cb 0.13 -4.34 -0.05 0.00 0.02 0.00 0.00 34.50 30.25 3h4e s PRO 85 CO -0.13 -2.10 2.27 0.54 -0.33 0.00 0.00 177.00 177.24 3h4e s VAL 86 N 8.13 3.01 0.15 3.83 0.11 -1.26 -4.91 120.40 129.46 3h4e s VAL 86 Ca 0.95 0.01 -0.31 0.00 -2.93 0.00 0.00 61.98 59.70 3h4e s VAL 86 Cb -0.30 -3.01 -0.08 0.00 -1.53 0.00 0.00 36.38 31.46 3h4e s VAL 86 CO 0.34 -0.01 1.35 -1.00 -3.33 0.00 0.00 175.10 172.45 3h4e s HIS 87 N 9.25 3.26 0.72 1.54 3.76 -1.26 -5.01 115.29 127.54 3h4e s HIS 87 Ca 1.00 1.07 -0.12 0.00 -0.15 0.00 0.00 55.06 56.87 3h4e s HIS 87 Cb -0.29 -3.64 0.03 0.00 1.11 0.00 0.00 32.58 29.78 3h4e s HIS 87 CO 0.33 -2.14 1.08 0.00 -0.85 0.00 0.00 174.74 173.16 3h4e s ALA 88 N 0.70 2.45 0.00 -1.40 0.00 -1.26 -4.96 121.76 117.29 3h4e s ALA 88 Ca 0.61 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.83 3h4e s ALA 88 Cb -0.36 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.51 3h4e s ALA 88 CO 0.33 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 175.04 3h4e n GLY 89 N -1.34 3.66 3.83 0.00 0.00 -1.26 -5.11 105.19 104.97 3h4e n GLY 89 Ca 0.09 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 3h4e n GLY 89 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h4e s PRO 90 N -2.90 2.33 -0.23 1.61 0.02 -1.26 -5.00 135.00 129.57 3h4e s PRO 90 Ca 0.00 0.55 -0.23 0.00 0.02 0.00 0.00 61.00 61.34 3h4e s PRO 90 Cb 0.00 -1.95 -0.01 0.00 0.02 0.00 0.00 34.50 32.56 3h4e s PRO 90 CO 0.00 -1.43 0.77 0.42 -0.33 0.00 0.00 177.00 176.43 3h4e s ILE 91 N -3.24 4.89 0.41 2.83 1.09 -1.26 -5.03 121.20 120.89 3h4e s ILE 91 Ca 0.60 1.45 -0.25 0.00 -1.10 0.00 0.00 60.65 61.36 3h4e s ILE 91 Cb -0.13 -4.07 -0.11 0.00 -1.06 0.00 0.00 42.46 37.10 3h4e s ILE 91 CO 0.53 -0.02 1.03 0.00 -0.10 0.00 0.00 174.94 176.38 3h4e n ALA 92 N 5.76 0.27 -1.67 9.38 0.00 -1.26 -4.84 120.51 128.15 3h4e n ALA 92 Ca 0.04 0.24 -0.45 0.00 0.00 0.00 0.00 53.44 53.26 3h4e n ALA 92 Cb 0.48 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.80 3h4e n ALA 92 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3h4e n PRO 93 N 0.16 2.46 -0.77 0.00 -0.02 -1.26 -1.01 135.00 134.55 3h4e n PRO 93 Ca 0.09 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 3h4e n PRO 93 Cb 0.39 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 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 4.57 0.55 3.77 -1.23 0.00 -1.26 -5.07 105.19 106.52 3h4e n GLY 94 Ca 0.22 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 3h4e n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h4e s GLN 95 N -1.13 2.20 0.24 1.61 -1.52 -0.18 -5.08 119.66 115.79 3h4e s GLN 95 Ca 0.00 -2.39 0.09 0.00 -1.95 0.00 0.00 55.36 51.10 3h4e s GLN 95 Cb 0.00 -1.55 -0.05 0.00 -0.22 0.00 0.00 33.01 31.19 3h4e s GLN 95 CO 0.00 -0.38 -0.14 -1.64 -0.25 0.00 0.00 175.29 172.88 3h4e s MET 96 N -3.90 1.45 0.32 2.91 -1.94 -1.26 -4.83 119.30 112.05 3h4e s MET 96 Ca 0.06 -1.67 -0.29 0.00 -1.71 0.00 0.00 55.69 52.08 3h4e s MET 96 Cb 0.01 -1.29 -0.11 0.00 2.01 0.00 0.00 34.83 35.45 3h4e s MET 96 CO 0.03 0.20 1.55 -0.98 -0.01 0.00 0.00 175.02 175.82 3h4e s ARG 97 N -3.62 4.12 0.55 2.03 1.70 -1.26 -4.94 118.95 117.53 3h4e s ARG 97 Ca 0.25 2.57 -0.22 0.00 -0.47 0.00 0.00 55.73 57.87 3h4e s ARG 97 Cb -0.01 -3.01 -0.05 0.00 -0.57 0.00 0.00 34.95 31.32 3h4e s ARG 97 CO 0.10 -0.59 1.37 0.39 -1.08 0.00 0.00 175.30 175.48 3h4e n GLU 98 N 1.62 1.68 -2.82 3.89 1.02 -1.26 -4.96 120.64 119.82 3h4e n GLU 98 Ca 0.06 0.62 -0.42 0.00 -0.02 0.00 0.00 57.16 57.40 3h4e n GLU 98 Cb 0.38 -2.59 -0.03 0.00 -0.02 0.00 0.00 31.44 29.18 3h4e n GLU 98 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3h4e s PRO 99 N -2.93 4.40 0.86 3.49 0.02 -1.26 -5.01 135.00 134.57 3h4e s PRO 99 Ca 0.72 1.18 -0.12 0.00 0.02 0.00 0.00 61.00 62.80 3h4e s PRO 99 Cb -0.41 -3.53 0.11 0.00 0.02 0.00 0.00 34.50 30.69 3h4e s PRO 99 CO 0.49 -0.22 1.15 1.03 -0.33 0.00 0.00 177.00 179.12 3h4e s ARG 100 N 1.71 1.56 0.23 5.54 0.52 -1.26 -4.89 118.95 122.35 3h4e s ARG 100 Ca 0.44 0.25 -0.07 0.00 -0.52 0.00 0.00 55.73 55.82 3h4e s ARG 100 Cb -0.18 -1.89 0.32 0.00 0.52 0.00 0.00 34.95 33.72 3h4e s ARG 100 CO 0.17 -1.90 1.80 0.78 0.02 0.00 0.00 175.30 176.17 3h4e h GLY 101 N -1.28 1.09 2.00 -3.53 0.00 -1.92 -0.67 103.07 98.76 3h4e h GLY 101 Ca -0.48 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.59 3h4e h GLY 101 CO 0.63 0.11 0.00 1.48 0.00 0.00 0.00 176.54 178.76 3h4e h SER 102 N 0.68 0.00 -0.12 0.19 4.64 -1.93 -2.37 113.55 114.63 3h4e h SER 102 Ca 0.35 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.49 3h4e h SER 102 Cb 0.30 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3h4e h SER 102 CO -0.23 0.00 -0.62 0.44 -0.87 0.00 0.00 176.83 175.55 3h4e h ASP 103 N 0.00 0.76 0.04 4.97 3.32 -1.47 -0.59 116.42 123.45 3h4e h ASP 103 Ca 0.00 -0.64 -0.09 0.00 0.02 0.00 0.00 57.03 56.32 3h4e h ASP 103 Cb 0.52 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3h4e h ASP 103 CO 0.00 1.27 -0.29 0.40 -1.72 0.00 0.00 179.24 178.91 3h4e h ILE 104 N 0.29 1.27 -0.08 0.35 2.04 -1.04 -2.41 117.51 117.93 3h4e h ILE 104 Ca -0.04 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.53 3h4e h ILE 104 Cb 1.26 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 3h4e h ILE 104 CO 0.13 0.40 0.00 0.00 0.00 0.00 0.00 178.15 178.68 3h4e n ALA 105 N -2.48 2.56 -1.07 1.87 0.00 -0.93 -4.64 120.51 115.82 3h4e n ALA 105 Ca -0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 53.44 53.12 3h4e n ALA 105 Cb 0.41 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 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 0.91 0.55 0.13 0.00 0.00 -0.91 -4.89 105.19 100.99 3h4e n GLY 106 Ca 0.14 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 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 1.19 0.00 2.61 2.02 -1.35 -3.38 112.91 114.00 3h4e h THR 107 Ca -0.05 -2.75 0.00 0.00 0.77 0.00 0.00 66.41 64.38 3h4e h THR 107 Cb 0.36 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 3h4e h THR 107 CO 0.08 0.84 -0.03 0.35 0.37 0.00 0.00 175.52 177.12 3h4e n THR 108 N -3.57 1.06 -4.43 3.16 -2.24 -0.94 -5.03 114.28 102.30 3h4e n THR 108 Ca -0.17 -1.17 -0.27 0.00 -2.27 0.00 0.00 64.05 60.17 3h4e n THR 108 Cb 1.06 0.36 -0.12 0.00 -2.10 0.00 0.00 70.33 69.54 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 -1.40 3.46 0.46 3.42 1.04 -1.26 -4.85 113.70 114.56 3h4e s SER 109 Ca 0.09 -0.88 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 3h4e s SER 109 Cb 0.08 -0.26 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 3h4e s SER 109 CO 0.01 0.11 0.69 0.42 0.98 0.00 0.00 173.24 175.45 3h4e s THR 110 N -1.76 4.15 0.21 2.02 -4.23 -1.26 -4.89 115.64 109.87 3h4e s THR 110 Ca 0.22 -0.38 -0.09 0.00 -1.18 0.00 0.00 61.69 60.26 3h4e s THR 110 Cb -0.08 -3.55 0.14 0.00 1.34 0.00 0.00 72.50 70.36 3h4e s THR 110 CO 0.10 -0.41 1.78 0.25 -0.54 0.00 0.00 174.62 175.80 3h4e h LEU 111 N 0.35 0.43 -0.65 4.79 5.85 -1.99 -1.27 115.31 122.83 3h4e h LEU 111 Ca -0.46 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.37 3h4e h LEU 111 Cb 1.25 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.19 3h4e h LEU 111 CO 0.58 0.27 0.34 1.56 -0.34 0.00 0.00 178.44 180.85 3h4e h GLN 112 N 0.58 0.59 -0.43 1.25 7.50 -1.98 0.16 115.11 122.77 3h4e h GLN 112 Ca 0.30 -0.04 -0.07 0.00 0.50 0.00 0.00 58.65 59.35 3h4e h GLN 112 Cb 0.27 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 27.65 3h4e h GLN 112 CO -0.23 0.39 0.00 0.93 -1.50 0.00 0.00 178.83 178.43 3h4e h GLU 113 N 0.61 0.76 -0.27 1.46 5.08 -1.85 0.16 114.58 120.52 3h4e h GLU 113 Ca 0.30 -0.24 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3h4e h GLU 113 Cb 0.24 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3h4e h GLU 113 CO -0.21 0.83 0.01 1.96 -1.00 0.00 0.00 179.01 180.59 3h4e h GLN 114 N 0.60 0.09 -0.89 2.33 4.20 -0.54 0.13 115.11 121.01 3h4e h GLN 114 Ca 0.12 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 3h4e h GLN 114 Cb 0.48 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 3h4e h GLN 114 CO 0.02 0.06 0.51 0.82 -0.67 0.00 0.00 178.83 179.57 3h4e h ILE 115 N 0.09 1.25 -0.04 2.54 2.04 -0.57 -1.19 117.51 121.64 3h4e h ILE 115 Ca 0.13 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.41 3h4e h ILE 115 Cb 0.16 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.23 3h4e h ILE 115 CO -0.21 0.28 -0.24 1.23 0.00 0.00 0.00 178.15 179.21 3h4e h GLY 116 N 1.24 -0.33 1.01 5.37 0.00 0.50 -1.21 103.07 109.66 3h4e h GLY 116 Ca 0.32 0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.88 3h4e h GLY 116 CO -0.05 -0.20 0.16 1.49 0.00 0.00 0.00 176.54 177.94 3h4e h TRP 117 N -0.36 0.98 0.00 5.60 6.55 -0.43 -2.12 115.95 126.18 3h4e h TRP 117 Ca 0.07 -0.11 -0.10 0.00 0.95 0.00 0.00 58.89 59.70 3h4e h TRP 117 Cb 0.46 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.46 3h4e h TRP 117 CO -0.30 0.83 -0.49 0.52 -1.05 0.00 0.00 178.44 177.95 3h4e h MET 118 N 0.86 0.00 -0.37 0.49 2.86 -1.01 0.88 114.93 118.64 3h4e h MET 118 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3h4e h MET 118 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3h4e h MET 118 CO -0.00 0.49 0.00 0.25 1.06 0.00 0.00 176.91 178.71 3h4e n THR 119 N -3.61 1.52 -1.54 2.22 -2.24 -0.47 -4.68 114.28 105.47 3h4e n THR 119 Ca -0.00 -1.31 -0.30 0.00 -2.27 0.00 0.00 64.05 60.17 3h4e n THR 119 Cb 0.57 0.21 0.10 0.00 -2.10 0.00 0.00 70.33 69.11 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 -1.69 2.78 -0.27 4.78 5.04 -0.80 -4.91 115.29 120.21 3h4e s HIS 120 Ca 0.33 1.11 0.01 0.00 -1.54 0.00 0.00 55.06 54.97 3h4e s HIS 120 Cb 0.22 -3.16 0.08 0.00 0.04 0.00 0.00 32.58 29.76 3h4e s HIS 120 CO 0.15 -1.87 0.01 1.21 -2.34 0.00 0.00 174.74 171.90 3h4e s ASN 121 N -3.91 4.03 0.63 9.88 2.47 -1.26 -0.85 114.94 125.93 3h4e s ASN 121 Ca 0.61 -1.46 -0.12 0.00 0.42 0.00 0.00 52.86 52.31 3h4e s ASN 121 Cb -0.14 -1.17 -0.03 0.00 -1.45 0.00 0.00 41.25 38.46 3h4e s ASN 121 CO 0.54 -0.31 1.04 -2.16 -3.72 0.00 0.00 177.10 172.49 3h4e s PRO 122 N 1.37 3.40 0.47 0.43 0.05 -1.26 -5.14 135.00 134.32 3h4e s PRO 122 Ca 0.01 0.90 -0.21 0.00 0.05 0.00 0.00 61.00 61.74 3h4e s PRO 122 Cb -0.18 -2.05 -0.08 0.00 0.05 0.00 0.00 34.50 32.24 3h4e s PRO 122 CO -0.11 -0.73 1.09 -2.14 0.05 0.00 0.00 177.00 175.16 3h4e s PRO 123 N -4.86 3.76 -0.40 0.56 0.02 -0.03 -5.01 135.00 129.04 3h4e s PRO 123 Ca 0.57 1.55 -0.07 0.00 0.02 0.00 0.00 61.00 63.07 3h4e s PRO 123 Cb -0.12 -2.24 0.08 0.00 0.02 0.00 0.00 34.50 32.23 3h4e s PRO 123 CO 0.49 -0.50 0.21 0.42 -0.33 0.00 0.00 177.00 177.29 3h4e s ILE 124 N -1.76 3.87 -1.27 2.83 1.01 0.29 -4.98 121.20 121.19 3h4e s ILE 124 Ca 0.66 -1.51 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 3h4e s ILE 124 Cb -0.22 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 3h4e s ILE 124 CO 0.27 -0.47 2.24 -0.81 0.00 0.00 0.00 174.94 176.16 3h4e n PRO 125 N 4.81 2.56 -0.21 2.79 -0.05 -1.26 -3.57 135.00 140.07 3h4e n PRO 125 Ca -0.09 -2.28 0.02 0.00 -0.05 0.00 0.00 63.50 61.10 3h4e n PRO 125 Cb 0.43 -3.08 0.27 0.00 -0.05 0.00 0.00 33.50 31.07 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 3.96 1.16 -0.03 0.52 -1.51 -1.91 -1.02 116.25 117.42 3h4e h VAL 126 Ca 0.57 -0.33 0.03 0.00 -1.23 0.00 0.00 66.70 65.74 3h4e h VAL 126 Cb 0.57 0.11 -0.05 0.00 -2.13 0.00 0.00 31.29 29.79 3h4e h VAL 126 CO 1.87 0.18 -0.27 1.23 -1.23 0.00 0.00 177.57 179.34 3h4e h GLY 127 N 0.96 -0.40 2.00 5.19 0.00 -1.84 -0.68 103.07 108.30 3h4e h GLY 127 Ca 0.28 0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.85 3h4e h GLY 127 CO -0.07 -0.21 -0.42 0.83 0.00 0.00 0.00 176.54 176.66 3h4e h GLU 128 N -0.40 0.00 -0.02 4.80 4.39 -1.55 -0.03 114.58 121.78 3h4e h GLU 128 Ca 0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 3h4e h GLU 128 Cb 0.49 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3h4e h GLU 128 CO -0.25 0.42 -0.01 0.82 -1.16 0.00 0.00 179.01 178.83 3h4e h ILE 129 N 0.00 1.34 -0.53 3.13 2.04 -1.08 -2.36 117.51 120.06 3h4e h ILE 129 Ca -0.00 -1.04 0.03 0.00 1.00 0.00 0.00 64.86 64.84 3h4e h ILE 129 Cb 0.77 2.01 -0.04 0.00 -0.74 0.00 0.00 36.82 38.82 3h4e h ILE 129 CO 0.06 0.27 0.31 0.22 0.00 0.00 0.00 178.15 179.01 3h4e h TYR 130 N -0.38 0.57 -0.87 1.37 3.20 -0.93 -2.12 116.97 117.80 3h4e h TYR 130 Ca 0.00 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.97 3h4e h TYR 130 Cb 0.45 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.48 3h4e h TYR 130 CO 0.08 0.32 0.56 -0.22 -1.64 0.00 0.00 178.16 177.26 3h4e h LYS 131 N 0.61 0.89 -0.64 1.82 3.64 -0.98 -0.90 116.57 121.00 3h4e h LYS 131 Ca 0.22 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3h4e h LYS 131 Cb 0.05 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 3h4e h LYS 131 CO -0.11 0.59 0.36 -0.09 -2.27 0.00 0.00 179.45 177.94 3h4e h ARG 132 N 0.92 0.89 -0.09 1.90 2.43 -0.83 -1.16 114.38 118.44 3h4e h ARG 132 Ca 0.39 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 3h4e h ARG 132 Cb 0.31 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3h4e h ARG 132 CO -0.15 0.66 0.02 -1.49 -1.51 0.00 0.00 179.97 177.51 3h4e h TRP 133 N 0.88 0.15 -0.49 2.20 6.55 -0.88 -2.04 115.95 122.32 3h4e h TRP 133 Ca 0.23 -0.02 0.08 0.00 0.95 0.00 0.00 58.89 60.13 3h4e h TRP 133 Cb 0.02 -0.04 -0.06 0.00 -0.86 0.00 0.00 29.16 28.22 3h4e h TRP 133 CO -0.01 0.31 0.12 0.82 -1.05 0.00 0.00 178.44 178.63 3h4e h ILE 134 N -0.06 0.77 -0.41 1.49 2.04 -1.06 -1.67 117.51 118.61 3h4e h ILE 134 Ca 0.03 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 3h4e h ILE 134 Cb 0.23 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3h4e h ILE 134 CO -0.00 0.05 0.08 0.40 0.00 0.00 0.00 178.15 178.68 3h4e h ILE 135 N 0.27 1.19 -0.29 -0.67 2.04 -1.13 0.85 117.51 119.77 3h4e h ILE 135 Ca 0.24 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.41 3h4e h ILE 135 Cb 0.30 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3h4e h ILE 135 CO -0.29 0.25 0.17 -0.07 0.00 0.00 0.00 178.15 178.22 3h4e h LEU 136 N 0.60 0.29 -0.31 1.44 3.38 -0.58 0.18 115.31 120.32 3h4e h LEU 136 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3h4e h LEU 136 Cb 0.26 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3h4e h LEU 136 CO -0.00 0.21 0.20 1.23 0.09 0.00 0.00 178.44 180.17 3h4e h GLY 137 N 0.36 0.45 0.95 0.83 0.00 -0.89 -2.75 103.07 102.01 3h4e h GLY 137 Ca 0.11 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.28 3h4e h GLY 137 CO -0.04 0.17 0.47 1.41 0.00 0.00 0.00 176.54 178.55 3h4e h LEU 138 N 0.41 0.80 -1.24 3.11 3.38 -0.58 -2.18 115.31 119.01 3h4e h LEU 138 Ca 0.11 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3h4e h LEU 138 Cb -0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3h4e h LEU 138 CO -0.02 0.57 0.52 0.78 0.09 0.00 0.00 178.44 180.38 3h4e h ASN 139 N 0.94 0.86 -0.13 -0.43 2.35 -0.82 0.02 115.58 118.37 3h4e h ASN 139 Ca 0.28 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3h4e h ASN 139 Cb -0.05 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 3h4e h ASN 139 CO -0.08 0.60 0.07 0.11 -1.65 0.00 0.00 177.43 176.48 3h4e h LYS 140 N 1.01 0.18 -0.75 0.81 1.57 -1.12 -2.03 116.57 116.24 3h4e h LYS 140 Ca 0.31 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.09 3h4e h LYS 140 Cb -0.00 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 3h4e h LYS 140 CO -0.08 0.20 0.48 0.82 -0.57 0.00 0.00 179.45 180.30 3h4e h ILE 141 N 0.11 1.14 -0.55 1.86 2.04 -0.69 -1.26 117.51 120.16 3h4e h ILE 141 Ca 0.05 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 3h4e h ILE 141 Cb 0.08 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 3h4e h ILE 141 CO -0.01 0.17 0.34 0.58 0.00 0.00 0.00 178.15 179.23 3h4e h VAL 142 N 0.96 1.16 -0.69 1.67 2.07 -0.87 -0.64 116.25 119.92 3h4e h VAL 142 Ca 0.29 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 3h4e h VAL 142 Cb -0.04 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3h4e h VAL 142 CO -0.09 0.16 0.18 0.03 0.02 0.00 0.00 177.57 177.88 3h4e h ARG 143 N 0.74 1.07 -0.53 1.57 3.08 -0.90 -2.46 114.38 116.95 3h4e h ARG 143 Ca 0.20 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 3h4e h ARG 143 Cb -0.03 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3h4e h ARG 143 CO -0.04 0.94 -0.01 0.52 -1.07 0.00 0.00 179.97 180.31 3h4e h MET 144 N 1.03 0.95 -0.00 0.04 2.86 -0.95 -3.11 114.93 115.73 3h4e h MET 144 Ca 0.22 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3h4e h MET 144 Cb 0.33 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3h4e h MET 144 CO -0.00 0.97 -0.05 0.66 1.06 0.00 0.00 176.91 179.55 3h4e n TYR 145 N -4.26 0.00 -1.81 -0.22 4.02 -0.27 -4.80 117.16 109.81 3h4e n TYR 145 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 3h4e n TYR 145 Cb 0.34 -0.13 -0.03 0.00 -0.02 0.00 0.00 39.34 39.49 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 -2.31 6.51 -0.05 7.72 0.15 -0.94 -4.93 113.70 119.85 3h4e s SER 146 Ca 0.35 2.60 -0.26 0.00 0.70 0.00 0.00 55.95 59.35 3h4e s SER 146 Cb 0.21 -2.56 -0.22 0.00 -1.71 0.00 0.00 66.02 61.74 3h4e s SER 146 CO 0.43 -0.96 1.12 -0.65 1.20 0.00 0.00 173.24 174.37 3h4e h PRO 147 N 8.90 0.08 -6.30 5.44 0.11 -1.90 -3.47 132.00 134.86 3h4e h PRO 147 Ca -0.45 -0.07 -0.67 0.00 0.11 0.00 0.00 66.00 64.93 3h4e h PRO 147 Cb 1.21 0.01 -0.15 0.00 0.11 0.00 0.00 31.00 32.18 3h4e h PRO 147 CO 0.94 0.73 -0.68 0.99 -0.21 0.00 0.00 178.00 179.76 3h4e s THR 148 N -3.57 3.81 0.47 -1.15 2.01 -1.26 -5.11 115.64 110.85 3h4e s THR 148 Ca -0.16 -0.83 -0.20 0.00 0.31 0.00 0.00 61.69 60.82 3h4e s THR 148 Cb 0.01 -2.71 -0.09 0.00 0.01 0.00 0.00 72.50 69.71 3h4e s THR 148 CO 0.70 0.31 0.99 -0.55 -0.69 0.00 0.00 174.62 175.38 3h4e s SER 149 N -1.71 6.64 0.54 3.53 0.15 -1.26 -4.88 113.70 116.71 3h4e s SER 149 Ca 0.20 1.74 0.32 0.00 0.70 0.00 0.00 55.95 58.91 3h4e s SER 149 Cb -0.11 -2.54 1.46 0.00 -1.71 0.00 0.00 66.02 63.12 3h4e s SER 149 CO 0.11 -0.57 2.03 -0.29 1.20 0.00 0.00 173.24 175.72 3h4e h ILE 150 N 1.53 0.23 0.00 6.45 6.09 -1.96 -2.73 117.51 127.12 3h4e h ILE 150 Ca -0.49 -0.56 0.00 0.00 -1.37 0.00 0.00 64.86 62.44 3h4e h ILE 150 Cb 1.19 1.45 0.00 0.00 0.47 0.00 0.00 36.82 39.93 3h4e h ILE 150 CO 0.60 0.07 0.00 -0.07 -3.07 0.00 0.00 178.15 175.68 3h4e h LEU 151 N 0.00 0.00 -1.80 2.19 3.38 -2.01 -3.02 115.31 114.05 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 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3h4e h LEU 151 CO 0.01 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.01 3h4e n ASP 152 N -2.80 2.64 -4.44 -0.43 8.00 -1.03 -4.81 116.55 113.68 3h4e n ASP 152 Ca 0.02 -1.95 -0.44 0.00 0.71 0.00 0.00 54.79 53.13 3h4e n ASP 152 Cb 0.33 -0.29 -0.08 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.42 5.09 -0.00 0.53 -1.09 -1.14 -5.04 121.20 118.13 3h4e s ILE 153 Ca 0.34 -0.64 0.03 0.00 -2.23 0.00 0.00 60.65 58.14 3h4e s ILE 153 Cb 0.18 -4.14 -0.01 0.00 -1.58 0.00 0.00 42.46 36.92 3h4e s ILE 153 CO 0.25 -0.58 -0.08 -0.13 -1.23 0.00 0.00 174.94 173.17 3h4e s ARG 154 N 2.09 0.66 0.14 2.79 3.00 -1.26 -4.88 118.95 121.48 3h4e s ARG 154 Ca 0.10 -0.33 -0.31 0.00 0.00 0.00 0.00 55.73 55.19 3h4e s ARG 154 Cb -0.20 -0.63 -0.10 0.00 0.00 0.00 0.00 34.95 34.03 3h4e s ARG 154 CO 0.11 0.17 1.62 -1.14 0.00 0.00 0.00 175.30 176.06 3h4e s GLN 155 N -0.29 4.20 0.96 3.54 0.74 -0.89 -4.97 119.66 122.96 3h4e s GLN 155 Ca 0.02 2.39 -0.11 0.00 0.05 0.00 0.00 55.36 57.71 3h4e s GLN 155 Cb -0.04 -3.30 0.14 0.00 1.10 0.00 0.00 33.01 30.91 3h4e s GLN 155 CO -0.00 -0.67 0.94 0.41 -0.55 0.00 0.00 175.29 175.42 3h4e n GLY 156 N 3.87 -0.99 0.17 2.59 0.00 -1.26 -4.30 105.19 105.27 3h4e n GLY 156 Ca 0.15 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.93 0.23 -0.06 1.61 0.11 -2.02 -3.13 132.00 126.80 3h4e h PRO 157 Ca -0.46 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.51 3h4e h PRO 157 Cb 1.28 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3h4e h PRO 157 CO 0.40 0.72 0.00 1.63 -0.21 0.00 0.00 178.00 180.54 3h4e n LYS 158 N -3.91 1.94 -3.04 1.05 4.76 -1.26 -5.00 118.16 112.69 3h4e n LYS 158 Ca -0.02 -2.42 -0.40 0.00 -2.87 0.00 0.00 58.31 52.60 3h4e n LYS 158 Cb 0.58 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 32.26 3h4e n LYS 158 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3h4e s GLU 159 N -2.46 4.37 0.56 1.97 2.12 -1.19 -5.04 118.70 119.03 3h4e s GLU 159 Ca 0.28 0.84 -0.21 0.00 0.36 0.00 0.00 54.97 56.23 3h4e s GLU 159 Cb 0.24 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 3h4e s GLU 159 CO 0.04 -0.05 1.34 -2.30 -0.54 0.00 0.00 175.26 173.75 3h4e n PRO 160 N 4.25 1.60 -0.24 4.30 -0.02 -1.26 -4.64 135.00 139.00 3h4e n PRO 160 Ca -0.01 0.59 -0.03 0.00 -2.02 0.00 0.00 63.50 62.03 3h4e n PRO 160 Cb 0.51 -2.56 0.08 0.00 -0.02 0.00 0.00 33.50 31.50 3h4e n PRO 160 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3h4e h PHE 161 N 1.30 0.77 -0.52 6.00 3.57 -1.97 -2.37 116.94 123.72 3h4e h PHE 161 Ca -0.51 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.09 3h4e h PHE 161 Cb 1.31 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.74 3h4e h PHE 161 CO 0.45 0.43 0.19 -0.09 -2.23 0.00 0.00 178.31 177.05 3h4e h ARG 162 N 0.80 0.36 -0.28 1.11 2.43 -1.91 -0.09 114.38 116.80 3h4e h ARG 162 Ca 0.27 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 3h4e h ARG 162 Cb 0.05 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3h4e h ARG 162 CO -0.12 0.24 0.07 -0.44 -1.51 0.00 0.00 179.97 178.21 3h4e h ASP 163 N 0.37 0.36 -0.06 -3.80 3.32 -1.80 -0.42 116.42 114.39 3h4e h ASP 163 Ca 0.25 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 3h4e h ASP 163 Cb 0.28 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3h4e h ASP 163 CO -0.26 0.38 -0.34 0.22 -1.72 0.00 0.00 179.24 177.52 3h4e h TYR 164 N 0.40 0.47 -0.79 4.55 3.20 -0.99 -2.69 116.97 121.12 3h4e h TYR 164 Ca 0.10 -0.21 0.01 0.00 3.14 0.00 0.00 58.73 61.76 3h4e h TYR 164 Cb 0.16 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 3h4e h TYR 164 CO 0.00 0.95 0.51 0.28 -1.64 0.00 0.00 178.16 178.27 3h4e h VAL 165 N -0.15 1.21 -0.08 1.81 2.07 -0.81 0.03 116.25 120.33 3h4e h VAL 165 Ca -0.02 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.14 3h4e h VAL 165 Cb 1.00 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3h4e h VAL 165 CO 0.07 0.20 -0.15 0.44 0.02 0.00 0.00 177.57 178.15 3h4e h ASP 166 N 1.07 -0.45 -0.40 0.57 3.45 -1.06 -1.55 116.42 118.06 3h4e h ASP 166 Ca 0.29 0.08 -0.06 0.00 0.43 0.00 0.00 57.03 57.76 3h4e h ASP 166 Cb -0.11 0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.85 3h4e h ASP 166 CO -0.06 -0.20 0.04 0.03 -1.57 0.00 0.00 179.24 177.48 3h4e h ARG 167 N -0.21 0.76 0.56 3.56 3.08 -1.10 -0.33 114.38 120.70 3h4e h ARG 167 Ca 0.08 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3h4e h ARG 167 Cb 0.32 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.27 3h4e h ARG 167 CO -0.20 0.74 -0.27 0.35 -1.07 0.00 0.00 179.97 179.52 3h4e h PHE 168 N 0.72 -0.70 0.00 3.04 3.57 -0.65 -2.15 116.94 120.76 3h4e h PHE 168 Ca 0.15 -0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.50 3h4e h PHE 168 Cb 0.38 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 3h4e h PHE 168 CO 0.02 -0.43 -0.65 1.88 -2.23 0.00 0.00 178.31 176.90 3h4e h TYR 169 N -0.76 0.00 -0.35 0.41 0.05 -1.20 -0.77 116.97 114.34 3h4e h TYR 169 Ca -0.08 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.74 3h4e h TYR 169 Cb 0.58 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.29 3h4e h TYR 169 CO -0.04 0.65 0.15 -0.22 -1.05 0.00 0.00 178.16 177.65 3h4e h LYS 170 N 0.00 0.31 -0.11 4.88 3.64 -1.05 -1.30 116.57 122.94 3h4e h LYS 170 Ca -0.01 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3h4e h LYS 170 Cb 1.20 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3h4e h LYS 170 CO 0.08 0.20 -0.06 1.15 -2.27 0.00 0.00 179.45 178.56 3h4e h THR 171 N 0.32 1.32 -0.89 1.00 2.02 -1.19 -2.45 112.91 113.04 3h4e h THR 171 Ca 0.16 -1.09 0.11 0.00 0.77 0.00 0.00 66.41 66.36 3h4e h THR 171 Cb 0.10 1.81 -0.07 0.00 -1.74 0.00 0.00 68.15 68.25 3h4e h THR 171 CO -0.13 0.31 0.57 0.25 0.37 0.00 0.00 175.52 176.89 3h4e h LEU 172 N -0.12 0.76 -0.42 2.58 5.85 -1.11 -1.48 115.31 121.37 3h4e h LEU 172 Ca 0.02 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.62 3h4e h LEU 172 Cb 0.52 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3h4e h LEU 172 CO 0.02 0.43 -0.37 -0.09 -0.34 0.00 0.00 178.44 178.09 3h4e h ARG 173 N 0.83 0.92 -0.42 1.25 2.43 -0.97 -2.81 114.38 115.62 3h4e h ARG 173 Ca 0.42 -0.48 -0.15 0.00 -0.81 0.00 0.00 59.98 58.97 3h4e h ARG 173 Cb 0.49 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3h4e h ARG 173 CO -0.19 1.13 -0.33 0.00 -1.51 0.00 0.00 179.97 179.07 3h4e h ALA 174 N 0.81 0.61 -0.77 2.80 0.00 -1.13 -0.09 119.26 121.49 3h4e h ALA 174 Ca 0.07 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3h4e h ALA 174 Cb 0.96 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 3h4e h ALA 174 CO 0.09 0.68 0.38 0.93 0.00 0.00 0.00 179.25 181.33 3h4e h GLU 175 N 0.80 1.10 -0.01 0.00 4.39 -1.20 -2.88 114.58 116.78 3h4e h GLU 175 Ca 0.08 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3h4e h GLU 175 Cb 0.92 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 3h4e h GLU 175 CO 0.09 0.84 -0.70 1.04 -1.16 0.00 0.00 179.01 179.12 3h4e n GLN 176 N -4.32 0.79 -3.80 2.33 6.02 -1.07 -4.79 117.38 112.53 3h4e n GLN 176 Ca 0.08 -0.53 -0.24 0.00 -0.01 0.00 0.00 57.00 56.30 3h4e n GLN 176 Cb 0.13 -1.46 0.02 0.00 1.02 0.00 0.00 30.24 29.95 3h4e n GLN 176 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h4e n ALA 177 N -0.70 -1.83 -3.52 -1.58 0.00 -0.16 -4.96 120.51 107.76 3h4e n ALA 177 Ca 0.07 -0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 3h4e n ALA 177 Cb 0.39 -2.46 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 3h4e n ALA 177 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h4e s SER 178 N -4.11 -0.41 0.00 0.00 0.15 -0.52 -5.03 113.70 103.79 3h4e s SER 178 Ca 0.17 0.19 0.11 0.00 0.70 0.00 0.00 55.95 57.12 3h4e s SER 178 Cb -0.08 0.39 0.01 0.00 -1.71 0.00 0.00 66.02 64.63 3h4e s SER 178 CO 0.83 -0.56 0.70 0.00 1.20 0.00 0.00 173.24 175.41 3h4e n GLN 179 N 0.15 1.80 -2.85 5.44 6.02 -1.26 -4.11 117.38 122.56 3h4e n GLN 179 Ca -0.11 -0.72 -0.44 0.00 -0.01 0.00 0.00 57.00 55.73 3h4e n GLN 179 Cb 0.60 -1.13 -0.01 0.00 1.02 0.00 0.00 30.24 30.72 3h4e n GLN 179 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3h4e s GLU 180 N -1.37 3.90 0.00 -1.09 8.01 -1.26 -4.55 118.70 122.34 3h4e s GLU 180 Ca 0.10 -2.15 0.00 0.00 0.01 0.00 0.00 54.97 52.93 3h4e s GLU 180 Cb 0.09 -5.13 0.00 0.00 -4.31 0.00 0.00 34.13 24.78 3h4e s GLU 180 CO 0.26 -1.88 0.00 1.33 0.01 0.00 0.00 175.26 174.97 3h4e n VAL 181 N 5.32 0.00 -1.95 2.63 0.24 -1.26 -4.97 118.33 118.34 3h4e n VAL 181 Ca 0.35 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.41 3h4e n VAL 181 Cb 0.46 -0.11 -0.07 0.00 -1.47 0.00 0.00 33.84 32.65 3h4e n VAL 181 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3h4e s LYS 182 N -1.06 2.20 0.43 7.34 2.36 -1.26 -4.72 119.74 125.02 3h4e s LYS 182 Ca 0.00 -0.75 0.04 0.00 -2.55 0.00 0.00 55.97 52.72 3h4e s LYS 182 Cb 0.00 -5.13 0.04 0.00 -1.05 0.00 0.00 37.83 31.70 3h4e s LYS 182 CO 0.00 -4.19 0.37 0.27 1.55 0.00 0.00 175.35 173.36 3h4e n ASN 183 N 15.60 2.23 0.23 1.43 0.23 -1.26 -4.98 115.26 128.74 3h4e n ASN 183 Ca 0.43 -2.42 0.07 0.00 -0.53 0.00 0.00 54.58 52.14 3h4e n ASN 183 Cb 0.46 -0.09 0.55 0.00 -2.08 0.00 0.00 39.78 38.63 3h4e n ASN 183 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h4e h ALA 184 N 0.60 1.60 0.22 -2.53 0.00 -1.99 -1.72 119.26 115.44 3h4e h ALA 184 Ca -0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3h4e h ALA 184 Cb 0.98 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3h4e h ALA 184 CO 0.40 0.22 -0.11 0.00 0.00 0.00 0.00 179.25 179.76 3h4e h ALA 185 N 1.82 -0.30 -0.19 0.00 0.00 -1.95 -1.53 119.26 117.12 3h4e h ALA 185 Ca -0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3h4e h ALA 185 Cb 0.33 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3h4e h ALA 185 CO 0.02 -0.54 -0.12 1.79 0.00 0.00 0.00 179.25 180.40 3h4e h THR 186 N -0.55 1.19 -0.39 0.00 1.35 -1.80 -1.14 112.91 111.56 3h4e h THR 186 Ca -0.03 -0.82 -0.00 0.00 -0.55 0.00 0.00 66.41 65.01 3h4e h THR 186 Cb 0.41 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 3h4e h THR 186 CO 0.05 0.26 0.23 -0.33 -0.25 0.00 0.00 175.52 175.48 3h4e h GLU 187 N 0.28 0.54 -0.56 4.72 5.08 -1.20 -0.19 114.58 123.25 3h4e h GLU 187 Ca 0.06 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 3h4e h GLU 187 Cb 0.39 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3h4e h GLU 187 CO 0.02 0.41 -0.01 1.79 -1.00 0.00 0.00 179.01 180.22 3h4e h THR 188 N 0.51 1.26 0.00 1.13 1.35 -0.85 -3.14 112.91 113.18 3h4e h THR 188 Ca 0.14 -1.12 -0.11 0.00 -0.55 0.00 0.00 66.41 64.77 3h4e h THR 188 Cb 0.01 0.84 -0.02 0.00 -1.73 0.00 0.00 68.15 67.25 3h4e h THR 188 CO -0.03 0.40 -0.55 0.25 -0.25 0.00 0.00 175.52 175.35 3h4e h LEU 189 N 0.89 0.00 -0.03 3.87 5.85 -0.96 -0.51 115.31 124.42 3h4e h LEU 189 Ca 0.16 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3h4e h LEU 189 Cb 0.53 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 3h4e h LEU 189 CO 0.03 0.55 -0.00 0.25 -0.34 0.00 0.00 178.44 178.92 3h4e h LEU 190 N 0.00 0.06 -0.44 2.25 5.85 -0.99 -1.88 115.31 120.16 3h4e h LEU 190 Ca -0.01 -0.33 -0.09 0.00 0.84 0.00 0.00 57.88 58.30 3h4e h LEU 190 Cb 0.98 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3h4e h LEU 190 CO 0.07 0.38 -0.06 -0.37 -0.34 0.00 0.00 178.44 178.12 3h4e h VAL 191 N -0.26 1.27 -0.92 1.05 -1.51 -1.52 -3.00 116.25 111.36 3h4e h VAL 191 Ca 0.01 -1.14 0.10 0.00 -1.23 0.00 0.00 66.70 64.43 3h4e h VAL 191 Cb 0.35 1.12 -0.07 0.00 -2.13 0.00 0.00 31.29 30.56 3h4e h VAL 191 CO 0.00 0.39 0.59 0.06 -1.23 0.00 0.00 177.57 177.38 3h4e h GLN 192 N 0.65 0.90 -0.46 5.19 -0.00 -1.05 -2.65 115.11 117.70 3h4e h GLN 192 Ca 0.12 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 3h4e h GLN 192 Cb 0.58 -0.20 0.00 0.00 -0.00 0.00 0.00 27.48 27.86 3h4e h GLN 192 CO 0.03 0.60 0.00 0.09 -0.00 0.00 0.00 178.83 179.55 3h4e n ASN 193 N -4.54 2.91 -4.79 0.06 3.02 -0.71 -4.93 115.26 106.28 3h4e n ASN 193 Ca 0.16 -1.95 -0.33 0.00 -0.03 0.00 0.00 54.58 52.42 3h4e n ASN 193 Cb 0.30 -0.30 0.01 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 -1.39 2.71 0.97 5.41 0.00 -1.00 -2.09 121.76 126.36 3h4e s ALA 194 Ca 0.37 0.49 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 3h4e s ALA 194 Cb 0.20 -3.26 0.17 0.00 0.00 0.00 0.00 23.12 20.23 3h4e s ALA 194 CO 0.27 -0.82 1.09 0.54 0.00 0.00 0.00 175.76 176.84 3h4e s ASN 195 N -2.53 2.67 0.13 0.00 2.20 -1.26 -4.58 114.94 111.55 3h4e s ASN 195 Ca 0.66 1.71 -0.23 0.00 -0.94 0.00 0.00 52.86 54.05 3h4e s ASN 195 Cb -0.18 -2.33 -0.04 0.00 -2.00 0.00 0.00 41.25 36.70 3h4e s ASN 195 CO 0.34 -3.18 1.67 -0.65 -2.94 0.00 0.00 177.10 172.34 3h4e h PRO 196 N -1.92 -0.21 -0.01 3.55 0.11 -1.93 0.45 132.00 132.03 3h4e h PRO 196 Ca -0.51 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3h4e h PRO 196 Cb 1.29 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.40 3h4e h PRO 196 CO 0.50 -0.14 -0.26 -0.44 -0.21 0.00 0.00 178.00 177.44 3h4e h ASP 197 N -0.22 -0.79 -0.42 -2.05 3.32 -1.97 -2.62 116.42 111.68 3h4e h ASP 197 Ca 0.08 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 3h4e h ASP 197 Cb 0.33 0.32 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 3h4e h ASP 197 CO -0.21 -0.33 0.20 0.00 -1.72 0.00 0.00 179.24 177.18 3h4e h LYS 199 N 0.53 0.79 -0.00 0.00 3.64 -0.65 0.12 116.57 121.00 3h4e h LYS 199 Ca 0.14 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3h4e h LYS 199 Cb 0.12 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3h4e h LYS 199 CO -0.02 0.52 -0.00 1.79 -2.27 0.00 0.00 179.45 179.47 3h4e h THR 200 N 0.81 1.40 -1.00 1.00 1.35 -1.39 -1.88 112.91 113.20 3h4e h THR 200 Ca 0.50 -1.20 0.08 0.00 -0.55 0.00 0.00 66.41 65.24 3h4e h THR 200 Cb 0.69 2.21 -0.07 0.00 -1.73 0.00 0.00 68.15 69.25 3h4e h THR 200 CO -0.26 0.31 0.64 0.40 -0.25 0.00 0.00 175.52 176.36 3h4e h ILE 201 N -0.49 1.05 -0.07 6.82 2.04 -1.21 -1.74 117.51 123.90 3h4e h ILE 201 Ca 0.00 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3h4e h ILE 201 Cb 0.51 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3h4e h ILE 201 CO 0.00 0.21 -0.08 -0.07 0.00 0.00 0.00 178.15 178.21 3h4e h LEU 202 N 1.13 0.20 -2.01 1.44 3.38 -0.80 -2.59 115.31 116.05 3h4e h LEU 202 Ca 0.45 -0.49 0.15 0.00 0.09 0.00 0.00 57.88 58.08 3h4e h LEU 202 Cb 0.24 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3h4e h LEU 202 CO -0.20 0.65 0.41 0.11 0.09 0.00 0.00 178.44 179.51 3h4e h LYS 203 N -0.25 0.00 -0.18 1.13 6.56 -1.07 -1.77 116.57 120.99 3h4e h LYS 203 Ca 0.01 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.43 3h4e h LYS 203 Cb 0.60 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.25 3h4e h LYS 203 CO 0.02 0.00 -0.60 0.00 -2.06 0.00 0.00 179.45 176.81 3h4e h ALA 204 N 1.68 0.61 0.00 3.86 0.00 -0.94 -2.74 119.26 121.72 3h4e h ALA 204 Ca 0.25 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3h4e h ALA 204 Cb 1.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3h4e h ALA 204 CO -0.00 0.70 0.00 1.28 0.00 0.00 0.00 179.25 181.23 3h4e n LEU 205 N -3.95 0.35 0.00 0.00 4.77 -0.67 -4.97 117.00 112.53 3h4e n LEU 205 Ca -0.04 0.63 0.04 0.00 -0.03 0.00 0.00 56.01 56.61 3h4e n LEU 205 Cb 0.64 -0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3h4e n LEU 205 CO 0.48 -0.64 -0.05 0.61 -1.33 0.00 0.00 177.39 176.46 3h4e n GLY 206 N -0.88 -2.05 3.79 -0.72 0.00 -1.04 -4.82 105.19 99.48 3h4e n GLY 206 Ca 0.00 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.95 2.47 -0.56 1.61 0.02 -1.26 -4.17 135.00 132.16 3h4e s PRO 207 Ca 0.00 0.95 0.00 0.00 0.02 0.00 0.00 61.00 61.97 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 -1.72 0.47 3.76 0.52 0.00 -1.26 -5.02 105.19 101.94 3h4e n GLY 208 Ca 0.08 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.25 3.40 0.43 4.61 0.00 -1.26 -5.05 121.76 121.64 3h4e s ALA 209 Ca 0.00 0.28 -0.23 0.00 0.00 0.00 0.00 51.96 52.01 3h4e s ALA 209 Cb 0.00 -2.96 -0.09 0.00 0.00 0.00 0.00 23.12 20.07 3h4e s ALA 209 CO 0.00 0.13 1.07 0.95 0.00 0.00 0.00 175.76 177.91 3h4e s THR 210 N -0.34 3.64 0.46 0.00 -4.23 -1.26 -4.89 115.64 109.01 3h4e s THR 210 Ca 0.37 1.18 0.22 0.00 -1.18 0.00 0.00 61.69 62.28 3h4e s THR 210 Cb -0.21 -3.57 0.41 0.00 1.34 0.00 0.00 72.50 70.47 3h4e s THR 210 CO 0.23 -0.06 1.86 0.25 -0.54 0.00 0.00 174.62 176.36 3h4e h LEU 211 N 2.16 0.27 -0.34 4.79 5.85 -1.99 0.53 115.31 126.58 3h4e h LEU 211 Ca -0.49 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 3h4e h LEU 211 Cb 1.22 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3h4e h LEU 211 CO 0.61 0.10 0.09 -0.08 -0.34 0.00 0.00 178.44 178.82 3h4e h GLU 212 N 0.27 0.55 -0.24 1.25 4.81 -1.99 -1.47 114.58 117.75 3h4e h GLU 212 Ca 0.46 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3h4e h GLU 212 Cb 1.35 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 3h4e h GLU 212 CO -0.13 0.59 0.16 0.93 -0.73 0.00 0.00 179.01 179.83 3h4e h GLU 213 N 0.40 0.31 -0.58 1.92 5.08 -1.32 -1.76 114.58 118.64 3h4e h GLU 213 Ca 0.11 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 3h4e h GLU 213 Cb 0.28 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 3h4e h GLU 213 CO -0.00 0.21 0.30 0.52 -1.00 0.00 0.00 179.01 179.03 3h4e h MET 214 N 0.32 0.54 -0.04 2.33 2.86 -1.10 -1.24 114.93 118.59 3h4e h MET 214 Ca 0.09 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.54 3h4e h MET 214 Cb -0.04 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 3h4e h MET 214 CO -0.02 0.36 -0.66 0.52 1.06 0.00 0.00 176.91 178.17 3h4e h MET 215 N 0.56 0.18 -0.53 1.72 2.86 -1.07 -2.32 114.93 116.32 3h4e h MET 215 Ca 0.26 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 3h4e h MET 215 Cb 0.19 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3h4e h MET 215 CO -0.19 0.77 0.03 1.15 1.06 0.00 0.00 176.91 179.74 3h4e h THR 216 N 0.13 1.26 -0.82 2.22 2.02 -1.02 -3.08 112.91 113.61 3h4e h THR 216 Ca -0.01 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.12 3h4e h THR 216 Cb 1.18 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 3h4e h THR 216 CO 0.10 0.38 0.53 0.00 0.37 0.00 0.00 175.52 176.89 3h4e h ALA 217 N 0.96 1.05 -0.55 6.16 0.00 -0.78 -3.02 119.26 123.08 3h4e h ALA 217 Ca 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3h4e h ALA 217 Cb 0.49 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3h4e h ALA 217 CO 0.02 0.48 0.02 0.00 0.00 0.00 0.00 179.25 179.77