#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t35 s THR 3 N 0.00 0.14 -0.05 -0.18 2.01 -1.26 -2.16 115.64 114.14 1t35 s THR 3 Ca 0.00 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 61.84 1t35 s THR 3 Cb 0.00 -0.14 0.01 0.00 0.01 0.00 0.00 72.50 72.37 1t35 s THR 3 CO 0.00 -0.03 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.14 1t35 s ILE 4 N -0.23 1.10 -0.17 1.82 1.01 -0.12 -0.73 121.20 123.88 1t35 s ILE 4 Ca -0.01 -0.50 -0.22 0.00 0.00 0.00 0.00 60.65 59.92 1t35 s ILE 4 Cb -0.02 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 1t35 s ILE 4 CO -0.00 0.34 0.66 0.00 0.00 0.00 0.00 174.94 175.94 1t35 s VAL 6 N 1.68 1.73 -0.15 0.00 1.01 -0.85 -0.99 120.40 122.82 1t35 s VAL 6 Ca 0.32 -1.24 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 1t35 s VAL 6 Cb -0.16 -1.50 0.05 0.00 0.00 0.00 0.00 36.38 34.76 1t35 s VAL 6 CO 0.12 0.21 0.38 0.72 0.00 0.00 0.00 175.10 176.53 1t35 s PHE 7 N -0.82 -0.51 0.18 5.22 -0.12 -1.10 -4.66 117.98 116.17 1t35 s PHE 7 Ca 0.08 1.14 0.03 0.00 -0.05 0.00 0.00 56.93 58.13 1t35 s PHE 7 Cb -0.09 0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 42.49 1t35 s PHE 7 CO 0.02 -0.29 0.12 0.00 -0.05 0.00 0.00 175.22 175.02 1t35 n ALA 8 N 3.85 0.34 -1.20 1.99 0.00 -1.26 -4.50 120.51 119.72 1t35 n ALA 8 Ca -0.21 -1.01 -0.30 0.00 0.00 0.00 0.00 53.44 51.92 1t35 n ALA 8 Cb 0.56 0.77 0.13 0.00 0.00 0.00 0.00 19.45 20.90 1t35 n ALA 8 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1t35 s GLY 9 N -2.22 1.63 0.34 0.00 0.00 -0.40 -4.76 107.32 101.91 1t35 s GLY 9 Ca 0.17 0.03 0.21 0.00 0.00 0.00 0.00 44.72 45.12 1t35 s GLY 9 CO 0.12 0.48 1.42 1.76 0.00 0.00 0.00 173.10 176.89 1t35 h SER 10 N -1.46 0.00 -2.04 1.64 0.02 -1.91 -2.85 113.55 106.95 1t35 h SER 10 Ca -0.48 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 59.98 1t35 h SER 10 Cb 1.27 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.77 1t35 h SER 10 CO 0.53 0.16 -0.48 0.20 -1.14 0.00 0.00 176.83 176.11 1t35 s ASN 11 N -6.10 5.53 0.42 3.07 0.01 -1.26 -2.56 114.94 114.05 1t35 s ASN 11 Ca 0.04 -0.31 0.23 0.00 -0.71 0.00 0.00 52.86 52.11 1t35 s ASN 11 Cb 0.07 -1.26 0.52 0.00 0.41 0.00 0.00 41.25 40.98 1t35 s ASN 11 CO 0.72 -0.19 1.66 1.55 -1.51 0.00 0.00 177.10 179.33 1t35 h PRO 12 N 1.33 0.00 0.00 -0.60 0.13 -1.93 -3.35 132.00 127.59 1t35 h PRO 12 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1t35 h PRO 12 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1t35 h PRO 12 CO 0.59 0.14 0.00 0.41 -0.23 0.00 0.00 178.00 178.92 1t35 n GLY 13 N 0.83 -0.48 0.24 1.56 0.00 -1.26 -4.38 105.19 101.71 1t35 n GLY 13 Ca 0.02 -1.68 0.14 0.00 0.00 0.00 0.00 46.02 44.50 1t35 n GLY 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1t35 h GLY 14 N 0.00 0.00 -5.42 -0.02 0.00 -2.06 -3.44 103.07 92.13 1t35 h GLY 14 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 1t35 h GLY 14 CO 0.00 0.00 -0.51 0.21 0.00 0.00 0.00 176.54 176.24 1t35 s ASN 15 N -6.01 6.21 0.45 0.19 3.84 -1.26 -4.98 114.94 113.38 1t35 s ASN 15 Ca 0.05 0.37 0.20 0.00 0.21 0.00 0.00 52.86 53.69 1t35 s ASN 15 Cb 0.07 -1.95 1.09 0.00 -0.55 0.00 0.00 41.25 39.90 1t35 s ASN 15 CO 0.62 0.35 1.96 -0.08 -2.79 0.00 0.00 177.10 177.16 1t35 h GLU 16 N 4.58 0.00 -0.32 0.43 4.22 -1.92 -3.23 114.58 118.34 1t35 h GLU 16 Ca -0.52 0.00 0.05 0.00 0.08 0.00 0.00 59.36 58.97 1t35 h GLU 16 Cb 1.21 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 1t35 h GLU 16 CO 0.61 0.22 0.01 0.00 -2.18 0.00 0.00 179.01 177.68 1t35 h ALA 17 N 1.78 0.30 -0.11 2.92 0.00 -1.95 -2.59 119.26 119.60 1t35 h ALA 17 Ca -0.00 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1t35 h ALA 17 Cb 0.46 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1t35 h ALA 17 CO 0.03 -0.39 -0.21 1.88 0.00 0.00 0.00 179.25 180.55 1t35 h TYR 18 N 0.11 -0.64 -0.32 0.00 0.05 -1.86 0.86 116.97 115.17 1t35 h TYR 18 Ca 0.15 0.03 0.07 0.00 0.05 0.00 0.00 58.73 59.03 1t35 h TYR 18 Cb 0.20 0.29 -0.07 0.00 1.01 0.00 0.00 36.73 38.16 1t35 h TYR 18 CO -0.22 -0.20 -0.16 -0.22 -1.05 0.00 0.00 178.16 176.32 1t35 h LYS 19 N -0.18 -0.10 0.03 4.88 3.64 -1.75 0.12 116.57 123.20 1t35 h LYS 19 Ca 0.02 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1t35 h LYS 19 Cb 0.24 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 1t35 h LYS 19 CO -0.20 -0.07 -0.42 -0.09 -2.27 0.00 0.00 179.45 176.40 1t35 h ARG 20 N -0.11 -0.57 0.00 1.90 2.43 -1.00 0.61 114.38 117.64 1t35 h ARG 20 Ca 0.16 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1t35 h ARG 20 Cb 0.36 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1t35 h ARG 20 CO -0.39 -0.38 0.00 0.87 -1.51 0.00 0.00 179.97 178.56 1t35 h LYS 21 N -0.59 0.00 -0.01 0.20 1.79 0.13 -2.29 116.57 115.80 1t35 h LYS 21 Ca 0.04 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.49 1t35 h LYS 21 Cb 0.66 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1t35 h LYS 21 CO -0.30 0.00 -0.06 0.00 -1.08 0.00 0.00 179.45 178.01 1t35 h ALA 22 N 2.03 0.02 0.00 3.86 0.00 0.16 -2.77 119.26 122.55 1t35 h ALA 22 Ca 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1t35 h ALA 22 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1t35 h ALA 22 CO 0.00 -0.09 -0.28 0.00 0.00 0.00 0.00 179.25 178.88 1t35 h ALA 23 N 0.31 1.51 0.31 0.00 0.00 -0.94 -2.56 119.26 117.89 1t35 h ALA 23 Ca -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1t35 h ALA 23 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1t35 h ALA 23 CO 0.01 0.35 -0.15 1.49 0.00 0.00 0.00 179.25 180.96 1t35 h GLU 24 N 0.00 -0.40 -0.72 0.00 4.81 -1.40 -0.46 114.58 116.42 1t35 h GLU 24 Ca -0.00 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1t35 h GLU 24 Cb 0.51 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.91 1t35 h GLU 24 CO 0.04 -0.21 0.38 1.25 -0.73 0.00 0.00 179.01 179.74 1t35 h LEU 25 N -0.49 0.54 0.37 1.64 5.85 -1.27 -1.65 115.31 120.29 1t35 h LEU 25 Ca -0.04 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1t35 h LEU 25 Cb 0.37 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1t35 h LEU 25 CO 0.07 0.32 -0.18 1.23 -0.34 0.00 0.00 178.44 179.54 1t35 h GLY 26 N 0.67 -0.51 0.42 3.75 0.00 -1.27 -2.97 103.07 103.16 1t35 h GLY 26 Ca 0.34 0.19 0.09 0.00 0.00 0.00 0.00 47.33 47.95 1t35 h GLY 26 CO -0.24 -0.19 0.23 -0.39 0.00 0.00 0.00 176.54 175.96 1t35 h VAL 27 N -0.59 0.79 0.00 4.60 -1.51 -0.74 -1.92 116.25 116.88 1t35 h VAL 27 Ca -0.05 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 1t35 h VAL 27 Cb 0.43 0.33 0.00 0.00 -2.13 0.00 0.00 31.29 29.92 1t35 h VAL 27 CO 0.08 0.08 0.00 0.00 -1.23 0.00 0.00 177.57 176.50 1t35 n TYR 28 N -4.98 0.00 0.00 5.19 9.36 -0.65 -1.13 117.16 124.94 1t35 n TYR 28 Ca 0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.30 1t35 n TYR 28 Cb 0.26 -0.09 0.00 0.00 -0.63 0.00 0.00 39.34 38.88 1t35 n TYR 28 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1t35 n ALA 30 N 0.95 0.00 0.98 2.98 0.00 -0.72 -2.73 120.51 121.96 1t35 n ALA 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1t35 n ALA 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1t35 n ALA 30 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1t35 n GLU 31 N 0.00 1.04 0.00 0.00 1.02 -0.29 -2.93 120.64 119.48 1t35 n GLU 31 Ca 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1t35 n GLU 31 Cb 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1t35 n GLU 31 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1t35 n GLN 32 N 0.08 -0.02 -0.84 3.49 -0.06 -1.11 -5.00 117.38 113.93 1t35 n GLN 32 Ca 0.00 -0.07 0.00 0.00 -2.00 0.00 0.00 57.00 54.94 1t35 n GLN 32 Cb 0.30 -0.51 0.00 0.00 -4.06 0.00 0.00 30.24 25.96 1t35 n GLN 32 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1t35 n GLY 33 N -0.00 0.87 3.64 1.69 0.00 -1.15 -4.97 105.19 105.27 1t35 n GLY 33 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1t35 n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1t35 s ILE 34 N -3.28 4.51 0.39 -0.61 1.01 -1.26 -4.89 121.20 117.06 1t35 s ILE 34 Ca 0.00 1.76 -0.04 0.00 0.00 0.00 0.00 60.65 62.37 1t35 s ILE 34 Cb 0.00 -4.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 1t35 s ILE 34 CO 0.00 -0.42 0.66 -0.83 0.00 0.00 0.00 174.94 174.35 1t35 s GLY 35 N 1.66 1.55 -0.10 6.18 0.00 -0.92 -4.22 107.32 111.47 1t35 s GLY 35 Ca 0.46 -0.63 -0.06 0.00 0.00 0.00 0.00 44.72 44.49 1t35 s GLY 35 CO 0.14 -0.51 0.14 -2.27 0.00 0.00 0.00 173.10 170.60 1t35 s LEU 36 N -4.29 4.36 -0.09 0.66 2.96 0.49 -0.94 118.68 121.83 1t35 s LEU 36 Ca 0.44 0.44 -0.00 0.00 -0.22 0.00 0.00 54.13 54.79 1t35 s LEU 36 Cb -0.10 -2.17 0.02 0.00 0.50 0.00 0.00 46.19 44.44 1t35 s LEU 36 CO 0.38 0.38 -0.06 -0.69 -1.32 0.00 0.00 176.35 175.04 1t35 s VAL 37 N -1.08 0.81 0.38 1.68 1.01 -0.71 0.54 120.40 123.03 1t35 s VAL 37 Ca 0.17 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 1t35 s VAL 37 Cb -0.12 -0.84 0.05 0.00 0.00 0.00 0.00 36.38 35.47 1t35 s VAL 37 CO 0.07 0.32 0.77 -0.72 0.00 0.00 0.00 175.10 175.54 1t35 s TYR 38 N 1.49 0.18 -1.25 5.22 1.13 -0.94 -2.02 117.35 121.17 1t35 s TYR 38 Ca -0.00 -0.83 0.06 0.00 -1.41 0.00 0.00 57.07 54.88 1t35 s TYR 38 Cb -0.13 0.79 0.26 0.00 -1.10 0.00 0.00 41.96 41.78 1t35 s TYR 38 CO -0.04 -1.55 1.09 0.41 -2.51 0.00 0.00 175.55 172.94 1t35 n GLY 39 N -0.53 -0.56 2.03 5.49 0.00 -1.26 -1.33 105.19 109.02 1t35 n GLY 39 Ca -0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 1t35 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t35 n GLY 40 N -0.86 0.42 3.89 -0.02 0.00 -1.26 -4.24 105.19 103.12 1t35 n GLY 40 Ca 0.02 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 1t35 n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t35 s SER 41 N -2.97 6.32 -0.04 1.61 1.04 -1.26 -4.97 113.70 113.43 1t35 s SER 41 Ca 0.00 1.07 0.08 0.00 0.48 0.00 0.00 55.95 57.57 1t35 s SER 41 Cb 0.00 -2.31 0.18 0.00 0.10 0.00 0.00 66.02 63.99 1t35 s SER 41 CO 0.00 -0.59 1.13 -1.14 0.98 0.00 0.00 173.24 173.62 1t35 n ARG 42 N -2.12 2.67 -3.95 4.02 0.63 -1.26 -4.34 116.66 112.32 1t35 n ARG 42 Ca 0.02 -1.95 -0.32 0.00 -0.92 0.00 0.00 57.85 54.68 1t35 n ARG 42 Cb 0.55 -1.23 -0.05 0.00 0.45 0.00 0.00 32.46 32.18 1t35 n ARG 42 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1t35 s VAL 43 N -1.50 5.24 0.00 5.15 -7.23 -1.26 -4.27 120.40 116.54 1t35 s VAL 43 Ca 0.15 -0.38 0.00 0.00 -1.81 0.00 0.00 61.98 59.95 1t35 s VAL 43 Cb 0.11 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.54 1t35 s VAL 43 CO 0.05 0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 1t35 n GLY 44 N 0.56 -0.48 2.16 2.32 0.00 -1.06 -3.44 105.19 105.25 1t35 n GLY 44 Ca -0.08 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1t35 n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t35 n LEU 45 N 0.00 0.00 0.00 0.99 4.77 -1.08 -2.88 117.00 118.80 1t35 n LEU 45 Ca 0.00 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1t35 n LEU 45 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1t35 n LEU 45 CO 0.00 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 1t35 n GLY 47 N 1.75 0.00 0.37 -0.72 0.00 -1.22 -1.95 105.19 103.41 1t35 n GLY 47 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1t35 n GLY 47 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1t35 h THR 48 N 0.00 0.00 -0.95 2.61 2.02 -1.83 0.19 112.91 114.95 1t35 h THR 48 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 1t35 h THR 48 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.34 1t35 h THR 48 CO 0.00 0.00 0.61 -0.29 0.37 0.00 0.00 175.52 176.21 1t35 h ILE 49 N -0.80 0.94 0.50 3.11 2.10 -1.58 0.14 117.51 121.92 1t35 h ILE 49 Ca -0.06 -0.32 -0.02 0.00 1.08 0.00 0.00 64.86 65.53 1t35 h ILE 49 Cb 0.67 -0.08 0.00 0.00 -1.09 0.00 0.00 36.82 36.32 1t35 h ILE 49 CO 0.01 0.17 -0.24 0.00 -1.08 0.00 0.00 178.15 177.01 1t35 h ALA 50 N 1.54 -0.67 -0.82 0.18 0.00 -1.76 -1.62 119.26 116.11 1t35 h ALA 50 Ca 0.46 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.37 1t35 h ALA 50 Cb 0.45 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.39 1t35 h ALA 50 CO -0.22 -0.77 0.29 -0.44 0.00 0.00 0.00 179.25 178.11 1t35 h ASP 51 N -0.87 0.19 0.15 0.00 5.19 0.17 -0.85 116.42 120.41 1t35 h ASP 51 Ca -0.07 0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.49 1t35 h ASP 51 Cb 0.59 0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.24 1t35 h ASP 51 CO 0.11 -0.00 -0.16 0.00 -3.12 0.00 0.00 179.24 176.07 1t35 h ALA 52 N 1.65 -0.31 0.00 3.45 0.00 -0.79 0.02 119.26 123.28 1t35 h ALA 52 Ca 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1t35 h ALA 52 Cb 0.86 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1t35 h ALA 52 CO -0.51 -0.70 0.00 -0.89 0.00 0.00 0.00 179.25 177.15 1t35 n ILE 53 N -5.28 0.00 0.00 0.00 5.41 -0.32 -2.68 119.36 116.49 1t35 n ILE 53 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1t35 n ILE 53 Cb 0.20 -0.31 0.00 0.00 -0.71 0.00 0.00 39.64 38.82 1t35 n ILE 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1t35 n GLU 55 N -0.07 0.00 -1.78 0.38 1.02 -0.01 -2.05 120.64 118.13 1t35 n GLU 55 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1t35 n GLU 55 Cb 0.00 -0.23 0.07 0.00 -0.02 0.00 0.00 31.44 31.26 1t35 n GLU 55 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1t35 n ASN 56 N 0.00 2.51 0.00 1.62 3.02 -1.09 -4.98 115.26 116.34 1t35 n ASN 56 Ca 0.00 -3.00 0.00 0.00 -0.03 0.00 0.00 54.58 51.55 1t35 n ASN 56 Cb 0.00 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 1t35 n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t35 n GLY 57 N -0.54 0.10 3.40 7.41 0.00 -1.24 -4.77 105.19 109.54 1t35 n GLY 57 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 1t35 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t35 n GLY 58 N -0.54 -2.01 3.31 -0.02 0.00 -0.87 -5.07 105.19 99.99 1t35 n GLY 58 Ca 0.00 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 1t35 n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t35 s THR 59 N -3.31 2.04 -0.15 2.61 -4.23 -1.26 -4.95 115.64 106.39 1t35 s THR 59 Ca 0.67 -1.17 -0.04 0.00 -1.18 0.00 0.00 61.69 59.98 1t35 s THR 59 Cb -0.04 -1.71 0.07 0.00 1.34 0.00 0.00 72.50 72.16 1t35 s THR 59 CO 0.49 0.52 0.19 0.00 -0.54 0.00 0.00 174.62 175.27 1t35 s ALA 60 N -0.65 -0.16 -0.02 3.99 0.00 -1.26 -0.38 121.76 123.29 1t35 s ALA 60 Ca 0.10 0.33 -0.15 0.00 0.00 0.00 0.00 51.96 52.24 1t35 s ALA 60 Cb -0.10 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 1t35 s ALA 60 CO -0.00 -0.94 0.42 0.42 0.00 0.00 0.00 175.76 175.65 1t35 s ILE 61 N 2.30 5.05 -0.13 0.00 1.01 0.19 -1.52 121.20 128.09 1t35 s ILE 61 Ca 0.05 0.85 0.02 0.00 0.00 0.00 0.00 60.65 61.56 1t35 s ILE 61 Cb -0.14 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.62 1t35 s ILE 61 CO -0.09 0.54 -0.18 -0.83 0.00 0.00 0.00 174.94 174.38 1t35 s GLY 62 N -0.81 1.19 0.17 6.18 0.00 -0.98 -2.21 107.32 110.85 1t35 s GLY 62 Ca 0.24 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 44.02 1t35 s GLY 62 CO 0.13 0.21 0.36 0.14 0.00 0.00 0.00 173.10 173.94 1t35 s VAL 63 N 1.06 5.23 -0.01 1.40 1.01 -0.44 -2.51 120.40 126.14 1t35 s VAL 63 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1t35 s VAL 63 Cb -0.14 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1t35 s VAL 63 CO -0.05 -0.10 0.03 -2.84 0.00 0.00 0.00 175.10 172.15 1t35 s PRO 65 N -3.13 2.91 0.27 2.72 0.02 -1.26 -4.37 135.00 132.16 1t35 s PRO 65 Ca 0.38 -0.54 -0.22 0.00 0.02 0.00 0.00 61.00 60.63 1t35 s PRO 65 Cb -0.11 -2.75 -0.09 0.00 0.02 0.00 0.00 34.50 31.56 1t35 s PRO 65 CO 0.28 0.64 0.83 -1.54 -0.33 0.00 0.00 177.00 176.88 1t35 s SER 66 N -1.55 7.18 0.00 2.53 1.04 0.55 -4.27 113.70 119.18 1t35 s SER 66 Ca 0.20 1.61 0.00 0.00 0.48 0.00 0.00 55.95 58.24 1t35 s SER 66 Cb -0.12 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1t35 s SER 66 CO 0.11 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.91 1t35 n GLY 67 N 0.61 1.68 3.80 7.32 0.00 -1.26 -4.96 105.19 112.37 1t35 n GLY 67 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1t35 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t35 s LEU 68 N 0.00 4.30 0.75 0.99 1.43 -1.26 -5.08 118.68 119.81 1t35 s LEU 68 Ca 0.00 0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 53.36 1t35 s LEU 68 Cb 0.00 -2.15 0.05 0.00 0.03 0.00 0.00 46.19 44.12 1t35 s LEU 68 CO 0.00 0.27 1.20 -0.36 0.23 0.00 0.00 176.35 177.70 1t35 s PHE 69 N -0.29 2.02 0.53 0.29 0.40 -1.26 -4.86 117.98 114.81 1t35 s PHE 69 Ca 0.13 1.62 0.20 0.00 -0.60 0.00 0.00 56.93 58.28 1t35 s PHE 69 Cb -0.12 -3.46 1.35 0.00 0.51 0.00 0.00 43.02 41.30 1t35 s PHE 69 CO 0.02 -2.63 2.10 0.66 0.70 0.00 0.00 175.22 176.07 1t35 h SER 70 N -0.45 0.00 0.36 1.36 4.64 -2.01 -0.05 113.55 117.40 1t35 h SER 70 Ca -0.47 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 1t35 h SER 70 Cb 1.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1t35 h SER 70 CO 0.49 0.00 -0.12 1.23 -0.87 0.00 0.00 176.83 177.56 1t35 h GLY 71 N 0.00 0.00 -1.42 -0.77 0.00 -2.01 -1.97 103.07 96.90 1t35 h GLY 71 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1t35 h GLY 71 CO -0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 1t35 n GLU 72 N -3.67 1.90 0.00 4.80 1.02 -0.03 -4.35 120.64 120.30 1t35 n GLU 72 Ca -0.02 -1.38 0.00 0.00 -0.02 0.00 0.00 57.16 55.74 1t35 n GLU 72 Cb 0.24 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1t35 n GLU 72 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1t35 n VAL 73 N 0.62 0.00 0.29 2.62 0.31 -0.78 -4.82 118.33 116.56 1t35 n VAL 73 Ca 0.13 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.63 1t35 n VAL 73 Cb 0.33 -0.33 0.79 0.00 -0.91 0.00 0.00 33.84 33.71 1t35 n VAL 73 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1t35 h VAL 74 N 0.00 0.09 -0.42 2.52 2.07 -1.64 -2.61 116.25 116.26 1t35 h VAL 74 Ca 0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1t35 h VAL 74 Cb 0.59 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1t35 h VAL 74 CO 0.00 0.03 0.00 1.41 0.02 0.00 0.00 177.57 179.03 1t35 n HIS 75 N -3.15 1.24 -0.07 1.57 8.25 -1.26 -4.23 115.22 117.57 1t35 n HIS 75 Ca -0.00 -0.45 -0.16 0.00 -0.26 0.00 0.00 57.72 56.85 1t35 n HIS 75 Cb 0.26 -0.29 -0.14 0.00 1.12 0.00 0.00 29.99 30.94 1t35 n HIS 75 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1t35 n GLN 76 N 0.56 0.69 -2.71 -0.41 1.13 -0.98 -5.02 117.38 110.63 1t35 n GLN 76 Ca 0.18 0.17 -0.01 0.00 -1.94 0.00 0.00 57.00 55.40 1t35 n GLN 76 Cb 0.78 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 29.51 1t35 n GLN 76 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1t35 n ASN 77 N -3.17 -7.91 -4.34 1.08 5.15 -1.26 -5.01 115.26 99.79 1t35 n ASN 77 Ca -0.34 1.28 -0.18 0.00 -0.60 0.00 0.00 54.58 54.74 1t35 n ASN 77 Cb 1.05 -5.27 -0.10 0.00 -0.53 0.00 0.00 39.78 34.93 1t35 n ASN 77 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1t35 s LEU 78 N -1.75 2.41 0.28 1.20 1.43 -1.26 -5.01 118.68 115.97 1t35 s LEU 78 Ca 0.04 -1.13 0.21 0.00 -1.03 0.00 0.00 54.13 52.21 1t35 s LEU 78 Cb -0.01 -0.46 0.11 0.00 0.03 0.00 0.00 46.19 45.86 1t35 s LEU 78 CO 0.77 -0.37 1.28 0.74 0.23 0.00 0.00 176.35 179.00 1t35 h THR 79 N 2.51 0.21 -1.77 5.49 2.02 -1.65 -3.47 112.91 116.24 1t35 h THR 79 Ca -0.38 -1.33 0.01 0.00 0.77 0.00 0.00 66.41 65.48 1t35 h THR 79 Cb 1.22 1.90 -0.22 0.00 -1.74 0.00 0.00 68.15 69.31 1t35 h THR 79 CO 0.64 0.12 0.36 -0.70 0.37 0.00 0.00 175.52 176.32 1t35 s GLU 80 N -3.18 0.77 0.00 6.66 2.12 -1.25 -4.99 118.70 118.83 1t35 s GLU 80 Ca 0.02 0.34 0.08 0.00 0.36 0.00 0.00 54.97 55.78 1t35 s GLU 80 Cb 0.08 0.37 -0.02 0.00 0.26 0.00 0.00 34.13 34.81 1t35 s GLU 80 CO 0.74 -0.21 -0.25 -1.17 -0.54 0.00 0.00 175.26 173.84 1t35 s LEU 81 N -0.79 2.09 -0.22 2.70 2.96 -1.26 -2.33 118.68 121.83 1t35 s LEU 81 Ca -0.04 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1t35 s LEU 81 Cb -0.01 -1.25 0.07 0.00 0.50 0.00 0.00 46.19 45.50 1t35 s LEU 81 CO 0.03 0.28 0.07 -0.63 -1.32 0.00 0.00 176.35 174.78 1t35 s ILE 82 N -0.66 0.39 0.44 6.68 1.01 -1.04 -4.99 121.20 123.03 1t35 s ILE 82 Ca 0.10 -0.64 -0.21 0.00 0.00 0.00 0.00 60.65 59.91 1t35 s ILE 82 Cb -0.10 -1.04 -0.10 0.00 0.01 0.00 0.00 42.46 41.23 1t35 s ILE 82 CO 0.00 -0.36 0.96 -1.61 0.00 0.00 0.00 174.94 173.94 1t35 s GLU 83 N 1.90 4.16 0.18 2.79 2.02 -1.26 -4.44 118.70 124.05 1t35 s GLU 83 Ca 0.02 1.13 -0.11 0.00 0.02 0.00 0.00 54.97 56.03 1t35 s GLU 83 Cb -0.17 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 31.90 1t35 s GLU 83 CO -0.14 -0.09 0.36 0.14 0.02 0.00 0.00 175.26 175.54 1t35 s VAL 84 N -2.20 0.05 -0.33 2.63 -7.23 -1.26 -4.92 120.40 107.13 1t35 s VAL 84 Ca 0.62 -1.22 -0.03 0.00 -1.81 0.00 0.00 61.98 59.54 1t35 s VAL 84 Cb -0.10 -1.79 0.06 0.00 0.56 0.00 0.00 36.38 35.12 1t35 s VAL 84 CO 0.15 -0.24 0.07 0.20 -0.31 0.00 0.00 175.10 174.98 1t35 s ASN 85 N -2.94 5.08 0.02 4.85 0.01 -1.26 -0.33 114.94 120.37 1t35 s ASN 85 Ca 0.15 -1.41 0.00 0.00 -0.71 0.00 0.00 52.86 50.89 1t35 s ASN 85 Cb 0.02 -1.78 0.00 0.00 0.41 0.00 0.00 41.25 39.90 1t35 s ASN 85 CO -0.00 -0.34 0.00 0.61 -1.51 0.00 0.00 177.10 175.86 1t35 n GLY 86 N 4.66 1.00 3.33 0.66 0.00 -1.26 -4.47 105.19 109.11 1t35 n GLY 86 Ca -0.11 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1t35 n GLY 86 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1t35 n HIS 88 N 1.36 0.00 -0.24 1.61 -0.00 -1.26 -2.20 115.22 114.49 1t35 n HIS 88 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.73 1t35 n HIS 88 Cb 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 29.99 30.13 1t35 n HIS 88 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1t35 h GLU 89 N 0.00 0.57 -0.12 1.57 5.08 -1.99 -0.06 114.58 119.63 1t35 h GLU 89 Ca 0.00 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1t35 h GLU 89 Cb 0.00 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 1t35 h GLU 89 CO 0.00 0.38 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.15 1t35 h ARG 90 N 0.59 -0.18 -0.45 2.33 2.43 -1.74 0.47 114.38 117.83 1t35 h ARG 90 Ca 0.35 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.46 1t35 h ARG 90 Cb 0.37 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1t35 h ARG 90 CO -0.27 -0.12 -0.02 0.87 -1.51 0.00 0.00 179.97 178.93 1t35 h LYS 91 N -0.18 0.74 -0.38 0.20 1.57 -1.68 -3.05 116.57 113.79 1t35 h LYS 91 Ca 0.09 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1t35 h LYS 91 Cb 0.31 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1t35 h LYS 91 CO -0.23 0.77 -0.00 0.00 -0.57 0.00 0.00 179.45 179.42 1t35 h ALA 92 N 1.29 0.51 0.00 3.86 0.00 -0.51 -1.97 119.26 122.44 1t35 h ALA 92 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1t35 h ALA 92 Cb 0.45 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1t35 h ALA 92 CO 0.02 0.29 0.00 1.17 0.00 0.00 0.00 179.25 180.73 1t35 n LYS 93 N -4.46 0.13 0.00 0.00 3.00 0.11 -0.64 118.16 116.30 1t35 n LYS 93 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1t35 n LYS 93 Cb 0.29 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 34.11 1t35 n LYS 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1t35 n SER 95 N 0.63 0.00 -0.14 3.14 2.88 -0.74 -1.50 113.62 117.88 1t35 n SER 95 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1t35 n SER 95 Cb 0.04 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.50 1t35 n SER 95 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1t35 h GLU 96 N 0.00 0.63 -0.00 -1.46 4.81 -1.14 -2.86 114.58 114.56 1t35 h GLU 96 Ca 0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1t35 h GLU 96 Cb 0.00 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1t35 h GLU 96 CO 0.00 0.63 0.00 1.28 -0.73 0.00 0.00 179.01 180.19 1t35 n LEU 97 N -4.59 0.03 -4.79 1.64 4.77 -0.57 -4.86 117.00 108.62 1t35 n LEU 97 Ca -0.00 -0.01 -0.36 0.00 -0.03 0.00 0.00 56.01 55.61 1t35 n LEU 97 Cb 0.18 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1t35 n LEU 97 CO 0.38 0.00 -0.23 0.00 -1.33 0.00 0.00 177.39 176.21 1t35 s ALA 98 N -2.00 3.62 -0.66 -1.18 0.00 -1.08 -4.79 121.76 115.66 1t35 s ALA 98 Ca 0.37 -0.73 0.21 0.00 0.00 0.00 0.00 51.96 51.82 1t35 s ALA 98 Cb 0.17 -1.74 -0.26 0.00 0.00 0.00 0.00 23.12 21.30 1t35 s ALA 98 CO 0.29 0.62 0.77 -0.25 0.00 0.00 0.00 175.76 177.18 1t35 n ASP 99 N 1.96 0.65 -3.66 0.00 8.00 0.09 -4.99 116.55 118.60 1t35 n ASP 99 Ca -0.19 -0.64 -0.04 0.00 0.71 0.00 0.00 54.79 54.63 1t35 n ASP 99 Cb 0.54 1.33 -0.01 0.00 -0.02 0.00 0.00 41.12 42.95 1t35 n ASP 99 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1t35 s GLY 100 N -3.53 -0.32 -0.03 0.44 0.00 -1.16 -4.23 107.32 98.49 1t35 s GLY 100 Ca 0.03 0.49 0.06 0.00 0.00 0.00 0.00 44.72 45.29 1t35 s GLY 100 CO 0.88 0.13 -0.20 -1.36 0.00 0.00 0.00 173.10 172.55 1t35 s PHE 101 N -3.12 1.82 -0.02 1.90 0.08 0.27 -0.94 117.98 117.97 1t35 s PHE 101 Ca 0.10 -0.42 0.04 0.00 0.12 0.00 0.00 56.93 56.77 1t35 s PHE 101 Cb -0.01 -1.19 -0.01 0.00 -0.57 0.00 0.00 43.02 41.24 1t35 s PHE 101 CO -0.02 -0.09 -0.15 0.42 -0.10 0.00 0.00 175.22 175.28 1t35 s ILE 102 N -0.28 1.19 0.48 0.64 1.01 -0.16 0.11 121.20 124.18 1t35 s ILE 102 Ca 0.03 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.09 1t35 s ILE 102 Cb -0.09 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 1t35 s ILE 102 CO 0.01 0.34 0.02 -0.55 0.00 0.00 0.00 174.94 174.76 1t35 s SER 103 N -0.18 4.07 0.42 3.58 0.15 0.24 -2.72 113.70 119.26 1t35 s SER 103 Ca 0.02 -1.54 -0.20 0.00 0.70 0.00 0.00 55.95 54.94 1t35 s SER 103 Cb -0.08 0.20 -0.10 0.00 -1.71 0.00 0.00 66.02 64.33 1t35 s SER 103 CO 0.00 -0.72 0.92 -2.84 1.20 0.00 0.00 173.24 171.80 1t35 s PRO 105 N -3.83 4.17 -0.06 5.44 0.02 -1.26 -0.32 135.00 139.16 1t35 s PRO 105 Ca 0.17 1.04 -0.20 0.00 0.02 0.00 0.00 61.00 62.03 1t35 s PRO 105 Cb 0.04 -2.21 0.06 0.00 0.02 0.00 0.00 34.50 32.41 1t35 s PRO 105 CO 0.09 -0.02 0.87 0.41 -0.33 0.00 0.00 177.00 178.01 1t35 n GLY 106 N -0.68 0.20 0.00 0.52 0.00 -1.26 -1.27 105.19 102.69 1t35 n GLY 106 Ca 0.06 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1t35 n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t35 n GLY 107 N -0.63 1.52 0.36 -0.02 0.00 -1.26 -4.77 105.19 100.39 1t35 n GLY 107 Ca 0.04 -1.93 0.15 0.00 0.00 0.00 0.00 46.02 44.28 1t35 n GLY 107 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1t35 h PHE 108 N 0.00 0.97 -0.02 1.61 0.04 -2.02 0.14 116.94 117.66 1t35 h PHE 108 Ca 0.00 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.81 1t35 h PHE 108 Cb 0.00 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 1t35 h PHE 108 CO 0.00 0.21 -0.02 0.78 -0.60 0.00 0.00 178.31 178.68 1t35 h GLY 109 N 0.69 0.00 1.04 -1.45 0.00 -1.98 -0.71 103.07 100.65 1t35 h GLY 109 Ca 0.57 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.90 1t35 h GLY 109 CO -0.35 -0.02 0.48 -0.84 0.00 0.00 0.00 176.54 175.81 1t35 h THR 110 N -0.02 1.26 -0.09 4.70 2.02 -1.35 -1.79 112.91 117.63 1t35 h THR 110 Ca 0.01 -0.66 -0.07 0.00 0.77 0.00 0.00 66.41 66.47 1t35 h THR 110 Cb 0.04 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1t35 h THR 110 CO -0.03 0.30 -0.26 1.88 0.37 0.00 0.00 175.52 177.78 1t35 h TYR 111 N 1.26 0.17 0.13 3.16 0.05 -0.71 -0.80 116.97 120.24 1t35 h TYR 111 Ca 0.32 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.06 1t35 h TYR 111 Cb 0.04 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1t35 h TYR 111 CO 0.01 0.41 -0.06 1.49 -1.05 0.00 0.00 178.16 178.96 1t35 h GLU 112 N 0.15 -0.17 -1.00 4.88 4.22 -0.49 -1.37 114.58 120.79 1t35 h GLU 112 Ca 0.02 0.01 0.16 0.00 0.08 0.00 0.00 59.36 59.63 1t35 h GLU 112 Cb 0.54 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.73 1t35 h GLU 112 CO 0.04 0.29 0.62 0.93 -2.18 0.00 0.00 179.01 178.71 1t35 h GLU 113 N -0.79 0.83 -0.03 1.92 4.39 -1.28 -0.96 114.58 118.67 1t35 h GLU 113 Ca -0.02 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1t35 h GLU 113 Cb 0.54 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1t35 h GLU 113 CO 0.03 0.55 0.01 1.25 -1.16 0.00 0.00 179.01 179.69 1t35 h LEU 114 N 0.86 0.03 -1.50 1.33 5.85 -1.01 -2.45 115.31 118.42 1t35 h LEU 114 Ca 0.54 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.14 1t35 h LEU 114 Cb 0.72 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1t35 h LEU 114 CO -0.32 0.14 0.00 -0.26 -0.34 0.00 0.00 178.44 177.66 1t35 h PHE 115 N -0.07 0.00 0.07 1.25 -1.00 -0.51 -2.27 116.94 114.42 1t35 h PHE 115 Ca 0.01 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.51 1t35 h PHE 115 Cb 0.11 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.70 1t35 h PHE 115 CO -0.04 0.00 -1.16 1.49 -1.61 0.00 0.00 178.31 176.99 1t35 h GLU 116 N 0.00 0.61 0.10 1.51 4.81 -0.97 -2.54 114.58 118.10 1t35 h GLU 116 Ca 0.00 -0.75 -0.01 0.00 -0.13 0.00 0.00 59.36 58.47 1t35 h GLU 116 Cb 0.47 0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1t35 h GLU 116 CO 0.00 1.33 -0.05 0.28 -0.73 0.00 0.00 179.01 179.84 1t35 h VAL 117 N 0.30 0.92 -0.53 0.32 2.07 -1.16 -2.08 116.25 116.08 1t35 h VAL 117 Ca -0.16 -0.07 0.13 0.00 0.82 0.00 0.00 66.70 67.43 1t35 h VAL 117 Cb 1.82 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 1t35 h VAL 117 CO 0.22 0.02 0.37 -0.07 0.02 0.00 0.00 177.57 178.13 1t35 h LEU 118 N -0.17 0.13 -1.19 2.57 3.38 -1.44 0.11 115.31 118.70 1t35 h LEU 118 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1t35 h LEU 118 Cb 0.13 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1t35 h LEU 118 CO 0.02 0.07 -0.00 0.00 0.09 0.00 0.00 178.44 178.62 1t35 n TRP 120 N -3.09 0.00 -0.12 0.00 7.02 0.23 -4.71 117.44 116.76 1t35 n TRP 120 Ca 0.01 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.39 1t35 n TRP 120 Cb 0.35 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.16 1t35 n TRP 120 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1t35 h ALA 121 N 2.31 -0.65 -0.22 6.99 0.00 -1.02 -2.33 119.26 124.35 1t35 h ALA 121 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1t35 h ALA 121 Cb 0.42 1.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 1t35 h ALA 121 CO 0.00 -0.86 0.18 1.04 0.00 0.00 0.00 179.25 179.61 1t35 n GLN 122 N -4.74 1.35 -5.08 0.00 6.02 -1.26 -4.73 117.38 108.94 1t35 n GLN 122 Ca -0.02 -0.70 -0.32 0.00 -0.01 0.00 0.00 57.00 55.94 1t35 n GLN 122 Cb 0.26 -1.27 -0.16 0.00 1.02 0.00 0.00 30.24 30.08 1t35 n GLN 122 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1t35 s ILE 123 N -1.00 2.34 0.00 5.09 1.09 -0.88 -5.03 121.20 122.82 1t35 s ILE 123 Ca 0.14 -0.92 0.00 0.00 -1.10 0.00 0.00 60.65 58.77 1t35 s ILE 123 Cb 0.11 -1.92 0.00 0.00 -1.06 0.00 0.00 42.46 39.59 1t35 s ILE 123 CO 0.00 0.55 0.00 0.61 -0.10 0.00 0.00 174.94 176.00 1t35 n GLY 124 N 3.53 -1.74 0.00 6.18 0.00 -1.26 -4.79 105.19 107.12 1t35 n GLY 124 Ca -0.19 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.81 1t35 n GLY 124 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1t35 n ILE 125 N 0.00 0.00 -2.57 -0.61 3.06 -1.26 -4.84 119.36 113.14 1t35 n ILE 125 Ca 0.00 -0.01 -0.43 0.00 -2.50 0.00 0.00 62.75 59.81 1t35 n ILE 125 Cb 0.00 -0.01 0.00 0.00 0.54 0.00 0.00 39.64 40.17 1t35 n ILE 125 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1t35 n HIS 126 N -1.68 3.84 -1.74 9.51 1.44 -1.26 -5.01 115.22 120.33 1t35 n HIS 126 Ca -0.00 -3.03 -0.40 0.00 -2.01 0.00 0.00 57.72 52.28 1t35 n HIS 126 Cb 0.17 -2.09 0.02 0.00 0.12 0.00 0.00 29.99 28.22 1t35 n HIS 126 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 1t35 n GLN 127 N 4.81 2.00 -4.68 -1.40 -0.06 -1.26 -5.03 117.38 111.76 1t35 n GLN 127 Ca 0.39 0.72 -0.25 0.00 -2.00 0.00 0.00 57.00 55.87 1t35 n GLN 127 Cb 0.39 -2.54 -0.16 0.00 -4.06 0.00 0.00 30.24 23.87 1t35 n GLN 127 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1t35 s LYS 128 N -2.50 1.61 0.51 3.69 1.02 -1.26 -5.06 119.74 117.75 1t35 s LYS 128 Ca 0.64 -0.50 -0.21 0.00 0.02 0.00 0.00 55.97 55.92 1t35 s LYS 128 Cb -0.45 -1.39 -0.06 0.00 -0.52 0.00 0.00 37.83 35.41 1t35 s LYS 128 CO 0.55 0.16 1.21 -1.25 -0.92 0.00 0.00 175.35 175.11 1t35 s PRO 129 N 0.24 3.42 -0.18 -1.68 0.04 -1.26 -4.83 135.00 130.75 1t35 s PRO 129 Ca -0.07 1.87 0.01 0.00 0.04 0.00 0.00 61.00 62.85 1t35 s PRO 129 Cb -0.12 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.20 1t35 s PRO 129 CO 0.02 -0.86 -0.19 0.42 0.04 0.00 0.00 177.00 176.44 1t35 s ILE 130 N -1.52 2.19 -0.12 0.56 1.01 -0.05 -0.57 121.20 122.70 1t35 s ILE 130 Ca 0.69 -0.90 -0.00 0.00 0.00 0.00 0.00 60.65 60.43 1t35 s ILE 130 Cb -0.31 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1t35 s ILE 130 CO 0.36 0.53 -0.10 -0.83 0.00 0.00 0.00 174.94 174.90 1t35 s GLY 131 N 1.21 1.60 -0.41 6.18 0.00 0.31 -0.38 107.32 115.82 1t35 s GLY 131 Ca 0.03 -0.88 -0.13 0.00 0.00 0.00 0.00 44.72 43.73 1t35 s GLY 131 CO -0.10 -0.30 0.29 1.08 0.00 0.00 0.00 173.10 174.07 1t35 s LEU 132 N 0.05 5.10 -1.19 0.66 1.43 0.17 0.83 118.68 125.73 1t35 s LEU 132 Ca -0.03 -1.06 -0.21 0.00 -1.03 0.00 0.00 54.13 51.80 1t35 s LEU 132 Cb -0.14 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 1t35 s LEU 132 CO 0.04 -0.48 1.89 0.00 0.23 0.00 0.00 176.35 178.03 1t35 n TYR 133 N 5.10 3.28 -0.11 0.29 9.36 0.56 -2.28 117.16 133.36 1t35 n TYR 133 Ca -0.11 -2.02 -0.01 0.00 3.32 0.00 0.00 57.90 59.07 1t35 n TYR 133 Cb 0.46 -2.52 -0.02 0.00 -0.63 0.00 0.00 39.34 36.63 1t35 n TYR 133 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1t35 n ASN 134 N 11.26 0.61 -4.69 2.98 5.15 -0.95 -4.33 115.26 125.29 1t35 n ASN 134 Ca 0.47 -1.60 -0.42 0.00 -0.60 0.00 0.00 54.58 52.43 1t35 n ASN 134 Cb 0.45 -0.16 -0.03 0.00 -0.53 0.00 0.00 39.78 39.51 1t35 n ASN 134 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1t35 s VAL 135 N 2.73 2.67 -2.11 3.44 1.01 -1.26 -1.21 120.40 125.67 1t35 s VAL 135 Ca 0.08 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1t35 s VAL 135 Cb 0.04 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1t35 s VAL 135 CO 0.00 -0.00 0.00 0.59 0.00 0.00 0.00 175.10 175.69 1t35 n ASN 136 N 5.65 -5.46 -1.84 3.32 4.13 -1.26 -1.71 115.26 118.09 1t35 n ASN 136 Ca 0.17 0.46 -0.17 0.00 1.68 0.00 0.00 54.58 56.73 1t35 n ASN 136 Cb 0.39 -4.71 -0.01 0.00 -1.54 0.00 0.00 39.78 33.90 1t35 n ASN 136 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1t35 n GLY 137 N -0.53 -0.13 0.23 7.41 0.00 -0.35 -4.92 105.19 106.90 1t35 n GLY 137 Ca -0.20 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.63 1t35 n GLY 137 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1t35 h TYR 138 N 0.00 0.12 0.00 1.61 3.20 -1.49 -2.15 116.97 118.26 1t35 h TYR 138 Ca -0.39 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.52 1t35 h TYR 138 Cb 1.27 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.58 1t35 h TYR 138 CO 0.45 -0.08 0.00 1.19 -1.64 0.00 0.00 178.16 178.08 1t35 n PHE 139 N -5.18 0.00 0.02 -3.82 3.72 -1.26 -4.03 117.46 106.91 1t35 n PHE 139 Ca 0.09 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.38 1t35 n PHE 139 Cb 0.34 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.82 1t35 n PHE 139 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1t35 h GLU 140 N 0.00 0.01 -5.06 -1.08 4.39 -1.78 -3.42 114.58 107.63 1t35 h GLU 140 Ca 0.00 -0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1t35 h GLU 140 Cb 0.00 -0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1t35 h GLU 140 CO 0.00 0.01 0.26 -2.30 -1.16 0.00 0.00 179.01 175.82 1t35 n PRO 141 N -5.11 0.07 -0.77 2.33 -0.02 -1.26 -5.01 135.00 125.24 1t35 n PRO 141 Ca -0.06 -1.48 0.00 0.00 -2.02 0.00 0.00 63.50 59.94 1t35 n PRO 141 Cb 0.05 -3.53 0.00 0.00 -0.02 0.00 0.00 33.50 30.00 1t35 n PRO 141 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1t35 n LYS 144 N 7.83 0.00 0.00 -0.52 3.00 -1.26 -5.06 118.16 122.14 1t35 n LYS 144 Ca 0.39 0.34 0.00 0.00 -0.00 0.00 0.00 58.31 59.04 1t35 n LYS 144 Cb 0.46 -2.88 0.00 0.00 0.00 0.00 0.00 35.03 32.61 1t35 n LYS 144 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1t35 n VAL 146 N -2.75 0.00 0.24 3.15 0.31 -1.26 -2.03 118.33 115.99 1t35 n VAL 146 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 1t35 n VAL 146 Cb 0.02 0.00 0.65 0.00 -0.91 0.00 0.00 33.84 33.60 1t35 n VAL 146 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1t35 h LYS 147 N 0.00 0.00 -0.29 5.55 1.57 -1.99 -0.93 116.57 120.47 1t35 h LYS 147 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1t35 h LYS 147 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1t35 h LYS 147 CO 0.00 0.00 -0.30 1.88 -0.57 0.00 0.00 179.45 180.46 1t35 h TYR 148 N 0.00 0.69 -0.78 -1.35 0.05 -1.84 -0.41 116.97 113.33 1t35 h TYR 148 Ca 0.02 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.62 1t35 h TYR 148 Cb 0.08 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 37.62 1t35 h TYR 148 CO 0.00 0.83 0.43 0.77 -1.05 0.00 0.00 178.16 179.14 1t35 h SER 149 N 0.52 0.96 0.03 3.88 0.02 -1.46 0.14 113.55 117.64 1t35 h SER 149 Ca 0.06 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1t35 h SER 149 Cb 0.77 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1t35 h SER 149 CO 0.06 0.77 -0.01 0.40 -1.14 0.00 0.00 176.83 176.91 1t35 h ILE 150 N 1.09 1.18 -0.91 3.27 2.04 -1.23 0.27 117.51 123.21 1t35 h ILE 150 Ca 0.28 -0.66 0.13 0.00 1.00 0.00 0.00 64.86 65.60 1t35 h ILE 150 Cb 0.02 1.62 -0.09 0.00 -0.74 0.00 0.00 36.82 37.63 1t35 h ILE 150 CO -0.05 0.17 0.53 -0.61 0.00 0.00 0.00 178.15 178.20 1t35 h GLN 151 N -0.33 0.79 -0.04 2.37 4.15 -0.54 0.80 115.11 122.31 1t35 h GLN 151 Ca -0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1t35 h GLN 151 Cb 0.31 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1t35 h GLN 151 CO 0.01 0.52 0.00 0.39 -1.93 0.00 0.00 178.83 177.82 1t35 n GLU 152 N -4.74 1.37 -1.49 1.69 -0.58 0.43 -4.92 120.64 112.39 1t35 n GLU 152 Ca 0.17 -0.54 -0.05 0.00 -0.42 0.00 0.00 57.16 56.33 1t35 n GLU 152 Cb 0.38 -1.43 -0.01 0.00 -0.57 0.00 0.00 31.44 29.81 1t35 n GLU 152 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1t35 n GLY 153 N 1.04 0.54 0.07 0.62 0.00 0.27 -4.93 105.19 102.81 1t35 n GLY 153 Ca 0.19 -0.79 0.01 0.00 0.00 0.00 0.00 46.02 45.43 1t35 n GLY 153 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1t35 n PHE 154 N -3.28 0.44 -4.82 1.61 3.72 0.86 -4.94 117.46 111.05 1t35 n PHE 154 Ca -0.05 0.15 -0.25 0.00 -0.05 0.00 0.00 57.45 57.25 1t35 n PHE 154 Cb 0.30 -0.89 -0.15 0.00 -0.94 0.00 0.00 39.48 37.79 1t35 n PHE 154 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1t35 s SER 155 N -5.32 2.03 0.17 4.37 0.01 -1.05 -4.98 113.70 108.92 1t35 s SER 155 Ca -0.06 -0.32 -0.30 0.00 1.31 0.00 0.00 55.95 56.58 1t35 s SER 155 Cb 0.09 -0.27 -0.07 0.00 0.21 0.00 0.00 66.02 65.98 1t35 s SER 155 CO 0.84 0.20 1.13 0.21 0.41 0.00 0.00 173.24 176.04 1t35 s ASN 156 N -0.34 7.20 0.55 2.44 3.84 -1.26 -4.08 114.94 123.30 1t35 s ASN 156 Ca 0.05 2.11 0.34 0.00 0.21 0.00 0.00 52.86 55.57 1t35 s ASN 156 Cb -0.07 -2.60 1.40 0.00 -0.55 0.00 0.00 41.25 39.42 1t35 s ASN 156 CO -0.00 -0.28 2.00 -0.08 -2.79 0.00 0.00 177.10 175.94 1t35 h GLU 157 N 5.33 0.00 0.00 0.43 4.81 -1.99 -2.34 114.58 120.82 1t35 h GLU 157 Ca -0.44 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1t35 h GLU 157 Cb 1.21 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1t35 h GLU 157 CO 0.74 0.01 -0.02 0.66 -0.73 0.00 0.00 179.01 179.67 1t35 h SER 158 N 0.00 0.00 0.00 1.04 4.64 -2.04 -0.59 113.55 116.59 1t35 h SER 158 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1t35 h SER 158 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1t35 h SER 158 CO 0.00 0.02 0.00 1.41 -0.87 0.00 0.00 176.83 177.39 1t35 n HIS 159 N -3.80 0.00 -0.03 4.77 8.25 -0.88 -2.77 115.22 120.76 1t35 n HIS 159 Ca -0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.41 1t35 n HIS 159 Cb 0.11 -0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.11 1t35 n HIS 159 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1t35 n LEU 160 N 0.01 0.00 0.10 2.41 4.77 -0.23 -4.61 117.00 119.45 1t35 n LEU 160 Ca 0.00 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.17 1t35 n LEU 160 Cb 0.12 0.15 0.76 0.00 -2.33 0.00 0.00 43.42 42.13 1t35 n LEU 160 CO 0.00 0.15 1.17 0.50 -1.33 0.00 0.00 177.39 177.88 1t35 h LYS 161 N 0.00 0.00 -0.01 3.23 3.64 -1.67 0.17 116.57 121.94 1t35 h LYS 161 Ca -0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1t35 h LYS 161 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1t35 h LYS 161 CO 0.01 0.00 -0.25 1.28 -2.27 0.00 0.00 179.45 178.21 1t35 n LEU 162 N -3.87 0.87 -4.85 5.20 4.77 -1.26 -4.91 117.00 112.95 1t35 n LEU 162 Ca 0.06 -0.18 -0.36 0.00 -0.03 0.00 0.00 56.01 55.50 1t35 n LEU 162 Cb 0.54 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1t35 n LEU 162 CO 0.29 0.17 0.15 -0.63 -1.33 0.00 0.00 177.39 176.04 1t35 s ILE 163 N -2.55 4.98 0.02 -0.08 1.01 0.05 -0.88 121.20 123.74 1t35 s ILE 163 Ca 0.24 0.70 -0.02 0.00 0.00 0.00 0.00 60.65 61.56 1t35 s ILE 163 Cb 0.19 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 1t35 s ILE 163 CO 0.53 0.34 0.02 -1.00 0.00 0.00 0.00 174.94 174.83 1t35 s HIS 164 N -1.35 0.22 -0.10 3.97 3.76 0.48 -4.94 115.29 117.33 1t35 s HIS 164 Ca 0.33 -0.47 -0.08 0.00 -0.15 0.00 0.00 55.06 54.68 1t35 s HIS 164 Cb -0.15 -0.17 0.03 0.00 1.11 0.00 0.00 32.58 33.40 1t35 s HIS 164 CO 0.18 -0.24 0.26 -1.54 -0.85 0.00 0.00 174.74 172.54 1t35 s SER 165 N -1.61 -0.27 -0.15 1.40 1.04 -1.26 0.44 113.70 113.29 1t35 s SER 165 Ca -0.13 0.52 -0.30 0.00 0.48 0.00 0.00 55.95 56.52 1t35 s SER 165 Cb -0.07 0.51 0.13 0.00 0.10 0.00 0.00 66.02 66.69 1t35 s SER 165 CO -0.01 -0.10 1.03 -0.55 0.98 0.00 0.00 173.24 174.58 1t35 s SER 166 N 0.27 -0.33 0.01 7.02 0.15 -0.97 -4.94 113.70 114.92 1t35 s SER 166 Ca -0.01 0.30 0.23 0.00 0.70 0.00 0.00 55.95 57.17 1t35 s SER 166 Cb -0.03 0.28 0.10 0.00 -1.71 0.00 0.00 66.02 64.67 1t35 s SER 166 CO -0.01 -0.35 1.12 -1.54 1.20 0.00 0.00 173.24 173.67 1t35 n SER 167 N 0.54 0.74 -4.64 5.45 3.41 -1.26 -2.25 113.62 115.61 1t35 n SER 167 Ca -0.09 -0.59 -0.38 0.00 -0.26 0.00 0.00 58.87 57.56 1t35 n SER 167 Cb 0.58 0.68 -0.09 0.00 -0.26 0.00 0.00 64.21 65.12 1t35 n SER 167 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1t35 s ARG 168 N -3.03 4.06 0.13 4.33 0.52 -1.26 -4.87 118.95 118.83 1t35 s ARG 168 Ca 0.09 -0.06 -0.26 0.00 -0.52 0.00 0.00 55.73 54.97 1t35 s ARG 168 Cb 0.16 -3.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 1t35 s ARG 168 CO 0.79 -0.10 1.62 -1.35 0.02 0.00 0.00 175.30 176.28 1t35 h PRO 169 N 7.81 -0.39 -0.13 3.54 0.11 -1.95 -1.85 132.00 139.15 1t35 h PRO 169 Ca -0.35 0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.82 1t35 h PRO 169 Cb 1.17 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1t35 h PRO 169 CO 0.65 -0.26 0.10 0.38 -0.21 0.00 0.00 178.00 178.66 1t35 h ASP 170 N -0.40 0.00 0.17 -2.05 2.03 -1.98 -2.10 116.42 112.10 1t35 h ASP 170 Ca 0.08 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.07 1t35 h ASP 170 Cb 0.52 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.05 1t35 h ASP 170 CO -0.29 0.00 -1.30 -0.08 -1.03 0.00 0.00 179.24 176.55 1t35 h GLU 171 N 0.00 0.57 0.38 4.15 4.81 -1.86 -2.83 114.58 119.81 1t35 h GLU 171 Ca 0.06 -0.85 -0.02 0.00 -0.13 0.00 0.00 59.36 58.42 1t35 h GLU 171 Cb 0.26 0.30 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1t35 h GLU 171 CO -0.00 1.39 -0.18 1.25 -0.73 0.00 0.00 179.01 180.74 1t35 h LEU 172 N 0.17 -0.43 -1.84 1.64 6.46 -0.92 -2.24 115.31 118.15 1t35 h LEU 172 Ca -0.21 -0.12 0.06 0.00 -0.12 0.00 0.00 57.88 57.49 1t35 h LEU 172 Cb 1.99 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 42.01 1t35 h LEU 172 CO 0.25 -0.11 0.23 0.40 -0.62 0.00 0.00 178.44 178.58 1t35 h ILE 173 N -0.77 0.94 0.67 4.05 2.04 -1.54 -2.21 117.51 120.69 1t35 h ILE 173 Ca -0.05 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1t35 h ILE 173 Cb 0.52 0.72 0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1t35 h ILE 173 CO 0.09 0.04 -0.32 -0.08 0.00 0.00 0.00 178.15 177.87 1t35 h GLU 174 N 0.20 -0.87 -1.95 2.37 4.22 -1.28 -1.88 114.58 115.39 1t35 h GLU 174 Ca 0.15 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.65 1t35 h GLU 174 Cb 0.34 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1t35 h GLU 174 CO -0.03 -0.55 0.00 1.04 -2.18 0.00 0.00 179.01 177.30 1t35 n GLN 175 N -5.43 0.00 -1.66 1.92 6.02 -0.83 -4.84 117.38 112.55 1t35 n GLN 175 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 1t35 n GLN 175 Cb 0.38 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.26 1t35 n GLN 175 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1t35 n GLN 177 N 1.50 -2.69 -3.71 -1.09 1.13 -0.71 -4.99 117.38 106.82 1t35 n GLN 177 Ca 0.00 1.95 -0.13 0.00 -1.94 0.00 0.00 57.00 56.88 1t35 n GLN 177 Cb 0.00 -2.41 -0.09 0.00 0.11 0.00 0.00 30.24 27.85 1t35 n GLN 177 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1t35 s ASN 178 N -1.83 -0.50 0.51 1.08 2.20 -1.26 -5.15 114.94 109.99 1t35 s ASN 178 Ca 0.00 0.95 -0.20 0.00 -0.94 0.00 0.00 52.86 52.67 1t35 s ASN 178 Cb 0.00 0.97 -0.10 0.00 -2.00 0.00 0.00 41.25 40.12 1t35 s ASN 178 CO 0.00 -0.18 0.65 0.00 -2.94 0.00 0.00 177.10 174.64 1t35 n TYR 179 N 2.77 -0.18 -4.37 1.54 9.36 -1.26 -5.04 117.16 119.98 1t35 n TYR 179 Ca -0.14 0.50 -0.29 0.00 3.32 0.00 0.00 57.90 61.30 1t35 n TYR 179 Cb 0.57 -2.03 -0.12 0.00 -0.63 0.00 0.00 39.34 37.13 1t35 n TYR 179 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1t35 s SER 180 N -1.05 3.47 -0.13 2.98 0.01 -1.26 -5.12 113.70 112.61 1t35 s SER 180 Ca 0.67 -0.72 -0.12 0.00 1.31 0.00 0.00 55.95 57.09 1t35 s SER 180 Cb -0.50 -0.30 -0.10 0.00 0.21 0.00 0.00 66.02 65.32 1t35 s SER 180 CO 0.55 0.17 0.24 1.88 0.41 0.00 0.00 173.24 176.49 1t35 h TYR 181 N 3.76 0.00 -1.69 2.43 0.05 -2.05 -3.49 116.97 115.99 1t35 h TYR 181 Ca -0.50 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 57.92 1t35 h TYR 181 Cb 1.17 0.00 0.19 0.00 1.01 0.00 0.00 36.73 39.10 1t35 h TYR 181 CO 0.61 0.43 -1.26 -2.30 -1.05 0.00 0.00 178.16 174.59 1t35 n PRO 182 N -4.68 -1.16 0.00 4.88 -0.02 -1.26 -4.99 135.00 127.77 1t35 n PRO 182 Ca -0.06 -0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.08 1t35 n PRO 182 Cb 0.23 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1t35 n PRO 182 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1t35 n ILE 183 N -4.01 0.00 -0.51 4.25 -5.35 -1.26 -5.28 119.36 107.20 1t35 n ILE 183 Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 1t35 n ILE 183 Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1t35 n ILE 183 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68