#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1umx s GLU 2 N 0.00 2.83 0.71 0.00 -1.05 -1.26 -5.01 118.70 114.92 1umx s GLU 2 Ca 0.00 1.29 -0.12 0.00 -0.15 0.00 0.00 54.97 55.99 1umx s GLU 2 Cb 0.00 -1.96 0.02 0.00 -0.44 0.00 0.00 34.13 31.75 1umx s GLU 2 CO 0.00 -1.22 1.08 -0.47 0.95 0.00 0.00 175.26 175.61 1umx s TYR 3 N -2.50 2.77 -0.01 4.83 5.04 -1.26 -4.99 117.35 121.24 1umx s TYR 3 Ca 0.65 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 56.79 1umx s TYR 3 Cb -0.19 -3.02 -0.00 0.00 0.35 0.00 0.00 41.96 39.10 1umx s TYR 3 CO 0.44 -1.56 0.01 1.04 -1.34 0.00 0.00 175.55 174.14 1umx n GLN 4 N -3.07 4.34 -2.11 4.97 1.13 -1.26 -5.05 117.38 116.33 1umx n GLN 4 Ca 0.09 -0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.11 1umx n GLN 4 Cb 0.53 -0.70 -0.00 0.00 0.11 0.00 0.00 30.24 30.18 1umx n GLN 4 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1umx n ASN 5 N -1.19 -1.87 -0.00 1.08 5.15 -1.26 -4.94 115.26 112.22 1umx n ASN 5 Ca 0.00 -0.01 -0.18 0.00 -0.60 0.00 0.00 54.58 53.79 1umx n ASN 5 Cb 0.01 -1.22 -0.14 0.00 -0.53 0.00 0.00 39.78 37.90 1umx n ASN 5 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1umx n ILE 6 N -3.92 1.75 -4.77 -1.44 2.08 -1.26 -4.84 119.36 106.95 1umx n ILE 6 Ca -0.04 -0.69 -0.28 0.00 0.56 0.00 0.00 62.75 62.30 1umx n ILE 6 Cb 0.53 -1.57 -0.14 0.00 -0.75 0.00 0.00 39.64 37.71 1umx n ILE 6 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1umx s PHE 7 N -2.57 2.08 0.49 1.39 0.08 -1.26 -4.77 117.98 113.42 1umx s PHE 7 Ca -0.18 -0.39 -0.23 0.00 0.12 0.00 0.00 56.93 56.24 1umx s PHE 7 Cb 0.07 -1.24 -0.07 0.00 -0.57 0.00 0.00 43.02 41.21 1umx s PHE 7 CO 0.78 0.11 1.36 -1.12 -0.10 0.00 0.00 175.22 176.25 1umx s SER 8 N -1.22 5.65 0.00 1.36 0.01 -0.35 -4.92 113.70 114.23 1umx s SER 8 Ca 0.10 2.76 0.22 0.00 1.31 0.00 0.00 55.95 60.33 1umx s SER 8 Cb -0.09 -2.64 0.21 0.00 0.21 0.00 0.00 66.02 63.71 1umx s SER 8 CO 0.02 -1.31 1.22 0.00 0.41 0.00 0.00 173.24 173.58 1umx n GLN 9 N -0.60 2.11 -3.66 12.44 10.64 -1.26 -4.88 117.38 132.18 1umx n GLN 9 Ca 0.08 -1.88 -0.07 0.00 -1.83 0.00 0.00 57.00 53.30 1umx n GLN 9 Cb 0.44 -1.43 -0.08 0.00 -0.86 0.00 0.00 30.24 28.31 1umx n GLN 9 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1umx s VAL 10 N -1.75 -0.37 0.54 -0.39 1.01 -1.26 -5.18 120.40 113.00 1umx s VAL 10 Ca 0.28 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.35 1umx s VAL 10 Cb 0.19 -0.84 0.05 0.00 0.00 0.00 0.00 36.38 35.77 1umx s VAL 10 CO 0.28 0.02 0.75 -1.10 0.00 0.00 0.00 175.10 175.05 1umx s GLN 11 N 2.08 2.47 -0.24 2.72 -0.21 -1.26 -5.10 119.66 120.12 1umx s GLN 11 Ca -0.07 -1.03 -0.09 0.00 0.02 0.00 0.00 55.36 54.19 1umx s GLN 11 Cb -0.09 -2.55 0.10 0.00 1.00 0.00 0.00 33.01 31.47 1umx s GLN 11 CO -0.17 -0.71 0.52 0.54 -2.12 0.00 0.00 175.29 173.35 1umx s VAL 12 N -2.70 -0.69 0.16 1.09 0.11 -1.26 -5.16 120.40 111.94 1umx s VAL 12 Ca 0.58 0.09 0.09 0.00 -2.93 0.00 0.00 61.98 59.82 1umx s VAL 12 Cb -0.09 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1umx s VAL 12 CO 0.38 0.04 -0.13 -0.60 -3.33 0.00 0.00 175.10 171.45 1umx s ARG 13 N 2.57 1.94 0.20 1.54 3.52 -1.26 -5.06 118.95 122.41 1umx s ARG 13 Ca -0.04 -1.24 -0.00 0.00 -0.13 0.00 0.00 55.73 54.31 1umx s ARG 13 Cb -0.11 -2.13 0.00 0.00 -1.56 0.00 0.00 34.95 31.15 1umx s ARG 13 CO -0.15 0.45 0.27 0.41 -0.81 0.00 0.00 175.30 175.46 1umx n GLY 14 N 0.34 2.67 3.65 8.12 0.00 -1.26 -5.14 105.19 113.58 1umx n GLY 14 Ca -0.13 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 1umx n GLY 14 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1umx n PRO 15 N -0.35 1.75 -1.37 1.61 -0.02 -1.26 -4.89 135.00 130.46 1umx n PRO 15 Ca 0.01 0.62 -0.44 0.00 -2.02 0.00 0.00 63.50 61.67 1umx n PRO 15 Cb 0.35 -2.14 -0.01 0.00 -0.02 0.00 0.00 33.50 31.68 1umx n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1umx n ALA 16 N 0.12 -2.50 -3.12 3.55 0.00 -1.26 -4.93 120.51 112.37 1umx n ALA 16 Ca 0.07 0.23 -0.33 0.00 0.00 0.00 0.00 53.44 53.40 1umx n ALA 16 Cb 0.36 -1.60 -0.14 0.00 0.00 0.00 0.00 19.45 18.07 1umx n ALA 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1umx s ASP 17 N -0.97 4.28 0.00 0.00 3.68 -1.26 -4.96 116.67 117.44 1umx s ASP 17 Ca 0.61 -0.28 0.22 0.00 2.13 0.00 0.00 52.55 55.23 1umx s ASP 17 Cb -0.71 -1.68 0.51 0.00 -1.45 0.00 0.00 42.92 39.59 1umx s ASP 17 CO 0.60 0.14 1.44 0.18 0.13 0.00 0.00 175.17 177.66 1umx n LEU 18 N 3.74 3.64 -0.77 -1.34 4.77 -1.26 -4.68 117.00 121.09 1umx n LEU 18 Ca -0.18 -1.72 0.10 0.00 -0.03 0.00 0.00 56.01 54.18 1umx n LEU 18 Cb 0.52 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1umx n LEU 18 CO 0.31 0.84 -0.17 0.61 -1.33 0.00 0.00 177.39 177.66 1umx n GLY 19 N 1.52 -1.78 3.85 -0.72 0.00 -1.26 -4.90 105.19 101.90 1umx n GLY 19 Ca 0.21 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 1umx n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1umx s MET 20 N -1.90 2.71 -0.14 1.61 -1.94 -1.26 -5.01 119.30 113.36 1umx s MET 20 Ca 0.00 0.62 -0.08 0.00 -1.71 0.00 0.00 55.69 54.52 1umx s MET 20 Cb 0.00 -1.99 -0.06 0.00 2.01 0.00 0.00 34.83 34.79 1umx s MET 20 CO 0.00 -1.18 -0.20 2.41 -0.01 0.00 0.00 175.02 176.05 1umx n THR 21 N -3.13 0.88 0.00 2.05 -1.04 -1.26 -4.94 114.28 106.84 1umx n THR 21 Ca 0.07 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1umx n THR 21 Cb 0.56 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 1umx n THR 21 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1umx n GLU 22 N -3.71 0.00 -0.89 -2.82 -0.58 -1.26 -1.02 120.64 110.35 1umx n GLU 22 Ca -0.28 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.23 1umx n GLU 22 Cb 0.68 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.49 1umx n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1umx n ASP 23 N -2.19 5.65 -4.61 1.62 10.43 -1.10 -4.90 116.55 121.45 1umx n ASP 23 Ca 0.00 -2.36 -0.34 0.00 2.57 0.00 0.00 54.79 54.66 1umx n ASP 23 Cb 0.00 -1.21 -0.11 0.00 1.84 0.00 0.00 41.12 41.65 1umx n ASP 23 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1umx s VAL 24 N 2.48 3.83 -0.79 2.53 1.01 -0.19 -4.63 120.40 124.64 1umx s VAL 24 Ca 0.51 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.78 1umx s VAL 24 Cb 0.17 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.96 1umx s VAL 24 CO -0.03 0.58 1.67 0.21 0.00 0.00 0.00 175.10 177.53 1umx s ASN 25 N -0.89 5.68 0.39 3.32 3.04 -1.26 -4.77 114.94 120.45 1umx s ASN 25 Ca 0.13 -0.42 0.11 0.00 0.04 0.00 0.00 52.86 52.71 1umx s ASN 25 Cb -0.11 -2.55 0.58 0.00 -1.54 0.00 0.00 41.25 37.63 1umx s ASN 25 CO 0.02 -2.18 1.20 -0.07 -3.04 0.00 0.00 177.10 173.04 1umx h LEU 26 N 15.29 0.00 -1.21 3.21 -0.00 -1.95 -0.27 115.31 130.38 1umx h LEU 26 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 1umx h LEU 26 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 1umx h LEU 26 CO 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 179.71 1umx h ALA 27 N 0.81 1.00 -0.41 1.53 0.00 -2.00 -3.00 119.26 117.20 1umx h ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1umx h ALA 27 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1umx h ALA 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1umx n ASN 28 N -2.68 3.48 -4.82 0.00 3.02 -0.11 -4.93 115.26 109.22 1umx n ASN 28 Ca 0.01 -1.99 -0.38 0.00 -0.03 0.00 0.00 54.58 52.20 1umx n ASN 28 Cb 0.25 -0.26 -0.06 0.00 -0.61 0.00 0.00 39.78 39.09 1umx n ASN 28 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1umx s ARG 29 N -1.43 3.92 0.00 3.52 0.52 -1.14 -2.11 118.95 122.23 1umx s ARG 29 Ca 0.39 0.30 0.00 0.00 -0.52 0.00 0.00 55.73 55.90 1umx s ARG 29 Cb 0.23 -3.26 0.00 0.00 0.52 0.00 0.00 34.95 32.44 1umx s ARG 29 CO 0.31 0.61 0.00 -1.13 0.02 0.00 0.00 175.30 175.11 1umx n SER 30 N 2.18 -0.30 -4.98 0.23 3.41 -0.12 -4.95 113.62 109.08 1umx n SER 30 Ca -0.14 -0.10 -0.19 0.00 -0.26 0.00 0.00 58.87 58.19 1umx n SER 30 Cb 0.53 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.51 1umx n SER 30 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1umx s GLY 31 N -1.34 1.87 0.18 5.00 0.00 -1.26 -4.72 107.32 107.05 1umx s GLY 31 Ca 0.00 -1.65 -0.30 0.00 0.00 0.00 0.00 44.72 42.77 1umx s GLY 31 CO 0.00 -1.38 0.94 0.14 0.00 0.00 0.00 173.10 172.80 1umx s VAL 32 N -2.56 4.28 0.00 1.40 1.01 -1.26 -4.02 120.40 119.25 1umx s VAL 32 Ca 0.57 2.06 0.00 0.00 0.00 0.00 0.00 61.98 64.61 1umx s VAL 32 Cb -0.09 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1umx s VAL 32 CO 0.36 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.49 1umx n GLY 33 N 1.84 -0.91 2.59 4.51 0.00 -0.56 -4.91 105.19 107.74 1umx n GLY 33 Ca -0.00 -1.67 -0.23 0.00 0.00 0.00 0.00 46.02 44.12 1umx n GLY 33 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1umx n PRO 34 N -0.66 -3.17 -4.20 1.61 -0.05 -1.26 -4.48 135.00 122.78 1umx n PRO 34 Ca 0.00 -1.26 -0.34 0.00 -0.05 0.00 0.00 63.50 61.85 1umx n PRO 34 Cb 0.00 -1.32 -0.14 0.00 -0.05 0.00 0.00 33.50 31.99 1umx n PRO 34 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 1umx s PHE 35 N -2.29 2.90 -0.16 0.54 0.40 -1.26 -1.58 117.98 116.53 1umx s PHE 35 Ca 0.53 -0.89 -0.17 0.00 -0.60 0.00 0.00 56.93 55.81 1umx s PHE 35 Cb -0.07 -2.01 -0.04 0.00 0.51 0.00 0.00 43.02 41.42 1umx s PHE 35 CO 0.42 -0.45 0.43 0.45 0.70 0.00 0.00 175.22 176.77 1umx s SER 36 N 1.08 6.55 0.19 1.36 0.15 0.72 -4.90 113.70 118.86 1umx s SER 36 Ca 0.01 0.66 0.25 0.00 0.70 0.00 0.00 55.95 57.56 1umx s SER 36 Cb -0.15 -2.25 0.52 0.00 -1.71 0.00 0.00 66.02 62.43 1umx s SER 36 CO -0.01 -0.03 1.52 0.74 1.20 0.00 0.00 173.24 176.66 1umx h THR 37 N 4.86 0.00 0.34 6.45 2.02 -1.96 -2.53 112.91 122.09 1umx h THR 37 Ca -0.39 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.21 1umx h THR 37 Cb 1.17 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1umx h THR 37 CO 0.74 0.00 -0.16 0.25 0.37 0.00 0.00 175.52 176.72 1umx h LEU 38 N 0.00 -0.39 -0.75 2.58 5.85 -1.96 -3.14 115.31 117.50 1umx h LEU 38 Ca 0.00 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.88 1umx h LEU 38 Cb 0.78 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.81 1umx h LEU 38 CO 0.00 -0.07 0.28 -0.07 -0.34 0.00 0.00 178.44 178.23 1umx h LEU 39 N -0.87 0.23 -1.02 2.25 3.38 -1.89 -1.47 115.31 115.91 1umx h LEU 39 Ca -0.05 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.15 1umx h LEU 39 Cb 0.35 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1umx h LEU 39 CO 0.08 0.07 0.85 1.23 0.09 0.00 0.00 178.44 180.76 1umx h GLY 40 N 0.40 0.00 2.00 0.83 0.00 -1.44 0.66 103.07 105.52 1umx h GLY 40 Ca 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 1umx h GLY 40 CO -0.43 0.00 -0.11 1.49 0.00 0.00 0.00 176.54 177.49 1umx h TRP 41 N 0.00 0.00 0.00 5.60 4.06 -1.22 -3.38 115.95 121.01 1umx h TRP 41 Ca 0.18 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.83 1umx h TRP 41 Cb 1.88 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.98 1umx h TRP 41 CO 0.00 0.11 -2.12 0.34 -3.56 0.00 0.00 178.44 173.21 1umx n PHE 42 N -3.14 0.00 -0.25 0.49 7.35 0.22 -1.21 117.46 120.92 1umx n PHE 42 Ca 0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 1umx n PHE 42 Cb 0.54 -0.75 0.00 0.00 0.35 0.00 0.00 39.48 39.62 1umx n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1umx n GLY 43 N 2.44 4.75 3.73 7.13 0.00 -0.21 -4.86 105.19 118.17 1umx n GLY 43 Ca -0.36 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 1umx n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1umx s ASN 44 N 1.46 7.30 0.45 1.61 0.02 -1.26 -3.88 114.94 120.63 1umx s ASN 44 Ca 0.00 2.01 0.25 0.00 -1.02 0.00 0.00 52.86 54.10 1umx s ASN 44 Cb 0.00 -2.60 0.55 0.00 0.02 0.00 0.00 41.25 39.22 1umx s ASN 44 CO 0.00 -0.21 1.68 0.00 0.02 0.00 0.00 177.10 178.59 1umx h ALA 45 N 5.42 0.98 -2.19 0.60 0.00 -1.86 -3.39 119.26 118.81 1umx h ALA 45 Ca -0.44 -0.04 -0.56 0.00 0.00 0.00 0.00 54.91 53.87 1umx h ALA 45 Cb 1.21 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1umx h ALA 45 CO 0.73 0.06 0.97 -1.14 0.00 0.00 0.00 179.25 179.87 1umx s GLN 46 N -3.30 4.21 0.09 0.00 0.74 -1.26 -0.20 119.66 119.95 1umx s GLN 46 Ca 0.05 1.86 -0.14 0.00 0.05 0.00 0.00 55.36 57.18 1umx s GLN 46 Cb 0.06 -3.84 -0.06 0.00 1.10 0.00 0.00 33.01 30.26 1umx s GLN 46 CO 0.65 -0.76 0.50 -0.51 -0.55 0.00 0.00 175.29 174.62 1umx s LEU 47 N 3.68 4.40 0.26 3.68 1.43 -0.61 -4.93 118.68 126.59 1umx s LEU 47 Ca 0.62 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.76 1umx s LEU 47 Cb -0.26 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 42.94 1umx s LEU 47 CO 0.20 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.58 1umx n GLY 48 N 1.18 -2.24 3.90 -3.19 0.00 -1.26 -1.50 105.19 102.07 1umx n GLY 48 Ca -0.08 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 1umx n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1umx s PRO 49 N -2.56 2.55 0.37 1.61 0.04 -1.26 -4.51 135.00 131.25 1umx s PRO 49 Ca 0.00 0.22 0.08 0.00 0.04 0.00 0.00 61.00 61.34 1umx s PRO 49 Cb 0.00 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1umx s PRO 49 CO 0.00 -1.16 0.23 -1.50 0.04 0.00 0.00 177.00 174.61 1umx s ILE 50 N -3.35 2.87 -0.33 0.56 -1.16 -1.26 -4.89 121.20 113.64 1umx s ILE 50 Ca 0.59 -1.56 0.03 0.00 -0.51 0.00 0.00 60.65 59.20 1umx s ILE 50 Cb -0.11 -3.02 0.10 0.00 0.61 0.00 0.00 42.46 40.04 1umx s ILE 50 CO 0.49 -0.10 0.06 -0.47 -2.81 0.00 0.00 174.94 172.11 1umx s TYR 51 N -2.45 3.33 0.77 3.50 6.14 -1.26 -0.95 117.35 126.43 1umx s TYR 51 Ca 0.41 -2.73 -0.06 0.00 0.64 0.00 0.00 57.07 55.33 1umx s TYR 51 Cb -0.02 -2.66 0.12 0.00 0.42 0.00 0.00 41.96 39.82 1umx s TYR 51 CO 0.25 -0.93 1.08 -0.51 0.64 0.00 0.00 175.55 176.07 1umx s LEU 52 N 1.05 2.88 0.00 6.97 2.01 -0.90 -4.92 118.68 125.77 1umx s LEU 52 Ca 0.10 0.05 0.00 0.00 0.01 0.00 0.00 54.13 54.29 1umx s LEU 52 Cb -0.19 -2.43 0.00 0.00 0.01 0.00 0.00 46.19 43.59 1umx s LEU 52 CO -0.11 -1.99 0.00 0.61 1.01 0.00 0.00 176.35 175.87 1umx n GLY 53 N -3.08 1.32 0.32 -3.19 0.00 -1.26 -4.67 105.19 94.62 1umx n GLY 53 Ca 0.13 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 1umx n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1umx n SER 54 N 0.00 -0.76 -0.13 1.61 7.64 -1.26 -0.25 113.62 120.47 1umx n SER 54 Ca 0.00 1.36 -0.08 0.00 1.01 0.00 0.00 58.87 61.16 1umx n SER 54 Cb 0.00 -0.20 0.08 0.00 -1.01 0.00 0.00 64.21 63.08 1umx n SER 54 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1umx h LEU 55 N 0.00 0.87 -0.27 -3.43 5.85 -1.96 0.44 115.31 116.81 1umx h LEU 55 Ca 0.15 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1umx h LEU 55 Cb 0.34 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1umx h LEU 55 CO -0.73 1.00 0.08 1.23 -0.34 0.00 0.00 178.44 179.69 1umx h GLY 56 N 0.96 0.46 1.16 3.75 0.00 -1.22 0.14 103.07 108.32 1umx h GLY 56 Ca 0.12 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 47.02 1umx h GLY 56 CO 0.05 0.26 -0.42 -2.08 0.00 0.00 0.00 176.54 174.34 1umx h VAL 57 N 0.27 1.27 0.34 4.60 2.07 -0.34 0.12 116.25 124.58 1umx h VAL 57 Ca 0.09 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 1umx h VAL 57 Cb 0.25 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1umx h VAL 57 CO -0.00 0.53 -0.49 0.25 0.02 0.00 0.00 177.57 177.88 1umx h LEU 58 N 0.74 -1.39 -0.25 2.57 5.85 0.12 0.12 115.31 123.06 1umx h LEU 58 Ca 0.05 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1umx h LEU 58 Cb 1.01 0.48 -0.06 0.00 0.37 0.00 0.00 40.66 42.47 1umx h LEU 58 CO 0.10 -0.59 -0.39 -1.28 -0.34 0.00 0.00 178.44 175.93 1umx h SER 59 N -0.87 -1.29 -0.95 1.25 0.87 -0.64 -1.22 113.55 110.70 1umx h SER 59 Ca -0.04 0.17 0.08 0.00 -1.23 0.00 0.00 61.79 60.76 1umx h SER 59 Cb 0.79 0.53 -0.07 0.00 -0.44 0.00 0.00 62.40 63.21 1umx h SER 59 CO -0.14 -0.29 0.62 0.25 -0.53 0.00 0.00 176.83 176.73 1umx h LEU 60 N -0.31 0.95 -0.32 2.23 6.46 -0.61 0.15 115.31 123.87 1umx h LEU 60 Ca 0.05 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 1umx h LEU 60 Cb 0.43 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1umx h LEU 60 CO -0.40 0.59 0.05 0.15 -0.62 0.00 0.00 178.44 178.21 1umx h PHE 61 N 1.06 0.56 -0.22 1.25 3.57 -0.10 -2.53 116.94 120.54 1umx h PHE 61 Ca 0.42 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1umx h PHE 61 Cb 0.25 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1umx h PHE 61 CO -0.00 0.61 0.11 0.77 -2.23 0.00 0.00 178.31 177.57 1umx h SER 62 N 0.35 0.29 -0.76 0.41 0.02 -0.46 -1.70 113.55 111.71 1umx h SER 62 Ca 0.10 -0.12 0.09 0.00 -0.84 0.00 0.00 61.79 61.02 1umx h SER 62 Cb 0.36 -0.08 -0.11 0.00 0.14 0.00 0.00 62.40 62.71 1umx h SER 62 CO 0.01 0.33 -0.37 0.61 -1.14 0.00 0.00 176.83 176.27 1umx n GLY 63 N -0.83 -1.76 0.25 -3.77 0.00 0.47 0.37 105.19 99.91 1umx n GLY 63 Ca -0.03 0.88 -0.10 0.00 0.00 0.00 0.00 46.02 46.76 1umx n GLY 63 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1umx h LEU 64 N 0.00 0.82 -0.69 0.99 3.38 -1.20 -1.28 115.31 117.32 1umx h LEU 64 Ca 0.20 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 57.95 1umx h LEU 64 Cb 0.38 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.84 1umx h LEU 64 CO -0.73 0.93 0.30 0.24 0.09 0.00 0.00 178.44 179.27 1umx h MET 65 N 0.68 0.49 0.59 1.13 2.86 0.87 0.41 114.93 121.95 1umx h MET 65 Ca 0.13 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1umx h MET 65 Cb 0.53 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 32.08 1umx h MET 65 CO 0.03 0.32 -0.28 2.35 1.06 0.00 0.00 176.91 180.39 1umx h TRP 66 N 0.50 -0.74 -0.70 -0.22 7.01 -0.84 0.59 115.95 121.56 1umx h TRP 66 Ca 0.35 -0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.42 1umx h TRP 66 Cb 0.43 0.24 -0.11 0.00 -2.10 0.00 0.00 29.16 27.62 1umx h TRP 66 CO -0.14 -0.41 -0.48 0.35 -2.79 0.00 0.00 178.44 174.98 1umx h PHE 67 N -0.99 -1.44 -0.46 2.65 3.57 -0.56 -0.92 116.94 118.79 1umx h PHE 67 Ca -0.08 0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 1umx h PHE 67 Cb 0.66 0.73 -0.02 0.00 2.79 0.00 0.00 35.95 40.11 1umx h PHE 67 CO -0.00 -0.42 -0.01 0.74 -2.23 0.00 0.00 178.31 176.39 1umx h PHE 68 N -0.17 0.80 -0.56 0.41 0.04 -0.21 -2.14 116.94 115.11 1umx h PHE 68 Ca 0.18 -0.11 0.07 0.00 2.80 0.00 0.00 57.97 60.92 1umx h PHE 68 Cb 0.54 -0.22 -0.06 0.00 2.20 0.00 0.00 35.95 38.41 1umx h PHE 68 CO -0.80 0.75 0.23 1.15 -0.60 0.00 0.00 178.31 179.04 1umx h THR 69 N 0.71 0.84 -0.41 -1.55 2.02 0.52 0.68 112.91 115.71 1umx h THR 69 Ca 0.14 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1umx h THR 69 Cb 0.45 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1umx h THR 69 CO 0.02 0.08 0.19 0.40 0.37 0.00 0.00 175.52 176.58 1umx h ILE 70 N 0.42 1.18 -0.78 3.11 2.04 -1.30 -2.81 117.51 119.37 1umx h ILE 70 Ca 0.27 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.65 1umx h ILE 70 Cb 0.28 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 1umx h ILE 70 CO -0.25 0.20 0.49 1.23 0.00 0.00 0.00 178.15 179.81 1umx h GLY 71 N 0.52 1.14 0.19 5.37 0.00 -0.33 -0.01 103.07 109.95 1umx h GLY 71 Ca 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1umx h GLY 71 CO -0.02 0.29 -0.36 -2.22 0.00 0.00 0.00 176.54 174.23 1umx h ILE 72 N 0.93 0.00 -0.84 2.60 1.08 0.43 -1.38 117.51 120.32 1umx h ILE 72 Ca 0.32 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.89 1umx h ILE 72 Cb 0.07 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.70 1umx h ILE 72 CO -0.13 0.00 -0.52 -0.25 -0.69 0.00 0.00 178.15 176.56 1umx h TRP 73 N -0.60 -1.62 -0.69 1.37 2.91 -1.11 0.37 115.95 116.59 1umx h TRP 73 Ca -0.02 0.11 0.15 0.00 1.13 0.00 0.00 58.89 60.26 1umx h TRP 73 Cb 0.56 0.82 -0.11 0.00 -0.51 0.00 0.00 29.16 29.92 1umx h TRP 73 CO -0.32 -0.40 0.08 0.74 -1.03 0.00 0.00 178.44 177.51 1umx h PHE 74 N -0.10 0.10 -0.41 2.65 -1.00 -0.76 0.24 116.94 117.67 1umx h PHE 74 Ca 0.19 0.05 0.08 0.00 2.81 0.00 0.00 57.97 61.09 1umx h PHE 74 Cb 0.50 0.06 -0.07 0.00 3.61 0.00 0.00 35.95 40.05 1umx h PHE 74 CO -0.90 -0.14 -0.07 -1.49 -1.61 0.00 0.00 178.31 174.10 1umx h TRP 75 N 0.18 -0.15 -0.60 -0.55 4.06 0.80 -0.20 115.95 119.49 1umx h TRP 75 Ca 0.38 0.03 0.02 0.00 2.06 0.00 0.00 58.89 61.38 1umx h TRP 75 Cb 0.63 0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.89 1umx h TRP 75 CO -0.33 -0.15 0.37 -0.92 -3.56 0.00 0.00 178.44 173.86 1umx h TYR 76 N 0.03 0.69 -0.80 0.49 3.20 0.72 -1.30 116.97 120.00 1umx h TYR 76 Ca 0.20 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.13 1umx h TYR 76 Cb 0.30 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.30 1umx h TYR 76 CO -0.33 0.40 0.53 1.96 -1.64 0.00 0.00 178.16 179.07 1umx h GLN 77 N 0.73 0.94 0.00 1.82 4.20 0.74 0.72 115.11 124.26 1umx h GLN 77 Ca 0.24 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1umx h GLN 77 Cb 0.01 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1umx h GLN 77 CO -0.09 0.62 0.00 0.00 -0.67 0.00 0.00 178.83 178.69 1umx h ALA 78 N 1.54 1.00 -3.93 3.87 0.00 -0.14 -3.45 119.26 118.14 1umx h ALA 78 Ca 0.32 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.01 1umx h ALA 78 Cb 0.08 0.00 0.09 0.00 0.00 0.00 0.00 17.79 17.95 1umx h ALA 78 CO -0.10 0.00 -0.41 0.41 0.00 0.00 0.00 179.25 179.15 1umx n GLY 79 N -0.10 0.04 3.78 0.00 0.00 0.25 -3.60 105.19 105.56 1umx n GLY 79 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1umx n GLY 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1umx n TRP 80 N -3.66 0.00 -3.67 1.61 7.02 -0.58 -4.97 117.44 113.19 1umx n TRP 80 Ca -0.04 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.05 1umx n TRP 80 Cb 0.55 -0.96 -0.12 0.00 -2.42 0.00 0.00 31.31 28.36 1umx n TRP 80 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1umx s ASN 81 N -2.37 5.48 0.08 -0.99 2.20 -1.24 -4.98 114.94 113.12 1umx s ASN 81 Ca 0.00 -0.51 -0.08 0.00 -0.94 0.00 0.00 52.86 51.33 1umx s ASN 81 Cb 0.00 -1.99 0.06 0.00 -2.00 0.00 0.00 41.25 37.32 1umx s ASN 81 CO 0.00 -0.18 0.60 -2.65 -2.94 0.00 0.00 177.10 171.94 1umx n PRO 82 N 4.97 -0.12 -0.22 3.55 -0.02 -1.26 0.15 135.00 142.05 1umx n PRO 82 Ca -0.14 0.60 0.03 0.00 -2.02 0.00 0.00 63.50 61.96 1umx n PRO 82 Cb 0.49 -0.88 0.13 0.00 -0.02 0.00 0.00 33.50 33.22 1umx n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1umx h ALA 83 N 0.43 0.73 0.01 3.55 0.00 -1.99 0.18 119.26 122.18 1umx h ALA 83 Ca 0.11 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1umx h ALA 83 Cb 0.21 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1umx h ALA 83 CO -0.38 -0.38 -0.00 0.28 0.00 0.00 0.00 179.25 178.77 1umx h VAL 84 N 0.16 1.30 -0.56 0.00 2.07 1.00 -0.31 116.25 119.91 1umx h VAL 84 Ca 0.36 -0.93 0.11 0.00 0.82 0.00 0.00 66.70 67.06 1umx h VAL 84 Cb 0.60 1.93 -0.11 0.00 -1.52 0.00 0.00 31.29 32.19 1umx h VAL 84 CO -0.54 0.24 -0.23 0.15 0.02 0.00 0.00 177.57 177.21 1umx h PHE 85 N -0.41 -0.59 -0.63 1.57 3.57 -0.83 0.37 116.94 119.99 1umx h PHE 85 Ca -0.00 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1umx h PHE 85 Cb 0.40 0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 1umx h PHE 85 CO 0.06 -0.32 0.25 -0.07 -2.23 0.00 0.00 178.31 176.00 1umx h LEU 86 N -0.10 0.87 -0.16 0.59 3.38 -0.94 -2.66 115.31 116.30 1umx h LEU 86 Ca 0.25 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1umx h LEU 86 Cb 0.50 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1umx h LEU 86 CO -0.62 0.81 0.08 -0.09 0.09 0.00 0.00 178.44 178.71 1umx h ARG 87 N 0.88 0.23 -0.93 1.13 2.43 0.14 -3.04 114.38 115.22 1umx h ARG 87 Ca 0.21 -0.03 -0.49 0.00 -0.81 0.00 0.00 59.98 58.86 1umx h ARG 87 Cb 0.21 -0.04 -0.29 0.00 -0.42 0.00 0.00 29.97 29.43 1umx h ARG 87 CO -0.02 0.24 0.58 -0.25 -1.51 0.00 0.00 179.97 179.02 1umx n ASP 88 N -4.91 3.85 -0.02 -3.80 8.00 0.18 -4.73 116.55 115.11 1umx n ASP 88 Ca -0.04 -3.64 -0.09 0.00 0.71 0.00 0.00 54.79 51.73 1umx n ASP 88 Cb 0.08 -0.82 -0.03 0.00 -0.02 0.00 0.00 41.12 40.33 1umx n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1umx h LEU 89 N 1.06 -0.29 -0.08 0.64 5.85 -1.35 0.12 115.31 121.26 1umx h LEU 89 Ca 0.59 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.38 1umx h LEU 89 Cb 2.62 0.16 0.00 0.00 0.37 0.00 0.00 40.66 43.81 1umx h LEU 89 CO 1.06 -0.12 0.00 0.49 -0.34 0.00 0.00 178.44 179.53 1umx n PHE 90 N -5.24 0.10 0.17 1.25 3.01 -1.26 -3.07 117.46 112.42 1umx n PHE 90 Ca -0.03 0.04 0.11 0.00 1.01 0.00 0.00 57.45 58.58 1umx n PHE 90 Cb 0.16 -0.56 -0.13 0.00 -0.01 0.00 0.00 39.48 38.94 1umx n PHE 90 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1umx n PHE 91 N -1.59 0.15 -0.78 1.38 3.72 0.36 -1.83 117.46 118.86 1umx n PHE 91 Ca 0.04 0.04 -0.29 0.00 -0.05 0.00 0.00 57.45 57.19 1umx n PHE 91 Cb 0.19 -0.50 0.24 0.00 -0.94 0.00 0.00 39.48 38.48 1umx n PHE 91 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1umx s PHE 92 N -3.41 0.92 -0.30 1.38 0.08 -0.81 -4.89 117.98 110.94 1umx s PHE 92 Ca -0.04 0.83 -0.23 0.00 0.12 0.00 0.00 56.93 57.62 1umx s PHE 92 Cb 0.14 -3.17 0.18 0.00 -0.57 0.00 0.00 43.02 39.60 1umx s PHE 92 CO 0.88 -3.91 1.33 0.45 -0.10 0.00 0.00 175.22 173.87 1umx s SER 93 N -3.19 -0.13 -0.32 1.36 0.15 -1.26 -4.50 113.70 105.81 1umx s SER 93 Ca 0.68 0.24 -0.06 0.00 0.70 0.00 0.00 55.95 57.51 1umx s SER 93 Cb -0.18 0.46 0.03 0.00 -1.71 0.00 0.00 66.02 64.63 1umx s SER 93 CO 0.60 -0.04 0.08 -0.22 1.20 0.00 0.00 173.24 174.86 1umx s LEU 94 N 0.34 4.13 0.02 3.45 2.96 -0.33 -4.93 118.68 124.32 1umx s LEU 94 Ca 0.03 -1.06 -0.01 0.00 -0.22 0.00 0.00 54.13 52.87 1umx s LEU 94 Cb -0.04 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1umx s LEU 94 CO -0.13 -0.28 0.17 -1.61 -1.32 0.00 0.00 176.35 173.18 1umx s GLU 95 N 1.40 3.36 1.17 1.98 0.41 -1.26 -1.11 118.70 124.65 1umx s GLU 95 Ca -0.01 -0.40 -0.13 0.00 -0.41 0.00 0.00 54.97 54.03 1umx s GLU 95 Cb -0.19 -3.03 0.29 0.00 -1.78 0.00 0.00 34.13 29.42 1umx s GLU 95 CO 0.02 0.65 1.03 -1.25 -0.49 0.00 0.00 175.26 175.22 1umx s PRO 96 N -2.11 -0.94 0.62 0.39 0.04 -1.26 -4.49 135.00 127.24 1umx s PRO 96 Ca 0.29 0.90 -0.19 0.00 0.04 0.00 0.00 61.00 62.04 1umx s PRO 96 Cb -0.13 -1.55 -0.02 0.00 0.04 0.00 0.00 34.50 32.84 1umx s PRO 96 CO 0.21 -3.76 1.27 -1.25 0.04 0.00 0.00 177.00 173.51 1umx s PRO 97 N -4.44 2.77 0.75 0.56 0.04 -1.25 -4.67 135.00 128.76 1umx s PRO 97 Ca 0.69 1.99 -0.15 0.00 0.04 0.00 0.00 61.00 63.57 1umx s PRO 97 Cb -0.25 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.42 1umx s PRO 97 CO 0.65 -1.41 1.22 0.00 0.04 0.00 0.00 177.00 177.50 1umx s ALA 98 N -1.46 2.03 0.23 8.56 0.00 -1.24 -3.67 121.76 126.22 1umx s ALA 98 Ca 0.80 0.91 -0.11 0.00 0.00 0.00 0.00 51.96 53.56 1umx s ALA 98 Cb -0.35 -3.49 0.32 0.00 0.00 0.00 0.00 23.12 19.60 1umx s ALA 98 CO 0.38 -2.02 1.62 -1.35 0.00 0.00 0.00 175.76 174.39 1umx h PRO 99 N -0.44 0.03 -0.47 0.00 0.11 -1.93 0.73 132.00 130.03 1umx h PRO 99 Ca -0.47 -0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.81 1umx h PRO 99 Cb 1.30 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.32 1umx h PRO 99 CO 0.49 0.02 0.19 -1.91 -0.21 0.00 0.00 178.00 176.58 1umx n GLU 100 N -5.42 -0.03 -0.10 1.05 2.13 -1.26 -0.31 120.64 116.69 1umx n GLU 100 Ca 0.10 0.66 0.08 0.00 0.66 0.00 0.00 57.16 58.66 1umx n GLU 100 Cb 0.39 -1.15 0.27 0.00 0.27 0.00 0.00 31.44 31.23 1umx n GLU 100 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1umx n TYR 101 N -4.18 0.27 -0.94 4.31 4.01 0.25 -5.01 117.16 115.87 1umx n TYR 101 Ca 0.16 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1umx n TYR 101 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 1umx n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1umx n GLY 102 N 1.01 2.24 0.76 2.72 0.00 0.58 -2.03 105.19 110.47 1umx n GLY 102 Ca 0.13 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.06 1umx n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1umx n LEU 103 N 0.00 2.27 -4.81 0.99 4.77 -1.20 -2.86 117.00 116.17 1umx n LEU 103 Ca 0.00 -1.00 -0.31 0.00 -0.03 0.00 0.00 56.01 54.67 1umx n LEU 103 Cb 0.00 -0.18 0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1umx n LEU 103 CO 0.00 0.50 0.71 -0.94 -1.33 0.00 0.00 177.39 176.33 1umx s SER 104 N -1.43 4.88 -0.32 -1.43 1.04 -0.86 -4.93 113.70 110.65 1umx s SER 104 Ca 0.33 1.51 0.07 0.00 0.48 0.00 0.00 55.95 58.34 1umx s SER 104 Cb 0.18 -2.30 0.65 0.00 0.10 0.00 0.00 66.02 64.65 1umx s SER 104 CO 0.26 -1.75 1.72 0.49 0.98 0.00 0.00 173.24 174.95 1umx n PHE 105 N -3.31 2.35 0.99 5.02 3.72 -1.26 -4.54 117.46 120.43 1umx n PHE 105 Ca 0.07 -1.25 0.11 0.00 -0.05 0.00 0.00 57.45 56.33 1umx n PHE 105 Cb 0.55 -0.70 0.07 0.00 -0.94 0.00 0.00 39.48 38.45 1umx n PHE 105 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1umx n ALA 106 N -0.33 4.12 -1.75 4.37 0.00 -1.26 -4.96 120.51 120.70 1umx n ALA 106 Ca 0.41 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 1umx n ALA 106 Cb 1.35 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 19.86 1umx n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1umx n ALA 107 N -1.51 1.99 -1.30 0.00 0.00 -1.26 -4.95 120.51 113.49 1umx n ALA 107 Ca 0.05 0.29 -0.34 0.00 0.00 0.00 0.00 53.44 53.44 1umx n ALA 107 Cb 0.34 -2.37 0.11 0.00 0.00 0.00 0.00 19.45 17.52 1umx n ALA 107 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1umx s PRO 108 N -2.24 1.90 0.08 0.00 0.02 -1.26 -3.67 135.00 129.83 1umx s PRO 108 Ca 0.58 1.86 -0.22 0.00 0.02 0.00 0.00 61.00 63.24 1umx s PRO 108 Cb -0.48 -1.79 -0.08 0.00 0.02 0.00 0.00 34.50 32.17 1umx s PRO 108 CO 0.60 -2.04 1.37 -0.07 -0.33 0.00 0.00 177.00 176.52 1umx h LEU 109 N -0.47 -1.21 -2.27 -5.54 3.38 -1.90 0.26 115.31 107.56 1umx h LEU 109 Ca -0.48 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1umx h LEU 109 Cb 1.31 0.49 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1umx h LEU 109 CO 0.48 -0.29 0.19 0.11 0.09 0.00 0.00 178.44 179.03 1umx h LYS 110 N -0.31 0.00 -0.69 1.13 1.57 -1.97 0.44 116.57 116.74 1umx h LYS 110 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1umx h LYS 110 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1umx h LYS 110 CO -0.36 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 178.91 1umx n GLU 111 N -2.88 3.48 0.00 3.15 -0.58 0.63 -4.88 120.64 119.56 1umx n GLU 111 Ca -0.02 -2.85 0.00 0.00 -0.42 0.00 0.00 57.16 53.87 1umx n GLU 111 Cb 0.25 -1.82 0.00 0.00 -0.57 0.00 0.00 31.44 29.30 1umx n GLU 111 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1umx n GLY 112 N 1.33 1.03 0.28 0.62 0.00 0.15 -3.65 105.19 104.94 1umx n GLY 112 Ca 0.26 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.31 1umx n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1umx h GLY 113 N 0.00 1.13 0.53 -0.02 0.00 0.37 -0.60 103.07 104.48 1umx h GLY 113 Ca 0.00 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.15 1umx h GLY 113 CO 0.00 0.04 -0.09 1.41 0.00 0.00 0.00 176.54 177.90 1umx h LEU 114 N 0.60 -0.29 -0.74 3.11 3.38 -1.79 -0.67 115.31 118.91 1umx h LEU 114 Ca 0.38 0.07 0.17 0.00 0.09 0.00 0.00 57.88 58.59 1umx h LEU 114 Cb 0.43 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 41.22 1umx h LEU 114 CO -0.29 -0.12 0.08 -0.25 0.09 0.00 0.00 178.44 177.95 1umx h TRP 115 N -0.07 0.08 -0.49 1.13 7.01 -1.40 0.80 115.95 123.01 1umx h TRP 115 Ca 0.10 0.05 -0.09 0.00 2.11 0.00 0.00 58.89 61.06 1umx h TRP 115 Cb 0.22 0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 1umx h TRP 115 CO -0.24 -0.19 -0.06 -0.07 -2.79 0.00 0.00 178.44 175.10 1umx h LEU 116 N 0.16 0.84 0.67 0.65 3.38 -0.94 0.09 115.31 120.17 1umx h LEU 116 Ca 0.42 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1umx h LEU 116 Cb 0.73 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1umx h LEU 116 CO -0.60 0.94 -0.32 0.40 0.09 0.00 0.00 178.44 178.95 1umx h ILE 117 N 0.79 0.27 -0.72 1.22 2.04 0.20 -0.52 117.51 120.79 1umx h ILE 117 Ca 0.14 -0.18 0.14 0.00 1.00 0.00 0.00 64.86 65.96 1umx h ILE 117 Cb 0.55 0.32 -0.10 0.00 -0.74 0.00 0.00 36.82 36.85 1umx h ILE 117 CO 0.03 0.02 0.23 0.00 0.00 0.00 0.00 178.15 178.43 1umx h ALA 118 N -0.79 0.96 0.03 1.87 0.00 -0.67 -1.33 119.26 119.32 1umx h ALA 118 Ca -0.09 0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1umx h ALA 118 Cb 0.72 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1umx h ALA 118 CO 0.15 -0.26 -0.16 0.77 0.00 0.00 0.00 179.25 179.74 1umx h SER 119 N 0.36 -0.47 -0.64 0.00 0.02 -0.70 0.67 113.55 112.78 1umx h SER 119 Ca 0.39 0.07 0.11 0.00 -0.84 0.00 0.00 61.79 61.52 1umx h SER 119 Cb 0.61 0.19 -0.12 0.00 0.14 0.00 0.00 62.40 63.23 1umx h SER 119 CO -0.43 -0.23 -0.31 0.15 -1.14 0.00 0.00 176.83 174.87 1umx h PHE 120 N -0.29 -0.85 -0.69 3.45 3.57 -0.04 0.63 116.94 122.72 1umx h PHE 120 Ca 0.04 0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1umx h PHE 120 Cb 0.34 0.47 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 1umx h PHE 120 CO -0.20 -0.37 0.44 0.74 -2.23 0.00 0.00 178.31 176.69 1umx h PHE 121 N -0.12 0.83 -0.73 0.41 0.04 -0.51 -1.83 116.94 115.04 1umx h PHE 121 Ca 0.26 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 61.00 1umx h PHE 121 Cb 0.55 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.39 1umx h PHE 121 CO -0.65 0.50 0.27 1.98 -0.60 0.00 0.00 178.31 179.82 1umx h MET 122 N 0.88 1.10 0.18 1.51 1.85 0.20 0.35 114.93 121.01 1umx h MET 122 Ca 0.27 -0.21 0.01 0.00 -0.61 0.00 0.00 59.70 59.16 1umx h MET 122 Cb -0.04 -0.17 -0.04 0.00 0.43 0.00 0.00 31.60 31.78 1umx h MET 122 CO -0.08 0.92 -0.38 0.35 -0.40 0.00 0.00 176.91 177.31 1umx h PHE 123 N 1.05 -1.06 -0.58 1.39 3.57 0.85 -0.32 116.94 121.85 1umx h PHE 123 Ca 0.24 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 1umx h PHE 123 Cb 0.24 0.44 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1umx h PHE 123 CO 0.02 -0.50 0.15 -0.39 -2.23 0.00 0.00 178.31 175.36 1umx h VAL 124 N -0.65 1.25 -0.65 1.41 -1.51 -1.26 -2.28 116.25 112.56 1umx h VAL 124 Ca 0.01 -0.88 0.13 0.00 -1.23 0.00 0.00 66.70 64.74 1umx h VAL 124 Cb 0.66 0.71 -0.10 0.00 -2.13 0.00 0.00 31.29 30.43 1umx h VAL 124 CO -0.19 0.33 0.11 0.00 -1.23 0.00 0.00 177.57 176.59 1umx h ALA 125 N 1.03 0.76 0.08 5.19 0.00 -0.52 -0.46 119.26 125.34 1umx h ALA 125 Ca 0.18 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1umx h ALA 125 Cb 0.33 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1umx h ALA 125 CO 0.00 -0.34 -0.04 0.28 0.00 0.00 0.00 179.25 179.15 1umx h VAL 126 N 0.23 1.18 -0.58 0.00 2.07 -0.64 -1.75 116.25 116.76 1umx h VAL 126 Ca 0.35 -1.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 1umx h VAL 126 Cb 0.55 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1umx h VAL 126 CO -0.47 0.29 0.05 -0.50 0.02 0.00 0.00 177.57 176.96 1umx h TRP 127 N -0.71 1.02 -0.56 1.57 4.06 -1.35 0.28 115.95 120.26 1umx h TRP 127 Ca -0.01 -0.14 0.02 0.00 2.06 0.00 0.00 58.89 60.81 1umx h TRP 127 Cb 0.56 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 28.41 1umx h TRP 127 CO 0.11 0.89 0.35 0.66 -3.56 0.00 0.00 178.44 176.89 1umx h SER 128 N 0.90 0.59 0.09 -3.49 4.64 -1.10 0.25 113.55 115.42 1umx h SER 128 Ca 0.17 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 1umx h SER 128 Cb 0.45 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1umx h SER 128 CO 0.02 0.42 -0.14 -0.25 -0.87 0.00 0.00 176.83 176.01 1umx h TRP 129 N 0.71 0.12 0.30 4.77 2.91 -0.35 -1.82 115.95 122.59 1umx h TRP 129 Ca 0.22 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.21 1umx h TRP 129 Cb -0.03 -0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 28.59 1umx h TRP 129 CO -0.05 0.26 -0.16 2.35 -1.03 0.00 0.00 178.44 179.80 1umx h TRP 130 N 0.11 -0.43 -0.75 2.65 7.01 0.28 -1.34 115.95 123.48 1umx h TRP 130 Ca 0.02 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.03 1umx h TRP 130 Cb 0.32 0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.49 1umx h TRP 130 CO 0.00 -0.26 0.50 0.78 -2.79 0.00 0.00 178.44 176.67 1umx h GLY 131 N -0.44 1.06 0.87 2.65 0.00 -0.74 0.21 103.07 106.69 1umx h GLY 131 Ca -0.04 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 46.93 1umx h GLY 131 CO 0.05 0.38 0.29 -0.09 0.00 0.00 0.00 176.54 177.17 1umx h ARG 132 N 1.01 0.57 -0.74 4.80 2.43 -1.22 0.31 114.38 121.54 1umx h ARG 132 Ca 0.28 -0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.55 1umx h ARG 132 Cb -0.10 -0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 29.23 1umx h ARG 132 CO -0.06 0.38 0.30 0.00 -1.51 0.00 0.00 179.97 179.07 1umx h THR 133 N 0.58 0.68 0.48 0.20 1.03 0.59 0.98 112.91 117.45 1umx h THR 133 Ca 0.20 -0.15 -0.02 0.00 -0.01 0.00 0.00 66.41 66.42 1umx h THR 133 Cb 0.03 0.19 0.00 0.00 -1.07 0.00 0.00 68.15 67.30 1umx h THR 133 CO -0.09 0.08 -0.23 0.22 -0.01 0.00 0.00 175.52 175.49 1umx h TYR 134 N 0.45 -0.59 -0.59 0.00 5.03 -0.91 -3.25 116.97 117.10 1umx h TYR 134 Ca 0.40 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.82 1umx h TYR 134 Cb 0.59 0.20 -0.11 0.00 1.55 0.00 0.00 36.73 38.96 1umx h TYR 134 CO -0.16 -0.27 -0.06 -0.07 -1.32 0.00 0.00 178.16 176.27 1umx h LEU 135 N -1.00 -0.38 -2.50 2.82 3.38 -0.06 0.16 115.31 117.72 1umx h LEU 135 Ca -0.07 0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1umx h LEU 135 Cb 0.59 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1umx h LEU 135 CO 0.11 -0.15 0.03 0.03 0.09 0.00 0.00 178.44 178.55 1umx h ARG 136 N 0.06 0.00 0.00 1.13 -0.00 -0.91 -0.80 114.38 113.87 1umx h ARG 136 Ca 0.30 0.00 -0.18 0.00 -0.50 0.00 0.00 59.98 59.60 1umx h ARG 136 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.42 1umx h ARG 136 CO -0.55 0.00 -1.08 0.00 0.00 0.00 0.00 179.97 178.34 1umx h ALA 137 N 1.97 0.59 -0.38 0.04 0.00 -0.75 -3.32 119.26 117.41 1umx h ALA 137 Ca 0.01 -0.86 -0.11 0.00 0.00 0.00 0.00 54.91 53.95 1umx h ALA 137 Cb 0.06 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1umx h ALA 137 CO -0.00 1.04 -0.20 0.37 0.00 0.00 0.00 179.25 180.47 1umx h GLN 138 N 0.00 0.80 -0.73 0.00 4.15 -0.13 0.03 115.11 119.23 1umx h GLN 138 Ca -0.09 -0.35 0.02 0.00 0.77 0.00 0.00 58.65 59.00 1umx h GLN 138 Cb 1.65 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 29.28 1umx h GLN 138 CO 0.08 0.98 0.46 0.00 -1.93 0.00 0.00 178.83 178.43 1umx h ALA 139 N 0.80 0.95 -0.00 3.38 0.00 -1.61 -0.60 119.26 122.17 1umx h ALA 139 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1umx h ALA 139 Cb 0.75 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1umx h ALA 139 CO 0.06 0.27 -0.07 1.28 0.00 0.00 0.00 179.25 180.79 1umx n LEU 140 N -4.63 0.48 -1.56 0.00 4.77 -1.05 -2.71 117.00 112.30 1umx n LEU 140 Ca 0.08 -0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 1umx n LEU 140 Cb 0.07 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1umx n LEU 140 CO 0.34 0.09 0.01 0.61 -1.33 0.00 0.00 177.39 177.10 1umx n GLY 141 N 1.21 0.13 3.96 -0.72 0.00 -0.23 -4.95 105.19 104.58 1umx n GLY 141 Ca 0.17 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 1umx n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1umx s MET 142 N -5.10 3.30 1.17 1.61 1.00 -0.13 -5.03 119.30 116.11 1umx s MET 142 Ca 0.15 -0.86 -0.15 0.00 0.00 0.00 0.00 55.69 54.83 1umx s MET 142 Cb -0.07 -2.83 0.27 0.00 0.00 0.00 0.00 34.83 32.21 1umx s MET 142 CO 0.19 0.33 1.04 0.20 0.00 0.00 0.00 175.02 176.78 1umx s GLY 143 N -4.01 1.53 -0.31 -0.03 0.00 -1.26 -4.63 107.32 98.61 1umx s GLY 143 Ca 0.37 -0.44 0.11 0.00 0.00 0.00 0.00 44.72 44.75 1umx s GLY 143 CO 0.29 0.32 1.78 0.28 0.00 0.00 0.00 173.10 175.77 1umx n LYS 144 N -4.80 3.79 -0.20 2.90 4.76 -1.26 -4.64 118.16 118.72 1umx n LYS 144 Ca 0.06 -3.10 -0.02 0.00 -2.87 0.00 0.00 58.31 52.38 1umx n LYS 144 Cb 0.57 -2.20 0.05 0.00 -1.84 0.00 0.00 35.03 31.61 1umx n LYS 144 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1umx h HIS 145 N 2.75 -0.45 -0.12 2.13 3.86 -1.99 0.38 115.15 121.72 1umx h HIS 145 Ca 0.22 0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.46 1umx h HIS 145 Cb 2.25 0.29 -0.01 0.00 1.06 0.00 0.00 27.41 31.00 1umx h HIS 145 CO 1.23 -0.29 -0.05 1.15 0.86 0.00 0.00 177.93 180.83 1umx h THR 146 N -0.04 1.11 0.03 2.45 2.02 -1.94 0.11 112.91 116.65 1umx h THR 146 Ca 0.28 -0.47 -0.22 0.00 0.77 0.00 0.00 66.41 66.77 1umx h THR 146 Cb 0.47 1.09 0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1umx h THR 146 CO -0.63 0.15 -0.87 0.00 0.37 0.00 0.00 175.52 174.54 1umx h ALA 147 N 1.79 0.06 -0.44 6.16 0.00 -1.28 -1.13 119.26 124.42 1umx h ALA 147 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1umx h ALA 147 Cb 0.21 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1umx h ALA 147 CO 0.01 0.51 0.28 -1.49 0.00 0.00 0.00 179.25 178.56 1umx h TRP 148 N 0.09 0.57 -0.36 0.00 -0.00 -0.58 -1.45 115.95 114.21 1umx h TRP 148 Ca -0.12 0.01 -0.06 0.00 -0.00 0.00 0.00 58.89 58.72 1umx h TRP 148 Cb 1.56 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.16 30.52 1umx h TRP 148 CO 0.13 0.38 -0.03 0.00 -0.00 0.00 0.00 178.44 178.93 1umx h ALA 149 N 1.14 1.28 0.00 1.49 0.00 -0.75 -2.52 119.26 119.90 1umx h ALA 149 Ca 0.16 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1umx h ALA 149 Cb -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1umx h ALA 149 CO -0.03 0.48 -0.22 0.35 0.00 0.00 0.00 179.25 179.83 1umx h PHE 150 N 0.55 0.00 -0.39 0.00 3.57 -0.63 -2.66 116.94 117.38 1umx h PHE 150 Ca 0.11 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1umx h PHE 150 Cb 0.39 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1umx h PHE 150 CO 0.02 0.22 0.24 1.25 -2.23 0.00 0.00 178.31 177.81 1umx h LEU 151 N 0.00 0.46 -0.76 0.59 5.85 -0.82 -1.81 115.31 118.82 1umx h LEU 151 Ca -0.00 -0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.83 1umx h LEU 151 Cb 0.78 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.60 1umx h LEU 151 CO 0.03 0.36 0.28 -1.28 -0.34 0.00 0.00 178.44 177.50 1umx h SER 152 N 0.52 0.23 -0.01 1.25 0.87 -1.50 0.54 113.55 115.45 1umx h SER 152 Ca 0.14 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1umx h SER 152 Cb -0.02 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1umx h SER 152 CO -0.03 0.07 0.00 0.00 -0.53 0.00 0.00 176.83 176.35 1umx h ALA 153 N 1.56 0.01 -0.89 6.23 0.00 -1.50 -2.84 119.26 121.83 1umx h ALA 153 Ca 0.42 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.41 1umx h ALA 153 Cb 0.66 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.33 1umx h ALA 153 CO -0.43 -0.36 0.39 0.82 0.00 0.00 0.00 179.25 179.67 1umx h ILE 154 N -0.25 0.49 -0.11 0.00 2.04 -0.37 -2.74 117.51 116.58 1umx h ILE 154 Ca 0.00 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.74 1umx h ILE 154 Cb 0.26 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1umx h ILE 154 CO 0.00 0.07 -0.26 -0.25 0.00 0.00 0.00 178.15 177.71 1umx h TRP 155 N 0.41 -0.78 -0.66 1.37 2.91 0.28 0.61 115.95 120.08 1umx h TRP 155 Ca 0.55 0.03 0.11 0.00 1.13 0.00 0.00 58.89 60.71 1umx h TRP 155 Cb 1.03 0.36 -0.12 0.00 -0.51 0.00 0.00 29.16 29.92 1umx h TRP 155 CO -0.14 -0.25 -0.39 1.25 -1.03 0.00 0.00 178.44 177.89 1umx h LEU 156 N -0.25 -1.35 -0.02 0.65 5.85 -1.52 0.25 115.31 118.92 1umx h LEU 156 Ca 0.02 0.25 0.03 0.00 0.84 0.00 0.00 57.88 59.02 1umx h LEU 156 Cb 0.31 0.65 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 1umx h LEU 156 CO -0.23 -0.31 -0.20 -0.25 -0.34 0.00 0.00 178.44 177.11 1umx h TRP 157 N -0.16 -0.52 -0.75 1.25 7.01 -1.18 -0.16 115.95 121.44 1umx h TRP 157 Ca 0.23 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.32 1umx h TRP 157 Cb 0.56 0.23 -0.05 0.00 -2.10 0.00 0.00 29.16 27.80 1umx h TRP 157 CO -0.71 -0.28 0.49 0.52 -2.79 0.00 0.00 178.44 175.68 1umx h MET 158 N -0.31 0.75 -0.24 2.65 2.86 0.12 -2.31 114.93 118.45 1umx h MET 158 Ca 0.06 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 1umx h MET 158 Cb 0.39 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1umx h MET 158 CO -0.20 0.50 -0.27 0.28 1.06 0.00 0.00 176.91 178.28 1umx h VAL 159 N 0.77 1.32 0.00 -2.22 2.07 0.28 0.35 116.25 118.82 1umx h VAL 159 Ca 0.33 -1.45 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 1umx h VAL 159 Cb 0.29 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1umx h VAL 159 CO -0.11 0.45 -0.21 -0.07 0.02 0.00 0.00 177.57 177.65 1umx h LEU 160 N 0.31 0.00 -0.29 2.57 3.38 -0.51 -2.13 115.31 118.65 1umx h LEU 160 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1umx h LEU 160 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1umx h LEU 160 CO 0.07 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.42 1umx n GLY 161 N -0.70 0.27 1.55 0.83 0.00 -1.04 -4.15 105.19 101.96 1umx n GLY 161 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1umx n GLY 161 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1umx n PHE 162 N -0.35 -0.37 0.44 1.61 7.35 -0.74 -4.78 117.46 120.62 1umx n PHE 162 Ca 0.00 0.07 -0.19 0.00 -0.76 0.00 0.00 57.45 56.56 1umx n PHE 162 Cb 0.04 0.29 -0.09 0.00 0.35 0.00 0.00 39.48 40.07 1umx n PHE 162 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1umx h ILE 163 N 0.00 0.17 -0.04 -2.13 2.04 -1.04 -1.46 117.51 115.06 1umx h ILE 163 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1umx h ILE 163 Cb 0.00 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 1umx h ILE 163 CO 0.00 0.00 -0.16 -0.09 0.00 0.00 0.00 178.15 177.90 1umx h ARG 164 N -1.11 -0.24 -0.71 2.37 2.43 -1.62 -0.01 114.38 115.49 1umx h ARG 164 Ca -0.11 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.23 1umx h ARG 164 Cb 0.86 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 30.36 1umx h ARG 164 CO 0.17 -0.16 0.15 -1.35 -1.51 0.00 0.00 179.97 177.27 1umx h PRO 165 N -0.25 0.24 -0.43 0.20 0.11 -1.78 0.78 132.00 130.88 1umx h PRO 165 Ca 0.07 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.17 1umx h PRO 165 Cb 0.33 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 1umx h PRO 165 CO -0.18 0.16 0.28 0.82 -0.21 0.00 0.00 178.00 178.87 1umx h ILE 166 N 0.25 1.10 0.00 4.15 5.03 0.08 -1.11 117.51 127.01 1umx h ILE 166 Ca 0.39 -0.20 0.00 0.00 -0.12 0.00 0.00 64.86 64.94 1umx h ILE 166 Cb 0.66 0.48 0.00 0.00 -3.03 0.00 0.00 36.82 34.93 1umx h ILE 166 CO -0.50 0.10 0.00 0.18 -0.68 0.00 0.00 178.15 177.25 1umx n LEU 167 N -4.80 0.25 0.04 1.44 4.77 -0.51 -2.68 117.00 115.52 1umx n LEU 167 Ca 0.01 0.54 0.11 0.00 -0.03 0.00 0.00 56.01 56.65 1umx n LEU 167 Cb 0.03 -0.49 -0.09 0.00 -2.33 0.00 0.00 43.42 40.54 1umx n LEU 167 CO 0.34 -0.22 -0.38 0.23 -1.33 0.00 0.00 177.39 176.03 1umx n MET 168 N -1.75 0.61 0.00 3.23 2.81 0.19 -4.97 117.12 117.24 1umx n MET 168 Ca 0.05 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1umx n MET 168 Cb 0.27 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 1umx n MET 168 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1umx n GLY 169 N 1.23 0.60 3.62 3.03 0.00 -0.77 -5.08 105.19 107.82 1umx n GLY 169 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1umx n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1umx s SER 170 N -2.62 -0.49 0.18 1.61 1.04 -1.05 -3.23 113.70 109.14 1umx s SER 170 Ca 0.00 0.88 0.10 0.00 0.48 0.00 0.00 55.95 57.41 1umx s SER 170 Cb 0.00 0.87 0.52 0.00 0.10 0.00 0.00 66.02 67.52 1umx s SER 170 CO 0.00 -0.21 1.23 0.79 0.98 0.00 0.00 173.24 176.03 1umx n TRP 171 N 2.04 0.33 0.60 5.02 5.03 -1.13 -1.53 117.44 127.79 1umx n TRP 171 Ca -0.13 0.17 0.10 0.00 3.03 0.00 0.00 57.50 60.67 1umx n TRP 171 Cb 0.56 -0.68 0.41 0.00 -1.03 0.00 0.00 31.31 30.57 1umx n TRP 171 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53 1umx n SER 172 N -1.82 0.14 0.18 -0.99 3.41 -1.24 -1.47 113.62 111.83 1umx n SER 172 Ca -0.01 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 1umx n SER 172 Cb 0.14 -0.56 0.33 0.00 -0.26 0.00 0.00 64.21 63.86 1umx n SER 172 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1umx h GLU 173 N 0.00 0.00 -7.58 4.33 4.39 -1.61 -3.47 114.58 110.63 1umx h GLU 173 Ca 0.00 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.26 1umx h GLU 173 Cb 0.35 0.00 0.17 0.00 -0.10 0.00 0.00 28.75 29.16 1umx h GLU 173 CO 0.00 0.00 0.28 0.00 -1.16 0.00 0.00 179.01 178.13 1umx s ALA 174 N -3.23 1.50 0.03 3.43 0.00 -0.54 -4.88 121.76 118.07 1umx s ALA 174 Ca 0.07 -0.95 -0.18 0.00 0.00 0.00 0.00 51.96 50.90 1umx s ALA 174 Cb 0.08 -2.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.26 1umx s ALA 174 CO 0.61 -2.84 0.53 0.08 0.00 0.00 0.00 175.76 174.14 1umx s VAL 175 N -3.41 4.86 0.53 0.00 1.01 -1.26 -4.84 120.40 117.29 1umx s VAL 175 Ca 0.70 1.12 -0.15 0.00 0.00 0.00 0.00 61.98 63.65 1umx s VAL 175 Cb -0.09 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 1umx s VAL 175 CO 0.54 0.53 0.98 -2.16 0.00 0.00 0.00 175.10 174.99 1umx s PRO 176 N -0.87 3.88 -0.54 2.72 0.04 -1.26 -4.76 135.00 134.20 1umx s PRO 176 Ca 0.28 0.89 -0.21 0.00 0.04 0.00 0.00 61.00 62.00 1umx s PRO 176 Cb -0.18 -2.14 0.06 0.00 0.04 0.00 0.00 34.50 32.27 1umx s PRO 176 CO 0.17 -0.31 0.77 0.71 0.04 0.00 0.00 177.00 178.38 1umx s TYR 177 N -2.71 2.92 -0.25 0.56 2.02 -0.27 -4.46 117.35 115.17 1umx s TYR 177 Ca 0.58 -0.39 -0.28 0.00 -0.37 0.00 0.00 57.07 56.61 1umx s TYR 177 Cb -0.10 -3.82 0.16 0.00 -0.40 0.00 0.00 41.96 37.80 1umx s TYR 177 CO 0.35 -1.21 1.19 0.20 -1.57 0.00 0.00 175.55 174.51 1umx s GLY 178 N 2.89 -0.01 0.00 0.71 0.00 -1.26 -1.18 107.32 108.47 1umx s GLY 178 Ca 0.21 2.71 -0.03 0.00 0.00 0.00 0.00 44.72 47.61 1umx s GLY 178 CO 0.14 1.44 0.93 -2.22 0.00 0.00 0.00 173.10 173.38 1umx h ILE 179 N 2.79 0.00 0.00 0.90 5.03 -1.79 -2.55 117.51 121.89 1umx h ILE 179 Ca -0.20 -0.01 -0.05 0.00 -0.12 0.00 0.00 64.86 64.48 1umx h ILE 179 Cb 1.18 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.96 1umx h ILE 179 CO 0.21 0.00 -0.22 -0.26 -0.68 0.00 0.00 178.15 177.20 1umx h PHE 180 N -0.11 0.00 0.00 1.37 0.04 -1.66 -3.15 116.94 113.43 1umx h PHE 180 Ca -0.01 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.63 1umx h PHE 180 Cb 0.08 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 1umx h PHE 180 CO 0.19 0.22 -0.60 0.66 -0.60 0.00 0.00 178.31 178.18 1umx h SER 181 N 0.00 0.00 0.93 2.17 4.64 -1.77 -1.96 113.55 117.56 1umx h SER 181 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1umx h SER 181 Cb 0.42 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1umx h SER 181 CO 0.03 0.60 -0.67 1.12 -0.87 0.00 0.00 176.83 177.04 1umx h HIS 182 N 0.00 0.00 0.39 4.77 2.07 -1.41 0.98 115.15 121.94 1umx h HIS 182 Ca -0.01 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.50 1umx h HIS 182 Cb 1.22 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.19 1umx h HIS 182 CO 0.00 0.67 -0.25 -0.07 -3.07 0.00 0.00 177.93 175.22 1umx h LEU 183 N 0.00 -0.62 -0.29 6.12 3.38 -1.49 -1.23 115.31 121.19 1umx h LEU 183 Ca -0.01 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1umx h LEU 183 Cb 1.32 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 42.21 1umx h LEU 183 CO 0.09 -0.39 -0.03 0.44 0.09 0.00 0.00 178.44 178.64 1umx h ASP 184 N -0.61 -0.17 -0.48 -0.43 3.32 -1.04 -0.63 116.42 116.39 1umx h ASP 184 Ca -0.04 0.07 0.10 0.00 0.02 0.00 0.00 57.03 57.18 1umx h ASP 184 Cb 0.51 0.14 -0.09 0.00 0.22 0.00 0.00 39.33 40.10 1umx h ASP 184 CO 0.04 -0.05 -0.13 -0.25 -1.72 0.00 0.00 179.24 177.12 1umx h TRP 185 N 0.05 -0.29 -0.21 4.55 7.01 -0.68 0.82 115.95 127.19 1umx h TRP 185 Ca 0.14 0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.24 1umx h TRP 185 Cb 0.19 0.20 -0.07 0.00 -2.10 0.00 0.00 29.16 27.39 1umx h TRP 185 CO -0.24 -0.22 -0.27 1.15 -2.79 0.00 0.00 178.44 176.07 1umx h THR 186 N -0.02 0.35 -0.48 2.65 2.02 0.11 0.25 112.91 117.79 1umx h THR 186 Ca 0.23 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.44 1umx h THR 186 Cb 0.37 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1umx h THR 186 CO -0.50 0.00 0.27 -1.13 0.37 0.00 0.00 175.52 174.53 1umx h ASN 187 N -0.29 0.41 -0.92 4.18 -1.24 -0.46 -1.87 115.58 115.39 1umx h ASN 187 Ca 0.12 0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.16 1umx h ASN 187 Cb 0.49 -0.07 -0.05 0.00 0.73 0.00 0.00 38.32 39.42 1umx h ASN 187 CO -0.38 0.29 0.60 -1.13 -1.29 0.00 0.00 177.43 175.52 1umx h ASN 188 N 0.53 1.06 -0.86 1.15 -0.73 -0.13 -2.06 115.58 114.54 1umx h ASN 188 Ca 0.20 -0.03 0.03 0.00 1.87 0.00 0.00 56.30 58.37 1umx h ASN 188 Cb 0.06 -0.27 -0.05 0.00 0.27 0.00 0.00 38.32 38.33 1umx h ASN 188 CO -0.11 0.78 0.57 0.15 -0.37 0.00 0.00 177.43 178.44 1umx h PHE 189 N 1.25 1.04 -0.24 0.67 3.04 0.31 -2.28 116.94 120.74 1umx h PHE 189 Ca 0.34 0.03 -0.20 0.00 3.98 0.00 0.00 57.97 62.11 1umx h PHE 189 Cb -0.13 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.04 1umx h PHE 189 CO -0.01 0.60 -0.64 1.03 -2.02 0.00 0.00 178.31 177.28 1umx h SER 190 N 1.07 0.97 -0.85 0.41 0.87 -1.22 -3.06 113.55 111.75 1umx h SER 190 Ca 0.34 -0.57 -0.02 0.00 -1.23 0.00 0.00 61.79 60.31 1umx h SER 190 Cb 0.02 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.66 1umx h SER 190 CO -0.10 1.37 0.43 -0.07 -0.53 0.00 0.00 176.83 177.93 1umx h LEU 191 N 0.63 1.08 0.00 2.23 3.38 -0.94 0.27 115.31 121.97 1umx h LEU 191 Ca -0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1umx h LEU 191 Cb 1.26 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1umx h LEU 191 CO 0.14 0.90 0.00 0.52 0.09 0.00 0.00 178.44 180.08 1umx n VAL 192 N -4.34 0.03 -0.46 1.22 0.31 -0.91 -3.06 118.33 111.12 1umx n VAL 192 Ca 0.08 0.01 0.02 0.00 -0.01 0.00 0.00 64.34 64.44 1umx n VAL 192 Cb 0.12 -0.53 0.02 0.00 -0.91 0.00 0.00 33.84 32.54 1umx n VAL 192 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1umx n HIS 193 N -1.14 0.00 -1.05 3.52 8.25 -0.69 -4.87 115.22 119.24 1umx n HIS 193 Ca 0.18 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.18 1umx n HIS 193 Cb 0.17 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1umx n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1umx n GLY 194 N -0.54 0.71 1.36 -1.41 0.00 -0.88 0.76 105.19 105.20 1umx n GLY 194 Ca 0.03 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1umx n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1umx n ASN 195 N 1.41 -1.84 0.33 1.61 2.85 0.88 -3.03 115.26 117.47 1umx n ASN 195 Ca 0.00 0.00 0.20 0.00 -0.11 0.00 0.00 54.58 54.67 1umx n ASN 195 Cb 0.17 -0.92 1.05 0.00 1.24 0.00 0.00 39.78 41.32 1umx n ASN 195 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1umx h LEU 196 N 0.00 0.00 -0.10 1.20 4.07 -1.85 0.97 115.31 119.60 1umx h LEU 196 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1umx h LEU 196 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1umx h LEU 196 CO 0.00 0.00 0.09 0.49 -1.08 0.00 0.00 178.44 177.94 1umx n PHE 197 N -3.06 0.05 1.05 1.13 3.72 -1.26 -0.19 117.46 118.90 1umx n PHE 197 Ca -0.02 0.03 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 1umx n PHE 197 Cb 0.20 -0.45 0.13 0.00 -0.94 0.00 0.00 39.48 38.42 1umx n PHE 197 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1umx n TYR 198 N -1.48 0.00 -2.75 1.38 4.01 0.33 -4.86 117.16 113.80 1umx n TYR 198 Ca -0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1umx n TYR 198 Cb 0.10 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.09 1umx n TYR 198 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1umx s ASN 199 N -2.08 6.66 0.30 7.72 3.04 0.74 -4.82 114.94 126.49 1umx s ASN 199 Ca 0.27 0.51 -0.01 0.00 0.04 0.00 0.00 52.86 53.67 1umx s ASN 199 Cb 0.20 -2.49 0.47 0.00 -1.54 0.00 0.00 41.25 37.89 1umx s ASN 199 CO 0.35 -0.98 1.96 1.55 -3.04 0.00 0.00 177.10 176.93 1umx h PRO 200 N 8.71 1.06 -0.50 0.43 0.13 -1.89 -1.39 132.00 138.56 1umx h PRO 200 Ca -0.23 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1umx h PRO 200 Cb 1.07 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 1umx h PRO 200 CO 1.03 0.70 0.21 0.74 -0.23 0.00 0.00 178.00 180.45 1umx h PHE 201 N 1.09 0.75 -1.07 1.56 0.04 -1.91 -2.44 116.94 114.96 1umx h PHE 201 Ca 0.32 -0.05 0.29 0.00 2.80 0.00 0.00 57.97 61.33 1umx h PHE 201 Cb -0.04 -0.23 -0.10 0.00 2.20 0.00 0.00 35.95 37.78 1umx h PHE 201 CO -0.00 0.62 0.69 1.25 -0.60 0.00 0.00 178.31 180.27 1umx h HIS 202 N 0.66 0.63 0.00 -0.55 2.76 -1.56 0.22 115.15 117.31 1umx h HIS 202 Ca 0.17 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1umx h HIS 202 Cb 0.18 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1umx h HIS 202 CO 0.00 0.02 -1.02 0.41 -1.30 0.00 0.00 177.93 176.05 1umx n GLY 203 N -1.48 -1.11 0.11 5.26 0.00 -1.02 -1.99 105.19 104.95 1umx n GLY 203 Ca 0.27 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 1umx n GLY 203 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1umx h LEU 204 N 0.00 0.35 -0.71 0.99 5.85 -0.53 -3.08 115.31 118.18 1umx h LEU 204 Ca 0.00 -0.90 0.15 0.00 0.84 0.00 0.00 57.88 57.97 1umx h LEU 204 Cb 0.63 -0.11 -0.13 0.00 0.37 0.00 0.00 40.66 41.41 1umx h LEU 204 CO 0.00 1.42 -0.10 0.28 -0.34 0.00 0.00 178.44 179.70 1umx h SER 205 N -0.47 -0.52 -0.95 1.25 0.02 -0.54 0.73 113.55 113.07 1umx h SER 205 Ca -0.19 0.20 0.13 0.00 -0.84 0.00 0.00 61.79 61.09 1umx h SER 205 Cb 1.58 0.39 -0.09 0.00 0.14 0.00 0.00 62.40 64.42 1umx h SER 205 CO 0.08 -0.21 0.57 0.40 -1.14 0.00 0.00 176.83 176.53 1umx h ILE 206 N 0.04 0.85 -0.42 3.27 5.03 -1.38 -0.74 117.51 124.16 1umx h ILE 206 Ca 0.36 -0.30 -0.02 0.00 -0.12 0.00 0.00 64.86 64.78 1umx h ILE 206 Cb 0.58 -0.09 -0.02 0.00 -3.03 0.00 0.00 36.82 34.27 1umx h ILE 206 CO -0.69 0.16 0.18 0.00 -0.68 0.00 0.00 178.15 177.13 1umx h ALA 207 N 1.54 0.55 -0.18 1.87 0.00 -0.82 0.79 119.26 123.01 1umx h ALA 207 Ca 0.49 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 1umx h ALA 207 Cb 0.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1umx h ALA 207 CO -0.30 0.13 -0.48 0.74 0.00 0.00 0.00 179.25 179.34 1umx h PHE 208 N 0.54 0.57 -0.27 0.00 0.04 -0.24 0.52 116.94 118.10 1umx h PHE 208 Ca 0.14 -0.18 -0.12 0.00 2.80 0.00 0.00 57.97 60.61 1umx h PHE 208 Cb 0.16 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 1umx h PHE 208 CO -0.00 0.86 -0.28 1.25 -0.60 0.00 0.00 178.31 179.54 1umx h LEU 209 N 0.37 0.72 -0.98 1.54 5.85 -0.51 0.44 115.31 122.74 1umx h LEU 209 Ca 0.02 -0.48 -0.08 0.00 0.84 0.00 0.00 57.88 58.18 1umx h LEU 209 Cb 0.99 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1umx h LEU 209 CO 0.09 1.05 -0.16 1.88 -0.34 0.00 0.00 178.44 180.96 1umx h TYR 210 N 0.40 0.60 -0.83 1.25 0.05 0.66 -2.75 116.97 116.36 1umx h TYR 210 Ca 0.04 -0.11 0.04 0.00 0.05 0.00 0.00 58.73 58.75 1umx h TYR 210 Cb 0.85 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 38.38 1umx h TYR 210 CO 0.07 0.69 0.53 0.78 -1.05 0.00 0.00 178.16 179.18 1umx h GLY 211 N 0.97 1.21 1.73 3.88 0.00 0.12 0.13 103.07 111.11 1umx h GLY 211 Ca 0.09 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.89 1umx h GLY 211 CO 0.04 0.34 -0.47 1.76 0.00 0.00 0.00 176.54 178.21 1umx h SER 212 N 1.03 0.31 -0.06 0.19 0.02 -0.03 0.47 113.55 115.47 1umx h SER 212 Ca 0.33 -0.15 -0.21 0.00 -0.84 0.00 0.00 61.79 60.93 1umx h SER 212 Cb 0.02 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.48 1umx h SER 212 CO -0.12 0.74 -0.75 0.00 -1.14 0.00 0.00 176.83 175.56 1umx h ALA 213 N 1.28 0.40 -0.50 3.77 0.00 -0.75 -1.95 119.26 121.50 1umx h ALA 213 Ca 0.01 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.26 1umx h ALA 213 Cb 0.92 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1umx h ALA 213 CO 0.08 0.70 0.06 1.25 0.00 0.00 0.00 179.25 181.33 1umx h LEU 214 N 0.49 0.81 -0.66 0.00 5.85 -0.34 -2.07 115.31 119.39 1umx h LEU 214 Ca -0.04 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.34 1umx h LEU 214 Cb 1.36 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1umx h LEU 214 CO 0.15 0.89 0.16 0.25 -0.34 0.00 0.00 178.44 179.54 1umx h LEU 215 N 0.71 1.01 -0.81 2.25 5.85 0.02 -0.87 115.31 123.47 1umx h LEU 215 Ca 0.15 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.51 1umx h LEU 215 Cb 0.43 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1umx h LEU 215 CO 0.01 0.98 -0.56 0.15 -0.34 0.00 0.00 178.44 178.69 1umx h PHE 216 N 0.99 0.14 -0.62 1.25 3.04 -1.19 0.31 116.94 120.86 1umx h PHE 216 Ca 0.21 -0.05 -0.07 0.00 3.98 0.00 0.00 57.97 62.04 1umx h PHE 216 Cb 0.37 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 1umx h PHE 216 CO 0.03 0.64 0.13 0.00 -2.02 0.00 0.00 178.31 177.09 1umx h ALA 217 N 1.35 0.82 0.04 2.41 0.00 -1.08 -0.64 119.26 122.15 1umx h ALA 217 Ca -0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1umx h ALA 217 Cb 1.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1umx h ALA 217 CO 0.08 0.55 -0.02 0.52 0.00 0.00 0.00 179.25 180.38 1umx h MET 218 N 0.92 -0.05 0.36 0.00 2.86 -0.47 -0.66 114.93 117.90 1umx h MET 218 Ca 0.19 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1umx h MET 218 Cb 0.39 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1umx h MET 218 CO 0.01 0.17 -0.18 1.25 1.06 0.00 0.00 176.91 179.22 1umx h HIS 219 N -0.26 -0.45 -0.27 -0.22 6.17 -0.26 -0.57 115.15 119.28 1umx h HIS 219 Ca -0.00 -0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.08 1umx h HIS 219 Cb 0.24 0.15 -0.02 0.00 2.52 0.00 0.00 27.41 30.30 1umx h HIS 219 CO -0.00 -0.16 0.13 0.78 0.71 0.00 0.00 177.93 179.39 1umx h GLY 220 N -0.72 0.36 1.81 5.26 0.00 -1.18 0.24 103.07 108.84 1umx h GLY 220 Ca -0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1umx h GLY 220 CO 0.08 0.07 -0.08 0.00 0.00 0.00 0.00 176.54 176.61 1umx h ALA 221 N 1.14 1.58 0.17 3.60 0.00 -1.05 -1.53 119.26 123.17 1umx h ALA 221 Ca 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1umx h ALA 221 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1umx h ALA 221 CO -0.08 0.31 -0.08 1.15 0.00 0.00 0.00 179.25 180.54 1umx h THR 222 N 0.23 0.96 -0.91 0.00 2.02 0.10 -0.96 112.91 114.36 1umx h THR 222 Ca 0.05 -0.76 0.10 0.00 0.77 0.00 0.00 66.41 66.57 1umx h THR 222 Cb 0.29 1.41 -0.08 0.00 -1.74 0.00 0.00 68.15 68.04 1umx h THR 222 CO 0.01 0.17 0.55 0.40 0.37 0.00 0.00 175.52 177.02 1umx h ILE 223 N -0.60 0.93 -0.70 3.11 1.08 -0.82 0.24 117.51 120.75 1umx h ILE 223 Ca -0.02 -0.31 -0.05 0.00 -0.39 0.00 0.00 64.86 64.09 1umx h ILE 223 Cb 0.45 -0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 34.12 1umx h ILE 223 CO 0.04 0.17 0.26 -0.07 -0.69 0.00 0.00 178.15 177.85 1umx h LEU 224 N 0.91 0.97 -1.64 1.44 3.38 -1.19 -1.51 115.31 117.67 1umx h LEU 224 Ca 0.44 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1umx h LEU 224 Cb 0.39 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1umx h LEU 224 CO -0.25 0.88 0.00 0.00 0.09 0.00 0.00 178.44 179.17 1umx h ALA 225 N 1.25 1.00 0.00 1.53 0.00 0.46 -2.42 119.26 121.08 1umx h ALA 225 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1umx h ALA 225 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1umx h ALA 225 CO -0.02 0.00 -0.04 1.33 0.00 0.00 0.00 179.25 180.52 1umx n VAL 226 N -2.79 1.26 1.01 0.00 0.24 -0.80 -4.60 118.33 112.65 1umx n VAL 226 Ca -0.00 -1.44 0.10 0.00 -2.04 0.00 0.00 64.34 60.96 1umx n VAL 226 Cb 0.20 0.19 0.52 0.00 -1.47 0.00 0.00 33.84 33.28 1umx n VAL 226 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1umx n SER 227 N -0.86 0.00 -0.25 -1.34 3.41 -0.59 -1.39 113.62 112.60 1umx n SER 227 Ca 0.07 -0.17 0.05 0.00 -0.26 0.00 0.00 58.87 58.57 1umx n SER 227 Cb 0.48 -0.20 0.24 0.00 -0.26 0.00 0.00 64.21 64.47 1umx n SER 227 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1umx n ARG 228 N -1.20 1.31 -0.42 4.33 1.85 -1.26 -2.66 116.66 118.60 1umx n ARG 228 Ca 0.11 -0.48 0.01 0.00 -1.00 0.00 0.00 57.85 56.49 1umx n ARG 228 Cb 0.13 -1.20 0.02 0.00 -1.05 0.00 0.00 32.46 30.35 1umx n ARG 228 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1umx n PHE 229 N -0.19 0.00 -0.64 2.89 3.01 -0.73 -5.00 117.46 116.80 1umx n PHE 229 Ca 0.09 -0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1umx n PHE 229 Cb 0.14 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 1umx n PHE 229 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1umx n GLY 230 N -0.16 0.69 0.34 1.37 0.00 -1.09 -4.42 105.19 101.92 1umx n GLY 230 Ca 0.02 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.24 1umx n GLY 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1umx h GLY 231 N 0.00 1.61 1.99 -0.02 0.00 -1.43 0.63 103.07 105.84 1umx h GLY 231 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1umx h GLY 231 CO 0.00 -0.62 0.00 -1.84 0.00 0.00 0.00 176.54 174.08 1umx n GLU 232 N -5.42 0.00 -2.01 4.80 0.00 -1.26 -3.76 120.64 113.00 1umx n GLU 232 Ca 0.28 0.44 -0.41 0.00 0.00 0.00 0.00 57.16 57.47 1umx n GLU 232 Cb 0.95 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.88 1umx n GLU 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1umx n ARG 233 N -1.49 3.82 -0.19 3.44 1.74 0.21 -4.77 116.66 119.41 1umx n ARG 233 Ca 0.01 -3.20 -0.07 0.00 -0.77 0.00 0.00 57.85 53.81 1umx n ARG 233 Cb 0.04 -2.87 0.08 0.00 -1.02 0.00 0.00 32.46 28.68 1umx n ARG 233 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1umx h GLU 234 N 5.34 1.01 -0.15 5.56 5.08 -1.84 -2.50 114.58 127.08 1umx h GLU 234 Ca 0.57 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1umx h GLU 234 Cb 0.49 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1umx h GLU 234 CO 1.64 0.96 -0.10 -0.07 -1.00 0.00 0.00 179.01 180.45 1umx h LEU 235 N 0.94 0.21 0.00 1.33 3.38 -1.94 -0.34 115.31 118.89 1umx h LEU 235 Ca 0.18 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 1umx h LEU 235 Cb 0.47 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1umx h LEU 235 CO 0.02 0.34 -0.96 -0.08 0.09 0.00 0.00 178.44 177.85 1umx h GLU 236 N 0.22 0.00 0.00 1.13 4.57 -1.88 -2.61 114.58 116.02 1umx h GLU 236 Ca 0.05 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 1umx h GLU 236 Cb 0.32 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1umx h GLU 236 CO 0.02 0.42 -0.25 1.96 -1.18 0.00 0.00 179.01 179.97 1umx h GLN 237 N 0.00 0.00 -0.16 1.92 1.08 -1.01 0.22 115.11 117.15 1umx h GLN 237 Ca -0.08 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 56.95 1umx h GLN 237 Cb 1.49 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.92 1umx h GLN 237 CO 0.06 0.25 -0.59 0.82 -0.95 0.00 0.00 178.83 178.42 1umx h ILE 238 N 0.00 1.33 0.00 2.54 2.04 -0.76 -2.95 117.51 119.71 1umx h ILE 238 Ca -0.00 -1.87 -0.14 0.00 1.00 0.00 0.00 64.86 63.85 1umx h ILE 238 Cb 0.61 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1umx h ILE 238 CO 0.03 0.58 -1.19 0.00 0.00 0.00 0.00 178.15 177.57 1umx h ALA 239 N 0.95 0.64 -1.32 1.87 0.00 -1.10 -3.42 119.26 116.87 1umx h ALA 239 Ca -0.00 -0.69 -0.21 0.00 0.00 0.00 0.00 54.91 54.01 1umx h ALA 239 Cb 1.15 0.18 -0.22 0.00 0.00 0.00 0.00 17.79 18.90 1umx h ALA 239 CO 0.11 0.78 -0.56 0.34 0.00 0.00 0.00 179.25 179.91 1umx s ASP 240 N -5.88 -0.68 0.12 0.00 2.15 0.72 -5.10 116.67 108.00 1umx s ASP 240 Ca -0.01 -1.51 -0.35 0.00 0.43 0.00 0.00 52.55 51.10 1umx s ASP 240 Cb 0.09 1.43 -0.16 0.00 -0.30 0.00 0.00 42.92 43.97 1umx s ASP 240 CO 0.80 -0.14 1.31 -1.14 -0.17 0.00 0.00 175.17 175.83 1umx n ARG 241 N 3.69 1.25 -2.71 4.34 0.63 -1.11 -4.43 116.66 118.31 1umx n ARG 241 Ca 0.15 0.45 -0.08 0.00 -0.92 0.00 0.00 57.85 57.45 1umx n ARG 241 Cb 0.53 -2.06 -0.02 0.00 0.45 0.00 0.00 32.46 31.36 1umx n ARG 241 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1umx n GLY 242 N 2.45 3.96 0.25 5.14 0.00 -1.26 -5.02 105.19 110.71 1umx n GLY 242 Ca 0.17 -2.14 0.15 0.00 0.00 0.00 0.00 46.02 44.20 1umx n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1umx h THR 243 N 1.12 0.00 0.33 2.61 1.03 -1.94 -2.61 112.91 113.44 1umx h THR 243 Ca -0.11 -0.69 -0.00 0.00 -0.01 0.00 0.00 66.41 65.60 1umx h THR 243 Cb 0.35 1.68 -0.02 0.00 -1.07 0.00 0.00 68.15 69.09 1umx h THR 243 CO 0.17 0.00 -0.31 0.00 -0.01 0.00 0.00 175.52 175.37 1umx h ALA 244 N 2.01 -0.68 -0.55 0.00 0.00 -1.88 0.61 119.26 118.77 1umx h ALA 244 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1umx h ALA 244 Cb 0.70 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1umx h ALA 244 CO 0.00 -0.91 0.07 0.00 0.00 0.00 0.00 179.25 178.40 1umx h ALA 245 N -0.13 1.08 0.41 0.00 0.00 -1.87 -1.75 119.26 116.99 1umx h ALA 245 Ca -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1umx h ALA 245 Cb 0.60 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1umx h ALA 245 CO -0.05 0.59 -0.20 0.93 0.00 0.00 0.00 179.25 180.53 1umx h GLU 246 N 0.84 -0.53 -0.02 0.00 5.08 -1.11 -1.04 114.58 117.81 1umx h GLU 246 Ca 0.17 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1umx h GLU 246 Cb 0.41 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1umx h GLU 246 CO 0.01 -0.27 0.01 0.07 -1.00 0.00 0.00 179.01 177.84 1umx h ARG 247 N -0.71 0.00 -0.01 2.33 -0.00 -0.81 -1.27 114.38 113.91 1umx h ARG 247 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.92 1umx h ARG 247 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.47 1umx h ARG 247 CO 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 179.97 180.05 1umx h ALA 248 N 1.99 0.02 -0.98 0.08 0.00 -1.04 -1.10 119.26 118.23 1umx h ALA 248 Ca 0.01 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.77 1umx h ALA 248 Cb 0.04 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1umx h ALA 248 CO -0.00 -0.24 0.62 0.00 0.00 0.00 0.00 179.25 179.63 1umx h ALA 249 N 0.55 1.40 0.00 0.00 0.00 -0.73 -3.06 119.26 117.43 1umx h ALA 249 Ca 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1umx h ALA 249 Cb 0.47 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1umx h ALA 249 CO 0.00 0.33 -0.63 -0.07 0.00 0.00 0.00 179.25 178.88 1umx h LEU 250 N 1.07 0.00 -0.65 0.00 3.38 -0.97 -0.97 115.31 117.16 1umx h LEU 250 Ca 0.45 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.37 1umx h LEU 250 Cb 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1umx h LEU 250 CO -0.21 0.49 0.23 0.15 0.09 0.00 0.00 178.44 179.19 1umx h PHE 251 N 0.00 1.01 0.00 1.13 3.04 -1.10 -0.92 116.94 120.10 1umx h PHE 251 Ca -0.03 -0.09 -0.15 0.00 3.98 0.00 0.00 57.97 61.68 1umx h PHE 251 Cb 1.40 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 39.59 1umx h PHE 251 CO 0.00 0.81 -0.73 -1.49 -2.02 0.00 0.00 178.31 174.88 1umx h TRP 252 N 0.92 0.00 0.01 0.41 4.06 -1.44 -2.37 115.95 117.54 1umx h TRP 252 Ca 0.21 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.16 1umx h TRP 252 Cb 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.40 1umx h TRP 252 CO 0.02 0.73 -0.00 -0.09 -3.56 0.00 0.00 178.44 175.53 1umx h ARG 253 N 0.00 -0.01 0.00 0.49 2.43 -0.89 -1.59 114.38 114.80 1umx h ARG 253 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1umx h ARG 253 Cb 1.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 1umx h ARG 253 CO 0.09 0.63 0.00 -1.49 -1.51 0.00 0.00 179.97 177.69 1umx h TRP 254 N -0.66 0.00 0.11 2.20 6.55 -1.17 0.27 115.95 123.25 1umx h TRP 254 Ca -0.00 0.00 -0.32 0.00 0.95 0.00 0.00 58.89 59.52 1umx h TRP 254 Cb 0.65 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.93 1umx h TRP 254 CO 0.15 0.00 -1.69 1.15 -1.05 0.00 0.00 178.44 177.00 1umx h THR 255 N 0.00 0.82 0.00 1.49 2.02 -1.14 -3.43 112.91 112.67 1umx h THR 255 Ca 0.00 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.83 1umx h THR 255 Cb 0.12 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 1umx h THR 255 CO 0.00 0.75 0.00 1.15 0.37 0.00 0.00 175.52 177.79 1umx n MET 256 N -3.77 0.00 -0.08 6.66 0.00 -0.62 -5.03 117.12 114.27 1umx n MET 256 Ca -0.29 -0.37 0.00 0.00 0.00 0.00 0.00 57.70 57.03 1umx n MET 256 Cb 0.95 -0.48 0.00 0.00 0.00 0.00 0.00 33.22 33.69 1umx n MET 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1umx n GLY 257 N 0.00 1.15 3.57 3.17 0.00 0.94 -4.99 105.19 109.02 1umx n GLY 257 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1umx n GLY 257 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1umx s PHE 258 N -2.50 0.61 0.00 1.61 -0.71 -1.26 -4.92 117.98 110.82 1umx s PHE 258 Ca 0.00 -0.95 0.00 0.00 -1.04 0.00 0.00 56.93 54.94 1umx s PHE 258 Cb 0.00 0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.96 1umx s PHE 258 CO 0.00 -1.10 0.00 0.27 -1.34 0.00 0.00 175.22 173.05 1umx n ASN 259 N -0.87 0.00 -3.54 1.98 6.94 -1.26 -3.24 115.26 115.27 1umx n ASN 259 Ca -0.01 -0.49 -0.19 0.00 -0.02 0.00 0.00 54.58 53.87 1umx n ASN 259 Cb 0.62 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.95 1umx n ASN 259 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1umx s ALA 260 N -1.22 1.82 0.35 -2.53 0.00 -1.26 -5.08 121.76 113.83 1umx s ALA 260 Ca 0.00 -1.96 0.08 0.00 0.00 0.00 0.00 51.96 50.07 1umx s ALA 260 Cb 0.00 1.42 -0.03 0.00 0.00 0.00 0.00 23.12 24.51 1umx s ALA 260 CO 0.00 -0.63 0.29 0.95 0.00 0.00 0.00 175.76 176.37 1umx s THR 261 N -3.54 3.37 0.36 0.00 -4.23 -1.26 -4.62 115.64 105.72 1umx s THR 261 Ca 0.39 -1.40 0.06 0.00 -1.18 0.00 0.00 61.69 59.57 1umx s THR 261 Cb 0.03 -3.14 0.29 0.00 1.34 0.00 0.00 72.50 71.02 1umx s THR 261 CO 0.24 -0.15 1.96 -0.03 -0.54 0.00 0.00 174.62 176.10 1umx h MET 262 N 1.25 0.73 0.12 3.99 4.05 -1.93 -0.67 114.93 122.47 1umx h MET 262 Ca -0.44 -0.04 -0.24 0.00 -0.28 0.00 0.00 59.70 58.69 1umx h MET 262 Cb 1.26 -0.16 0.01 0.00 -0.80 0.00 0.00 31.60 31.90 1umx h MET 262 CO 0.59 0.48 -1.18 1.49 0.23 0.00 0.00 176.91 178.52 1umx h GLU 263 N 0.75 0.26 -1.00 0.39 4.81 -1.95 -3.34 114.58 114.50 1umx h GLU 263 Ca 0.31 -0.44 0.23 0.00 -0.13 0.00 0.00 59.36 59.33 1umx h GLU 263 Cb 0.27 0.16 -0.09 0.00 0.63 0.00 0.00 28.75 29.72 1umx h GLU 263 CO -0.11 1.21 0.63 0.78 -0.73 0.00 0.00 179.01 180.80 1umx h GLY 264 N -0.13 1.33 2.00 1.92 0.00 -1.87 -0.63 103.07 105.69 1umx h GLY 264 Ca -0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1umx h GLY 264 CO 0.09 -0.09 -0.07 1.19 0.00 0.00 0.00 176.54 177.66 1umx h ILE 265 N 0.51 0.54 0.00 2.60 6.09 -1.25 -0.66 117.51 125.34 1umx h ILE 265 Ca 0.56 -0.30 -0.11 0.00 -1.37 0.00 0.00 64.86 63.64 1umx h ILE 265 Cb 1.24 1.20 -0.02 0.00 0.47 0.00 0.00 36.82 39.71 1umx h ILE 265 CO -0.30 0.07 -0.76 0.45 -3.07 0.00 0.00 178.15 174.54 1umx h HIS 266 N 0.00 0.00 -0.18 2.19 3.86 -1.29 0.51 115.15 120.24 1umx h HIS 266 Ca -0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 1umx h HIS 266 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1umx h HIS 266 CO 0.00 0.47 -0.40 1.25 0.86 0.00 0.00 177.93 180.12 1umx h LEU 267 N 0.00 0.67 0.15 2.43 5.85 -1.05 0.19 115.31 123.55 1umx h LEU 267 Ca -0.05 -0.56 -0.00 0.00 0.84 0.00 0.00 57.88 58.11 1umx h LEU 267 Cb 1.40 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1umx h LEU 267 CO 0.05 1.10 -0.09 -0.50 -0.34 0.00 0.00 178.44 178.67 1umx h TRP 268 N 0.26 -0.23 -0.02 1.25 4.06 -1.24 -0.33 115.95 119.71 1umx h TRP 268 Ca 0.00 -0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.96 1umx h TRP 268 Cb 1.00 0.08 -0.02 0.00 -1.00 0.00 0.00 29.16 29.22 1umx h TRP 268 CO 0.09 -0.14 -0.07 0.00 -3.56 0.00 0.00 178.44 174.76 1umx h ALA 269 N 0.62 -0.06 -0.10 1.49 0.00 -0.74 0.35 119.26 120.82 1umx h ALA 269 Ca -0.01 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1umx h ALA 269 Cb 0.19 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1umx h ALA 269 CO 0.02 -0.56 -0.15 0.97 0.00 0.00 0.00 179.25 179.53 1umx h ILE 270 N -0.11 1.16 0.22 0.00 2.10 -0.42 -2.96 117.51 117.51 1umx h ILE 270 Ca 0.03 -0.73 -0.30 0.00 1.08 0.00 0.00 64.86 64.94 1umx h ILE 270 Cb 0.16 1.25 0.03 0.00 -1.09 0.00 0.00 36.82 37.17 1umx h ILE 270 CO -0.08 0.22 -1.34 -0.50 -1.08 0.00 0.00 178.15 175.37 1umx h TRP 271 N 0.15 0.86 -0.71 2.19 4.06 -0.27 -2.64 115.95 119.59 1umx h TRP 271 Ca 0.03 -0.63 0.14 0.00 2.06 0.00 0.00 58.89 60.49 1umx h TRP 271 Cb 0.35 -0.03 -0.13 0.00 -1.00 0.00 0.00 29.16 28.35 1umx h TRP 271 CO 0.00 1.51 -0.19 1.98 -3.56 0.00 0.00 178.44 178.19 1umx h MET 272 N 0.01 -0.01 -0.09 0.49 4.05 -0.86 -1.38 114.93 117.14 1umx h MET 272 Ca -0.24 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.15 1umx h MET 272 Cb 2.04 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.84 1umx h MET 272 CO 0.24 -0.01 -0.08 0.00 0.23 0.00 0.00 176.91 177.30 1umx h ALA 273 N 1.66 0.13 -0.33 0.39 0.00 -1.62 -3.24 119.26 116.25 1umx h ALA 273 Ca 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1umx h ALA 273 Cb 0.53 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1umx h ALA 273 CO -0.73 -0.06 0.17 0.28 0.00 0.00 0.00 179.25 178.90 1umx h VAL 274 N -0.20 1.11 0.00 0.00 2.07 -1.06 -2.29 116.25 115.88 1umx h VAL 274 Ca 0.02 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1umx h VAL 274 Cb 0.57 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1umx h VAL 274 CO 0.02 0.13 -0.04 -0.07 0.02 0.00 0.00 177.57 177.63 1umx h LEU 275 N 0.46 0.00 -0.08 2.57 3.38 -1.29 -2.89 115.31 117.45 1umx h LEU 275 Ca 0.12 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1umx h LEU 275 Cb 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1umx h LEU 275 CO -0.02 0.04 -0.31 0.58 0.09 0.00 0.00 178.44 178.82 1umx h VAL 276 N 0.00 0.32 0.00 1.22 2.07 -1.52 -2.18 116.25 116.16 1umx h VAL 276 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1umx h VAL 276 Cb 0.58 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1umx h VAL 276 CO 0.00 0.00 -0.32 0.35 0.02 0.00 0.00 177.57 177.63 1umx n THR 277 N -5.40 0.47 -0.03 2.57 -2.24 -1.17 -2.23 114.28 106.25 1umx n THR 277 Ca -0.04 -0.28 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 1umx n THR 277 Cb 0.32 -0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 68.11 1umx n THR 277 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1umx h LEU 278 N 0.00 -0.04 0.00 3.22 5.85 -1.29 -1.80 115.31 121.25 1umx h LEU 278 Ca 0.00 -0.63 -0.00 0.00 0.84 0.00 0.00 57.88 58.09 1umx h LEU 278 Cb 0.74 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1umx h LEU 278 CO 0.00 0.71 -0.00 0.71 -0.34 0.00 0.00 178.44 179.52 1umx h THR 279 N -0.90 1.25 -1.24 1.05 1.35 -1.55 -2.61 112.91 110.26 1umx h THR 279 Ca -0.01 -0.76 0.37 0.00 -0.55 0.00 0.00 66.41 65.47 1umx h THR 279 Cb 0.68 1.77 -0.11 0.00 -1.73 0.00 0.00 68.15 68.75 1umx h THR 279 CO 0.01 0.20 0.81 1.23 -0.25 0.00 0.00 175.52 177.51 1umx h GLY 280 N -0.33 1.12 1.93 5.82 0.00 -1.52 0.26 103.07 110.35 1umx h GLY 280 Ca -0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 47.33 47.06 1umx h GLY 280 CO 0.00 -0.26 -0.70 -1.33 0.00 0.00 0.00 176.54 174.25 1umx h GLY 281 N 0.18 0.00 0.73 4.60 0.00 -0.94 -2.63 103.07 105.00 1umx h GLY 281 Ca 0.73 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 48.04 1umx h GLY 281 CO -0.33 0.00 -0.15 -2.22 0.00 0.00 0.00 176.54 173.84 1umx h ILE 282 N 0.00 0.71 -0.62 2.60 2.04 -0.80 -2.55 117.51 118.89 1umx h ILE 282 Ca -0.02 -0.50 0.06 0.00 1.00 0.00 0.00 64.86 65.41 1umx h ILE 282 Cb 1.50 0.97 -0.08 0.00 -0.74 0.00 0.00 36.82 38.47 1umx h ILE 282 CO 0.08 0.10 -0.35 0.61 0.00 0.00 0.00 178.15 178.59 1umx n GLY 283 N -0.50 -1.56 0.15 5.37 0.00 -0.42 -0.10 105.19 108.12 1umx n GLY 283 Ca -0.10 0.73 -0.06 0.00 0.00 0.00 0.00 46.02 46.60 1umx n GLY 283 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1umx h ILE 284 N 0.00 1.44 -0.13 -0.61 1.08 -1.53 -3.29 117.51 114.46 1umx h ILE 284 Ca 0.12 -2.24 -0.11 0.00 -0.39 0.00 0.00 64.86 62.24 1umx h ILE 284 Cb 0.27 2.19 -0.01 0.00 -3.07 0.00 0.00 36.82 36.20 1umx h ILE 284 CO -0.59 0.65 -0.42 0.25 -0.69 0.00 0.00 178.15 177.36 1umx h LEU 285 N 0.12 0.31 -0.45 1.44 5.85 -0.06 -1.25 115.31 121.27 1umx h LEU 285 Ca -0.02 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1umx h LEU 285 Cb 1.24 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1umx h LEU 285 CO 0.10 0.70 0.00 0.18 -0.34 0.00 0.00 178.44 179.09 1umx n LEU 286 N -4.02 0.70 -4.53 2.25 4.77 -0.40 -4.57 117.00 111.20 1umx n LEU 286 Ca -0.02 -0.24 -0.43 0.00 -0.03 0.00 0.00 56.01 55.29 1umx n LEU 286 Cb 0.49 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 1umx n LEU 286 CO 0.42 0.12 0.47 -0.44 -1.33 0.00 0.00 177.39 176.64 1umx s SER 287 N -1.96 6.36 0.00 -1.43 0.01 -0.47 -2.21 113.70 114.01 1umx s SER 287 Ca 0.42 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1umx s SER 287 Cb 0.21 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1umx s SER 287 CO 0.34 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.74 1umx n GLY 288 N 5.02 0.59 0.06 3.44 0.00 0.25 -4.84 105.19 109.70 1umx n GLY 288 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 1umx n GLY 288 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1umx n THR 289 N -2.79 0.77 0.00 2.61 -2.24 -1.25 -4.83 114.28 106.54 1umx n THR 289 Ca 0.00 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1umx n THR 289 Cb 0.00 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 1umx n THR 289 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1umx n VAL 290 N -2.76 0.00 -3.95 2.28 0.31 -1.24 -5.01 118.33 107.95 1umx n VAL 290 Ca -0.22 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.82 1umx n VAL 290 Cb 0.78 -0.21 -0.16 0.00 -0.91 0.00 0.00 33.84 33.34 1umx n VAL 290 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1umx s VAL 291 N -1.17 1.33 -0.19 2.52 1.01 -0.94 -5.00 120.40 117.97 1umx s VAL 291 Ca 0.00 -0.63 0.18 0.00 0.00 0.00 0.00 61.98 61.53 1umx s VAL 291 Cb 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 1umx s VAL 291 CO 0.00 0.29 1.08 0.44 0.00 0.00 0.00 175.10 176.91 1umx h ASP 292 N 8.08 0.00 -1.79 3.32 3.32 -1.91 0.71 116.42 128.15 1umx h ASP 292 Ca -0.30 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.62 1umx h ASP 292 Cb 1.12 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.38 1umx h ASP 292 CO 0.45 0.35 -0.47 0.21 -1.72 0.00 0.00 179.24 178.07 1umx s ASN 293 N -5.85 0.10 0.48 6.45 3.84 -1.25 -4.34 114.94 114.37 1umx s ASN 293 Ca 0.00 0.23 0.13 0.00 0.21 0.00 0.00 52.86 53.43 1umx s ASN 293 Cb 0.08 1.22 1.13 0.00 -0.55 0.00 0.00 41.25 43.13 1umx s ASN 293 CO 0.78 -0.30 2.11 -0.50 -2.79 0.00 0.00 177.10 176.40 1umx h TRP 294 N 8.16 0.19 -0.18 0.43 4.06 0.16 -1.85 115.95 126.92 1umx h TRP 294 Ca -0.19 0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.81 1umx h TRP 294 Cb 1.15 -0.06 -0.04 0.00 -1.00 0.00 0.00 29.16 29.21 1umx h TRP 294 CO 0.14 0.12 -0.08 -0.92 -3.56 0.00 0.00 178.44 174.13 1umx h TYR 295 N 0.20 -0.20 0.66 0.49 3.20 -1.76 -1.57 116.97 118.00 1umx h TYR 295 Ca 0.06 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1umx h TYR 295 Cb 0.00 0.11 0.01 0.00 1.54 0.00 0.00 36.73 38.39 1umx h TYR 295 CO -0.00 -0.13 -0.32 0.28 -1.64 0.00 0.00 178.16 176.35 1umx h VAL 296 N -0.06 0.00 -0.97 1.81 2.07 -1.70 -2.78 116.25 114.62 1umx h VAL 296 Ca 0.10 -0.04 0.18 0.00 0.82 0.00 0.00 66.70 67.76 1umx h VAL 296 Cb 0.21 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.81 1umx h VAL 296 CO -0.22 0.00 -0.30 1.87 0.02 0.00 0.00 177.57 178.94 1umx n TRP 297 N -4.50 0.22 0.27 1.57 -0.00 -0.89 0.93 117.44 115.05 1umx n TRP 297 Ca -0.11 1.19 0.15 0.00 -0.00 0.00 0.00 57.50 58.72 1umx n TRP 297 Cb 0.35 -0.98 0.71 0.00 -0.00 0.00 0.00 31.31 31.39 1umx n TRP 297 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1umx h GLY 298 N 0.00 0.00 0.34 5.87 0.00 -1.12 1.74 103.07 109.90 1umx h GLY 298 Ca 0.41 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.57 1umx h GLY 298 CO -0.98 0.00 -0.87 1.46 0.00 0.00 0.00 176.54 176.14 1umx h GLN 299 N 0.00 0.15 0.02 4.80 1.08 0.83 -3.40 115.11 118.59 1umx h GLN 299 Ca 0.00 -0.26 -0.00 0.00 -1.45 0.00 0.00 58.65 56.94 1umx h GLN 299 Cb 0.15 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1umx h GLN 299 CO 0.00 1.12 -0.01 -0.91 -0.95 0.00 0.00 178.83 178.08 1umx h ASN 300 N -0.62 -0.03 0.00 1.46 -0.26 -0.48 -3.49 115.58 112.16 1umx h ASN 300 Ca -0.19 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.55 1umx h ASN 300 Cb 1.45 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.72 1umx h ASN 300 CO 0.02 0.04 0.00 1.41 -1.06 0.00 0.00 177.43 177.84 1umx n HIS 301 N -2.40 0.00 0.00 1.19 8.25 0.58 -4.88 115.22 117.96 1umx n HIS 301 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1umx n HIS 301 Cb 0.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1umx n HIS 301 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1umx n GLY 302 N 0.00 0.80 0.00 -1.41 0.00 -1.23 -5.06 105.19 98.29 1umx n GLY 302 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1umx n GLY 302 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19