#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uww s GLU 2 N 0.00 3.02 0.21 0.00 -1.05 -1.26 -5.09 118.70 114.53 2uww s GLU 2 Ca 0.00 -0.70 -0.31 0.00 -0.15 0.00 0.00 54.97 53.81 2uww s GLU 2 Cb 0.00 -2.77 -0.10 0.00 -0.44 0.00 0.00 34.13 30.82 2uww s GLU 2 CO 0.00 0.55 1.55 -0.47 0.95 0.00 0.00 175.26 177.83 2uww s TYR 3 N -1.54 3.00 -1.19 4.83 5.04 -1.26 -4.95 117.35 121.29 2uww s TYR 3 Ca 0.31 0.73 0.11 0.00 -2.44 0.00 0.00 57.07 55.78 2uww s TYR 3 Cb -0.12 -3.93 0.04 0.00 0.35 0.00 0.00 41.96 38.31 2uww s TYR 3 CO 0.24 -3.31 0.76 1.04 -1.34 0.00 0.00 175.55 172.94 2uww n GLN 4 N 3.32 1.26 -2.20 4.97 1.13 -1.26 -5.01 117.38 119.59 2uww n GLN 4 Ca 0.11 -0.91 -0.18 0.00 -1.94 0.00 0.00 57.00 54.09 2uww n GLN 4 Cb 0.39 -1.16 -0.02 0.00 0.11 0.00 0.00 30.24 29.56 2uww n GLN 4 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2uww n ASN 5 N 0.21 -5.29 0.07 1.08 5.15 -1.26 -4.89 115.26 110.33 2uww n ASN 5 Ca 0.05 0.07 -0.22 0.00 -0.60 0.00 0.00 54.58 53.88 2uww n ASN 5 Cb 0.25 -4.36 -0.15 0.00 -0.53 0.00 0.00 39.78 34.99 2uww n ASN 5 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2uww h ILE 6 N 0.00 1.21 -4.11 -1.44 1.08 -1.96 -3.46 117.51 108.84 2uww h ILE 6 Ca -0.42 -2.53 -0.64 0.00 -0.39 0.00 0.00 64.86 60.87 2uww h ILE 6 Cb 1.30 2.94 -0.24 0.00 -3.07 0.00 0.00 36.82 37.75 2uww h ILE 6 CO 0.52 0.76 -0.86 -0.36 -0.69 0.00 0.00 178.15 177.53 2uww s PHE 7 N -2.51 2.09 0.44 1.37 0.08 -1.26 -4.80 117.98 113.39 2uww s PHE 7 Ca -0.15 -0.40 -0.23 0.00 0.12 0.00 0.00 56.93 56.27 2uww s PHE 7 Cb 0.03 -1.20 -0.08 0.00 -0.57 0.00 0.00 43.02 41.21 2uww s PHE 7 CO 0.85 0.18 1.15 -1.12 -0.10 0.00 0.00 175.22 176.18 2uww s SER 8 N -1.54 6.30 0.01 1.36 0.01 0.40 -4.97 113.70 115.26 2uww s SER 8 Ca 0.10 2.28 0.03 0.00 1.31 0.00 0.00 55.95 59.68 2uww s SER 8 Cb -0.10 -2.60 -0.25 0.00 0.21 0.00 0.00 66.02 63.28 2uww s SER 8 CO 0.03 -0.83 0.86 1.56 0.41 0.00 0.00 173.24 175.28 2uww h GLN 9 N 2.20 0.13 -3.63 12.44 4.20 -1.96 -3.47 115.11 125.02 2uww h GLN 9 Ca -0.49 -0.23 -0.36 0.00 0.06 0.00 0.00 58.65 57.64 2uww h GLN 9 Cb 1.24 0.08 -0.35 0.00 0.30 0.00 0.00 27.48 28.75 2uww h GLN 9 CO 0.61 0.93 -0.75 0.08 -0.67 0.00 0.00 178.83 179.03 2uww s VAL 10 N -2.63 0.14 0.07 -0.54 1.01 -1.26 -5.14 120.40 112.04 2uww s VAL 10 Ca -0.07 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 2uww s VAL 10 Cb 0.08 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 36.14 2uww s VAL 10 CO 0.83 0.16 0.32 -1.10 0.00 0.00 0.00 175.10 175.31 2uww s GLN 11 N 1.33 3.60 0.13 2.72 -0.21 -1.26 -5.11 119.66 120.87 2uww s GLN 11 Ca -0.05 -0.09 0.07 0.00 0.02 0.00 0.00 55.36 55.31 2uww s GLN 11 Cb -0.13 -2.98 -0.04 0.00 1.00 0.00 0.00 33.01 30.86 2uww s GLN 11 CO -0.02 0.57 -0.17 0.14 -2.12 0.00 0.00 175.29 173.68 2uww s VAL 12 N -1.46 1.62 0.00 1.09 -7.23 -1.26 -5.15 120.40 108.01 2uww s VAL 12 Ca 0.34 -1.73 -0.02 0.00 -1.81 0.00 0.00 61.98 58.75 2uww s VAL 12 Cb -0.13 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 2uww s VAL 12 CO 0.21 -0.28 0.03 -0.60 -0.31 0.00 0.00 175.10 174.15 2uww s ARG 13 N -2.48 0.27 0.00 4.82 3.52 -1.26 -5.03 118.95 118.79 2uww s ARG 13 Ca 0.10 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 2uww s ARG 13 Cb -0.07 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.43 2uww s ARG 13 CO 0.05 -0.05 0.00 0.41 -0.81 0.00 0.00 175.30 174.90 2uww n GLY 14 N 2.02 4.13 3.60 8.12 0.00 -1.26 -5.13 105.19 116.67 2uww n GLY 14 Ca -0.20 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 2uww n GLY 14 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2uww n PRO 15 N 0.00 1.26 -1.64 1.61 -0.02 -1.26 -4.81 135.00 130.14 2uww n PRO 15 Ca 0.00 0.46 -0.48 0.00 -2.02 0.00 0.00 63.50 61.46 2uww n PRO 15 Cb 0.00 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.41 2uww n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uww n ALA 16 N -0.65 0.46 -2.58 3.55 0.00 -1.26 -4.89 120.51 115.14 2uww n ALA 16 Ca 0.10 0.46 -0.42 0.00 0.00 0.00 0.00 53.44 53.58 2uww n ALA 16 Cb 0.40 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 17.57 2uww n ALA 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2uww s ASP 17 N 0.61 6.56 0.00 0.00 -1.08 -1.26 -4.89 116.67 116.60 2uww s ASP 17 Ca 0.78 0.32 0.28 0.00 -0.52 0.00 0.00 52.55 53.41 2uww s ASP 17 Cb -0.77 -2.42 1.01 0.00 -1.46 0.00 0.00 42.92 39.29 2uww s ASP 17 CO 0.44 -0.83 1.73 0.18 0.52 0.00 0.00 175.17 177.21 2uww n LEU 18 N 6.65 0.61 0.00 -1.34 4.77 -1.26 -4.63 117.00 121.80 2uww n LEU 18 Ca 0.04 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2uww n LEU 18 Cb 0.48 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2uww n LEU 18 CO 0.57 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2uww n GLY 19 N 1.33 -0.60 3.80 -0.72 0.00 -1.26 -4.92 105.19 102.82 2uww n GLY 19 Ca 0.12 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 2uww n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2uww s MET 20 N -1.16 4.42 -0.14 1.61 -1.94 -1.26 -5.00 119.30 115.83 2uww s MET 20 Ca 0.00 1.13 -0.11 0.00 -1.71 0.00 0.00 55.69 55.00 2uww s MET 20 Cb 0.00 -2.76 -0.08 0.00 2.01 0.00 0.00 34.83 34.00 2uww s MET 20 CO 0.00 0.29 0.03 1.15 -0.01 0.00 0.00 175.02 176.48 2uww h THR 21 N 2.58 0.35 0.00 2.05 2.02 -1.95 -3.47 112.91 114.48 2uww h THR 21 Ca -0.47 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.35 2uww h THR 21 Cb 1.19 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 2uww h THR 21 CO 0.65 0.12 0.00 -0.62 0.37 0.00 0.00 175.52 176.04 2uww n GLU 22 N -4.62 0.00 -0.75 6.66 -0.58 -1.26 -0.48 120.64 119.61 2uww n GLU 22 Ca -0.10 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.72 2uww n GLU 22 Cb 0.30 0.00 0.38 0.00 -0.57 0.00 0.00 31.44 31.55 2uww n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2uww n ASP 23 N 1.94 5.21 -4.74 1.62 8.00 -0.23 -4.98 116.55 123.36 2uww n ASP 23 Ca 0.00 -2.66 -0.41 0.00 0.71 0.00 0.00 54.79 52.43 2uww n ASP 23 Cb 0.00 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.43 2uww n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2uww s VAL 24 N -2.25 3.46 -0.65 2.53 1.01 0.37 -4.89 120.40 119.99 2uww s VAL 24 Ca 0.53 1.29 -0.27 0.00 0.00 0.00 0.00 61.98 63.53 2uww s VAL 24 Cb 0.37 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 2uww s VAL 24 CO 0.21 0.24 1.74 0.21 0.00 0.00 0.00 175.10 177.49 2uww s ASN 25 N -0.13 5.46 0.58 3.32 3.84 -1.26 -4.87 114.94 121.88 2uww s ASN 25 Ca 0.51 0.14 0.33 0.00 0.21 0.00 0.00 52.86 54.05 2uww s ASN 25 Cb -0.33 -2.54 1.76 0.00 -0.55 0.00 0.00 41.25 39.60 2uww s ASN 25 CO 0.39 -2.27 2.18 -0.07 -2.79 0.00 0.00 177.10 174.54 2uww h LEU 26 N 15.71 0.00 -2.16 3.21 3.38 -1.94 -1.52 115.31 131.98 2uww h LEU 26 Ca -0.25 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2uww h LEU 26 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2uww h LEU 26 CO 1.23 0.05 0.03 0.00 0.09 0.00 0.00 178.44 179.84 2uww h ALA 27 N 1.95 1.86 -0.01 1.53 0.00 -2.02 -2.21 119.26 120.35 2uww h ALA 27 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2uww h ALA 27 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2uww h ALA 27 CO 0.01 -0.04 -0.02 0.09 0.00 0.00 0.00 179.25 179.28 2uww n ASN 28 N -4.27 1.35 -4.78 0.00 3.02 -0.57 -4.85 115.26 105.16 2uww n ASN 28 Ca -0.02 -1.41 -0.39 0.00 -0.03 0.00 0.00 54.58 52.73 2uww n ASN 28 Cb 0.12 0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.24 2uww n ASN 28 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2uww s ARG 29 N -2.05 4.30 1.27 3.52 0.52 -0.83 -0.01 118.95 125.67 2uww s ARG 29 Ca 0.37 0.77 -0.19 0.00 -0.52 0.00 0.00 55.73 56.16 2uww s ARG 29 Cb 0.21 -3.31 0.31 0.00 0.52 0.00 0.00 34.95 32.68 2uww s ARG 29 CO 0.35 0.46 1.03 -1.54 0.02 0.00 0.00 175.30 175.62 2uww s SER 30 N -0.51 0.28 0.98 0.23 1.04 0.06 -4.97 113.70 110.81 2uww s SER 30 Ca 0.31 0.85 -0.16 0.00 0.48 0.00 0.00 55.95 57.43 2uww s SER 30 Cb -0.19 -1.22 0.19 0.00 0.10 0.00 0.00 66.02 64.90 2uww s SER 30 CO 0.18 -4.54 1.25 -0.83 0.98 0.00 0.00 173.24 170.28 2uww s GLY 31 N -3.43 1.70 0.43 7.32 0.00 -1.26 -4.64 107.32 107.44 2uww s GLY 31 Ca 0.69 -1.02 -0.23 0.00 0.00 0.00 0.00 44.72 44.17 2uww s GLY 31 CO 0.58 -0.29 1.06 -1.34 0.00 0.00 0.00 173.10 173.11 2uww s VAL 32 N -3.64 3.69 0.00 1.40 -7.23 -1.26 -4.27 120.40 109.09 2uww s VAL 32 Ca 0.71 1.21 0.00 0.00 -1.81 0.00 0.00 61.98 62.09 2uww s VAL 32 Cb -0.07 -3.58 0.00 0.00 0.56 0.00 0.00 36.38 33.29 2uww s VAL 32 CO 0.53 -0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.85 2uww n GLY 33 N 0.15 -0.77 3.66 2.32 0.00 0.65 -4.96 105.19 106.25 2uww n GLY 33 Ca 0.07 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 2uww n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2uww s PRO 34 N -1.94 -0.40 -0.15 1.61 0.04 -1.26 -4.59 135.00 128.31 2uww s PRO 34 Ca 0.00 0.12 -0.02 0.00 0.04 0.00 0.00 61.00 61.14 2uww s PRO 34 Cb 0.00 -1.68 -0.02 0.00 0.04 0.00 0.00 34.50 32.85 2uww s PRO 34 CO 0.00 -3.20 -0.09 -0.06 0.04 0.00 0.00 177.00 173.69 2uww s PHE 35 N -3.08 2.91 -0.37 0.56 0.40 -1.26 -1.95 117.98 115.19 2uww s PHE 35 Ca 0.69 -0.57 -0.07 0.00 -0.60 0.00 0.00 56.93 56.37 2uww s PHE 35 Cb -0.13 -1.92 0.05 0.00 0.51 0.00 0.00 43.02 41.54 2uww s PHE 35 CO 0.56 -0.20 0.16 0.45 0.70 0.00 0.00 175.22 176.89 2uww s SER 36 N 0.52 5.44 0.41 1.36 0.15 0.61 -4.94 113.70 117.26 2uww s SER 36 Ca -0.06 -1.29 0.08 0.00 0.70 0.00 0.00 55.95 55.38 2uww s SER 36 Cb -0.15 -1.91 0.87 0.00 -1.71 0.00 0.00 66.02 63.12 2uww s SER 36 CO 0.03 -0.41 2.04 0.74 1.20 0.00 0.00 173.24 176.85 2uww h THR 37 N 6.14 1.11 0.29 6.45 2.02 -1.97 -1.67 112.91 125.27 2uww h THR 37 Ca -0.23 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 2uww h THR 37 Cb 1.08 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2uww h THR 37 CO 0.66 0.12 -0.15 0.25 0.37 0.00 0.00 175.52 176.76 2uww h LEU 38 N 0.46 -0.37 -0.93 2.58 5.85 -1.96 -2.74 115.31 118.19 2uww h LEU 38 Ca 0.12 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.93 2uww h LEU 38 Cb 0.02 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 2uww h LEU 38 CO -0.02 -0.25 0.59 -0.07 -0.34 0.00 0.00 178.44 178.34 2uww h LEU 39 N -0.41 0.92 -0.95 2.25 4.07 -1.83 -2.78 115.31 116.58 2uww h LEU 39 Ca -0.03 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2uww h LEU 39 Cb 0.33 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.89 2uww h LEU 39 CO 0.05 0.58 0.00 0.61 -1.08 0.00 0.00 178.44 178.60 2uww n GLY 40 N -1.34 -0.92 0.23 0.83 0.00 -0.65 -0.58 105.19 102.76 2uww n GLY 40 Ca 0.14 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.39 2uww n GLY 40 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2uww h TRP 41 N 0.00 0.00 0.00 1.61 4.06 -1.31 -3.39 115.95 116.92 2uww h TRP 41 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2uww h TRP 41 Cb 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.27 2uww h TRP 41 CO 0.00 0.21 -0.98 0.34 -3.56 0.00 0.00 178.44 174.45 2uww n PHE 42 N -3.47 0.00 -2.29 0.49 7.35 -0.24 -0.45 117.46 118.85 2uww n PHE 42 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2uww n PHE 42 Cb 0.38 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.21 2uww n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2uww n GLY 43 N 3.39 5.47 3.76 7.13 0.00 0.25 -4.91 105.19 120.28 2uww n GLY 43 Ca 0.00 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 2uww n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2uww s ASN 44 N 1.00 6.98 0.27 1.61 0.01 -1.26 -3.81 114.94 119.73 2uww s ASN 44 Ca 0.00 2.51 0.14 0.00 -0.71 0.00 0.00 52.86 54.80 2uww s ASN 44 Cb 0.00 -2.64 0.09 0.00 0.41 0.00 0.00 41.25 39.11 2uww s ASN 44 CO 0.00 -0.37 1.45 0.00 -1.51 0.00 0.00 177.10 176.67 2uww h ALA 45 N 3.61 0.66 -2.69 0.60 0.00 -1.84 -3.36 119.26 116.24 2uww h ALA 45 Ca -0.48 -0.51 -0.51 0.00 0.00 0.00 0.00 54.91 53.41 2uww h ALA 45 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2uww h ALA 45 CO 0.66 0.69 0.46 -1.14 0.00 0.00 0.00 179.25 179.92 2uww s GLN 46 N -2.99 4.64 -0.00 0.00 0.74 -1.26 -0.28 119.66 120.50 2uww s GLN 46 Ca 0.03 1.70 0.03 0.00 0.05 0.00 0.00 55.36 57.17 2uww s GLN 46 Cb 0.08 -3.27 -0.03 0.00 1.10 0.00 0.00 33.01 30.89 2uww s GLN 46 CO 0.75 0.16 -0.07 -0.51 -0.55 0.00 0.00 175.29 175.07 2uww s LEU 47 N -0.65 3.15 0.24 3.68 2.01 -0.82 -4.95 118.68 121.34 2uww s LEU 47 Ca 0.47 -0.14 0.00 0.00 0.01 0.00 0.00 54.13 54.47 2uww s LEU 47 Cb -0.29 -1.80 0.00 0.00 0.01 0.00 0.00 46.19 44.11 2uww s LEU 47 CO 0.36 0.29 0.00 0.61 1.01 0.00 0.00 176.35 178.62 2uww n GLY 48 N 1.62 -1.73 3.74 -3.19 0.00 -1.26 -0.25 105.19 104.12 2uww n GLY 48 Ca -0.16 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 2uww n GLY 48 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2uww s PRO 49 N -1.90 0.90 0.19 1.61 0.02 -1.26 -4.64 135.00 129.91 2uww s PRO 49 Ca 0.00 0.41 0.10 0.00 0.02 0.00 0.00 61.00 61.53 2uww s PRO 49 Cb 0.00 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.68 2uww s PRO 49 CO 0.00 -2.39 -0.18 -1.50 -0.33 0.00 0.00 177.00 172.60 2uww s ILE 50 N -3.14 2.72 -0.12 2.83 2.07 -1.26 -4.93 121.20 119.37 2uww s ILE 50 Ca 0.64 -1.87 -0.18 0.00 -1.41 0.00 0.00 60.65 57.83 2uww s ILE 50 Cb -0.16 -2.32 -0.04 0.00 0.13 0.00 0.00 42.46 40.06 2uww s ILE 50 CO 0.55 -0.11 0.49 -0.47 -1.91 0.00 0.00 174.94 173.49 2uww s TYR 51 N -1.68 3.51 0.00 3.50 6.14 -1.26 -0.76 117.35 126.80 2uww s TYR 51 Ca 0.22 0.90 0.00 0.00 0.64 0.00 0.00 57.07 58.84 2uww s TYR 51 Cb -0.08 -2.57 0.00 0.00 0.42 0.00 0.00 41.96 39.73 2uww s TYR 51 CO 0.12 0.16 0.00 1.28 0.64 0.00 0.00 175.55 177.75 2uww n LEU 52 N 3.70 0.00 0.00 6.97 7.99 0.99 -4.95 117.00 131.70 2uww n LEU 52 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.93 2uww n LEU 52 Cb 0.52 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 2uww n LEU 52 CO 0.43 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.92 2uww n GLY 53 N 4.20 -2.21 0.22 -0.72 0.00 -1.26 -3.72 105.19 101.69 2uww n GLY 53 Ca 0.00 -1.49 -0.18 0.00 0.00 0.00 0.00 46.02 44.36 2uww n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2uww h SER 54 N 0.00 0.94 -0.84 1.61 4.64 -1.99 -2.00 113.55 115.90 2uww h SER 54 Ca 0.00 -0.64 0.08 0.00 -0.47 0.00 0.00 61.79 60.76 2uww h SER 54 Cb 0.00 -0.28 -0.07 0.00 -0.31 0.00 0.00 62.40 61.74 2uww h SER 54 CO 0.00 1.43 0.50 0.25 -0.87 0.00 0.00 176.83 178.14 2uww h LEU 55 N 0.52 0.75 -0.89 5.97 6.46 -1.97 -1.00 115.31 125.15 2uww h LEU 55 Ca -0.06 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2uww h LEU 55 Cb 1.42 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 41.20 2uww h LEU 55 CO 0.16 0.45 0.54 1.23 -0.62 0.00 0.00 178.44 180.20 2uww h GLY 56 N 0.87 1.29 0.94 3.75 0.00 -1.57 -1.16 103.07 107.19 2uww h GLY 56 Ca 0.39 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 2uww h GLY 56 CO -0.22 0.52 -0.07 -2.08 0.00 0.00 0.00 176.54 174.69 2uww h VAL 57 N 1.22 1.27 -0.19 4.60 2.07 -0.80 -2.02 116.25 122.41 2uww h VAL 57 Ca 0.32 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.75 2uww h VAL 57 Cb -0.06 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2uww h VAL 57 CO -0.06 0.37 0.02 0.25 0.02 0.00 0.00 177.57 178.17 2uww h LEU 58 N 0.49 -0.03 -0.53 2.57 5.85 -0.92 0.24 115.31 122.97 2uww h LEU 58 Ca 0.09 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2uww h LEU 58 Cb 0.57 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2uww h LEU 58 CO 0.03 0.01 0.28 0.28 -0.34 0.00 0.00 178.44 178.71 2uww h SER 59 N 0.09 0.67 -0.28 1.25 0.02 -1.12 -0.48 113.55 113.70 2uww h SER 59 Ca 0.09 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 2uww h SER 59 Cb 0.10 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2uww h SER 59 CO -0.13 0.58 -0.20 0.25 -1.14 0.00 0.00 176.83 176.19 2uww h LEU 60 N 0.71 0.66 -0.12 5.07 5.85 -1.17 0.66 115.31 126.97 2uww h LEU 60 Ca 0.19 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 2uww h LEU 60 Cb 0.06 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2uww h LEU 60 CO -0.03 0.96 0.07 0.15 -0.34 0.00 0.00 178.44 179.25 2uww h PHE 61 N 0.36 0.16 -0.82 1.25 3.57 -0.85 -0.36 116.94 120.25 2uww h PHE 61 Ca 0.05 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 2uww h PHE 61 Cb 0.74 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 2uww h PHE 61 CO 0.07 0.17 0.35 1.03 -2.23 0.00 0.00 178.31 177.69 2uww h SER 62 N 0.11 1.11 -0.53 0.41 0.87 -1.03 -0.70 113.55 113.79 2uww h SER 62 Ca 0.04 -0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.34 2uww h SER 62 Cb 0.06 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 2uww h SER 62 CO -0.01 0.96 -0.06 1.23 -0.53 0.00 0.00 176.83 178.42 2uww h GLY 63 N 1.19 1.07 1.00 5.77 0.00 -0.64 -1.18 103.07 110.27 2uww h GLY 63 Ca 0.28 -0.84 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 2uww h GLY 63 CO -0.03 0.77 0.10 1.41 0.00 0.00 0.00 176.54 178.79 2uww h LEU 64 N 0.86 0.83 -1.10 3.11 3.38 -0.84 -1.65 115.31 119.89 2uww h LEU 64 Ca 0.14 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.89 2uww h LEU 64 Cb 0.62 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 2uww h LEU 64 CO 0.04 0.87 0.61 0.24 0.09 0.00 0.00 178.44 180.28 2uww h MET 65 N 0.75 1.16 0.07 1.13 2.86 -0.96 0.39 114.93 120.34 2uww h MET 65 Ca 0.16 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2uww h MET 65 Cb 0.38 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2uww h MET 65 CO 0.01 0.77 -0.04 2.35 1.06 0.00 0.00 176.91 181.06 2uww h TRP 66 N 1.20 -0.09 -0.61 -0.22 7.01 -0.96 -0.47 115.95 121.82 2uww h TRP 66 Ca 0.35 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.33 2uww h TRP 66 Cb -0.06 0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.01 2uww h TRP 66 CO -0.00 -0.05 0.31 0.35 -2.79 0.00 0.00 178.44 176.26 2uww h PHE 67 N -0.10 0.85 -0.06 2.65 3.57 -0.59 -2.58 116.94 120.67 2uww h PHE 67 Ca -0.01 -0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.27 2uww h PHE 67 Cb 0.08 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 2uww h PHE 67 CO -0.07 0.63 -0.76 0.74 -2.23 0.00 0.00 178.31 176.62 2uww h PHE 68 N 0.82 0.53 -0.53 0.41 0.05 -0.20 -1.39 116.94 116.64 2uww h PHE 68 Ca 0.21 -0.24 0.05 0.00 3.82 0.00 0.00 57.97 61.80 2uww h PHE 68 Cb 0.08 -0.08 -0.05 0.00 2.00 0.00 0.00 35.95 37.91 2uww h PHE 68 CO -0.01 1.01 0.27 1.15 -0.18 0.00 0.00 178.31 180.55 2uww h THR 69 N 0.26 0.96 -0.38 -1.55 2.02 -0.92 0.26 112.91 113.56 2uww h THR 69 Ca -0.04 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 2uww h THR 69 Cb 1.34 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2uww h THR 69 CO 0.13 0.10 -0.02 0.40 0.37 0.00 0.00 175.52 176.49 2uww h ILE 70 N 0.52 1.26 -0.55 3.11 2.04 -1.37 -2.59 117.51 119.93 2uww h ILE 70 Ca 0.23 -1.03 -0.09 0.00 1.00 0.00 0.00 64.86 64.97 2uww h ILE 70 Cb 0.14 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2uww h ILE 70 CO -0.16 0.34 -0.00 1.23 0.00 0.00 0.00 178.15 179.56 2uww h GLY 71 N 0.49 1.03 0.90 5.37 0.00 -0.93 -0.82 103.07 109.12 2uww h GLY 71 Ca 0.10 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 2uww h GLY 71 CO 0.02 0.68 0.10 1.19 0.00 0.00 0.00 176.54 178.53 2uww h ILE 72 N 0.88 1.18 -0.94 2.60 6.09 -0.51 -1.39 117.51 125.42 2uww h ILE 72 Ca 0.16 -0.56 0.11 0.00 -1.37 0.00 0.00 64.86 63.20 2uww h ILE 72 Cb 0.52 1.05 -0.07 0.00 0.47 0.00 0.00 36.82 38.79 2uww h ILE 72 CO 0.03 0.19 0.60 -0.25 -3.07 0.00 0.00 178.15 175.64 2uww h TRP 73 N 0.27 1.02 -0.28 2.19 2.91 -1.14 -1.16 115.95 119.77 2uww h TRP 73 Ca 0.09 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.10 2uww h TRP 73 Cb 0.20 -0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 28.51 2uww h TRP 73 CO -0.00 0.45 0.02 0.74 -1.03 0.00 0.00 178.44 178.62 2uww h PHE 74 N 0.93 0.51 -0.42 2.65 -1.00 -0.73 -0.67 116.94 118.22 2uww h PHE 74 Ca 0.44 -0.08 0.04 0.00 2.81 0.00 0.00 57.97 61.19 2uww h PHE 74 Cb 0.44 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 39.83 2uww h PHE 74 CO -0.00 0.60 0.18 -1.49 -1.61 0.00 0.00 178.31 175.99 2uww h TRP 75 N 0.27 0.33 -0.47 -0.55 4.06 -0.79 0.00 115.95 118.80 2uww h TRP 75 Ca 0.08 0.02 0.07 0.00 2.06 0.00 0.00 58.89 61.12 2uww h TRP 75 Cb 0.38 -0.09 -0.06 0.00 -1.00 0.00 0.00 29.16 28.40 2uww h TRP 75 CO 0.03 0.15 0.14 -0.92 -3.56 0.00 0.00 178.44 174.28 2uww h TYR 76 N 0.37 0.24 0.00 0.49 3.20 -1.02 0.78 116.97 121.03 2uww h TYR 76 Ca 0.18 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 2uww h TYR 76 Cb 0.13 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 2uww h TYR 76 CO -0.12 0.06 -0.16 1.96 -1.64 0.00 0.00 178.16 178.26 2uww h GLN 77 N 0.29 0.00 -0.03 1.82 4.20 -0.57 -1.50 115.11 119.32 2uww h GLN 77 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2uww h GLN 77 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2uww h GLN 77 CO -0.26 0.16 0.00 0.00 -0.67 0.00 0.00 178.83 178.05 2uww n ALA 78 N -2.43 2.62 -2.79 3.87 0.00 -0.06 -4.90 120.51 116.83 2uww n ALA 78 Ca -0.02 -0.27 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 2uww n ALA 78 Cb 0.23 -1.33 0.02 0.00 0.00 0.00 0.00 19.45 18.37 2uww n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uww n GLY 79 N 1.00 -0.52 2.58 0.00 0.00 -0.57 -2.47 105.19 105.22 2uww n GLY 79 Ca 0.19 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 2uww n GLY 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2uww n TRP 80 N -4.33 0.00 -3.42 1.61 7.02 0.15 -4.97 117.44 113.51 2uww n TRP 80 Ca -0.17 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.90 2uww n TRP 80 Cb 0.65 -2.51 -0.10 0.00 -2.42 0.00 0.00 31.31 26.93 2uww n TRP 80 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 2uww s ASN 81 N -2.58 6.15 0.28 -0.99 3.84 -1.03 -4.98 114.94 115.63 2uww s ASN 81 Ca 0.00 -0.50 0.02 0.00 0.21 0.00 0.00 52.86 52.59 2uww s ASN 81 Cb 0.00 -2.19 0.59 0.00 -0.55 0.00 0.00 41.25 39.10 2uww s ASN 81 CO 0.00 -0.40 1.80 -0.65 -2.79 0.00 0.00 177.10 175.06 2uww h PRO 82 N 8.56 0.80 -0.47 0.43 0.11 -1.93 0.96 132.00 140.47 2uww h PRO 82 Ca -0.29 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.67 2uww h PRO 82 Cb 1.13 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 2uww h PRO 82 CO 0.71 0.53 -0.14 0.00 -0.21 0.00 0.00 178.00 178.90 2uww h ALA 83 N 1.57 0.87 -0.14 -0.75 0.00 -1.96 -2.13 119.26 116.71 2uww h ALA 83 Ca 0.51 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 2uww h ALA 83 Cb 0.64 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2uww h ALA 83 CO -0.32 0.64 -0.61 0.28 0.00 0.00 0.00 179.25 179.24 2uww h VAL 84 N 0.79 1.34 -0.39 0.00 2.07 -1.63 -1.94 116.25 116.49 2uww h VAL 84 Ca 0.12 -1.91 0.06 0.00 0.82 0.00 0.00 66.70 65.79 2uww h VAL 84 Cb 0.66 1.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.27 2uww h VAL 84 CO 0.05 0.59 0.08 0.15 0.02 0.00 0.00 177.57 178.46 2uww h PHE 85 N 0.37 0.14 -0.10 1.57 3.57 -0.47 -0.69 116.94 121.32 2uww h PHE 85 Ca -0.01 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.29 2uww h PHE 85 Cb 1.16 -0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.91 2uww h PHE 85 CO 0.04 0.02 -0.84 -0.07 -2.23 0.00 0.00 178.31 175.24 2uww h LEU 86 N 0.21 0.85 -0.34 0.59 3.38 -1.39 -1.70 115.31 116.92 2uww h LEU 86 Ca 0.18 -0.59 0.02 0.00 0.09 0.00 0.00 57.88 57.59 2uww h LEU 86 Cb 0.21 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2uww h LEU 86 CO -0.24 1.38 0.18 -0.09 0.09 0.00 0.00 178.44 179.76 2uww h ARG 87 N 0.46 0.35 -0.49 1.13 2.43 -1.11 -3.16 114.38 113.99 2uww h ARG 87 Ca -0.07 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2uww h ARG 87 Cb 1.47 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 2uww h ARG 87 CO 0.17 0.23 0.00 -0.25 -1.51 0.00 0.00 179.97 178.61 2uww n ASP 88 N -4.93 3.62 -0.29 -3.80 8.00 -0.29 -4.74 116.55 114.12 2uww n ASP 88 Ca 0.00 -2.19 0.02 0.00 0.71 0.00 0.00 54.79 53.33 2uww n ASP 88 Cb 0.08 -0.39 0.09 0.00 -0.02 0.00 0.00 41.12 40.87 2uww n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2uww h LEU 89 N 2.95 -0.85 0.00 0.64 5.85 -1.26 0.14 115.31 122.77 2uww h LEU 89 Ca 0.00 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2uww h LEU 89 Cb 1.00 0.53 0.00 0.00 0.37 0.00 0.00 40.66 42.56 2uww h LEU 89 CO 0.06 -0.28 0.00 0.49 -0.34 0.00 0.00 178.44 178.38 2uww n PHE 90 N -5.52 0.00 -0.04 1.25 3.72 -1.26 -3.33 117.46 112.28 2uww n PHE 90 Ca 0.11 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.52 2uww n PHE 90 Cb 0.41 -0.20 -0.13 0.00 -0.94 0.00 0.00 39.48 38.61 2uww n PHE 90 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2uww n PHE 91 N -1.20 0.00 -1.44 1.38 3.72 0.43 -1.40 117.46 118.94 2uww n PHE 91 Ca 0.15 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.22 2uww n PHE 91 Cb 0.18 -0.60 0.09 0.00 -0.94 0.00 0.00 39.48 38.21 2uww n PHE 91 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2uww s PHE 92 N -2.82 2.19 -0.24 1.38 0.08 -0.89 -4.83 117.98 112.85 2uww s PHE 92 Ca -0.07 1.60 -0.14 0.00 0.12 0.00 0.00 56.93 58.44 2uww s PHE 92 Cb 0.08 -3.35 0.07 0.00 -0.57 0.00 0.00 43.02 39.25 2uww s PHE 92 CO 0.70 -2.33 0.60 0.45 -0.10 0.00 0.00 175.22 174.54 2uww s SER 93 N -2.32 -0.81 -0.34 1.36 0.15 -1.26 -4.31 113.70 106.17 2uww s SER 93 Ca 0.71 1.32 -0.17 0.00 0.70 0.00 0.00 55.95 58.50 2uww s SER 93 Cb -0.25 1.20 -0.01 0.00 -1.71 0.00 0.00 66.02 65.25 2uww s SER 93 CO 0.46 -0.22 0.47 -0.22 1.20 0.00 0.00 173.24 174.93 2uww s LEU 94 N 1.58 4.34 0.07 3.45 2.96 0.17 -4.96 118.68 126.29 2uww s LEU 94 Ca -0.10 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 2uww s LEU 94 Cb -0.06 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 2uww s LEU 94 CO -0.18 -0.42 0.05 -1.61 -1.32 0.00 0.00 176.35 172.87 2uww s GLU 95 N 2.29 2.81 0.92 1.98 0.41 -1.26 -0.52 118.70 125.32 2uww s GLU 95 Ca 0.17 -0.70 -0.12 0.00 -0.41 0.00 0.00 54.97 53.91 2uww s GLU 95 Cb -0.16 -2.69 0.14 0.00 -1.78 0.00 0.00 34.13 29.64 2uww s GLU 95 CO 0.13 0.57 1.09 -1.25 -0.49 0.00 0.00 175.26 175.31 2uww s PRO 96 N -2.23 1.10 0.78 0.39 0.04 -1.26 -4.35 135.00 129.47 2uww s PRO 96 Ca 0.27 0.69 -0.15 0.00 0.04 0.00 0.00 61.00 61.86 2uww s PRO 96 Cb -0.12 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.64 2uww s PRO 96 CO 0.19 -2.32 0.86 -2.30 0.04 0.00 0.00 177.00 173.47 2uww n PRO 97 N -3.92 0.24 -1.24 0.56 -0.02 -1.26 -4.66 135.00 124.72 2uww n PRO 97 Ca 0.06 0.14 -0.34 0.00 -2.02 0.00 0.00 63.50 61.35 2uww n PRO 97 Cb 0.56 -2.14 0.11 0.00 -0.02 0.00 0.00 33.50 32.01 2uww n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uww s ALA 98 N -2.02 1.95 0.57 3.55 0.00 -1.26 -3.21 121.76 121.34 2uww s ALA 98 Ca 0.69 0.83 0.27 0.00 0.00 0.00 0.00 51.96 53.75 2uww s ALA 98 Cb -0.31 -3.47 1.50 0.00 0.00 0.00 0.00 23.12 20.84 2uww s ALA 98 CO 0.55 -2.12 2.00 -1.35 0.00 0.00 0.00 175.76 174.83 2uww h PRO 99 N -0.70 0.00 0.00 0.00 0.11 -1.93 -2.33 132.00 127.15 2uww h PRO 99 Ca -0.47 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 2uww h PRO 99 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 2uww h PRO 99 CO 0.48 0.00 -0.19 0.93 -0.21 0.00 0.00 178.00 179.01 2uww h GLU 100 N 0.00 0.00 0.00 1.05 3.07 -1.99 -1.32 114.58 115.39 2uww h GLU 100 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 2uww h GLU 100 Cb 0.90 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 2uww h GLU 100 CO -0.00 0.19 0.00 0.66 -1.40 0.00 0.00 179.01 178.45 2uww n TYR 101 N -3.95 0.00 0.00 4.33 4.02 -0.88 -4.98 117.16 115.71 2uww n TYR 101 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 2uww n TYR 101 Cb 0.27 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 2uww n TYR 101 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2uww n GLY 102 N 1.31 3.21 1.43 2.72 0.00 -0.50 -1.30 105.19 112.05 2uww n GLY 102 Ca 0.11 -0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.23 2uww n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2uww n LEU 103 N 0.00 4.20 -4.82 0.99 4.77 -1.24 -1.96 117.00 118.93 2uww n LEU 103 Ca 0.00 -2.11 -0.32 0.00 -0.03 0.00 0.00 56.01 53.55 2uww n LEU 103 Cb 0.00 -0.52 0.01 0.00 -2.33 0.00 0.00 43.42 40.58 2uww n LEU 103 CO 0.00 0.85 0.71 -0.94 -1.33 0.00 0.00 177.39 176.68 2uww s SER 104 N -0.93 5.86 -0.32 -1.43 1.04 -0.42 -4.94 113.70 112.56 2uww s SER 104 Ca 0.48 1.66 0.04 0.00 0.48 0.00 0.00 55.95 58.61 2uww s SER 104 Cb 0.28 -2.51 0.53 0.00 0.10 0.00 0.00 66.02 64.43 2uww s SER 104 CO 0.28 -1.11 1.66 0.49 0.98 0.00 0.00 173.24 175.54 2uww n PHE 105 N -2.38 2.23 1.02 5.02 3.01 -1.26 -4.51 117.46 120.59 2uww n PHE 105 Ca 0.08 -1.37 0.12 0.00 1.01 0.00 0.00 57.45 57.28 2uww n PHE 105 Cb 0.53 -0.73 0.08 0.00 -0.01 0.00 0.00 39.48 39.35 2uww n PHE 105 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2uww n ALA 106 N -0.56 2.91 -1.77 4.37 0.00 -1.26 -4.95 120.51 119.26 2uww n ALA 106 Ca 0.42 -0.66 -0.40 0.00 0.00 0.00 0.00 53.44 52.80 2uww n ALA 106 Cb 1.33 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 2uww n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uww s ALA 107 N -2.20 3.34 0.62 0.00 0.00 -1.26 -5.00 121.76 117.26 2uww s ALA 107 Ca 0.24 1.09 -0.19 0.00 0.00 0.00 0.00 51.96 53.10 2uww s ALA 107 Cb 0.19 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 2uww s ALA 107 CO 0.41 -0.53 1.30 -2.30 0.00 0.00 0.00 175.76 174.64 2uww n PRO 108 N 0.56 1.28 -0.28 0.00 -0.02 -1.26 -3.77 135.00 131.51 2uww n PRO 108 Ca 0.02 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2uww n PRO 108 Cb 0.44 -2.54 0.07 0.00 -0.02 0.00 0.00 33.50 31.46 2uww n PRO 108 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2uww h LEU 109 N 0.79 -0.94 0.00 2.45 3.38 -1.93 0.15 115.31 119.21 2uww h LEU 109 Ca -0.51 0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2uww h LEU 109 Cb 1.33 0.56 0.00 0.00 0.09 0.00 0.00 40.66 42.64 2uww h LEU 109 CO 0.54 -0.28 0.00 0.29 0.09 0.00 0.00 178.44 179.08 2uww n LYS 110 N -5.50 0.07 -1.28 1.13 5.02 -1.26 -1.56 118.16 114.77 2uww n LYS 110 Ca 0.10 0.10 -0.02 0.00 -2.02 0.00 0.00 58.31 56.47 2uww n LYS 110 Cb 0.40 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.03 2uww n LYS 110 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2uww n GLU 111 N -1.45 1.81 0.00 1.97 1.02 0.42 -4.93 120.64 119.48 2uww n GLU 111 Ca 0.07 -3.31 0.00 0.00 -0.02 0.00 0.00 57.16 53.90 2uww n GLU 111 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 2uww n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2uww n GLY 112 N -0.70 1.90 0.21 0.62 0.00 -1.05 -4.26 105.19 101.92 2uww n GLY 112 Ca 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 2uww n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2uww h GLY 113 N 0.00 0.53 1.74 -0.02 0.00 -1.19 -1.32 103.07 102.81 2uww h GLY 113 Ca 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 2uww h GLY 113 CO 0.00 -0.17 -0.22 -2.00 0.00 0.00 0.00 176.54 174.15 2uww h LEU 114 N 0.10 0.30 -0.39 3.11 5.85 -1.52 -1.83 115.31 120.93 2uww h LEU 114 Ca 0.27 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2uww h LEU 114 Cb 0.42 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2uww h LEU 114 CO -0.47 0.53 0.21 -0.25 -0.34 0.00 0.00 178.44 178.13 2uww h TRP 115 N 0.28 0.53 -0.83 1.25 7.01 -1.50 -1.15 115.95 121.54 2uww h TRP 115 Ca 0.05 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.00 2uww h TRP 115 Cb 0.55 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.40 2uww h TRP 115 CO 0.01 0.41 0.38 -0.07 -2.79 0.00 0.00 178.44 176.38 2uww h LEU 116 N 0.50 1.10 0.29 0.65 3.38 -0.84 0.06 115.31 120.46 2uww h LEU 116 Ca 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2uww h LEU 116 Cb 0.06 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2uww h LEU 116 CO -0.02 0.94 -0.14 0.40 0.09 0.00 0.00 178.44 179.71 2uww h ILE 117 N 1.19 0.74 -0.72 1.22 2.04 -1.19 0.62 117.51 121.41 2uww h ILE 117 Ca 0.28 -0.28 0.14 0.00 1.00 0.00 0.00 64.86 66.00 2uww h ILE 117 Cb 0.15 0.90 -0.10 0.00 -0.74 0.00 0.00 36.82 37.03 2uww h ILE 117 CO -0.03 0.06 0.23 0.00 0.00 0.00 0.00 178.15 178.41 2uww h ALA 118 N 0.11 0.95 -0.70 1.87 0.00 -1.09 -1.66 119.26 118.75 2uww h ALA 118 Ca -0.04 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2uww h ALA 118 Cb 0.40 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2uww h ALA 118 CO 0.07 -0.27 0.17 0.77 0.00 0.00 0.00 179.25 179.99 2uww h SER 119 N 0.35 1.07 -0.23 0.00 0.02 -0.75 -0.89 113.55 113.12 2uww h SER 119 Ca 0.39 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2uww h SER 119 Cb 0.62 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 2uww h SER 119 CO -0.44 1.02 0.06 0.15 -1.14 0.00 0.00 176.83 176.49 2uww h PHE 120 N 1.06 0.11 -0.87 3.45 3.57 -0.26 0.21 116.94 124.22 2uww h PHE 120 Ca 0.22 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 2uww h PHE 120 Cb 0.37 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 2uww h PHE 120 CO 0.03 0.05 0.49 0.74 -2.23 0.00 0.00 178.31 177.39 2uww h PHE 121 N 0.16 1.18 -0.44 0.41 0.04 -0.95 -1.87 116.94 115.47 2uww h PHE 121 Ca 0.10 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 2uww h PHE 121 Cb 0.08 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 37.83 2uww h PHE 121 CO -0.14 0.80 0.21 1.98 -0.60 0.00 0.00 178.31 180.57 2uww h MET 122 N 1.21 0.63 -0.19 1.51 4.05 -0.80 -0.69 114.93 120.65 2uww h MET 122 Ca 0.31 -0.09 0.02 0.00 -0.28 0.00 0.00 59.70 59.66 2uww h MET 122 Cb -0.00 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 2uww h MET 122 CO -0.05 0.54 0.03 0.35 0.23 0.00 0.00 176.91 178.01 2uww h PHE 123 N 0.56 0.05 -0.24 1.39 3.57 -0.61 -0.94 116.94 120.73 2uww h PHE 123 Ca 0.15 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 2uww h PHE 123 Cb 0.12 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2uww h PHE 123 CO -0.01 0.01 -0.36 -0.39 -2.23 0.00 0.00 178.31 175.34 2uww h VAL 124 N 0.10 1.29 -0.16 1.41 -1.51 -1.26 -2.27 116.25 113.85 2uww h VAL 124 Ca 0.08 -1.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.07 2uww h VAL 124 Cb 0.08 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 2uww h VAL 124 CO -0.12 0.47 0.10 0.00 -1.23 0.00 0.00 177.57 176.79 2uww h ALA 125 N 1.18 0.21 -0.06 5.19 0.00 -0.75 -1.20 119.26 123.82 2uww h ALA 125 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2uww h ALA 125 Cb 0.83 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2uww h ALA 125 CO 0.07 -0.30 -0.05 0.28 0.00 0.00 0.00 179.25 179.25 2uww h VAL 126 N 0.21 1.36 -0.42 0.00 2.07 -1.19 -1.13 116.25 117.15 2uww h VAL 126 Ca 0.06 -1.15 -0.10 0.00 0.82 0.00 0.00 66.70 66.32 2uww h VAL 126 Cb -0.01 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2uww h VAL 126 CO -0.01 0.32 -0.16 -0.50 0.02 0.00 0.00 177.57 177.23 2uww h TRP 127 N -0.27 0.87 -0.10 1.57 4.06 -1.43 0.11 115.95 120.76 2uww h TRP 127 Ca 0.01 -0.18 -0.11 0.00 2.06 0.00 0.00 58.89 60.67 2uww h TRP 127 Cb 0.53 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.46 2uww h TRP 127 CO 0.08 0.89 -0.43 0.66 -3.56 0.00 0.00 178.44 176.08 2uww h SER 128 N 0.70 0.25 -0.46 -3.49 4.64 -1.26 -0.76 113.55 113.17 2uww h SER 128 Ca 0.11 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2uww h SER 128 Cb 0.66 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 2uww h SER 128 CO 0.05 0.65 0.02 -0.25 -0.87 0.00 0.00 176.83 176.43 2uww h TRP 129 N 0.20 0.93 -0.43 4.77 2.91 -0.60 -1.97 115.95 121.75 2uww h TRP 129 Ca 0.02 -0.13 -0.02 0.00 1.13 0.00 0.00 58.89 59.88 2uww h TRP 129 Cb 0.85 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 29.22 2uww h TRP 129 CO 0.01 0.84 0.18 2.35 -1.03 0.00 0.00 178.44 180.79 2uww h TRP 130 N 0.81 0.64 -0.66 2.65 7.01 -0.29 -2.02 115.95 124.09 2uww h TRP 130 Ca 0.16 -0.04 0.12 0.00 2.11 0.00 0.00 58.89 61.24 2uww h TRP 130 Cb 0.46 -0.19 -0.09 0.00 -2.10 0.00 0.00 29.16 27.24 2uww h TRP 130 CO 0.03 0.54 0.19 0.78 -2.79 0.00 0.00 178.44 177.19 2uww h GLY 131 N 0.55 0.90 1.11 2.65 0.00 -0.90 -1.76 103.07 105.63 2uww h GLY 131 Ca 0.14 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.41 2uww h GLY 131 CO -0.01 -0.10 0.60 -0.09 0.00 0.00 0.00 176.54 176.93 2uww h ARG 132 N 0.33 1.19 -0.37 4.80 2.43 -0.97 -0.46 114.38 121.33 2uww h ARG 132 Ca 0.35 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.37 2uww h ARG 132 Cb 0.52 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2uww h ARG 132 CO -0.40 0.79 -0.10 1.79 -1.51 0.00 0.00 179.97 180.54 2uww h THR 133 N 1.23 1.24 0.12 0.20 1.35 -0.61 -0.62 112.91 115.82 2uww h THR 133 Ca 0.33 -1.08 -0.01 0.00 -0.55 0.00 0.00 66.41 65.11 2uww h THR 133 Cb -0.14 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 2uww h THR 133 CO -0.07 0.36 -0.06 0.22 -0.25 0.00 0.00 175.52 175.73 2uww h TYR 134 N 0.59 -0.14 -0.42 4.73 5.03 -1.05 -3.19 116.97 122.52 2uww h TYR 134 Ca 0.11 -0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.32 2uww h TYR 134 Cb 0.53 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.84 2uww h TYR 134 CO 0.02 0.23 -0.12 -0.07 -1.32 0.00 0.00 178.16 176.90 2uww h LEU 135 N -0.54 0.74 -0.94 2.82 3.38 -1.01 -0.48 115.31 119.29 2uww h LEU 135 Ca -0.02 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 2uww h LEU 135 Cb 0.43 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2uww h LEU 135 CO 0.03 0.88 -0.07 0.03 0.09 0.00 0.00 178.44 179.40 2uww h ARG 136 N 0.68 0.69 -0.17 1.13 2.47 -1.24 -1.29 114.38 116.65 2uww h ARG 136 Ca 0.11 -0.20 -0.07 0.00 -1.26 0.00 0.00 59.98 58.56 2uww h ARG 136 Cb 0.59 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.84 2uww h ARG 136 CO 0.04 0.76 -0.18 0.00 0.56 0.00 0.00 179.97 181.15 2uww h ALA 137 N 1.28 0.26 -0.31 0.04 0.00 -1.48 -3.07 119.26 115.98 2uww h ALA 137 Ca 0.12 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.73 2uww h ALA 137 Cb 0.51 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2uww h ALA 137 CO 0.03 0.17 0.02 0.37 0.00 0.00 0.00 179.25 179.84 2uww h GLN 138 N 0.08 0.11 0.00 0.00 4.15 -0.98 -0.57 115.11 117.90 2uww h GLN 138 Ca 0.03 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 2uww h GLN 138 Cb 0.72 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.38 2uww h GLN 138 CO 0.04 0.07 -0.07 0.00 -1.93 0.00 0.00 178.83 176.95 2uww h ALA 139 N 1.25 1.20 -0.01 3.38 0.00 -1.28 -0.59 119.26 123.20 2uww h ALA 139 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2uww h ALA 139 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2uww h ALA 139 CO -0.23 0.09 -0.20 1.28 0.00 0.00 0.00 179.25 180.19 2uww n LEU 140 N -3.47 1.67 -0.01 0.00 4.77 -0.68 -1.06 117.00 118.21 2uww n LEU 140 Ca -0.02 -0.54 -0.00 0.00 -0.03 0.00 0.00 56.01 55.42 2uww n LEU 140 Cb 0.21 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2uww n LEU 140 CO 0.28 0.29 -0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2uww n GLY 141 N 1.32 0.46 3.89 -0.72 0.00 -0.23 -4.90 105.19 105.01 2uww n GLY 141 Ca 0.14 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2uww n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2uww s MET 142 N -0.38 3.60 1.15 1.61 1.00 -0.31 -5.00 119.30 120.98 2uww s MET 142 Ca 0.00 0.42 -0.13 0.00 0.00 0.00 0.00 55.69 55.98 2uww s MET 142 Cb 0.00 -2.28 0.27 0.00 0.00 0.00 0.00 34.83 32.82 2uww s MET 142 CO 0.00 -0.29 1.04 0.20 0.00 0.00 0.00 175.02 175.96 2uww s GLY 143 N -3.98 1.55 -0.29 -0.03 0.00 -1.26 -4.40 107.32 98.91 2uww s GLY 143 Ca 0.50 -0.16 0.11 0.00 0.00 0.00 0.00 44.72 45.18 2uww s GLY 143 CO 0.45 0.55 1.70 0.28 0.00 0.00 0.00 173.10 176.09 2uww n LYS 144 N -4.84 3.50 -0.27 2.90 4.76 -1.26 -4.65 118.16 118.30 2uww n LYS 144 Ca 0.03 -3.07 0.01 0.00 -2.87 0.00 0.00 58.31 52.41 2uww n LYS 144 Cb 0.55 -2.12 0.22 0.00 -1.84 0.00 0.00 35.03 31.84 2uww n LYS 144 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2uww h HIS 145 N 2.46 1.02 0.15 2.13 3.86 -1.97 -1.21 115.15 121.60 2uww h HIS 145 Ca 0.19 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 2uww h HIS 145 Cb 2.09 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 30.21 2uww h HIS 145 CO 1.11 0.62 -0.07 1.15 0.86 0.00 0.00 177.93 181.60 2uww h THR 146 N 1.08 0.92 -0.88 2.45 2.02 -1.92 0.11 112.91 116.69 2uww h THR 146 Ca 0.32 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 67.21 2uww h THR 146 Cb -0.05 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 2uww h THR 146 CO -0.08 0.07 0.58 0.00 0.37 0.00 0.00 175.52 176.47 2uww h ALA 147 N 0.47 1.38 -0.33 6.16 0.00 -1.71 0.14 119.26 125.37 2uww h ALA 147 Ca -0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2uww h ALA 147 Cb 0.28 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2uww h ALA 147 CO 0.03 0.57 0.03 -1.49 0.00 0.00 0.00 179.25 178.39 2uww h TRP 148 N 1.18 0.60 -0.64 0.00 -0.00 -0.98 -1.74 115.95 114.38 2uww h TRP 148 Ca 0.33 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.89 59.11 2uww h TRP 148 Cb -0.12 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.16 28.85 2uww h TRP 148 CO -0.00 0.66 0.36 0.00 -0.00 0.00 0.00 178.44 179.46 2uww h ALA 149 N 0.87 0.81 -0.42 1.49 0.00 -0.30 -2.84 119.26 118.88 2uww h ALA 149 Ca 0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2uww h ALA 149 Cb 0.40 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2uww h ALA 149 CO 0.01 0.32 0.14 0.35 0.00 0.00 0.00 179.25 180.07 2uww h PHE 150 N 0.87 0.60 -0.37 0.00 3.57 -0.64 -1.95 116.94 119.02 2uww h PHE 150 Ca 0.23 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2uww h PHE 150 Cb 0.02 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2uww h PHE 150 CO -0.01 0.49 0.24 1.25 -2.23 0.00 0.00 178.31 178.05 2uww h LEU 151 N 0.60 0.43 -0.62 0.59 5.85 -1.07 -0.60 115.31 120.49 2uww h LEU 151 Ca 0.14 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 2uww h LEU 151 Cb 0.16 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2uww h LEU 151 CO -0.01 0.32 0.17 -1.28 -0.34 0.00 0.00 178.44 177.30 2uww h SER 152 N 0.51 0.92 -0.46 1.25 0.87 -1.31 -0.04 113.55 115.28 2uww h SER 152 Ca 0.14 -0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.42 2uww h SER 152 Cb -0.04 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 2uww h SER 152 CO -0.03 0.90 0.09 0.00 -0.53 0.00 0.00 176.83 177.25 2uww h ALA 153 N 1.06 0.61 -0.76 6.23 0.00 -1.37 -2.91 119.26 122.12 2uww h ALA 153 Ca 0.20 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2uww h ALA 153 Cb 0.32 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2uww h ALA 153 CO -0.00 0.32 0.50 0.82 0.00 0.00 0.00 179.25 180.89 2uww h ILE 154 N 0.63 1.10 -0.16 0.00 2.04 -0.96 -2.39 117.51 117.77 2uww h ILE 154 Ca 0.14 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.72 2uww h ILE 154 Cb 0.37 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 2uww h ILE 154 CO 0.01 0.17 -0.05 -0.25 0.00 0.00 0.00 178.15 178.02 2uww h TRP 155 N 0.91 -0.12 -0.21 1.37 2.91 -0.80 0.31 115.95 120.31 2uww h TRP 155 Ca 0.31 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.33 2uww h TRP 155 Cb 0.09 0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.81 2uww h TRP 155 CO -0.00 -0.09 0.10 1.25 -1.03 0.00 0.00 178.44 178.67 2uww h LEU 156 N -0.02 0.28 -0.49 0.65 5.85 -1.43 0.24 115.31 120.40 2uww h LEU 156 Ca 0.08 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.75 2uww h LEU 156 Cb 0.15 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 2uww h LEU 156 CO -0.18 0.34 0.10 -0.25 -0.34 0.00 0.00 178.44 178.11 2uww h TRP 157 N 0.21 0.16 -0.71 1.25 7.01 -1.18 -0.42 115.95 122.27 2uww h TRP 157 Ca 0.07 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.03 2uww h TRP 157 Cb 0.14 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.17 2uww h TRP 157 CO -0.02 -0.00 0.15 0.52 -2.79 0.00 0.00 178.44 176.30 2uww h MET 158 N 0.23 1.14 -0.02 2.65 2.86 -0.20 -1.88 114.93 119.71 2uww h MET 158 Ca 0.24 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2uww h MET 158 Cb 0.32 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2uww h MET 158 CO -0.32 1.02 0.01 0.28 1.06 0.00 0.00 176.91 178.95 2uww h VAL 159 N 1.08 0.99 -0.19 -2.22 2.07 -0.40 0.19 116.25 117.77 2uww h VAL 159 Ca 0.22 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 2uww h VAL 159 Cb 0.40 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2uww h VAL 159 CO 0.01 0.00 0.08 -0.07 0.02 0.00 0.00 177.57 177.61 2uww h LEU 160 N 0.02 0.26 0.00 2.57 3.38 -0.90 -1.20 115.31 119.44 2uww h LEU 160 Ca 0.01 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2uww h LEU 160 Cb 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2uww h LEU 160 CO -0.01 0.34 -1.32 0.61 0.09 0.00 0.00 178.44 178.15 2uww n GLY 161 N -0.74 -1.07 1.66 0.83 0.00 -0.72 -4.27 105.19 100.88 2uww n GLY 161 Ca -0.04 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2uww n GLY 161 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2uww n PHE 162 N -1.88 -0.63 -0.10 1.61 7.35 -0.24 -4.77 117.46 118.79 2uww n PHE 162 Ca 0.01 0.11 -0.10 0.00 -0.76 0.00 0.00 57.45 56.71 2uww n PHE 162 Cb 0.44 0.35 -0.02 0.00 0.35 0.00 0.00 39.48 40.59 2uww n PHE 162 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2uww h ILE 163 N 0.00 1.20 0.01 -2.13 2.04 -0.79 -1.12 117.51 116.72 2uww h ILE 163 Ca 0.00 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 2uww h ILE 163 Cb 0.00 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2uww h ILE 163 CO 0.00 0.22 -0.00 -0.09 0.00 0.00 0.00 178.15 178.27 2uww h ARG 164 N 0.36 -0.01 -0.78 2.37 2.43 -1.41 -0.89 114.38 116.45 2uww h ARG 164 Ca 0.10 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.40 2uww h ARG 164 Cb 0.23 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.70 2uww h ARG 164 CO -0.00 0.41 0.39 -1.35 -1.51 0.00 0.00 179.97 177.91 2uww h PRO 165 N -0.44 0.58 -0.34 0.20 0.11 -1.75 0.16 132.00 130.51 2uww h PRO 165 Ca -0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 2uww h PRO 165 Cb 0.43 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 2uww h PRO 165 CO 0.00 0.39 0.19 0.82 -0.21 0.00 0.00 178.00 179.19 2uww h ILE 166 N 0.60 1.13 -0.07 4.15 2.04 -1.09 -0.29 117.51 123.98 2uww h ILE 166 Ca 0.41 -0.34 -0.08 0.00 1.00 0.00 0.00 64.86 65.85 2uww h ILE 166 Cb 0.51 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2uww h ILE 166 CO -0.32 0.13 -0.31 -0.07 0.00 0.00 0.00 178.15 177.58 2uww h LEU 167 N 0.43 0.12 -0.06 1.44 3.38 -0.40 -2.25 115.31 117.97 2uww h LEU 167 Ca 0.12 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2uww h LEU 167 Cb 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2uww h LEU 167 CO -0.02 0.43 0.00 0.24 0.09 0.00 0.00 178.44 179.18 2uww h MET 168 N 0.11 0.00 0.00 1.13 2.86 -0.35 -3.48 114.93 115.20 2uww h MET 168 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2uww h MET 168 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2uww h MET 168 CO 0.04 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.42 2uww n GLY 169 N 1.13 0.71 3.62 8.32 0.00 -0.18 -5.06 105.19 113.73 2uww n GLY 169 Ca 0.05 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 2uww n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uww s SER 170 N -2.41 -0.54 0.56 1.61 1.04 -0.84 -3.63 113.70 109.49 2uww s SER 170 Ca 0.00 0.97 0.36 0.00 0.48 0.00 0.00 55.95 57.76 2uww s SER 170 Cb 0.00 0.96 1.61 0.00 0.10 0.00 0.00 66.02 68.69 2uww s SER 170 CO 0.00 -0.23 2.06 -0.50 0.98 0.00 0.00 173.24 175.55 2uww h TRP 171 N 4.18 0.00 -0.03 5.02 -0.00 -1.65 -2.96 115.95 120.51 2uww h TRP 171 Ca -0.27 0.00 0.01 0.00 -0.00 0.00 0.00 58.89 58.63 2uww h TRP 171 Cb 1.17 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 30.33 2uww h TRP 171 CO 0.34 0.00 0.09 0.66 -0.00 0.00 0.00 178.44 179.53 2uww h SER 172 N 0.00 0.00 1.25 -3.49 4.64 -1.80 -0.72 113.55 113.43 2uww h SER 172 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2uww h SER 172 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2uww h SER 172 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 2uww n GLU 173 N -3.30 0.24 -1.76 4.77 -0.58 -1.12 -4.89 120.64 114.01 2uww n GLU 173 Ca -0.02 0.28 -0.29 0.00 -0.42 0.00 0.00 57.16 56.71 2uww n GLU 173 Cb 0.17 -1.83 0.14 0.00 -0.57 0.00 0.00 31.44 29.36 2uww n GLU 173 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2uww s ALA 174 N -3.17 2.14 0.06 0.62 0.00 -0.28 -4.84 121.76 116.30 2uww s ALA 174 Ca 0.09 -0.82 -0.24 0.00 0.00 0.00 0.00 51.96 50.99 2uww s ALA 174 Cb 0.11 -2.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.26 2uww s ALA 174 CO 0.53 -2.22 0.74 0.08 0.00 0.00 0.00 175.76 174.90 2uww s VAL 175 N -3.56 4.68 0.53 0.00 1.01 -1.26 -4.85 120.40 116.95 2uww s VAL 175 Ca 0.67 1.58 -0.19 0.00 0.00 0.00 0.00 61.98 64.04 2uww s VAL 175 Cb -0.10 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 2uww s VAL 175 CO 0.52 0.41 1.08 -2.16 0.00 0.00 0.00 175.10 174.94 2uww s PRO 176 N -0.32 3.52 -0.64 2.72 0.04 -1.26 -4.80 135.00 134.26 2uww s PRO 176 Ca 0.37 1.44 -0.24 0.00 0.04 0.00 0.00 61.00 62.60 2uww s PRO 176 Cb -0.21 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.34 2uww s PRO 176 CO 0.23 -0.67 1.03 0.71 0.04 0.00 0.00 177.00 178.33 2uww s TYR 177 N -1.98 2.63 -0.23 0.56 1.51 0.32 -4.43 117.35 115.72 2uww s TYR 177 Ca 0.69 -0.26 -0.29 0.00 -1.01 0.00 0.00 57.07 56.19 2uww s TYR 177 Cb -0.19 -4.30 0.16 0.00 -0.11 0.00 0.00 41.96 37.52 2uww s TYR 177 CO 0.26 -1.65 1.21 0.20 -1.11 0.00 0.00 175.55 174.46 2uww s GLY 178 N 3.42 -0.05 0.00 0.71 0.00 -1.26 -0.65 107.32 109.49 2uww s GLY 178 Ca 0.28 2.53 -0.04 0.00 0.00 0.00 0.00 44.72 47.49 2uww s GLY 178 CO 0.14 1.11 0.76 -2.22 0.00 0.00 0.00 173.10 172.89 2uww h ILE 179 N 2.32 0.00 -0.71 0.90 1.08 -1.75 -2.40 117.51 116.95 2uww h ILE 179 Ca -0.13 -0.04 -0.07 0.00 -0.39 0.00 0.00 64.86 64.23 2uww h ILE 179 Cb 1.18 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.90 2uww h ILE 179 CO 0.25 0.00 0.18 -0.26 -0.69 0.00 0.00 178.15 177.63 2uww h PHE 180 N -0.17 1.19 -0.33 1.37 0.04 -1.54 -3.17 116.94 114.33 2uww h PHE 180 Ca -0.01 -0.14 -0.05 0.00 2.80 0.00 0.00 57.97 60.57 2uww h PHE 180 Cb 0.10 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 2uww h PHE 180 CO 0.14 0.96 0.00 0.66 -0.60 0.00 0.00 178.31 179.47 2uww h SER 181 N 1.07 0.47 0.11 2.17 4.64 -1.78 -0.47 113.55 119.76 2uww h SER 181 Ca 0.22 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.38 2uww h SER 181 Cb 0.36 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2uww h SER 181 CO 0.00 0.54 -0.27 1.12 -0.87 0.00 0.00 176.83 177.35 2uww h HIS 182 N 0.49 0.29 -0.14 4.77 2.07 -1.40 0.42 115.15 121.65 2uww h HIS 182 Ca 0.11 -0.06 -0.04 0.00 -2.85 0.00 0.00 60.37 57.53 2uww h HIS 182 Cb 0.31 -0.07 -0.00 0.00 2.57 0.00 0.00 27.41 30.21 2uww h HIS 182 CO 0.01 0.52 -0.05 -0.07 -3.07 0.00 0.00 177.93 175.27 2uww h LEU 183 N 0.24 0.29 -0.68 6.12 3.38 -1.43 -1.74 115.31 121.49 2uww h LEU 183 Ca 0.04 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.67 2uww h LEU 183 Cb 0.61 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 2uww h LEU 183 CO 0.04 0.61 0.40 0.44 0.09 0.00 0.00 178.44 180.03 2uww h ASP 184 N -0.03 0.63 -0.68 -0.43 3.32 -0.82 -1.57 116.42 116.84 2uww h ASP 184 Ca 0.03 0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.22 2uww h ASP 184 Cb 0.49 -0.11 -0.08 0.00 0.22 0.00 0.00 39.33 39.85 2uww h ASP 184 CO 0.02 0.42 0.26 -0.25 -1.72 0.00 0.00 179.24 177.96 2uww h TRP 185 N 0.76 0.44 -0.13 4.55 7.01 -0.80 -0.18 115.95 127.60 2uww h TRP 185 Ca 0.29 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.31 2uww h TRP 185 Cb 0.12 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 2uww h TRP 185 CO -0.06 0.08 0.03 1.15 -2.79 0.00 0.00 178.44 176.85 2uww h THR 186 N 0.43 1.20 -0.07 2.65 2.02 -0.61 0.28 112.91 118.81 2uww h THR 186 Ca 0.36 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.90 2uww h THR 186 Cb 0.49 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2uww h THR 186 CO -0.35 0.19 0.00 -1.13 0.37 0.00 0.00 175.52 174.60 2uww h ASN 187 N 0.01 -0.02 -0.80 4.18 -0.00 -1.18 -2.87 115.58 114.90 2uww h ASN 187 Ca 0.04 0.01 0.06 0.00 -0.00 0.00 0.00 56.30 56.41 2uww h ASN 187 Cb 0.27 0.02 -0.06 0.00 -0.00 0.00 0.00 38.32 38.55 2uww h ASN 187 CO 0.00 0.00 0.48 -1.13 -0.00 0.00 0.00 177.43 176.79 2uww h ASN 188 N 0.03 0.75 -0.68 1.15 -0.73 -0.91 -2.00 115.58 113.20 2uww h ASN 188 Ca 0.03 0.02 0.07 0.00 1.87 0.00 0.00 56.30 58.30 2uww h ASN 188 Cb 0.03 -0.14 -0.06 0.00 0.27 0.00 0.00 38.32 38.42 2uww h ASN 188 CO -0.05 0.49 0.35 0.15 -0.37 0.00 0.00 177.43 178.00 2uww h PHE 189 N 0.89 0.64 -0.12 0.67 3.04 -0.74 -0.10 116.94 121.22 2uww h PHE 189 Ca 0.35 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.29 2uww h PHE 189 Cb 0.16 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.48 2uww h PHE 189 CO -0.04 0.27 -0.05 1.03 -2.02 0.00 0.00 178.31 177.50 2uww h SER 190 N 0.63 0.25 -0.34 0.41 0.87 -1.26 -2.25 113.55 111.85 2uww h SER 190 Ca 0.32 -0.40 0.05 0.00 -1.23 0.00 0.00 61.79 60.54 2uww h SER 190 Cb 0.27 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.11 2uww h SER 190 CO -0.22 0.59 0.04 -0.07 -0.53 0.00 0.00 176.83 176.64 2uww h LEU 191 N -0.10 -0.05 -1.54 2.23 4.07 -0.97 0.19 115.31 119.14 2uww h LEU 191 Ca 0.03 0.07 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 2uww h LEU 191 Cb 0.49 0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.33 2uww h LEU 191 CO 0.02 0.01 -0.12 0.58 -1.08 0.00 0.00 178.44 177.84 2uww h VAL 192 N 0.15 0.37 -0.44 1.22 2.07 -1.04 -2.98 116.25 115.60 2uww h VAL 192 Ca 0.16 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2uww h VAL 192 Cb 0.20 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2uww h VAL 192 CO -0.24 0.12 0.00 1.41 0.02 0.00 0.00 177.57 178.88 2uww n HIS 193 N -3.36 1.55 -2.05 1.57 8.25 -0.85 -4.84 115.22 115.49 2uww n HIS 193 Ca -0.00 -0.78 -0.04 0.00 -0.26 0.00 0.00 57.72 56.63 2uww n HIS 193 Cb 0.32 -0.41 -0.00 0.00 1.12 0.00 0.00 29.99 31.02 2uww n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2uww n GLY 194 N 0.17 0.20 0.97 -1.41 0.00 -1.01 -0.42 105.19 103.70 2uww n GLY 194 Ca 0.25 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2uww n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2uww n ASN 195 N 1.14 -1.82 0.23 1.61 2.85 0.63 -3.28 115.26 116.63 2uww n ASN 195 Ca -0.05 0.00 0.16 0.00 -0.11 0.00 0.00 54.58 54.58 2uww n ASN 195 Cb 0.53 -0.91 0.77 0.00 1.24 0.00 0.00 39.78 41.41 2uww n ASN 195 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2uww h LEU 196 N 0.00 0.00 -2.13 1.20 3.38 -1.84 -1.53 115.31 114.39 2uww h LEU 196 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2uww h LEU 196 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2uww h LEU 196 CO 0.00 0.00 0.13 -0.26 0.09 0.00 0.00 178.44 178.40 2uww h PHE 197 N 0.00 0.00 -0.02 1.13 0.04 -1.96 0.36 116.94 116.50 2uww h PHE 197 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2uww h PHE 197 Cb 0.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.34 2uww h PHE 197 CO 0.00 0.00 -0.17 0.66 -0.60 0.00 0.00 178.31 178.20 2uww n TYR 198 N -2.73 0.00 -3.05 -0.55 4.01 -0.58 -4.80 117.16 109.46 2uww n TYR 198 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 2uww n TYR 198 Cb 0.18 -0.03 -0.06 0.00 -0.31 0.00 0.00 39.34 39.13 2uww n TYR 198 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2uww s ASN 199 N -2.23 6.46 0.46 7.72 3.04 0.11 -4.71 114.94 125.79 2uww s ASN 199 Ca 0.28 0.16 0.13 0.00 0.04 0.00 0.00 52.86 53.47 2uww s ASN 199 Cb 0.20 -2.36 1.03 0.00 -1.54 0.00 0.00 41.25 38.58 2uww s ASN 199 CO 0.42 -0.68 2.05 1.55 -3.04 0.00 0.00 177.10 177.40 2uww h PRO 200 N 8.54 0.14 0.00 0.43 0.13 -1.87 -0.95 132.00 138.43 2uww h PRO 200 Ca -0.26 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.79 2uww h PRO 200 Cb 1.10 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2uww h PRO 200 CO 0.88 0.18 -0.33 0.74 -0.23 0.00 0.00 178.00 179.24 2uww h PHE 201 N 0.14 0.00 -0.20 1.56 0.04 -1.92 -1.24 116.94 115.33 2uww h PHE 201 Ca 0.03 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.67 2uww h PHE 201 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2uww h PHE 201 CO 0.00 0.33 -0.39 1.25 -0.60 0.00 0.00 178.31 178.91 2uww h HIS 202 N 0.00 0.77 -0.46 -0.55 2.76 -1.46 -1.29 115.15 114.92 2uww h HIS 202 Ca -0.00 -0.28 -0.05 0.00 -2.20 0.00 0.00 60.37 57.84 2uww h HIS 202 Cb 0.65 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 2uww h HIS 202 CO 0.00 1.03 0.09 0.78 -1.30 0.00 0.00 177.93 178.53 2uww h GLY 203 N 0.28 0.75 0.82 5.26 0.00 -1.20 -1.01 103.07 107.97 2uww h GLY 203 Ca 0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 2uww h GLY 203 CO 0.09 0.40 -0.09 1.41 0.00 0.00 0.00 176.54 178.34 2uww h LEU 204 N 0.67 0.45 -0.97 3.11 4.07 -1.22 -0.73 115.31 120.68 2uww h LEU 204 Ca 0.15 -0.40 0.07 0.00 0.08 0.00 0.00 57.88 57.78 2uww h LEU 204 Cb 0.29 -0.12 -0.07 0.00 1.08 0.00 0.00 40.66 41.83 2uww h LEU 204 CO 0.00 0.75 0.62 -1.28 -1.08 0.00 0.00 178.44 177.45 2uww h SER 205 N 0.15 0.98 -0.43 -0.43 0.87 -0.90 0.11 113.55 113.90 2uww h SER 205 Ca 0.05 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 2uww h SER 205 Cb 0.57 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2uww h SER 205 CO 0.03 0.61 -0.02 0.40 -0.53 0.00 0.00 176.83 177.32 2uww h ILE 206 N 1.11 1.26 -0.57 2.23 2.04 -1.01 0.07 117.51 122.64 2uww h ILE 206 Ca 0.43 -1.07 0.05 0.00 1.00 0.00 0.00 64.86 65.28 2uww h ILE 206 Cb 0.22 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 2uww h ILE 206 CO -0.19 0.36 0.29 0.00 0.00 0.00 0.00 178.15 178.62 2uww h ALA 207 N 0.89 0.74 -0.23 1.87 0.00 0.35 0.41 119.26 123.28 2uww h ALA 207 Ca 0.12 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2uww h ALA 207 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2uww h ALA 207 CO 0.03 -0.05 -0.27 0.74 0.00 0.00 0.00 179.25 179.70 2uww h PHE 208 N 0.56 0.51 -0.05 0.00 0.04 -0.91 0.31 116.94 117.40 2uww h PHE 208 Ca 0.25 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 2uww h PHE 208 Cb 0.16 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 2uww h PHE 208 CO -0.10 0.68 -0.02 1.25 -0.60 0.00 0.00 178.31 179.52 2uww h LEU 209 N 0.40 0.11 -0.60 1.54 5.85 -0.31 0.32 115.31 122.62 2uww h LEU 209 Ca 0.06 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 2uww h LEU 209 Cb 0.68 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 2uww h LEU 209 CO 0.05 0.48 0.20 1.88 -0.34 0.00 0.00 178.44 180.72 2uww h TYR 210 N -0.27 0.95 -0.15 1.25 0.05 -0.97 -2.79 116.97 115.05 2uww h TYR 210 Ca 0.01 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.67 2uww h TYR 210 Cb 0.44 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 2uww h TYR 210 CO 0.06 0.78 -0.05 0.78 -1.05 0.00 0.00 178.16 178.68 2uww h GLY 211 N 0.84 0.23 1.20 3.88 0.00 -0.24 0.21 103.07 109.20 2uww h GLY 211 Ca 0.19 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 2uww h GLY 211 CO -0.01 0.11 0.13 1.76 0.00 0.00 0.00 176.54 178.53 2uww h SER 212 N 0.21 0.94 -0.03 0.19 0.02 -0.09 0.78 113.55 115.56 2uww h SER 212 Ca 0.05 -0.20 -0.26 0.00 -0.84 0.00 0.00 61.79 60.55 2uww h SER 212 Cb 0.23 -0.25 0.02 0.00 0.14 0.00 0.00 62.40 62.54 2uww h SER 212 CO 0.01 0.92 -0.97 0.00 -1.14 0.00 0.00 176.83 175.65 2uww h ALA 213 N 1.19 0.18 -0.05 3.77 0.00 -1.16 0.01 119.26 123.20 2uww h ALA 213 Ca 0.20 -0.67 0.03 0.00 0.00 0.00 0.00 54.91 54.46 2uww h ALA 213 Cb 0.37 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2uww h ALA 213 CO 0.01 0.69 -0.11 1.25 0.00 0.00 0.00 179.25 181.08 2uww h LEU 214 N 0.43 -0.34 -0.34 0.00 5.85 -0.90 -0.59 115.31 119.44 2uww h LEU 214 Ca -0.11 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.56 2uww h LEU 214 Cb 1.62 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 2uww h LEU 214 CO 0.19 -0.16 -0.22 0.25 -0.34 0.00 0.00 178.44 178.16 2uww h LEU 215 N -0.17 0.78 -0.90 2.25 5.85 -0.82 0.17 115.31 122.46 2uww h LEU 215 Ca 0.06 -0.43 -0.09 0.00 0.84 0.00 0.00 57.88 58.26 2uww h LEU 215 Cb 0.25 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2uww h LEU 215 CO -0.15 1.04 -0.12 0.15 -0.34 0.00 0.00 178.44 179.02 2uww h PHE 216 N 0.52 0.74 -0.13 1.25 3.04 -1.00 0.20 116.94 121.54 2uww h PHE 216 Ca 0.07 -0.13 -0.01 0.00 3.98 0.00 0.00 57.97 61.88 2uww h PHE 216 Cb 0.78 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 2uww h PHE 216 CO 0.06 0.76 0.06 0.00 -2.02 0.00 0.00 178.31 177.18 2uww h ALA 217 N 1.25 0.17 -0.00 2.41 0.00 -0.87 0.19 119.26 122.42 2uww h ALA 217 Ca 0.11 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2uww h ALA 217 Cb 0.56 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2uww h ALA 217 CO 0.04 -0.25 -0.26 0.52 0.00 0.00 0.00 179.25 179.30 2uww h MET 218 N 0.07 -0.38 -0.05 0.00 2.86 -0.69 -1.49 114.93 115.25 2uww h MET 218 Ca 0.05 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2uww h MET 218 Cb 0.15 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 2uww h MET 218 CO -0.00 -0.25 -0.05 1.25 1.06 0.00 0.00 176.91 178.91 2uww h HIS 219 N -0.40 0.15 -0.58 -0.22 -0.00 -0.52 -0.39 115.15 113.19 2uww h HIS 219 Ca 0.06 -0.04 0.06 0.00 -0.00 0.00 0.00 60.37 60.45 2uww h HIS 219 Cb 0.48 -0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 27.80 2uww h HIS 219 CO -0.29 0.57 0.27 0.78 -0.00 0.00 0.00 177.93 179.26 2uww h GLY 220 N -0.32 0.82 1.10 5.26 0.00 -0.68 -1.10 103.07 108.15 2uww h GLY 220 Ca 0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 2uww h GLY 220 CO 0.01 0.08 -0.00 0.00 0.00 0.00 0.00 176.54 176.63 2uww h ALA 221 N 1.34 0.84 0.19 3.60 0.00 -1.18 -2.05 119.26 122.00 2uww h ALA 221 Ca 0.27 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2uww h ALA 221 Cb 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2uww h ALA 221 CO -0.21 0.67 -0.09 1.15 0.00 0.00 0.00 179.25 180.77 2uww h THR 222 N 0.98 0.86 -0.52 0.00 2.02 -0.67 0.24 112.91 115.82 2uww h THR 222 Ca 0.17 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 67.11 2uww h THR 222 Cb 0.57 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 2uww h THR 222 CO 0.03 0.06 0.31 0.40 0.37 0.00 0.00 175.52 176.70 2uww h ILE 223 N -0.39 1.05 -0.73 3.11 1.08 -1.21 -0.19 117.51 120.23 2uww h ILE 223 Ca -0.03 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.22 2uww h ILE 223 Cb 0.30 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.39 2uww h ILE 223 CO 0.04 0.11 0.41 -0.07 -0.69 0.00 0.00 178.15 177.96 2uww h LEU 224 N 0.62 0.90 -1.56 1.44 3.38 -1.26 0.49 115.31 119.32 2uww h LEU 224 Ca 0.21 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2uww h LEU 224 Cb 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2uww h LEU 224 CO -0.10 0.72 0.12 0.00 0.09 0.00 0.00 178.44 179.28 2uww h ALA 225 N 1.21 1.66 -0.63 1.53 0.00 0.54 -2.18 119.26 121.38 2uww h ALA 225 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2uww h ALA 225 Cb 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2uww h ALA 225 CO -0.04 0.28 0.00 1.33 0.00 0.00 0.00 179.25 180.81 2uww n VAL 226 N -4.42 1.79 0.27 0.00 0.24 -0.19 -4.48 118.33 111.55 2uww n VAL 226 Ca 0.01 -1.22 0.15 0.00 -2.04 0.00 0.00 64.34 61.25 2uww n VAL 226 Cb 0.13 0.14 0.76 0.00 -1.47 0.00 0.00 33.84 33.40 2uww n VAL 226 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2uww h SER 227 N 3.93 0.00 0.15 -1.34 4.64 -0.22 -0.72 113.55 119.99 2uww h SER 227 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2uww h SER 227 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 2uww h SER 227 CO 0.21 0.09 0.00 -2.11 -0.87 0.00 0.00 176.83 174.15 2uww n ARG 228 N -3.39 0.18 -0.15 4.77 1.85 -1.26 -1.56 116.66 117.10 2uww n ARG 228 Ca -0.01 0.15 0.08 0.00 -1.00 0.00 0.00 57.85 57.06 2uww n ARG 228 Cb 0.25 -1.50 0.11 0.00 -1.05 0.00 0.00 32.46 30.27 2uww n ARG 228 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2uww n PHE 229 N -1.23 0.00 -1.40 2.89 3.01 -0.37 -4.98 117.46 115.38 2uww n PHE 229 Ca 0.06 -0.78 -0.04 0.00 1.01 0.00 0.00 57.45 57.70 2uww n PHE 229 Cb 0.07 -0.13 -0.01 0.00 -0.01 0.00 0.00 39.48 39.41 2uww n PHE 229 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2uww n GLY 230 N -1.11 0.53 0.39 1.37 0.00 -0.60 -4.41 105.19 101.36 2uww n GLY 230 Ca 0.12 -0.85 0.19 0.00 0.00 0.00 0.00 46.02 45.48 2uww n GLY 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2uww h GLY 231 N 0.00 0.23 1.78 -0.02 0.00 -1.47 -1.94 103.07 101.64 2uww h GLY 231 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2uww h GLY 231 CO 0.11 0.02 0.00 -1.84 0.00 0.00 0.00 176.54 174.83 2uww n GLU 232 N -4.40 0.16 -2.19 4.80 0.00 -1.26 -3.89 120.64 113.86 2uww n GLU 232 Ca 0.12 0.11 -0.42 0.00 0.00 0.00 0.00 57.16 56.96 2uww n GLU 232 Cb 0.61 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.55 2uww n GLU 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2uww n ARG 233 N -1.39 3.31 -0.06 3.44 1.74 -0.73 -4.75 116.66 118.22 2uww n ARG 233 Ca 0.08 -3.22 -0.16 0.00 -0.77 0.00 0.00 57.85 53.78 2uww n ARG 233 Cb 0.21 -3.10 -0.05 0.00 -1.02 0.00 0.00 32.46 28.50 2uww n ARG 233 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2uww h GLU 234 N 6.06 0.86 -0.60 5.56 5.08 -1.85 -2.05 114.58 127.65 2uww h GLU 234 Ca 0.45 -0.60 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2uww h GLU 234 Cb 0.67 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 2uww h GLU 234 CO 1.67 1.22 0.35 -0.07 -1.00 0.00 0.00 179.01 181.18 2uww h LEU 235 N 0.64 0.54 -0.77 1.33 3.38 -1.93 0.82 115.31 119.31 2uww h LEU 235 Ca -0.01 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2uww h LEU 235 Cb 1.25 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2uww h LEU 235 CO 0.14 0.37 -0.59 -0.08 0.09 0.00 0.00 178.44 178.36 2uww h GLU 236 N 0.67 0.00 -0.08 1.13 4.57 -1.92 -2.11 114.58 116.83 2uww h GLU 236 Ca 0.25 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.35 2uww h GLU 236 Cb 0.09 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2uww h GLU 236 CO -0.13 0.59 -0.35 1.96 -1.18 0.00 0.00 179.01 179.90 2uww h GLN 237 N 0.00 0.16 -0.25 1.92 1.08 -0.84 0.12 115.11 117.29 2uww h GLN 237 Ca -0.01 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.09 2uww h GLN 237 Cb 1.08 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.49 2uww h GLN 237 CO 0.08 0.49 -0.02 0.82 -0.95 0.00 0.00 178.83 179.25 2uww h ILE 238 N 0.14 1.27 -0.01 2.54 2.04 -0.52 -2.16 117.51 120.81 2uww h ILE 238 Ca 0.02 -0.96 -0.12 0.00 1.00 0.00 0.00 64.86 64.79 2uww h ILE 238 Cb 0.68 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2uww h ILE 238 CO 0.05 0.30 -0.55 0.00 0.00 0.00 0.00 178.15 177.95 2uww h ALA 239 N 0.80 1.06 -1.07 1.87 0.00 -1.23 -3.40 119.26 117.28 2uww h ALA 239 Ca 0.07 -0.50 -0.29 0.00 0.00 0.00 0.00 54.91 54.18 2uww h ALA 239 Cb 0.45 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 17.94 2uww h ALA 239 CO 0.02 0.69 -0.64 -3.47 0.00 0.00 0.00 179.25 175.85 2uww n ASP 240 N -3.88 -2.41 -4.53 0.00 2.03 0.40 -5.09 116.55 103.07 2uww n ASP 240 Ca -0.01 -2.91 -0.57 0.00 0.52 0.00 0.00 54.79 51.81 2uww n ASP 240 Cb 0.56 1.12 -0.08 0.00 -0.72 0.00 0.00 41.12 42.01 2uww n ASP 240 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2uww n ARG 241 N 2.40 0.30 -4.12 -0.67 0.63 -0.81 -4.45 116.66 109.93 2uww n ARG 241 Ca 0.18 0.11 -0.28 0.00 -0.92 0.00 0.00 57.85 56.94 2uww n ARG 241 Cb 0.56 -1.65 -0.03 0.00 0.45 0.00 0.00 32.46 31.79 2uww n ARG 241 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2uww n GLY 242 N 1.84 3.22 0.29 5.14 0.00 -1.26 -5.01 105.19 109.41 2uww n GLY 242 Ca 0.20 -2.33 0.16 0.00 0.00 0.00 0.00 46.02 44.05 2uww n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uww h THR 243 N 0.97 0.37 0.06 2.61 1.03 -1.93 -2.44 112.91 113.58 2uww h THR 243 Ca -0.36 -0.28 0.00 0.00 -0.01 0.00 0.00 66.41 65.76 2uww h THR 243 Cb 1.19 1.20 -0.01 0.00 -1.07 0.00 0.00 68.15 69.46 2uww h THR 243 CO 0.59 0.05 -0.05 0.00 -0.01 0.00 0.00 175.52 176.09 2uww h ALA 244 N 1.95 -0.11 -0.18 0.00 0.00 -1.89 -0.46 119.26 118.57 2uww h ALA 244 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2uww h ALA 244 Cb 0.19 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2uww h ALA 244 CO 0.01 -0.57 -0.32 0.00 0.00 0.00 0.00 179.25 178.37 2uww h ALA 245 N 0.81 1.11 -0.16 0.00 0.00 -1.82 -1.84 119.26 117.37 2uww h ALA 245 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 2uww h ALA 245 Cb 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2uww h ALA 245 CO -0.01 0.56 -0.25 0.93 0.00 0.00 0.00 179.25 180.48 2uww h GLU 246 N 0.32 0.45 -0.48 0.00 5.08 -1.34 -1.80 114.58 116.81 2uww h GLU 246 Ca 0.04 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 2uww h GLU 246 Cb 0.73 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2uww h GLU 246 CO 0.06 0.86 -0.05 0.00 -1.00 0.00 0.00 179.01 178.88 2uww h ARG 247 N 0.07 0.83 0.06 2.33 3.08 -1.01 -0.62 114.38 119.12 2uww h ARG 247 Ca 0.01 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 2uww h ARG 247 Cb 0.82 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2uww h ARG 247 CO 0.06 0.86 -0.03 0.00 -1.07 0.00 0.00 179.97 179.79 2uww h ALA 248 N 1.18 -0.08 -0.85 0.04 0.00 -1.35 0.43 119.26 118.63 2uww h ALA 248 Ca 0.14 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2uww h ALA 248 Cb 0.53 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 2uww h ALA 248 CO 0.03 -0.52 0.55 0.00 0.00 0.00 0.00 179.25 179.31 2uww h ALA 249 N 0.80 1.10 -0.01 0.00 0.00 -1.21 -2.91 119.26 117.03 2uww h ALA 249 Ca -0.01 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2uww h ALA 249 Cb 0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2uww h ALA 249 CO 0.01 0.42 -0.73 -0.07 0.00 0.00 0.00 179.25 178.89 2uww h LEU 250 N 1.09 0.08 -0.53 0.00 3.38 -0.93 -0.16 115.31 118.25 2uww h LEU 250 Ca 0.33 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.33 2uww h LEU 250 Cb -0.05 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 2uww h LEU 250 CO -0.10 0.78 0.13 0.15 0.09 0.00 0.00 178.44 179.49 2uww h PHE 251 N 0.04 0.21 0.07 1.13 3.04 -0.72 -0.21 116.94 120.51 2uww h PHE 251 Ca -0.01 0.03 -0.27 0.00 3.98 0.00 0.00 57.97 61.70 2uww h PHE 251 Cb 1.28 -0.01 0.01 0.00 2.56 0.00 0.00 35.95 39.79 2uww h PHE 251 CO 0.01 0.02 -1.12 -1.49 -2.02 0.00 0.00 178.31 173.70 2uww h TRP 252 N 0.27 0.77 -0.22 0.41 4.06 -1.40 -1.67 115.95 118.17 2uww h TRP 252 Ca 0.26 -0.47 -0.00 0.00 2.06 0.00 0.00 58.89 60.74 2uww h TRP 252 Cb 0.35 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 2uww h TRP 252 CO -0.22 1.32 0.13 -0.09 -3.56 0.00 0.00 178.44 176.02 2uww h ARG 253 N 0.23 0.30 -0.27 0.49 2.43 -0.87 0.17 114.38 116.87 2uww h ARG 253 Ca -0.13 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.95 2uww h ARG 253 Cb 1.79 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 31.26 2uww h ARG 253 CO 0.20 0.26 -0.10 -1.49 -1.51 0.00 0.00 179.97 177.33 2uww h TRP 254 N 0.26 0.46 0.13 2.20 6.55 -1.02 0.59 115.95 125.12 2uww h TRP 254 Ca 0.08 -0.06 -0.01 0.00 0.95 0.00 0.00 58.89 59.85 2uww h TRP 254 Cb 0.04 -0.13 0.00 0.00 -0.86 0.00 0.00 29.16 28.21 2uww h TRP 254 CO -0.04 0.53 -0.06 1.15 -1.05 0.00 0.00 178.44 178.96 2uww h THR 255 N 0.41 0.82 0.00 1.49 2.02 -1.00 -3.42 112.91 113.22 2uww h THR 255 Ca 0.08 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.02 2uww h THR 255 Cb 0.42 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2uww h THR 255 CO 0.02 0.23 0.00 1.15 0.37 0.00 0.00 175.52 177.29 2uww n MET 256 N -4.87 0.80 -0.52 6.66 0.00 0.57 -5.01 117.12 114.75 2uww n MET 256 Ca -0.07 -0.84 0.00 0.00 0.00 0.00 0.00 57.70 56.79 2uww n MET 256 Cb 0.26 -0.89 0.00 0.00 0.00 0.00 0.00 33.22 32.59 2uww n MET 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2uww n GLY 257 N -0.20 0.76 3.82 3.17 0.00 0.20 -4.99 105.19 107.94 2uww n GLY 257 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2uww n GLY 257 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2uww s PHE 258 N -2.95 -0.08 0.37 1.61 -0.71 -1.25 -4.93 117.98 110.03 2uww s PHE 258 Ca 0.00 -0.39 -0.16 0.00 -1.04 0.00 0.00 56.93 55.34 2uww s PHE 258 Cb 0.00 0.66 0.05 0.00 -1.21 0.00 0.00 43.02 42.52 2uww s PHE 258 CO 0.00 -1.25 0.77 0.54 -1.34 0.00 0.00 175.22 173.94 2uww s ASN 259 N -2.95 -0.02 0.37 1.98 4.22 -1.26 -3.04 114.94 114.24 2uww s ASN 259 Ca 0.13 -1.06 0.02 0.00 -2.14 0.00 0.00 52.86 49.81 2uww s ASN 259 Cb -0.05 0.82 0.02 0.00 1.28 0.00 0.00 41.25 43.33 2uww s ASN 259 CO 0.08 -1.62 0.20 0.00 -2.04 0.00 0.00 177.10 173.72 2uww n ALA 260 N -0.52 0.51 -2.41 3.54 0.00 -1.26 -5.04 120.51 115.33 2uww n ALA 260 Ca -0.07 -1.55 -0.24 0.00 0.00 0.00 0.00 53.44 51.58 2uww n ALA 260 Cb 0.60 0.70 -0.06 0.00 0.00 0.00 0.00 19.45 20.69 2uww n ALA 260 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2uww s THR 261 N -2.00 2.47 0.30 0.00 -4.23 -1.26 -4.74 115.64 106.18 2uww s THR 261 Ca 0.15 -1.64 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 2uww s THR 261 Cb -0.01 -2.99 0.28 0.00 1.34 0.00 0.00 72.50 71.12 2uww s THR 261 CO 0.10 -0.03 1.91 -0.03 -0.54 0.00 0.00 174.62 176.03 2uww h MET 262 N 1.38 0.98 0.01 3.99 4.05 -1.91 -0.19 114.93 123.24 2uww h MET 262 Ca -0.43 -0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 58.88 2uww h MET 262 Cb 1.25 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 2uww h MET 262 CO 0.67 0.65 -0.22 1.49 0.23 0.00 0.00 176.91 179.73 2uww h GLU 263 N 1.01 0.12 -0.07 0.39 4.81 -1.93 -3.38 114.58 115.53 2uww h GLU 263 Ca 0.40 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 2uww h GLU 263 Cb 0.24 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2uww h GLU 263 CO -0.15 0.95 -0.24 0.78 -0.73 0.00 0.00 179.01 179.61 2uww h GLY 264 N -0.63 0.13 0.70 1.92 0.00 -1.85 -1.10 103.07 102.24 2uww h GLY 264 Ca -0.03 -0.09 0.14 0.00 0.00 0.00 0.00 47.33 47.35 2uww h GLY 264 CO 0.04 0.09 0.50 1.19 0.00 0.00 0.00 176.54 178.36 2uww h ILE 265 N 0.11 0.80 0.00 2.60 6.09 -1.21 -0.23 117.51 125.67 2uww h ILE 265 Ca 0.02 -0.15 -0.04 0.00 -1.37 0.00 0.00 64.86 63.32 2uww h ILE 265 Cb 0.50 0.34 -0.01 0.00 0.47 0.00 0.00 36.82 38.12 2uww h ILE 265 CO 0.03 0.08 -0.20 0.45 -3.07 0.00 0.00 178.15 175.45 2uww h HIS 266 N 0.43 0.00 0.10 2.19 3.86 -1.38 0.20 115.15 120.54 2uww h HIS 266 Ca 0.37 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.33 2uww h HIS 266 Cb 0.82 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.32 2uww h HIS 266 CO -0.00 0.20 -1.04 0.00 0.86 0.00 0.00 177.93 177.95 2uww h ARG 267 N 0.00 0.53 -0.62 2.45 3.08 -1.07 -1.18 114.38 117.56 2uww h ARG 267 Ca -0.00 -0.70 0.08 0.00 0.07 0.00 0.00 59.98 59.43 2uww h ARG 267 Cb 0.82 0.23 -0.06 0.00 0.08 0.00 0.00 29.97 31.04 2uww h ARG 267 CO 0.03 1.30 0.29 -1.49 -1.07 0.00 0.00 179.97 179.02 2uww h TRP 268 N 0.09 0.51 0.20 3.04 4.06 -1.08 -2.67 115.95 120.10 2uww h TRP 268 Ca -0.16 0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.83 2uww h TRP 268 Cb 1.74 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 29.75 2uww h TRP 268 CO 0.14 0.19 -0.23 0.00 -3.56 0.00 0.00 178.44 174.98 2uww h ALA 269 N 1.38 -0.44 -0.42 1.49 0.00 -0.89 -0.91 119.26 119.47 2uww h ALA 269 Ca 0.30 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2uww h ALA 269 Cb 0.31 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2uww h ALA 269 CO -0.25 -0.78 -0.08 0.97 0.00 0.00 0.00 179.25 179.11 2uww h ILE 270 N -0.47 1.25 0.04 0.00 2.10 -1.16 -2.31 117.51 116.95 2uww h ILE 270 Ca 0.00 -1.09 -0.23 0.00 1.08 0.00 0.00 64.86 64.63 2uww h ILE 270 Cb 0.45 1.01 0.02 0.00 -1.09 0.00 0.00 36.82 37.21 2uww h ILE 270 CO -0.07 0.37 -0.92 -0.50 -1.08 0.00 0.00 178.15 175.95 2uww h TRP 271 N 0.67 0.86 -0.36 2.19 4.06 -1.40 -0.89 115.95 121.08 2uww h TRP 271 Ca 0.12 -0.49 0.07 0.00 2.06 0.00 0.00 58.89 60.65 2uww h TRP 271 Cb 0.53 -0.09 -0.07 0.00 -1.00 0.00 0.00 29.16 28.53 2uww h TRP 271 CO 0.03 1.33 -0.08 1.98 -3.56 0.00 0.00 178.44 178.14 2uww h MET 272 N 0.14 0.01 0.30 0.49 4.05 -1.08 -0.92 114.93 117.93 2uww h MET 272 Ca -0.13 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.28 2uww h MET 272 Cb 1.61 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.41 2uww h MET 272 CO 0.18 0.01 -0.14 0.00 0.23 0.00 0.00 176.91 177.18 2uww h ALA 273 N 1.36 -0.40 0.00 0.39 0.00 -1.42 -3.27 119.26 115.91 2uww h ALA 273 Ca 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2uww h ALA 273 Cb 0.26 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2uww h ALA 273 CO -0.36 -0.64 -0.23 -0.39 0.00 0.00 0.00 179.25 177.63 2uww h VAL 274 N -0.57 0.77 0.00 0.00 -1.51 -1.01 -2.09 116.25 111.84 2uww h VAL 274 Ca -0.04 -0.93 -0.01 0.00 -1.23 0.00 0.00 66.70 64.50 2uww h VAL 274 Cb 0.42 1.57 -0.00 0.00 -2.13 0.00 0.00 31.29 31.14 2uww h VAL 274 CO 0.07 0.22 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.53 2uww h LEU 275 N 0.00 0.00 0.11 4.19 3.38 -1.22 -1.59 115.31 120.18 2uww h LEU 275 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2uww h LEU 275 Cb 0.55 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 2uww h LEU 275 CO 0.03 0.03 -0.49 0.58 0.09 0.00 0.00 178.44 178.67 2uww h VAL 276 N 0.00 0.00 0.00 1.22 2.07 -1.43 -1.91 116.25 116.19 2uww h VAL 276 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2uww h VAL 276 Cb 0.51 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2uww h VAL 276 CO 0.00 0.00 -0.40 0.71 0.02 0.00 0.00 177.57 177.90 2uww h THR 277 N -0.70 0.17 0.29 2.57 1.35 -1.69 -1.75 112.91 113.15 2uww h THR 277 Ca -0.01 -1.26 -0.01 0.00 -0.55 0.00 0.00 66.41 64.58 2uww h THR 277 Cb 0.70 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 2uww h THR 277 CO -0.27 0.10 -0.14 -0.07 -0.25 0.00 0.00 175.52 174.89 2uww h LEU 278 N 0.00 -0.33 -0.59 3.87 3.38 -1.28 0.05 115.31 120.41 2uww h LEU 278 Ca -0.01 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 2uww h LEU 278 Cb 1.10 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2uww h LEU 278 CO 0.01 -0.00 -0.13 0.71 0.09 0.00 0.00 178.44 179.12 2uww h THR 279 N -0.67 1.27 -0.28 0.22 1.35 -1.42 -2.56 112.91 110.82 2uww h THR 279 Ca -0.04 -1.28 0.04 0.00 -0.55 0.00 0.00 66.41 64.59 2uww h THR 279 Cb 0.47 1.01 -0.04 0.00 -1.73 0.00 0.00 68.15 67.85 2uww h THR 279 CO 0.06 0.45 0.02 1.23 -0.25 0.00 0.00 175.52 177.03 2uww h GLY 280 N 0.94 0.29 1.44 5.82 0.00 -1.32 -0.54 103.07 109.69 2uww h GLY 280 Ca 0.13 0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.42 2uww h GLY 280 CO 0.05 -0.04 0.03 -1.33 0.00 0.00 0.00 176.54 175.25 2uww h GLY 281 N 0.11 0.75 0.83 4.60 0.00 -0.86 -1.51 103.07 106.99 2uww h GLY 281 Ca 0.13 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2uww h GLY 281 CO -0.20 0.43 0.01 -2.22 0.00 0.00 0.00 176.54 174.55 2uww h ILE 282 N 0.66 1.14 -0.56 2.60 2.04 -1.04 -0.97 117.51 121.38 2uww h ILE 282 Ca 0.14 -0.42 0.07 0.00 1.00 0.00 0.00 64.86 65.64 2uww h ILE 282 Cb 0.36 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.77 2uww h ILE 282 CO 0.01 0.11 0.25 1.23 0.00 0.00 0.00 178.15 179.76 2uww h GLY 283 N -0.13 0.79 0.92 5.37 0.00 -0.50 -1.85 103.07 107.67 2uww h GLY 283 Ca 0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 2uww h GLY 283 CO -0.00 0.06 -0.05 -2.22 0.00 0.00 0.00 176.54 174.33 2uww h ILE 284 N 0.47 1.27 -0.50 2.60 1.08 -1.30 -3.08 117.51 118.05 2uww h ILE 284 Ca 0.27 -1.08 -0.01 0.00 -0.39 0.00 0.00 64.86 63.65 2uww h ILE 284 Cb 0.24 1.28 -0.02 0.00 -3.07 0.00 0.00 36.82 35.25 2uww h ILE 284 CO -0.22 0.35 0.26 0.25 -0.69 0.00 0.00 178.15 178.10 2uww h LEU 285 N 0.43 0.61 -0.73 1.44 5.85 -0.71 -0.76 115.31 121.43 2uww h LEU 285 Ca 0.09 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2uww h LEU 285 Cb 0.53 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2uww h LEU 285 CO 0.03 0.50 0.00 -0.07 -0.34 0.00 0.00 178.44 178.56 2uww h LEU 286 N 0.69 0.00 -8.89 2.25 3.38 -1.37 -3.39 115.31 107.99 2uww h LEU 286 Ca 0.18 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.58 2uww h LEU 286 Cb 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 2uww h LEU 286 CO -0.03 0.00 0.93 -0.44 0.09 0.00 0.00 178.44 179.00 2uww s SER 287 N -5.71 6.71 0.00 -0.43 0.01 -0.29 -0.96 113.70 113.02 2uww s SER 287 Ca 0.04 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.26 2uww s SER 287 Cb 0.08 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2uww s SER 287 CO 0.59 -1.09 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2uww n GLY 288 N 4.37 3.27 0.12 3.44 0.00 0.19 -4.79 105.19 111.79 2uww n GLY 288 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 2uww n GLY 288 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2uww n THR 289 N -1.93 1.63 -0.02 2.61 -2.24 -1.18 -4.73 114.28 108.43 2uww n THR 289 Ca 0.00 -0.35 -0.02 0.00 -2.27 0.00 0.00 64.05 61.41 2uww n THR 289 Cb 0.00 -1.86 -0.02 0.00 -2.10 0.00 0.00 70.33 66.35 2uww n THR 289 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2uww n VAL 290 N -3.96 0.23 -4.01 2.28 0.31 -0.83 -4.99 118.33 107.35 2uww n VAL 290 Ca -0.35 -0.11 -0.31 0.00 -0.01 0.00 0.00 64.34 63.57 2uww n VAL 290 Cb 0.87 -0.74 -0.16 0.00 -0.91 0.00 0.00 33.84 32.90 2uww n VAL 290 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2uww s VAL 291 N -2.08 1.66 -0.04 2.52 1.01 -0.13 -5.00 120.40 118.34 2uww s VAL 291 Ca -0.04 -0.90 0.12 0.00 0.00 0.00 0.00 61.98 61.16 2uww s VAL 291 Cb 0.01 -1.67 -0.08 0.00 0.00 0.00 0.00 36.38 34.65 2uww s VAL 291 CO 0.11 0.28 1.27 0.44 0.00 0.00 0.00 175.10 177.19 2uww h ASP 292 N 7.99 0.00 -2.09 3.32 3.45 -1.87 0.56 116.42 127.78 2uww h ASP 292 Ca -0.32 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 56.91 2uww h ASP 292 Cb 1.11 0.00 -0.32 0.00 -0.56 0.00 0.00 39.33 39.56 2uww h ASP 292 CO 0.50 0.73 -0.55 0.21 -1.57 0.00 0.00 179.24 178.56 2uww s ASN 293 N -6.46 0.80 0.28 6.45 3.84 -1.26 -4.36 114.94 114.24 2uww s ASN 293 Ca 0.02 -0.12 -0.00 0.00 0.21 0.00 0.00 52.86 52.96 2uww s ASN 293 Cb 0.09 0.82 0.41 0.00 -0.55 0.00 0.00 41.25 42.01 2uww s ASN 293 CO 0.79 -0.33 1.79 -0.50 -2.79 0.00 0.00 177.10 176.06 2uww h TRP 294 N 8.23 0.75 -0.49 0.43 4.06 -0.94 -0.85 115.95 127.14 2uww h TRP 294 Ca -0.17 -0.10 0.02 0.00 2.06 0.00 0.00 58.89 60.70 2uww h TRP 294 Cb 1.14 -0.21 -0.03 0.00 -1.00 0.00 0.00 29.16 29.06 2uww h TRP 294 CO 0.17 0.70 0.31 -0.92 -3.56 0.00 0.00 178.44 175.14 2uww h TYR 295 N 0.67 0.58 -0.13 0.49 3.20 -1.77 0.79 116.97 120.80 2uww h TYR 295 Ca 0.13 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2uww h TYR 295 Cb 0.41 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 2uww h TYR 295 CO 0.02 0.35 0.04 0.28 -1.64 0.00 0.00 178.16 177.21 2uww h VAL 296 N 0.62 1.18 -0.51 1.81 2.07 -1.79 -2.17 116.25 117.46 2uww h VAL 296 Ca 0.19 -0.55 0.09 0.00 0.82 0.00 0.00 66.70 67.25 2uww h VAL 296 Cb -0.02 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 2uww h VAL 296 CO -0.07 0.16 0.08 -0.25 0.02 0.00 0.00 177.57 177.51 2uww h TRP 297 N 0.03 0.11 0.00 1.57 7.01 -0.95 -2.18 115.95 121.53 2uww h TRP 297 Ca 0.04 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 2uww h TRP 297 Cb 0.22 0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.30 2uww h TRP 297 CO -0.00 -0.04 -0.14 0.78 -2.79 0.00 0.00 178.44 176.25 2uww h GLY 298 N 0.21 0.00 1.47 2.65 0.00 -0.65 -1.16 103.07 105.58 2uww h GLY 298 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.47 2uww h GLY 298 CO -0.36 0.00 -0.34 1.46 0.00 0.00 0.00 176.54 177.30 2uww h GLN 299 N 0.00 0.59 -0.01 4.80 1.08 -0.74 -2.66 115.11 118.17 2uww h GLN 299 Ca -0.00 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 2uww h GLN 299 Cb 0.36 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2uww h GLN 299 CO 0.02 0.85 -0.13 0.09 -0.95 0.00 0.00 178.83 178.71 2uww n ASN 300 N -4.06 1.12 0.00 1.46 3.02 -0.79 -4.90 115.26 111.09 2uww n ASN 300 Ca -0.01 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 2uww n ASN 300 Cb 0.48 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 2uww n ASN 300 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2uww n HIS 301 N -0.38 0.00 -2.61 3.10 8.25 -0.51 -4.43 115.22 118.64 2uww n HIS 301 Ca 0.15 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.59 2uww n HIS 301 Cb 0.34 -1.05 0.06 0.00 1.12 0.00 0.00 29.99 30.46 2uww n HIS 301 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2uww n GLY 302 N -1.28 0.55 0.00 -1.41 0.00 -1.02 -4.87 105.19 97.17 2uww n GLY 302 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2uww n GLY 302 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19