#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uup s ASP 2 N 0.00 1.94 0.00 0.00 -1.08 0.51 -5.03 116.67 113.01 2uup s ASP 2 Ca 0.00 -0.27 0.23 0.00 -0.52 0.00 0.00 52.55 51.98 2uup s ASP 2 Cb 0.00 -0.51 0.25 0.00 -1.46 0.00 0.00 42.92 41.20 2uup s ASP 2 CO 0.00 -0.21 1.27 -1.22 0.52 0.00 0.00 175.17 175.52 2uup n TYR 3 N 5.11 0.15 -1.70 -5.34 4.01 2.63 -4.99 117.16 117.04 2uup n TYR 3 Ca -0.08 -0.08 -0.44 0.00 -0.16 0.00 0.00 57.90 57.14 2uup n TYR 3 Cb 0.49 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.49 2uup n TYR 3 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2uup n GLN 4 N 1.32 2.52 -0.93 -0.72 7.27 -1.23 -1.88 117.38 123.73 2uup n GLN 4 Ca 0.15 0.91 0.00 0.00 0.07 0.00 0.00 57.00 58.13 2uup n GLN 4 Cb 0.57 -2.72 0.00 0.00 2.41 0.00 0.00 30.24 30.51 2uup n GLN 4 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2uup n GLY 5 N 3.62 0.90 3.82 1.69 0.00 -1.26 -5.02 105.19 108.94 2uup n GLY 5 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2uup n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uup s LYS 6 N -0.11 4.18 -0.45 1.61 -0.14 -0.79 -5.03 119.74 119.02 2uup s LYS 6 Ca 0.00 1.13 -0.23 0.00 -1.36 0.00 0.00 55.97 55.51 2uup s LYS 6 Cb 0.00 -2.17 0.03 0.00 -1.68 0.00 0.00 37.83 34.00 2uup s LYS 6 CO 0.00 -0.07 0.80 1.21 -0.76 0.00 0.00 175.35 176.53 2uup s ASN 7 N -2.20 6.43 -0.12 2.83 3.04 -1.26 -4.90 114.94 118.76 2uup s ASN 7 Ca 0.62 -0.06 -0.00 0.00 0.04 0.00 0.00 52.86 53.46 2uup s ASN 7 Cb -0.10 -2.39 -0.02 0.00 -1.54 0.00 0.00 41.25 37.20 2uup s ASN 7 CO 0.14 -0.93 -0.12 -0.69 -3.04 0.00 0.00 177.10 172.46 2uup s VAL 8 N 3.35 3.11 -0.13 -5.21 1.01 -1.26 -0.19 120.40 121.09 2uup s VAL 8 Ca 0.31 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2uup s VAL 8 Cb -0.12 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.97 2uup s VAL 8 CO 0.23 0.53 -0.18 -0.69 0.00 0.00 0.00 175.10 174.98 2uup s VAL 9 N 0.24 1.78 -0.21 2.92 1.01 -0.01 -1.23 120.40 124.90 2uup s VAL 9 Ca -0.08 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 2uup s VAL 9 Cb -0.15 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 2uup s VAL 9 CO 0.05 0.50 0.09 -0.63 0.00 0.00 0.00 175.10 175.11 2uup s ILE 10 N 0.94 4.91 -0.27 2.22 1.01 0.05 0.01 121.20 130.07 2uup s ILE 10 Ca -0.06 0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.54 2uup s ILE 10 Cb -0.15 -3.25 -0.00 0.00 0.01 0.00 0.00 42.46 39.07 2uup s ILE 10 CO -0.03 0.41 0.06 -0.63 0.00 0.00 0.00 174.94 174.76 2uup s ILE 11 N 0.75 4.00 0.00 2.92 1.01 0.16 -0.85 121.20 129.19 2uup s ILE 11 Ca 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.18 2uup s ILE 11 Cb -0.13 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.36 2uup s ILE 11 CO 0.02 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.76 2uup n GLY 12 N 4.88 1.16 0.00 6.18 0.00 0.53 -0.65 105.19 117.29 2uup n GLY 12 Ca -0.15 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2uup n GLY 12 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2uup n LEU 13 N -0.01 0.00 0.00 0.99 7.94 -1.26 -4.09 117.00 120.57 2uup n LEU 13 Ca 0.00 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 2uup n LEU 13 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 2uup n LEU 13 CO 0.00 0.00 -0.04 0.61 -1.11 0.00 0.00 177.39 176.85 2uup n GLY 14 N 5.00 -1.62 0.26 -3.96 0.00 -0.35 -1.71 105.19 102.81 2uup n GLY 14 Ca 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 46.02 44.75 2uup n GLY 14 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2uup h LEU 15 N 0.00 0.64 -0.04 0.99 5.85 -1.97 -0.62 115.31 120.16 2uup h LEU 15 Ca 0.00 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.54 2uup h LEU 15 Cb 0.22 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2uup h LEU 15 CO 0.00 0.81 0.00 0.74 -0.34 0.00 0.00 178.44 179.65 2uup h THR 16 N 0.58 0.98 -0.61 1.05 2.02 -1.95 -1.00 112.91 113.99 2uup h THR 16 Ca 0.10 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 2uup h THR 16 Cb 0.59 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 2uup h THR 16 CO 0.04 0.00 0.37 1.23 0.37 0.00 0.00 175.52 177.54 2uup h GLY 17 N 0.02 0.88 0.88 2.16 0.00 -1.08 -1.66 103.07 104.28 2uup h GLY 17 Ca 0.02 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.01 2uup h GLY 17 CO -0.03 0.35 0.45 1.41 0.00 0.00 0.00 176.54 178.72 2uup h LEU 18 N 0.83 0.74 -1.23 3.11 3.38 -0.97 -1.20 115.31 119.97 2uup h LEU 18 Ca 0.22 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2uup h LEU 18 Cb -0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2uup h LEU 18 CO -0.04 0.51 0.05 0.77 0.09 0.00 0.00 178.44 179.82 2uup h SER 19 N 0.88 0.54 -0.49 -0.43 4.64 -0.59 -1.65 113.55 116.45 2uup h SER 19 Ca 0.28 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.46 2uup h SER 19 Cb 0.01 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 2uup h SER 19 CO -0.11 0.57 0.11 0.00 -0.87 0.00 0.00 176.83 176.54 2uup h VAL 21 N 0.67 0.71 -0.78 0.00 2.07 -0.80 -2.27 116.25 115.84 2uup h VAL 21 Ca 0.15 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 2uup h VAL 21 Cb 0.34 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2uup h VAL 21 CO 0.00 0.00 0.41 0.44 0.02 0.00 0.00 177.57 178.45 2uup h ASP 22 N -0.08 0.99 -0.23 0.57 3.32 -1.22 -2.35 116.42 117.42 2uup h ASP 22 Ca 0.10 -0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.10 2uup h ASP 22 Cb 0.23 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 2uup h ASP 22 CO -0.23 0.82 -0.18 0.15 -1.72 0.00 0.00 179.24 178.08 2uup h PHE 23 N 1.09 -0.47 -0.14 4.55 3.57 -0.81 -2.15 116.94 122.57 2uup h PHE 23 Ca 0.27 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 2uup h PHE 23 Cb 0.06 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 2uup h PHE 23 CO 0.00 -0.26 -0.07 0.74 -2.23 0.00 0.00 178.31 176.49 2uup h PHE 24 N -0.19 0.35 -0.53 0.41 0.04 -1.23 -3.12 116.94 112.67 2uup h PHE 24 Ca 0.13 -0.09 0.08 0.00 2.80 0.00 0.00 57.97 60.90 2uup h PHE 24 Cb 0.38 -0.08 -0.07 0.00 2.20 0.00 0.00 35.95 38.39 2uup h PHE 24 CO -0.34 0.63 0.15 -0.07 -0.60 0.00 0.00 178.31 178.08 2uup h LEU 25 N -0.04 0.10 -2.46 1.54 3.38 -0.81 0.13 115.31 117.16 2uup h LEU 25 Ca 0.03 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2uup h LEU 25 Cb 0.54 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2uup h LEU 25 CO 0.02 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.63 2uup h ALA 26 N 1.38 1.00 -0.53 1.53 0.00 -1.40 0.40 119.26 121.64 2uup h ALA 26 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2uup h ALA 26 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2uup h ALA 26 CO -0.30 -0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.48 2uup n ARG 27 N -2.80 2.92 -1.47 0.00 1.74 0.31 -4.95 116.66 112.42 2uup n ARG 27 Ca -0.02 -2.44 0.00 0.00 -0.77 0.00 0.00 57.85 54.62 2uup n ARG 27 Cb 0.06 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 2uup n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2uup n GLY 28 N 0.99 0.40 3.00 -0.13 0.00 0.13 -4.77 105.19 104.82 2uup n GLY 28 Ca 0.19 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 2uup n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uup s VAL 29 N -2.00 1.38 -0.46 1.61 1.01 -0.28 -4.78 120.40 116.88 2uup s VAL 29 Ca 0.00 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 2uup s VAL 29 Cb 0.00 -1.30 0.04 0.00 0.00 0.00 0.00 36.38 35.12 2uup s VAL 29 CO 0.00 0.42 0.54 -0.89 0.00 0.00 0.00 175.10 175.17 2uup s THR 30 N 1.33 4.97 0.64 3.92 2.01 -1.26 -1.81 115.64 125.44 2uup s THR 30 Ca 0.00 -0.36 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 2uup s THR 30 Cb -0.14 -4.17 0.03 0.00 0.01 0.00 0.00 72.50 68.23 2uup s THR 30 CO -0.06 -0.60 0.96 -2.16 -0.69 0.00 0.00 174.62 172.06 2uup s PRO 31 N 2.41 2.63 0.12 4.92 0.04 -1.26 -4.71 135.00 139.16 2uup s PRO 31 Ca 0.15 -0.08 0.04 0.00 0.04 0.00 0.00 61.00 61.15 2uup s PRO 31 Cb -0.18 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 2uup s PRO 31 CO 0.14 -0.93 0.10 1.03 0.04 0.00 0.00 177.00 177.37 2uup s ARG 32 N -5.11 2.85 -0.05 4.56 0.52 -0.37 -4.31 118.95 117.04 2uup s ARG 32 Ca 0.57 -0.80 0.05 0.00 -0.52 0.00 0.00 55.73 55.03 2uup s ARG 32 Cb -0.11 -2.66 -0.01 0.00 0.52 0.00 0.00 34.95 32.69 2uup s ARG 32 CO 0.45 0.52 -0.21 0.08 0.02 0.00 0.00 175.30 176.16 2uup s VAL 33 N -1.57 1.76 0.13 3.52 1.01 -0.67 -0.77 120.40 123.81 2uup s VAL 33 Ca 0.30 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.42 2uup s VAL 33 Cb -0.11 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2uup s VAL 33 CO 0.22 0.50 -0.11 0.00 0.00 0.00 0.00 175.10 175.71 2uup s MET 34 N -0.10 0.99 -0.19 2.72 0.23 -0.03 -1.18 119.30 121.74 2uup s MET 34 Ca -0.03 -1.32 -0.18 0.00 -1.03 0.00 0.00 55.69 53.13 2uup s MET 34 Cb -0.12 -0.66 0.05 0.00 -1.53 0.00 0.00 34.83 32.57 2uup s MET 34 CO 0.03 0.10 0.52 0.34 -2.03 0.00 0.00 175.02 173.97 2uup s ASP 35 N -2.82 -0.54 0.53 -1.18 -1.08 -0.64 -0.35 116.67 110.60 2uup s ASP 35 Ca 0.12 1.04 0.33 0.00 -0.52 0.00 0.00 52.55 53.52 2uup s ASP 35 Cb -0.01 1.06 1.33 0.00 -1.46 0.00 0.00 42.92 43.84 2uup s ASP 35 CO 0.01 -0.18 1.96 0.71 0.52 0.00 0.00 175.17 178.19 2uup h THR 36 N 4.35 0.00 -3.60 1.71 1.35 -1.88 -0.06 112.91 114.78 2uup h THR 36 Ca -0.28 -0.51 -0.52 0.00 -0.55 0.00 0.00 66.41 64.56 2uup h THR 36 Cb 1.17 1.49 -0.03 0.00 -1.73 0.00 0.00 68.15 69.06 2uup h THR 36 CO 0.18 0.00 0.24 -0.13 -0.25 0.00 0.00 175.52 175.56 2uup s ARG 37 N -3.64 4.67 0.10 4.72 0.52 -1.26 -3.38 118.95 120.68 2uup s ARG 37 Ca 0.01 1.27 -0.20 0.00 -0.52 0.00 0.00 55.73 56.30 2uup s ARG 37 Cb 0.09 -3.28 -0.08 0.00 0.52 0.00 0.00 34.95 32.20 2uup s ARG 37 CO 0.54 0.53 1.70 1.98 0.02 0.00 0.00 175.30 180.07 2uup h MET 38 N 4.36 0.26 -2.94 3.54 1.85 -1.87 -2.48 114.93 117.65 2uup h MET 38 Ca -0.46 -0.03 -0.61 0.00 -0.61 0.00 0.00 59.70 57.99 2uup h MET 38 Cb 1.20 -0.05 -0.40 0.00 0.43 0.00 0.00 31.60 32.78 2uup h MET 38 CO 0.67 0.26 -0.72 0.95 -0.40 0.00 0.00 176.91 177.67 2uup s THR 39 N -5.85 1.80 0.72 -0.77 -4.23 -1.26 -4.47 115.64 101.58 2uup s THR 39 Ca -0.13 -3.20 -0.12 0.00 -1.18 0.00 0.00 61.69 57.06 2uup s THR 39 Cb 0.08 -2.23 0.02 0.00 1.34 0.00 0.00 72.50 71.72 2uup s THR 39 CO 0.70 -0.98 1.08 -2.16 -0.54 0.00 0.00 174.62 172.71 2uup s PRO 40 N -0.34 2.65 0.24 3.99 0.04 -1.25 -4.95 135.00 135.37 2uup s PRO 40 Ca 0.23 1.12 -0.31 0.00 0.04 0.00 0.00 61.00 62.07 2uup s PRO 40 Cb -0.13 -1.95 -0.14 0.00 0.04 0.00 0.00 34.50 32.33 2uup s PRO 40 CO -0.09 -1.33 1.33 -2.30 0.04 0.00 0.00 177.00 174.65 2uup n PRO 41 N -3.13 1.84 -0.65 0.56 -0.02 -1.26 -2.44 135.00 129.90 2uup n PRO 41 Ca 0.09 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2uup n PRO 41 Cb 0.53 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2uup n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uup n GLY 42 N 1.98 0.85 0.24 -1.23 0.00 -1.26 -1.21 105.19 104.56 2uup n GLY 42 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 2uup n GLY 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2uup h LEU 43 N 0.00 0.44 -0.44 0.99 5.85 -1.85 0.10 115.31 120.41 2uup h LEU 43 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2uup h LEU 43 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2uup h LEU 43 CO 0.00 0.29 0.00 0.47 -0.34 0.00 0.00 178.44 178.86 2uup n ASP 44 N -4.85 0.31 -0.15 1.25 8.00 -1.26 -1.37 116.55 118.48 2uup n ASP 44 Ca 0.07 0.59 0.11 0.00 0.71 0.00 0.00 54.79 56.28 2uup n ASP 44 Cb 0.18 -0.65 0.04 0.00 -0.02 0.00 0.00 41.12 40.67 2uup n ASP 44 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2uup n LYS 45 N -1.86 0.39 -2.22 -1.24 4.76 0.32 -4.93 118.16 113.38 2uup n LYS 45 Ca 0.02 -0.30 -0.42 0.00 -2.87 0.00 0.00 58.31 54.74 2uup n LYS 45 Cb 0.15 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 2uup n LYS 45 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2uup s LEU 46 N -2.82 4.38 0.40 -0.35 2.96 -0.47 -4.96 118.68 117.81 2uup s LEU 46 Ca 0.13 2.28 -0.26 0.00 -0.22 0.00 0.00 54.13 56.06 2uup s LEU 46 Cb 0.17 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 43.17 2uup s LEU 46 CO 0.73 -0.61 1.30 -2.65 -1.32 0.00 0.00 176.35 173.80 2uup n PRO 47 N 3.81 2.06 -0.04 0.98 -0.02 -1.26 -4.91 135.00 135.62 2uup n PRO 47 Ca 0.10 0.73 0.07 0.00 -2.02 0.00 0.00 63.50 62.39 2uup n PRO 47 Cb 0.43 -2.41 0.45 0.00 -0.02 0.00 0.00 33.50 31.95 2uup n PRO 47 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2uup h GLU 48 N 2.29 0.50 0.00 -0.52 4.81 -1.98 -1.61 114.58 118.07 2uup h GLU 48 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2uup h GLU 48 Cb 1.29 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2uup h GLU 48 CO 0.61 0.33 0.00 0.00 -0.73 0.00 0.00 179.01 179.22 2uup n ALA 49 N -2.49 2.25 -2.64 2.92 0.00 -1.26 -4.74 120.51 114.55 2uup n ALA 49 Ca 0.06 -0.12 -0.40 0.00 0.00 0.00 0.00 53.44 52.98 2uup n ALA 49 Cb 0.19 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 2uup n ALA 49 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2uup s VAL 50 N -2.52 5.00 0.27 0.00 1.01 -0.61 -5.03 120.40 118.53 2uup s VAL 50 Ca 0.24 1.15 -0.29 0.00 0.00 0.00 0.00 61.98 63.08 2uup s VAL 50 Cb 0.16 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 2uup s VAL 50 CO 0.36 0.06 1.14 -1.61 0.00 0.00 0.00 175.10 175.05 2uup s GLU 51 N 2.29 4.58 0.04 2.72 2.02 -1.26 -4.94 118.70 124.15 2uup s GLU 51 Ca 0.27 1.88 0.01 0.00 0.02 0.00 0.00 54.97 57.15 2uup s GLU 51 Cb -0.16 -3.18 -0.03 0.00 0.10 0.00 0.00 34.13 30.87 2uup s GLU 51 CO 0.09 0.11 -0.06 -0.98 0.02 0.00 0.00 175.26 174.44 2uup s ARG 52 N -1.33 0.52 -0.07 1.61 3.03 -1.26 -1.68 118.95 119.76 2uup s ARG 52 Ca 0.46 -0.84 -0.02 0.00 2.03 0.00 0.00 55.73 57.37 2uup s ARG 52 Cb -0.33 -0.13 0.03 0.00 -1.03 0.00 0.00 34.95 33.49 2uup s ARG 52 CO 0.42 -0.00 0.02 -1.58 -1.13 0.00 0.00 175.30 173.03 2uup s HIS 53 N -1.93 0.57 0.24 5.89 2.46 -0.33 -4.98 115.29 117.22 2uup s HIS 53 Ca -0.07 -0.13 0.06 0.00 0.47 0.00 0.00 55.06 55.38 2uup s HIS 53 Cb -0.06 -0.76 -0.05 0.00 -0.13 0.00 0.00 32.58 31.58 2uup s HIS 53 CO -0.02 -0.32 -0.06 0.95 -2.47 0.00 0.00 174.74 172.82 2uup s THR 54 N 2.00 1.46 0.00 0.89 -4.23 -1.26 -1.62 115.64 112.88 2uup s THR 54 Ca 0.05 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 2uup s THR 54 Cb -0.13 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.40 2uup s THR 54 CO -0.05 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 2uup n GLY 55 N -0.48 1.24 3.61 3.99 0.00 -0.04 -4.84 105.19 108.66 2uup n GLY 55 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 2uup n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uup s SER 56 N -2.88 -0.06 0.42 1.61 1.04 -1.17 -4.75 113.70 107.92 2uup s SER 56 Ca 0.00 -0.05 -0.18 0.00 0.48 0.00 0.00 55.95 56.20 2uup s SER 56 Cb 0.00 0.10 -0.10 0.00 0.10 0.00 0.00 66.02 66.12 2uup s SER 56 CO 0.00 -0.17 0.90 -0.76 0.98 0.00 0.00 173.24 174.19 2uup s LEU 57 N -2.58 3.89 -0.37 2.42 1.43 -1.26 -4.25 118.68 117.96 2uup s LEU 57 Ca 0.13 1.54 -0.07 0.00 -1.03 0.00 0.00 54.13 54.70 2uup s LEU 57 Cb 0.03 -4.40 0.06 0.00 0.03 0.00 0.00 46.19 41.90 2uup s LEU 57 CO -0.04 -0.38 0.16 0.21 0.23 0.00 0.00 176.35 176.53 2uup s ASN 58 N -2.46 5.40 0.44 2.29 3.84 -1.26 -4.97 114.94 118.21 2uup s ASN 58 Ca 0.59 -1.35 0.22 0.00 0.21 0.00 0.00 52.86 52.53 2uup s ASN 58 Cb -0.10 -1.90 0.97 0.00 -0.55 0.00 0.00 41.25 39.68 2uup s ASN 58 CO 0.19 -0.41 1.86 0.44 -2.79 0.00 0.00 177.10 176.39 2uup h ASP 59 N 8.25 0.00 -0.36 -4.21 3.32 -1.98 -1.38 116.42 120.06 2uup h ASP 59 Ca -0.22 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 2uup h ASP 59 Cb 1.08 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 2uup h ASP 59 CO 0.66 0.26 0.13 -0.33 -1.72 0.00 0.00 179.24 178.24 2uup h GLU 60 N 0.00 0.54 -0.47 3.56 5.08 -1.99 -1.01 114.58 120.29 2uup h GLU 60 Ca -0.00 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 2uup h GLU 60 Cb 0.67 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2uup h GLU 60 CO 0.03 0.54 -0.09 -1.49 -1.00 0.00 0.00 179.01 177.00 2uup h TRP 61 N 0.43 1.00 -0.27 4.33 4.06 -1.88 -2.76 115.95 120.87 2uup h TRP 61 Ca 0.12 -0.21 -0.02 0.00 2.06 0.00 0.00 58.89 60.84 2uup h TRP 61 Cb 0.21 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 2uup h TRP 61 CO 0.00 0.97 0.11 -0.07 -3.56 0.00 0.00 178.44 175.89 2uup h LEU 62 N 0.75 0.37 -0.46 -4.49 3.38 -1.15 -2.73 115.31 110.97 2uup h LEU 62 Ca 0.12 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2uup h LEU 62 Cb 0.63 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2uup h LEU 62 CO 0.04 0.44 0.00 0.23 0.09 0.00 0.00 178.44 179.24 2uup n MET 63 N -4.76 0.21 0.03 1.13 2.81 -0.39 -2.13 117.12 114.02 2uup n MET 63 Ca -0.03 0.35 0.12 0.00 -1.81 0.00 0.00 57.70 56.33 2uup n MET 63 Cb 0.13 -1.84 0.20 0.00 -0.71 0.00 0.00 33.22 31.00 2uup n MET 63 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2uup n ALA 64 N -1.77 3.19 -1.77 3.04 0.00 -1.04 -4.97 120.51 117.18 2uup n ALA 64 Ca 0.03 -0.30 -0.37 0.00 0.00 0.00 0.00 53.44 52.81 2uup n ALA 64 Cb 0.30 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 2uup n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uup s ALA 65 N -3.10 3.04 -0.09 0.00 0.00 -0.90 -4.88 121.76 115.82 2uup s ALA 65 Ca 0.08 0.85 0.15 0.00 0.00 0.00 0.00 51.96 53.04 2uup s ALA 65 Cb 0.15 -3.34 -0.18 0.00 0.00 0.00 0.00 23.12 19.75 2uup s ALA 65 CO 0.72 -0.48 0.74 -0.25 0.00 0.00 0.00 175.76 176.48 2uup n ASP 66 N -0.27 0.85 -3.72 0.00 8.00 0.74 -4.89 116.55 117.27 2uup n ASP 66 Ca 0.06 0.39 -0.12 0.00 0.71 0.00 0.00 54.79 55.83 2uup n ASP 66 Cb 0.48 0.07 -0.12 0.00 -0.02 0.00 0.00 41.12 41.54 2uup n ASP 66 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2uup s LEU 67 N -5.91 0.26 -0.15 0.64 2.96 -0.93 -4.17 118.68 111.38 2uup s LEU 67 Ca -0.04 0.68 -0.03 0.00 -0.22 0.00 0.00 54.13 54.53 2uup s LEU 67 Cb 0.08 1.02 -0.02 0.00 0.50 0.00 0.00 46.19 47.77 2uup s LEU 67 CO 0.82 -0.17 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.99 2uup s ILE 68 N 1.18 3.72 -0.40 6.68 1.01 -0.08 -0.83 121.20 132.48 2uup s ILE 68 Ca -0.08 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 2uup s ILE 68 Cb -0.09 -2.62 0.10 0.00 0.01 0.00 0.00 42.46 39.87 2uup s ILE 68 CO -0.09 0.50 0.19 -0.69 0.00 0.00 0.00 174.94 174.85 2uup s VAL 69 N 0.39 3.32 -0.22 2.92 1.01 0.10 -1.18 120.40 126.75 2uup s VAL 69 Ca -0.05 -1.95 -0.17 0.00 0.00 0.00 0.00 61.98 59.80 2uup s VAL 69 Cb -0.15 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2uup s VAL 69 CO 0.03 -0.63 0.46 0.00 0.00 0.00 0.00 175.10 174.97 2uup s ALA 70 N 1.17 3.56 0.43 5.51 0.00 0.16 -0.67 121.76 131.93 2uup s ALA 70 Ca 0.07 -0.51 -0.23 0.00 0.00 0.00 0.00 51.96 51.28 2uup s ALA 70 Cb -0.23 -2.75 -0.11 0.00 0.00 0.00 0.00 23.12 20.04 2uup s ALA 70 CO -0.04 -0.45 0.91 0.45 0.00 0.00 0.00 175.76 176.63 2uup n SER 71 N 4.83 0.77 0.31 0.00 2.88 0.18 -4.47 113.62 118.12 2uup n SER 71 Ca -0.06 0.99 0.21 0.00 -1.33 0.00 0.00 58.87 58.68 2uup n SER 71 Cb 0.51 -1.30 1.11 0.00 -0.75 0.00 0.00 64.21 63.78 2uup n SER 71 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2uup h PRO 72 N 1.31 0.00 -0.00 -1.46 0.13 -1.90 -2.60 132.00 127.48 2uup h PRO 72 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2uup h PRO 72 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2uup h PRO 72 CO 0.55 0.00 -0.00 0.41 -0.23 0.00 0.00 178.00 178.73 2uup n GLY 73 N -1.02 -0.93 3.44 1.56 0.00 -1.26 -4.68 105.19 102.30 2uup n GLY 73 Ca -0.03 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 2uup n GLY 73 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2uup s ILE 74 N -2.04 3.44 0.22 -0.61 2.07 -0.98 -5.10 121.20 118.19 2uup s ILE 74 Ca 0.46 -0.53 -0.30 0.00 -1.41 0.00 0.00 60.65 58.87 2uup s ILE 74 Cb 0.22 -2.47 -0.09 0.00 0.13 0.00 0.00 42.46 40.25 2uup s ILE 74 CO 0.37 0.52 1.39 0.00 -1.91 0.00 0.00 174.94 175.31 2uup s ALA 75 N 0.24 3.59 0.57 1.50 0.00 -1.26 -4.86 121.76 121.54 2uup s ALA 75 Ca -0.06 1.22 0.26 0.00 0.00 0.00 0.00 51.96 53.39 2uup s ALA 75 Cb -0.15 -3.53 1.58 0.00 0.00 0.00 0.00 23.12 21.03 2uup s ALA 75 CO 0.04 -0.65 2.11 -0.07 0.00 0.00 0.00 175.76 177.19 2uup h LEU 76 N 5.32 0.00 0.00 0.00 3.38 -1.95 -1.06 115.31 121.00 2uup h LEU 76 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2uup h LEU 76 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2uup h LEU 76 CO 0.78 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.31 2uup n ALA 77 N -2.41 2.19 -1.68 1.53 0.00 -1.26 -3.36 120.51 115.53 2uup n ALA 77 Ca 0.02 -0.12 -0.46 0.00 0.00 0.00 0.00 53.44 52.88 2uup n ALA 77 Cb 0.31 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 2uup n ALA 77 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2uup n HIS 78 N -1.16 2.37 -0.36 0.00 -0.00 -0.41 -4.73 115.22 110.93 2uup n HIS 78 Ca 0.13 0.09 0.27 0.00 -0.00 0.00 0.00 57.72 58.21 2uup n HIS 78 Cb 0.13 -2.62 0.55 0.00 -0.00 0.00 0.00 29.99 28.05 2uup n HIS 78 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2uup h PRO 79 N 7.59 0.28 -0.28 1.57 0.11 -1.90 0.16 132.00 139.52 2uup h PRO 79 Ca -0.46 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2uup h PRO 79 Cb 1.25 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2uup h PRO 79 CO 0.92 0.18 0.07 0.77 -0.21 0.00 0.00 178.00 179.74 2uup h SER 80 N 0.29 0.43 -0.27 -2.05 0.02 -1.94 -0.74 113.55 109.28 2uup h SER 80 Ca 0.68 -0.23 -0.15 0.00 -0.84 0.00 0.00 61.79 61.26 2uup h SER 80 Cb 1.87 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 64.29 2uup h SER 80 CO -0.36 0.54 -0.37 -0.07 -1.14 0.00 0.00 176.83 175.43 2uup h LEU 81 N 0.29 0.86 -0.61 5.07 3.38 -1.34 -2.44 115.31 120.52 2uup h LEU 81 Ca 0.09 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.70 2uup h LEU 81 Cb 0.28 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2uup h LEU 81 CO 0.00 1.13 0.38 -1.28 0.09 0.00 0.00 178.44 178.76 2uup h SER 82 N 0.67 0.63 -0.67 -0.43 0.87 -0.67 -0.84 113.55 113.11 2uup h SER 82 Ca 0.06 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2uup h SER 82 Cb 0.92 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 2uup h SER 82 CO 0.08 0.45 0.38 0.00 -0.53 0.00 0.00 176.83 177.21 2uup h ALA 83 N 1.25 0.86 -0.50 6.23 0.00 -0.99 -0.31 119.26 125.80 2uup h ALA 83 Ca 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2uup h ALA 83 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2uup h ALA 83 CO -0.09 0.36 0.21 0.00 0.00 0.00 0.00 179.25 179.74 2uup h ALA 84 N 1.19 0.65 -0.56 0.00 0.00 -1.10 -1.97 119.26 117.47 2uup h ALA 84 Ca 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2uup h ALA 84 Cb 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2uup h ALA 84 CO -0.04 0.25 0.33 0.00 0.00 0.00 0.00 179.25 179.79 2uup h ALA 85 N 1.05 0.71 -0.39 0.00 0.00 -0.83 -1.87 119.26 117.95 2uup h ALA 85 Ca 0.17 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2uup h ALA 85 Cb 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2uup h ALA 85 CO -0.02 0.21 0.27 -0.44 0.00 0.00 0.00 179.25 179.27 2uup h ASP 86 N 0.75 0.16 0.48 0.00 3.32 -0.64 0.05 116.42 120.54 2uup h ASP 86 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2uup h ASP 86 Cb 0.00 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2uup h ASP 86 CO -0.04 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.58 2uup n ALA 87 N -2.56 2.42 -0.89 3.45 0.00 -0.78 -4.90 120.51 117.26 2uup n ALA 87 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2uup n ALA 87 Cb 0.33 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2uup n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uup n GLY 88 N 1.09 0.47 3.70 0.00 0.00 0.01 -5.03 105.19 105.43 2uup n GLY 88 Ca 0.14 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 2uup n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2uup s ILE 89 N -2.00 4.91 0.10 -0.61 1.01 -0.77 -4.98 121.20 118.85 2uup s ILE 89 Ca 0.00 1.77 -0.31 0.00 0.00 0.00 0.00 60.65 62.11 2uup s ILE 89 Cb 0.00 -4.19 -0.09 0.00 0.01 0.00 0.00 42.46 38.19 2uup s ILE 89 CO 0.00 0.12 1.57 -0.70 0.00 0.00 0.00 174.94 175.93 2uup s GLU 90 N 1.44 4.23 -0.12 2.79 2.12 -1.26 -4.37 118.70 123.53 2uup s GLU 90 Ca 0.44 2.27 0.03 0.00 0.36 0.00 0.00 54.97 58.06 2uup s GLU 90 Cb -0.18 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.80 2uup s GLU 90 CO 0.19 -0.64 -0.22 0.42 -0.54 0.00 0.00 175.26 174.48 2uup s ILE 91 N 1.94 2.17 0.38 -3.70 1.01 -1.26 -0.90 121.20 120.84 2uup s ILE 91 Ca 0.70 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 60.44 2uup s ILE 91 Cb -0.40 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 2uup s ILE 91 CO 0.31 0.55 0.16 0.68 0.00 0.00 0.00 174.94 176.64 2uup s VAL 92 N 0.60 0.46 0.21 2.92 -7.23 -0.33 -4.96 120.40 112.09 2uup s VAL 92 Ca -0.12 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.07 2uup s VAL 92 Cb -0.17 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.37 2uup s VAL 92 CO 0.03 0.00 0.05 0.61 -0.31 0.00 0.00 175.10 175.48 2uup n GLY 93 N -0.81 3.75 0.34 2.32 0.00 -1.19 -0.66 105.19 108.93 2uup n GLY 93 Ca -0.03 -2.10 -0.03 0.00 0.00 0.00 0.00 46.02 43.86 2uup n GLY 93 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2uup h ASP 94 N 0.74 0.99 -0.78 1.61 2.03 -1.93 -2.60 116.42 116.47 2uup h ASP 94 Ca -0.17 -0.12 -0.03 0.00 -0.73 0.00 0.00 57.03 55.98 2uup h ASP 94 Cb 0.60 -0.26 -0.04 0.00 -0.83 0.00 0.00 39.33 38.81 2uup h ASP 94 CO 0.27 0.85 0.35 0.40 -1.03 0.00 0.00 179.24 180.09 2uup h ILE 95 N 1.08 1.25 -0.19 4.15 1.08 -1.94 -0.89 117.51 122.06 2uup h ILE 95 Ca 0.26 -0.74 0.01 0.00 -0.39 0.00 0.00 64.86 64.01 2uup h ILE 95 Cb 0.13 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 34.15 2uup h ILE 95 CO -0.03 0.31 0.09 -0.08 -0.69 0.00 0.00 178.15 177.75 2uup h GLU 96 N 1.11 0.19 -0.83 2.37 4.57 -1.73 0.17 114.58 120.43 2uup h GLU 96 Ca 0.27 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.51 2uup h GLU 96 Cb 0.15 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.63 2uup h GLU 96 CO -0.03 0.13 0.50 -0.07 -1.18 0.00 0.00 179.01 178.35 2uup h LEU 97 N 0.19 0.75 0.12 1.64 3.38 -1.20 -2.25 115.31 117.94 2uup h LEU 97 Ca 0.08 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2uup h LEU 97 Cb 0.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2uup h LEU 97 CO -0.06 0.46 -0.06 0.15 0.09 0.00 0.00 178.44 179.02 2uup h PHE 98 N 0.87 -0.15 -0.51 1.13 3.57 -0.73 -3.13 116.94 118.00 2uup h PHE 98 Ca 0.38 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.92 2uup h PHE 98 Cb 0.26 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 2uup h PHE 98 CO -0.05 0.01 0.34 0.00 -2.23 0.00 0.00 178.31 176.39 2uup h ARG 100 N 0.52 0.00 0.00 0.00 3.08 -1.35 -3.27 114.38 113.36 2uup h ARG 100 Ca 0.21 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.13 2uup h ARG 100 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2uup h ARG 100 CO -0.06 0.00 -1.50 0.39 -1.07 0.00 0.00 179.97 177.74 2uup n GLU 101 N -2.40 2.71 -1.62 0.04 -0.58 -0.46 -4.52 120.64 113.82 2uup n GLU 101 Ca 0.02 -0.00 -0.47 0.00 -0.42 0.00 0.00 57.16 56.29 2uup n GLU 101 Cb 0.24 -1.18 -0.03 0.00 -0.57 0.00 0.00 31.44 29.89 2uup n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2uup n ALA 102 N -2.29 0.14 -0.80 0.62 0.00 -0.02 -4.91 120.51 113.26 2uup n ALA 102 Ca -0.12 0.44 0.08 0.00 0.00 0.00 0.00 53.44 53.84 2uup n ALA 102 Cb 0.73 -2.15 0.19 0.00 0.00 0.00 0.00 19.45 18.23 2uup n ALA 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2uup n GLN 103 N 1.89 2.52 -4.22 0.00 1.13 -1.26 -4.98 117.38 112.46 2uup n GLN 103 Ca 0.13 -2.54 -0.13 0.00 -1.94 0.00 0.00 57.00 52.53 2uup n GLN 103 Cb 0.28 -1.60 -0.10 0.00 0.11 0.00 0.00 30.24 28.93 2uup n GLN 103 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2uup s ALA 104 N -2.39 1.26 0.58 -1.58 0.00 -1.26 -5.02 121.76 113.34 2uup s ALA 104 Ca 0.33 -1.46 -0.20 0.00 0.00 0.00 0.00 51.96 50.63 2uup s ALA 104 Cb 0.26 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 2uup s ALA 104 CO 0.08 -0.19 1.25 -2.30 0.00 0.00 0.00 175.76 174.60 2uup n PRO 105 N -0.15 1.38 -4.68 0.00 -0.02 -1.26 -4.74 135.00 125.53 2uup n PRO 105 Ca -0.10 0.52 -0.33 0.00 -2.02 0.00 0.00 63.50 61.57 2uup n PRO 105 Cb 0.61 -2.46 -0.16 0.00 -0.02 0.00 0.00 33.50 31.47 2uup n PRO 105 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2uup s ILE 106 N -1.35 2.33 -0.17 4.25 1.01 -1.26 -1.09 121.20 124.92 2uup s ILE 106 Ca 0.75 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 60.36 2uup s ILE 106 Cb -0.41 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 2uup s ILE 106 CO 0.47 0.54 0.35 -0.69 0.00 0.00 0.00 174.94 175.60 2uup s VAL 107 N 0.75 5.26 -0.10 2.92 1.01 -0.01 -1.13 120.40 129.10 2uup s VAL 107 Ca -0.08 0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.58 2uup s VAL 107 Cb -0.16 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.54 2uup s VAL 107 CO 0.00 0.34 -0.18 0.00 0.00 0.00 0.00 175.10 175.26 2uup s ALA 108 N 0.74 1.84 -0.07 5.51 0.00 -0.58 -0.91 121.76 128.29 2uup s ALA 108 Ca 0.19 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.37 2uup s ALA 108 Cb -0.14 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.18 2uup s ALA 108 CO 0.06 0.06 -0.16 0.42 0.00 0.00 0.00 175.76 176.14 2uup s ILE 109 N 0.74 1.42 0.16 0.00 1.01 -0.36 -1.59 121.20 122.58 2uup s ILE 109 Ca -0.11 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 59.90 2uup s ILE 109 Cb -0.16 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 2uup s ILE 109 CO 0.02 0.42 0.18 1.07 0.00 0.00 0.00 174.94 176.62 2uup n THR 110 N 3.64 0.00 0.00 2.92 5.66 -0.52 -0.68 114.28 125.30 2uup n THR 110 Ca -0.21 -1.04 0.00 0.00 -3.05 0.00 0.00 64.05 59.75 2uup n THR 110 Cb 0.52 0.56 0.00 0.00 -1.55 0.00 0.00 70.33 69.86 2uup n THR 110 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2uup n GLY 111 N -0.29 3.84 0.17 1.09 0.00 -1.26 -0.47 105.19 108.26 2uup n GLY 111 Ca 0.02 -1.71 -0.04 0.00 0.00 0.00 0.00 46.02 44.29 2uup n GLY 111 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2uup h SER 112 N 0.00 0.24 -4.59 1.61 0.02 -1.66 -3.43 113.55 105.74 2uup h SER 112 Ca 0.00 -0.13 -0.18 0.00 -0.84 0.00 0.00 61.79 60.64 2uup h SER 112 Cb 0.00 -0.07 -0.23 0.00 0.14 0.00 0.00 62.40 62.24 2uup h SER 112 CO 0.00 0.78 -0.63 0.21 -1.14 0.00 0.00 176.83 176.04 2uup s ASN 113 N -6.89 0.09 0.00 3.07 3.04 -1.26 -4.90 114.94 108.09 2uup s ASN 113 Ca -0.04 -0.24 0.00 0.00 0.04 0.00 0.00 52.86 52.63 2uup s ASN 113 Cb 0.12 0.13 0.00 0.00 -1.54 0.00 0.00 41.25 39.96 2uup s ASN 113 CO 0.79 -0.23 0.00 0.61 -3.04 0.00 0.00 177.10 175.23 2uup n GLY 114 N 2.02 0.77 0.23 1.21 0.00 -1.26 -4.67 105.19 103.49 2uup n GLY 114 Ca -0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 2uup n GLY 114 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2uup h LYS 115 N 3.67 0.50 -0.21 1.61 2.10 -1.88 0.02 116.57 122.38 2uup h LYS 115 Ca 0.00 -0.21 -0.20 0.00 -2.00 0.00 0.00 60.65 58.23 2uup h LYS 115 Cb 0.00 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 2uup h LYS 115 CO 0.00 0.75 -0.67 0.77 -2.00 0.00 0.00 179.45 178.30 2uup h SER 116 N 0.43 0.92 -0.08 7.07 0.02 -1.95 -1.03 113.55 118.94 2uup h SER 116 Ca 0.06 -0.55 -0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2uup h SER 116 Cb 0.75 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 2uup h SER 116 CO 0.06 1.35 0.03 0.74 -1.14 0.00 0.00 176.83 177.87 2uup h THR 117 N 0.58 1.14 -0.42 -2.27 2.02 -1.93 -0.04 112.91 111.98 2uup h THR 117 Ca -0.02 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.70 2uup h THR 117 Cb 1.28 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 2uup h THR 117 CO 0.14 0.12 0.04 0.58 0.37 0.00 0.00 175.52 176.77 2uup h VAL 118 N -0.03 1.25 -0.21 3.16 2.07 -0.99 0.19 116.25 121.70 2uup h VAL 118 Ca 0.03 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.65 2uup h VAL 118 Cb 0.16 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2uup h VAL 118 CO -0.00 0.32 -0.03 0.74 0.02 0.00 0.00 177.57 178.62 2uup h THR 119 N 0.56 0.82 -0.66 2.57 2.02 -1.13 -0.11 112.91 116.99 2uup h THR 119 Ca 0.12 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 2uup h THR 119 Cb 0.42 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 2uup h THR 119 CO 0.01 0.01 0.32 0.74 0.37 0.00 0.00 175.52 176.97 2uup h THR 120 N 0.03 1.22 -0.25 3.16 2.02 -0.82 -1.80 112.91 116.48 2uup h THR 120 Ca 0.10 -0.62 0.01 0.00 0.77 0.00 0.00 66.41 66.66 2uup h THR 120 Cb 0.14 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2uup h THR 120 CO -0.19 0.26 0.15 -0.07 0.37 0.00 0.00 175.52 176.04 2uup h LEU 121 N 0.91 0.25 -1.00 2.58 3.38 -0.54 -0.77 115.31 120.12 2uup h LEU 121 Ca 0.23 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.20 2uup h LEU 121 Cb 0.12 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2uup h LEU 121 CO -0.03 0.19 0.64 0.58 0.09 0.00 0.00 178.44 179.91 2uup h VAL 122 N 0.32 1.26 -0.39 1.22 2.07 -0.90 0.13 116.25 119.95 2uup h VAL 122 Ca 0.10 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.19 2uup h VAL 122 Cb -0.02 -0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 29.51 2uup h VAL 122 CO -0.04 0.25 0.08 1.23 0.02 0.00 0.00 177.57 179.11 2uup h GLY 123 N 1.35 0.46 1.69 2.17 0.00 -0.91 -1.11 103.07 106.72 2uup h GLY 123 Ca 0.36 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.60 2uup h GLY 123 CO -0.08 -0.03 -0.14 0.83 0.00 0.00 0.00 176.54 177.12 2uup h GLU 124 N 0.21 0.38 -0.50 4.80 4.39 -0.26 -0.68 114.58 122.91 2uup h GLU 124 Ca 0.19 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 2uup h GLU 124 Cb 0.23 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2uup h GLU 124 CO -0.25 0.52 0.15 0.52 -1.16 0.00 0.00 179.01 178.80 2uup h MET 125 N 0.35 0.79 -0.39 2.33 2.86 -0.60 -0.31 114.93 119.96 2uup h MET 125 Ca 0.07 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 2uup h MET 125 Cb 0.47 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2uup h MET 125 CO 0.03 0.74 0.01 0.00 1.06 0.00 0.00 176.91 178.75 2uup h ALA 126 N 1.02 0.53 -0.90 6.32 0.00 -0.82 -2.63 119.26 122.76 2uup h ALA 126 Ca 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2uup h ALA 126 Cb 0.28 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2uup h ALA 126 CO -0.00 0.29 0.53 0.87 0.00 0.00 0.00 179.25 180.94 2uup h LYS 127 N 0.51 1.23 0.00 0.00 1.57 -1.03 -1.67 116.57 117.18 2uup h LYS 127 Ca 0.11 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2uup h LYS 127 Cb 0.45 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 2uup h LYS 127 CO 0.02 0.87 -0.14 0.00 -0.57 0.00 0.00 179.45 179.63 2uup h ALA 128 N 1.34 1.69 -0.00 3.86 0.00 -0.90 -1.82 119.26 123.43 2uup h ALA 128 Ca 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2uup h ALA 128 Cb -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2uup h ALA 128 CO -0.06 0.17 -0.01 0.00 0.00 0.00 0.00 179.25 179.35 2uup n ALA 129 N -2.48 2.66 -1.68 0.00 0.00 -0.73 -4.90 120.51 113.38 2uup n ALA 129 Ca -0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.10 2uup n ALA 129 Cb 0.21 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 2uup n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uup n GLY 130 N 1.09 0.46 3.79 0.00 0.00 -0.69 -5.02 105.19 104.82 2uup n GLY 130 Ca 0.21 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 2uup n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uup s VAL 131 N -2.27 4.77 -0.66 1.61 1.01 -0.71 -5.02 120.40 119.14 2uup s VAL 131 Ca 0.00 1.27 -0.27 0.00 0.00 0.00 0.00 61.98 62.97 2uup s VAL 131 Cb 0.00 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.48 2uup s VAL 131 CO 0.00 0.50 1.23 0.21 0.00 0.00 0.00 175.10 177.04 2uup s ASN 132 N -0.78 6.30 0.00 3.32 3.84 -1.26 -4.30 114.94 122.07 2uup s ASN 132 Ca 0.30 -0.19 0.05 0.00 0.21 0.00 0.00 52.86 53.24 2uup s ASN 132 Cb -0.19 -2.55 -0.03 0.00 -0.55 0.00 0.00 41.25 37.92 2uup s ASN 132 CO 0.19 -1.65 -0.15 0.54 -2.79 0.00 0.00 177.10 173.24 2uup s VAL 133 N 5.31 3.00 -0.17 -5.21 0.11 -1.26 -0.30 120.40 121.87 2uup s VAL 133 Ca 0.39 -0.95 -0.02 0.00 -2.93 0.00 0.00 61.98 58.46 2uup s VAL 133 Cb -0.08 -2.23 -0.01 0.00 -1.53 0.00 0.00 36.38 32.53 2uup s VAL 133 CO 0.20 0.45 -0.09 -0.83 -3.33 0.00 0.00 175.10 171.50 2uup s GLY 134 N -1.16 1.58 -0.10 6.54 0.00 -0.07 -4.98 107.32 109.13 2uup s GLY 134 Ca 0.14 -1.02 0.04 0.00 0.00 0.00 0.00 44.72 43.88 2uup s GLY 134 CO 0.04 0.12 -0.23 0.14 0.00 0.00 0.00 173.10 173.17 2uup s VAL 135 N 0.89 1.98 -0.43 1.40 1.01 -1.26 -1.07 120.40 122.91 2uup s VAL 135 Ca -0.02 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2uup s VAL 135 Cb -0.15 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.51 2uup s VAL 135 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2uup n GLY 136 N 3.62 -0.87 0.00 4.51 0.00 -0.73 -4.47 105.19 107.25 2uup n GLY 136 Ca -0.19 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2uup n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uup n GLY 137 N 0.00 0.81 0.00 -0.02 0.00 0.15 -1.40 105.19 104.74 2uup n GLY 137 Ca 0.00 -1.12 0.12 0.00 0.00 0.00 0.00 46.02 45.02 2uup n GLY 137 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2uup n ASN 138 N 0.00 0.00 -4.46 1.61 5.15 0.79 -4.15 115.26 114.20 2uup n ASN 138 Ca 0.00 0.31 -0.27 0.00 -0.60 0.00 0.00 54.58 54.02 2uup n ASN 138 Cb 0.00 -0.43 -0.11 0.00 -0.53 0.00 0.00 39.78 38.71 2uup n ASN 138 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2uup s ILE 139 N -2.86 2.59 0.00 -1.44 2.07 -1.26 -5.03 121.20 115.27 2uup s ILE 139 Ca 0.16 -1.91 0.00 0.00 -1.41 0.00 0.00 60.65 57.49 2uup s ILE 139 Cb 0.16 -2.25 0.00 0.00 0.13 0.00 0.00 42.46 40.51 2uup s ILE 139 CO 0.43 -0.10 0.00 0.61 -1.91 0.00 0.00 174.94 173.97 2uup n GLY 140 N 0.24 2.69 3.76 1.50 0.00 -1.26 -4.34 105.19 107.78 2uup n GLY 140 Ca -0.12 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 2uup n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2uup s LEU 141 N 0.00 4.47 0.37 0.99 1.43 -1.26 -4.72 118.68 119.96 2uup s LEU 141 Ca 0.00 2.51 -0.26 0.00 -1.03 0.00 0.00 54.13 55.35 2uup s LEU 141 Cb 0.00 -3.64 -0.11 0.00 0.03 0.00 0.00 46.19 42.47 2uup s LEU 141 CO 0.00 -0.41 1.16 -2.65 0.23 0.00 0.00 176.35 174.68 2uup n PRO 142 N 1.21 1.73 -0.28 1.29 -0.02 -1.26 -0.67 135.00 136.99 2uup n PRO 142 Ca 0.01 0.61 0.10 0.00 -2.02 0.00 0.00 63.50 62.20 2uup n PRO 142 Cb 0.43 -2.18 0.25 0.00 -0.02 0.00 0.00 33.50 31.98 2uup n PRO 142 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uup h ALA 143 N 2.06 1.17 -0.09 3.55 0.00 -1.90 -0.69 119.26 123.35 2uup h ALA 143 Ca -0.45 0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.69 2uup h ALA 143 Cb 1.31 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 2uup h ALA 143 CO 0.60 -0.41 0.08 -0.07 0.00 0.00 0.00 179.25 179.44 2uup h LEU 144 N 0.24 0.00 -0.04 0.00 3.38 -1.89 0.68 115.31 117.68 2uup h LEU 144 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2uup h LEU 144 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2uup h LEU 144 CO -0.60 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.16 2uup n MET 145 N -4.18 0.02 0.08 1.13 2.81 -0.27 -3.15 117.12 113.56 2uup n MET 145 Ca -0.01 0.17 0.12 0.00 -1.81 0.00 0.00 57.70 56.16 2uup n MET 145 Cb 0.18 -1.53 0.03 0.00 -0.71 0.00 0.00 33.22 31.19 2uup n MET 145 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2uup n LEU 146 N -1.57 0.75 -4.68 4.03 4.77 0.23 -4.95 117.00 115.59 2uup n LEU 146 Ca 0.05 0.25 -0.46 0.00 -0.03 0.00 0.00 56.01 55.81 2uup n LEU 146 Cb 0.24 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 2uup n LEU 146 CO 0.19 -0.12 1.51 0.18 -1.33 0.00 0.00 177.39 177.82 2uup n LEU 147 N -2.44 3.64 -3.64 2.23 4.77 -1.19 -4.93 117.00 115.44 2uup n LEU 147 Ca 0.01 0.96 -0.02 0.00 -0.03 0.00 0.00 56.01 56.93 2uup n LEU 147 Cb 0.51 -1.42 -0.05 0.00 -2.33 0.00 0.00 43.42 40.14 2uup n LEU 147 CO 0.40 0.01 0.30 -0.62 -1.33 0.00 0.00 177.39 176.15 2uup s ASP 148 N 3.96 -1.07 0.45 -1.43 2.15 -1.26 -5.04 116.67 114.43 2uup s ASP 148 Ca 0.91 1.52 0.29 0.00 0.43 0.00 0.00 52.55 55.69 2uup s ASP 148 Cb -0.62 2.04 1.57 0.00 -0.30 0.00 0.00 42.92 45.61 2uup s ASP 148 CO 0.48 -0.22 1.88 0.44 -0.17 0.00 0.00 175.17 177.58 2uup h ASP 149 N 7.70 0.00 0.10 -0.34 5.19 -1.99 -0.18 116.42 126.90 2uup h ASP 149 Ca -0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 2uup h ASP 149 Cb 1.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.64 2uup h ASP 149 CO 0.12 0.00 -0.51 -0.62 -3.12 0.00 0.00 179.24 175.11 2uup n GLU 150 N -2.53 0.81 -2.14 3.56 1.02 -1.26 -4.92 120.64 115.17 2uup n GLU 150 Ca -0.02 -0.61 -0.41 0.00 -0.02 0.00 0.00 57.16 56.10 2uup n GLU 150 Cb 0.08 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 2uup n GLU 150 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2uup n GLU 152 N 2.04 1.13 -3.62 0.00 1.02 0.58 -4.62 120.64 117.17 2uup n GLU 152 Ca 0.05 -0.06 -0.14 0.00 -0.02 0.00 0.00 57.16 56.99 2uup n GLU 152 Cb 0.42 -1.33 -0.07 0.00 -0.02 0.00 0.00 31.44 30.44 2uup n GLU 152 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2uup s LEU 153 N -3.35 -0.70 -0.02 -4.62 2.96 -1.14 -4.37 118.68 107.44 2uup s LEU 153 Ca 0.01 1.33 0.04 0.00 -0.22 0.00 0.00 54.13 55.29 2uup s LEU 153 Cb 0.12 2.39 -0.03 0.00 0.50 0.00 0.00 46.19 49.17 2uup s LEU 153 CO 0.69 -0.26 -0.11 -0.31 -1.32 0.00 0.00 176.35 175.04 2uup s TYR 154 N 0.27 2.77 -0.20 5.38 2.02 -0.25 -0.89 117.35 126.45 2uup s TYR 154 Ca -0.00 -0.11 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 2uup s TYR 154 Cb -0.05 -1.60 0.05 0.00 -0.40 0.00 0.00 41.96 39.96 2uup s TYR 154 CO 0.01 0.28 -0.02 0.08 -1.57 0.00 0.00 175.55 174.32 2uup s VAL 155 N -0.86 1.07 -0.10 0.71 1.01 -0.23 -0.83 120.40 121.16 2uup s VAL 155 Ca 0.14 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2uup s VAL 155 Cb -0.11 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 2uup s VAL 155 CO 0.04 -0.07 -0.19 -0.76 0.00 0.00 0.00 175.10 174.12 2uup s LEU 156 N 1.62 2.39 -0.10 3.92 1.43 -0.08 -1.78 118.68 126.08 2uup s LEU 156 Ca -0.02 -0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 52.40 2uup s LEU 156 Cb -0.17 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 2uup s LEU 156 CO -0.07 0.19 0.78 -0.70 0.23 0.00 0.00 176.35 176.77 2uup s GLU 157 N 0.19 4.40 -0.13 1.70 2.12 -0.49 -1.23 118.70 125.27 2uup s GLU 157 Ca -0.11 0.99 0.02 0.00 0.36 0.00 0.00 54.97 56.23 2uup s GLU 157 Cb -0.16 -3.50 0.01 0.00 0.26 0.00 0.00 34.13 30.74 2uup s GLU 157 CO 0.06 -0.09 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.98 2uup s LEU 158 N 1.31 2.01 0.65 2.70 1.43 0.14 -0.15 118.68 126.78 2uup s LEU 158 Ca 0.39 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 2uup s LEU 158 Cb -0.18 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 2uup s LEU 158 CO 0.17 0.07 1.05 -0.94 0.23 0.00 0.00 176.35 176.94 2uup s SER 159 N 0.80 5.89 0.34 2.29 1.04 -1.26 -4.30 113.70 118.51 2uup s SER 159 Ca -0.08 1.38 0.07 0.00 0.48 0.00 0.00 55.95 57.80 2uup s SER 159 Cb -0.16 -2.34 0.76 0.00 0.10 0.00 0.00 66.02 64.38 2uup s SER 159 CO -0.01 -1.08 1.87 0.77 0.98 0.00 0.00 173.24 175.77 2uup h SER 160 N -0.47 0.71 -0.51 7.02 4.64 -1.94 -1.11 113.55 121.89 2uup h SER 160 Ca -0.44 0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 60.86 2uup h SER 160 Cb 1.21 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2uup h SER 160 CO 0.62 0.38 0.11 -0.26 -0.87 0.00 0.00 176.83 176.80 2uup h PHE 161 N 0.76 0.87 -0.66 4.77 0.04 -1.93 -1.65 116.94 119.13 2uup h PHE 161 Ca 0.44 -0.11 -0.07 0.00 2.80 0.00 0.00 57.97 61.03 2uup h PHE 161 Cb 0.62 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 2uup h PHE 161 CO -0.00 0.78 0.12 1.96 -0.60 0.00 0.00 178.31 180.57 2uup h GLN 162 N 0.71 1.08 -0.52 1.51 4.20 -1.71 -2.92 115.11 117.45 2uup h GLN 162 Ca 0.16 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 2uup h GLN 162 Cb 0.36 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2uup h GLN 162 CO 0.00 0.98 0.13 -0.07 -0.67 0.00 0.00 178.83 179.20 2uup h LEU 163 N 1.02 0.74 -1.70 1.46 3.38 -0.83 -2.74 115.31 116.64 2uup h LEU 163 Ca 0.21 -0.13 0.19 0.00 0.09 0.00 0.00 57.88 58.24 2uup h LEU 163 Cb 0.41 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 2uup h LEU 163 CO 0.01 0.73 0.55 -0.33 0.09 0.00 0.00 178.44 179.48 2uup h GLU 164 N 0.77 0.25 -0.62 1.13 5.08 -1.11 -2.01 114.58 118.08 2uup h GLU 164 Ca 0.17 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2uup h GLU 164 Cb 0.28 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2uup h GLU 164 CO -0.00 0.17 0.00 0.25 -1.00 0.00 0.00 179.01 178.42 2uup n THR 165 N -4.43 1.25 -4.61 1.13 -2.24 -1.04 -4.94 114.28 99.40 2uup n THR 165 Ca 0.16 -1.08 -0.34 0.00 -2.27 0.00 0.00 64.05 60.53 2uup n THR 165 Cb 0.70 0.38 -0.12 0.00 -2.10 0.00 0.00 70.33 69.19 2uup n THR 165 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2uup s THR 166 N -1.27 3.61 0.00 4.28 2.01 -0.76 -3.15 115.64 120.36 2uup s THR 166 Ca 0.44 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.95 2uup s THR 166 Cb 0.25 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 70.25 2uup s THR 166 CO 0.27 0.56 0.00 -1.54 -0.69 0.00 0.00 174.62 173.22 2uup n SER 167 N 2.80 1.22 -0.95 3.53 3.41 -1.26 -4.88 113.62 117.48 2uup n SER 167 Ca -0.18 -0.03 0.08 0.00 -0.26 0.00 0.00 58.87 58.48 2uup n SER 167 Cb 0.53 0.31 0.23 0.00 -0.26 0.00 0.00 64.21 65.01 2uup n SER 167 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2uup n SER 168 N -0.43 3.53 -4.71 4.04 7.64 -1.26 -4.97 113.62 117.46 2uup n SER 168 Ca 0.00 -2.19 -0.42 0.00 1.01 0.00 0.00 58.87 57.26 2uup n SER 168 Cb 0.00 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 62.80 2uup n SER 168 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2uup s LEU 169 N -1.36 4.35 -0.55 -3.43 2.96 -1.26 -4.79 118.68 114.61 2uup s LEU 169 Ca 0.35 2.22 0.04 0.00 -0.22 0.00 0.00 54.13 56.53 2uup s LEU 169 Cb 0.21 -3.58 0.17 0.00 0.50 0.00 0.00 46.19 43.48 2uup s LEU 169 CO 0.20 -0.65 0.40 -1.10 -1.32 0.00 0.00 176.35 173.88 2uup s GLN 170 N 1.50 1.64 0.34 1.98 -0.21 -1.26 -4.63 119.66 119.02 2uup s GLN 170 Ca 0.64 -2.65 -0.27 0.00 0.02 0.00 0.00 55.36 53.09 2uup s GLN 170 Cb -0.34 -2.40 -0.09 0.00 1.00 0.00 0.00 33.01 31.17 2uup s GLN 170 CO 0.29 -1.32 1.16 0.00 -2.12 0.00 0.00 175.29 173.30 2uup s ALA 171 N -0.59 3.32 0.30 6.09 0.00 -1.25 -4.74 121.76 124.88 2uup s ALA 171 Ca 0.28 0.98 0.01 0.00 0.00 0.00 0.00 51.96 53.23 2uup s ALA 171 Cb -0.03 -3.37 0.46 0.00 0.00 0.00 0.00 23.12 20.18 2uup s ALA 171 CO -0.16 -0.39 1.83 -0.24 0.00 0.00 0.00 175.76 176.79 2uup h VAL 172 N 2.75 1.22 -2.73 0.00 3.04 -1.48 0.59 116.25 119.63 2uup h VAL 172 Ca -0.48 -0.86 -0.13 0.00 -1.01 0.00 0.00 66.70 64.23 2uup h VAL 172 Cb 1.22 0.83 -0.26 0.00 -2.01 0.00 0.00 31.29 31.08 2uup h VAL 172 CO 0.65 0.30 -0.29 0.00 -1.01 0.00 0.00 177.57 177.22 2uup s ALA 173 N -5.06 -0.98 0.01 3.17 0.00 -1.25 -2.60 121.76 115.06 2uup s ALA 173 Ca -0.09 1.30 0.01 0.00 0.00 0.00 0.00 51.96 53.19 2uup s ALA 173 Cb 0.15 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 2uup s ALA 173 CO 0.79 -0.22 -0.05 0.00 0.00 0.00 0.00 175.76 176.28 2uup s ALA 174 N 0.86 0.35 0.04 0.00 0.00 -0.62 -1.53 121.76 120.85 2uup s ALA 174 Ca -0.05 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.55 2uup s ALA 174 Cb -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2uup s ALA 174 CO -0.07 0.02 -0.09 -0.08 0.00 0.00 0.00 175.76 175.55 2uup s THR 175 N -0.62 0.62 -0.31 0.00 -1.32 -0.62 -0.43 115.64 112.96 2uup s THR 175 Ca -0.04 -0.98 -0.07 0.00 -1.21 0.00 0.00 61.69 59.39 2uup s THR 175 Cb -0.05 -0.65 0.01 0.00 -1.51 0.00 0.00 72.50 70.31 2uup s THR 175 CO -0.00 -0.27 0.09 -0.63 -2.21 0.00 0.00 174.62 171.61 2uup s ILE 176 N -1.15 3.99 0.24 5.08 1.01 -1.24 -1.44 121.20 127.70 2uup s ILE 176 Ca -0.07 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 59.86 2uup s ILE 176 Cb -0.09 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 2uup s ILE 176 CO 0.01 0.01 1.58 -0.07 0.00 0.00 0.00 174.94 176.47 2uup h LEU 177 N 8.25 0.28 -7.04 2.97 3.38 -1.09 -3.38 115.31 118.68 2uup h LEU 177 Ca -0.30 -0.16 0.31 0.00 0.09 0.00 0.00 57.88 57.83 2uup h LEU 177 Cb 1.12 -0.08 -0.18 0.00 0.09 0.00 0.00 40.66 41.61 2uup h LEU 177 CO 0.61 0.80 0.89 0.54 0.09 0.00 0.00 178.44 181.36 2uup s ASN 178 N -6.89 -0.07 -0.22 -0.43 2.20 -1.26 -4.66 114.94 103.61 2uup s ASN 178 Ca -0.04 -0.02 -0.04 0.00 -0.94 0.00 0.00 52.86 51.82 2uup s ASN 178 Cb 0.12 0.09 0.07 0.00 -2.00 0.00 0.00 41.25 39.53 2uup s ASN 178 CO 0.80 -0.15 0.09 -0.69 -2.94 0.00 0.00 177.10 174.20 2uup s VAL 179 N -2.25 0.15 0.20 3.54 1.01 -1.26 -1.68 120.40 120.11 2uup s VAL 179 Ca 0.12 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.67 2uup s VAL 179 Cb 0.01 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 2uup s VAL 179 CO -0.04 -0.40 -0.14 0.42 0.00 0.00 0.00 175.10 174.93 2uup s THR 180 N 2.02 1.70 -0.01 3.92 -4.23 -1.26 -4.97 115.64 112.80 2uup s THR 180 Ca 0.04 -2.16 -0.35 0.00 -1.18 0.00 0.00 61.69 58.03 2uup s THR 180 Cb -0.16 -2.00 -0.13 0.00 1.34 0.00 0.00 72.50 71.54 2uup s THR 180 CO -0.17 -0.58 1.72 1.21 -0.54 0.00 0.00 174.62 176.26 2uup n GLU 181 N -0.28 1.95 -3.51 3.99 2.13 -1.26 -4.87 120.64 118.79 2uup n GLU 181 Ca -0.09 0.71 -0.11 0.00 0.66 0.00 0.00 57.16 58.33 2uup n GLU 181 Cb 0.60 -2.49 -0.02 0.00 0.27 0.00 0.00 31.44 29.80 2uup n GLU 181 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2uup s ASP 182 N 2.65 -0.51 -1.58 4.31 2.15 -1.26 -4.50 116.67 117.94 2uup s ASP 182 Ca 0.88 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.74 2uup s ASP 182 Cb -0.76 0.63 0.00 0.00 -0.30 0.00 0.00 42.92 42.49 2uup s ASP 182 CO 0.48 -1.05 0.00 1.41 -0.17 0.00 0.00 175.17 175.85 2uup n HIS 183 N -0.40 -1.09 0.26 -5.34 8.25 -1.26 -4.85 115.22 110.79 2uup n HIS 183 Ca -0.14 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.46 2uup n HIS 183 Cb 0.64 -3.60 0.71 0.00 1.12 0.00 0.00 29.99 28.85 2uup n HIS 183 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2uup h MET 184 N 0.00 0.00 0.00 -0.41 2.86 -1.87 0.13 114.93 115.64 2uup h MET 184 Ca -0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 2uup h MET 184 Cb 1.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.98 2uup h MET 184 CO 0.52 0.11 0.00 -0.40 1.06 0.00 0.00 176.91 178.20 2uup n ASP 185 N -3.42 0.55 -0.12 1.22 5.75 -1.08 -2.35 116.55 117.10 2uup n ASP 185 Ca -0.01 0.72 0.02 0.00 -0.01 0.00 0.00 54.79 55.51 2uup n ASP 185 Cb 0.28 -0.80 0.00 0.00 -1.03 0.00 0.00 41.12 39.57 2uup n ASP 185 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2uup n ARG 186 N -2.20 1.68 -3.63 0.11 5.12 0.00 -4.84 116.66 112.91 2uup n ARG 186 Ca -0.00 -0.51 -0.27 0.00 -1.93 0.00 0.00 57.85 55.13 2uup n ARG 186 Cb 0.08 -0.95 -0.11 0.00 -1.16 0.00 0.00 32.46 30.32 2uup n ARG 186 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2uup n TYR 187 N -0.20 1.35 0.64 -1.55 4.01 -0.99 -4.96 117.16 115.46 2uup n TYR 187 Ca 0.02 -3.85 0.07 0.00 -0.16 0.00 0.00 57.90 53.99 2uup n TYR 187 Cb 0.10 -0.24 0.36 0.00 -0.31 0.00 0.00 39.34 39.25 2uup n TYR 187 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2uup n PRO 188 N 2.23 0.14 -0.90 -0.72 -0.04 -1.26 -0.75 135.00 133.70 2uup n PRO 188 Ca 0.25 0.18 0.07 0.00 -0.04 0.00 0.00 63.50 63.96 2uup n PRO 188 Cb 0.42 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.78 2uup n PRO 188 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2uup n PHE 189 N -1.36 2.09 -4.24 0.54 3.01 -1.26 -5.06 117.46 111.17 2uup n PHE 189 Ca 0.06 -0.74 0.00 0.00 1.01 0.00 0.00 57.45 57.78 2uup n PHE 189 Cb 0.14 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 39.09 2uup n PHE 189 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2uup n GLY 190 N 0.59 -0.52 0.34 1.37 0.00 0.07 -3.73 105.19 103.32 2uup n GLY 190 Ca 0.28 -1.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.15 2uup n GLY 190 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2uup h LEU 191 N 0.00 1.07 -1.01 0.99 5.85 -1.97 -2.02 115.31 118.22 2uup h LEU 191 Ca 0.00 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 2uup h LEU 191 Cb 0.00 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 2uup h LEU 191 CO 0.00 0.89 -0.30 1.56 -0.34 0.00 0.00 178.44 180.25 2uup h GLN 192 N 1.17 0.00 -0.09 1.25 1.08 -1.99 0.88 115.11 117.42 2uup h GLN 192 Ca 0.29 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.37 2uup h GLN 192 Cb 0.09 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2uup h GLN 192 CO -0.04 0.30 -0.42 0.37 -0.95 0.00 0.00 178.83 178.09 2uup h GLN 193 N 0.00 0.44 -0.25 1.46 4.15 -1.46 -0.68 115.11 118.77 2uup h GLN 193 Ca -0.00 -0.36 0.05 0.00 0.77 0.00 0.00 58.65 59.11 2uup h GLN 193 Cb 0.82 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.54 2uup h GLN 193 CO 0.04 0.99 -0.03 -0.92 -1.93 0.00 0.00 178.83 176.98 2uup h TYR 194 N 0.00 -0.07 -0.38 3.99 3.20 -1.25 -2.32 116.97 120.15 2uup h TYR 194 Ca -0.03 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.93 2uup h TYR 194 Cb 1.06 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.35 2uup h TYR 194 CO 0.12 -0.07 0.05 -0.09 -1.64 0.00 0.00 178.16 176.53 2uup h ARG 195 N 0.04 0.16 -0.94 1.82 2.43 -0.79 -2.69 114.38 114.40 2uup h ARG 195 Ca 0.12 -0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.43 2uup h ARG 195 Cb 0.17 -0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.59 2uup h ARG 195 CO -0.23 0.11 0.55 0.00 -1.51 0.00 0.00 179.97 178.89 2uup h ALA 196 N 1.30 1.47 0.00 2.80 0.00 -0.81 0.56 119.26 124.57 2uup h ALA 196 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2uup h ALA 196 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2uup h ALA 196 CO -0.26 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.01 2uup n ALA 197 N -2.37 1.00 0.00 0.00 0.00 -0.90 -2.95 120.51 115.29 2uup n ALA 197 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2uup n ALA 197 Cb 0.45 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2uup n ALA 197 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2uup n LEU 199 N 0.51 0.00 0.10 0.00 4.77 0.19 -4.42 117.00 118.14 2uup n LEU 199 Ca 0.00 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.17 2uup n LEU 199 Cb 0.00 0.00 0.75 0.00 -2.33 0.00 0.00 43.42 41.84 2uup n LEU 199 CO 0.00 0.00 1.17 0.03 -1.33 0.00 0.00 177.39 177.26 2uup h ARG 200 N 0.00 0.00 0.00 3.23 3.08 -1.81 -2.46 114.38 116.42 2uup h ARG 200 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2uup h ARG 200 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2uup h ARG 200 CO 0.00 0.00 -0.10 0.97 -1.07 0.00 0.00 179.97 179.77 2uup h ILE 201 N 0.00 0.60 0.00 2.04 2.10 -1.91 -2.18 117.51 118.17 2uup h ILE 201 Ca 0.18 -0.41 0.00 0.00 1.08 0.00 0.00 64.86 65.71 2uup h ILE 201 Cb 0.90 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 37.88 2uup h ILE 201 CO -0.00 0.09 -0.25 -1.22 -1.08 0.00 0.00 178.15 175.69 2uup n TYR 202 N -3.75 0.54 -1.80 2.19 4.01 -0.92 -4.65 117.16 112.79 2uup n TYR 202 Ca -0.02 0.16 -0.42 0.00 -0.16 0.00 0.00 57.90 57.46 2uup n TYR 202 Cb 0.20 -0.70 -0.03 0.00 -0.31 0.00 0.00 39.34 38.50 2uup n TYR 202 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2uup s GLU 203 N -3.09 4.16 -1.15 -0.72 2.02 -0.82 -1.48 118.70 117.62 2uup s GLU 203 Ca 0.10 2.48 0.00 0.00 0.02 0.00 0.00 54.97 57.56 2uup s GLU 203 Cb 0.14 -3.88 0.00 0.00 0.10 0.00 0.00 34.13 30.50 2uup s GLU 203 CO 0.63 -0.86 0.00 0.09 0.02 0.00 0.00 175.26 175.14 2uup n ASN 204 N 6.61 -5.02 -4.77 -0.19 3.02 -1.26 -4.62 115.26 109.03 2uup n ASN 204 Ca 0.18 0.27 -0.39 0.00 -0.03 0.00 0.00 54.58 54.61 2uup n ASN 204 Cb 0.41 -3.48 -0.05 0.00 -0.61 0.00 0.00 39.78 36.05 2uup n ASN 204 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2uup s ALA 205 N -2.16 3.28 0.06 5.41 0.00 -0.55 -3.92 121.76 123.88 2uup s ALA 205 Ca 0.00 0.75 -0.17 0.00 0.00 0.00 0.00 51.96 52.54 2uup s ALA 205 Cb 0.00 -3.27 -0.16 0.00 0.00 0.00 0.00 23.12 19.69 2uup s ALA 205 CO 0.00 -0.07 1.27 0.87 0.00 0.00 0.00 175.76 177.83 2uup h LYS 206 N 3.43 0.56 -4.99 0.00 1.57 -1.03 -3.44 116.57 112.68 2uup h LYS 206 Ca -0.47 -0.41 -0.51 0.00 -1.87 0.00 0.00 60.65 57.38 2uup h LYS 206 Cb 1.21 0.07 -0.31 0.00 0.08 0.00 0.00 32.23 33.28 2uup h LYS 206 CO 0.66 1.03 -0.82 0.08 -0.57 0.00 0.00 179.45 179.83 2uup s VAL 207 N -3.84 1.19 -0.19 0.50 1.01 -1.07 -4.79 120.40 113.22 2uup s VAL 207 Ca -0.13 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 2uup s VAL 207 Cb 0.06 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2uup s VAL 207 CO 0.83 0.35 0.04 0.00 0.00 0.00 0.00 175.10 176.32 2uup s VAL 209 N 0.60 3.82 0.27 0.00 1.01 0.43 0.55 120.40 127.08 2uup s VAL 209 Ca 0.02 -0.72 0.11 0.00 0.00 0.00 0.00 61.98 61.38 2uup s VAL 209 Cb -0.13 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 2uup s VAL 209 CO 0.02 0.10 -0.10 0.68 0.00 0.00 0.00 175.10 175.80 2uup s VAL 210 N 1.48 3.00 -0.41 2.92 -7.23 0.39 -3.64 120.40 116.90 2uup s VAL 210 Ca 0.02 -2.13 -0.19 0.00 -1.81 0.00 0.00 61.98 57.88 2uup s VAL 210 Cb -0.17 -2.59 0.02 0.00 0.56 0.00 0.00 36.38 34.20 2uup s VAL 210 CO 0.02 -0.38 0.52 0.21 -0.31 0.00 0.00 175.10 175.15 2uup s ASN 211 N -3.58 6.26 0.64 4.85 3.84 -1.26 -1.26 114.94 124.43 2uup s ASN 211 Ca 0.31 -0.46 0.43 0.00 0.21 0.00 0.00 52.86 53.35 2uup s ASN 211 Cb -0.06 -2.26 2.24 0.00 -0.55 0.00 0.00 41.25 40.62 2uup s ASN 211 CO 0.18 -0.63 2.30 0.00 -2.79 0.00 0.00 177.10 176.15 2uup h ALA 212 N 8.74 1.00 -0.08 1.71 0.00 -0.66 -1.66 119.26 128.31 2uup h ALA 212 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2uup h ALA 212 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2uup h ALA 212 CO 0.82 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.82 2uup n ASP 213 N -3.07 2.11 -3.55 0.00 8.00 -1.26 -4.74 116.55 114.04 2uup n ASP 213 Ca -0.02 -1.71 -0.29 0.00 0.71 0.00 0.00 54.79 53.47 2uup n ASP 213 Cb 0.11 -0.04 -0.15 0.00 -0.02 0.00 0.00 41.12 41.03 2uup n ASP 213 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2uup s ASP 214 N -1.89 3.53 0.52 -2.24 -1.08 -0.62 -5.02 116.67 109.87 2uup s ASP 214 Ca 0.34 -1.42 0.22 0.00 -0.52 0.00 0.00 52.55 51.18 2uup s ASP 214 Cb 0.20 -0.40 1.34 0.00 -1.46 0.00 0.00 42.92 42.60 2uup s ASP 214 CO 0.31 -0.42 2.03 0.00 0.52 0.00 0.00 175.17 177.61 2uup h ALA 215 N 8.23 2.35 0.00 3.66 0.00 -1.85 -1.78 119.26 129.88 2uup h ALA 215 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2uup h ALA 215 Cb 1.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2uup h ALA 215 CO 0.43 -0.47 0.00 -0.07 0.00 0.00 0.00 179.25 179.13 2uup h LEU 216 N 0.03 0.00 -0.01 0.00 3.38 -1.93 -2.20 115.31 114.59 2uup h LEU 216 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2uup h LEU 216 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2uup h LEU 216 CO -0.01 0.00 -0.03 0.35 0.09 0.00 0.00 178.44 178.85 2uup n THR 217 N -2.75 0.00 -2.93 0.22 -2.24 -0.67 -4.83 114.28 101.09 2uup n THR 217 Ca 0.00 -0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.40 2uup n THR 217 Cb 0.23 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 67.94 2uup n THR 217 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2uup s MET 218 N -2.89 4.57 0.70 -0.78 -1.94 -0.83 -4.73 119.30 113.40 2uup s MET 218 Ca 0.18 1.19 -0.16 0.00 -1.71 0.00 0.00 55.69 55.18 2uup s MET 218 Cb 0.19 -3.14 -0.04 0.00 2.01 0.00 0.00 34.83 33.85 2uup s MET 218 CO 0.52 0.49 0.57 -2.30 -0.01 0.00 0.00 175.02 174.30 2uup n PRO 219 N 1.29 0.36 -0.14 2.03 -0.02 -1.26 -4.85 135.00 132.40 2uup n PRO 219 Ca -0.03 0.16 -0.08 0.00 -2.02 0.00 0.00 63.50 61.52 2uup n PRO 219 Cb 0.49 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 2uup n PRO 219 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2uup h ILE 220 N -0.26 1.15 0.00 4.25 1.08 -1.96 0.12 117.51 121.88 2uup h ILE 220 Ca -0.46 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 2uup h ILE 220 Cb 1.36 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.73 2uup h ILE 220 CO 0.44 0.15 0.00 0.54 -0.69 0.00 0.00 178.15 178.59 2uup n ARG 221 N -4.73 0.03 0.00 2.37 1.74 -1.26 -4.95 116.66 109.86 2uup n ARG 221 Ca 0.01 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2uup n ARG 221 Cb 0.07 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 2uup n ARG 221 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2uup n GLY 222 N -1.04 0.19 3.75 -0.13 0.00 0.03 -4.94 105.19 103.04 2uup n GLY 222 Ca 0.01 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 2uup n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uup n ALA 223 N 0.32 2.00 -3.13 4.61 0.00 -1.26 -4.49 120.51 118.56 2uup n ALA 223 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2uup n ALA 223 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.09 2uup n ALA 223 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2uup n ASP 224 N 0.60 1.50 0.25 0.00 5.68 -1.26 -5.00 116.55 118.32 2uup n ASP 224 Ca 0.03 -0.18 0.08 0.00 -0.50 0.00 0.00 54.79 54.22 2uup n ASP 224 Cb 0.38 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 40.99 2uup n ASP 224 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2uup h GLU 225 N 0.00 0.00 -0.00 0.11 4.81 -2.01 -2.13 114.58 115.35 2uup h GLU 225 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2uup h GLU 225 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2uup h GLU 225 CO 0.00 0.11 -0.27 0.54 -0.73 0.00 0.00 179.01 178.66 2uup n ARG 226 N -4.19 0.37 -3.23 1.92 1.74 -1.26 -4.94 116.66 107.07 2uup n ARG 226 Ca -0.03 -0.17 -0.42 0.00 -0.77 0.00 0.00 57.85 56.46 2uup n ARG 226 Cb 0.19 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.05 2uup n ARG 226 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2uup s VAL 228 N 2.44 5.37 0.16 0.00 1.01 0.19 -4.85 120.40 124.71 2uup s VAL 228 Ca 0.18 0.01 0.11 0.00 0.00 0.00 0.00 61.98 62.28 2uup s VAL 228 Cb -0.15 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2uup s VAL 228 CO 0.15 0.49 -0.24 -0.94 0.00 0.00 0.00 175.10 174.56 2uup s SER 229 N -1.41 3.47 0.16 3.32 1.04 -1.26 -0.46 113.70 118.56 2uup s SER 229 Ca 0.20 -0.77 0.10 0.00 0.48 0.00 0.00 55.95 55.96 2uup s SER 229 Cb -0.12 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 2uup s SER 229 CO 0.10 0.15 -0.21 0.72 0.98 0.00 0.00 173.24 174.98 2uup s PHE 230 N -1.33 2.00 0.11 5.02 -0.71 -0.39 -0.93 117.98 121.74 2uup s PHE 230 Ca 0.18 -0.42 -0.22 0.00 -1.04 0.00 0.00 56.93 55.43 2uup s PHE 230 Cb -0.09 -1.02 0.07 0.00 -1.21 0.00 0.00 43.02 40.78 2uup s PHE 230 CO 0.08 0.36 1.01 0.41 -1.34 0.00 0.00 175.22 175.75 2uup n GLY 231 N 0.47 0.52 0.05 1.99 0.00 0.01 0.10 105.19 108.32 2uup n GLY 231 Ca -0.14 -1.10 -0.00 0.00 0.00 0.00 0.00 46.02 44.78 2uup n GLY 231 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2uup h VAL 232 N 1.90 0.00 -0.01 1.61 2.07 -1.93 -3.17 116.25 116.72 2uup h VAL 232 Ca -0.23 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2uup h VAL 232 Cb 1.08 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2uup h VAL 232 CO 0.32 0.00 -0.46 0.59 0.02 0.00 0.00 177.57 178.03 2uup n ASN 233 N -4.52 1.33 -3.90 0.57 3.02 -1.26 -1.01 115.26 109.49 2uup n ASN 233 Ca -0.00 -1.17 -0.09 0.00 -0.03 0.00 0.00 54.58 53.29 2uup n ASN 233 Cb 0.02 0.64 -0.07 0.00 -0.61 0.00 0.00 39.78 39.76 2uup n ASN 233 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2uup s MET 234 N -2.08 1.03 0.00 3.52 0.23 -1.26 -4.95 119.30 115.79 2uup s MET 234 Ca 0.11 -1.06 0.00 0.00 -1.03 0.00 0.00 55.69 53.70 2uup s MET 234 Cb 0.13 0.37 0.00 0.00 -1.53 0.00 0.00 34.83 33.79 2uup s MET 234 CO 0.48 -0.36 0.00 0.41 -2.03 0.00 0.00 175.02 173.52 2uup n GLY 235 N -0.16 3.34 0.35 3.16 0.00 -1.26 -2.68 105.19 107.93 2uup n GLY 235 Ca -0.11 -1.93 -0.02 0.00 0.00 0.00 0.00 46.02 43.97 2uup n GLY 235 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2uup h ASP 236 N 0.00 0.96 -3.36 1.61 3.32 -1.48 -3.38 116.42 114.09 2uup h ASP 236 Ca 0.00 -0.07 -0.66 0.00 0.02 0.00 0.00 57.03 56.32 2uup h ASP 236 Cb 0.00 -0.24 -0.27 0.00 0.22 0.00 0.00 39.33 39.04 2uup h ASP 236 CO 0.00 0.76 -0.73 -0.31 -1.72 0.00 0.00 179.24 177.24 2uup s TYR 237 N -5.73 2.93 0.34 4.55 1.51 -0.10 0.31 117.35 121.15 2uup s TYR 237 Ca -0.11 -0.83 -0.08 0.00 -1.01 0.00 0.00 57.07 55.03 2uup s TYR 237 Cb 0.17 -2.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.01 2uup s TYR 237 CO 0.80 -0.43 0.57 -3.38 -1.11 0.00 0.00 175.55 172.00 2uup s HIS 238 N 1.11 0.67 -0.01 2.71 -3.43 -0.29 -0.81 115.29 115.24 2uup s HIS 238 Ca 0.01 -1.05 -0.01 0.00 -0.80 0.00 0.00 55.06 53.22 2uup s HIS 238 Cb -0.15 0.23 -0.04 0.00 -1.43 0.00 0.00 32.58 31.20 2uup s HIS 238 CO -0.01 -1.24 0.08 -0.51 -2.00 0.00 0.00 174.74 171.06 2uup s LEU 239 N -3.15 3.88 -0.19 5.38 1.43 -0.18 -0.62 118.68 125.23 2uup s LEU 239 Ca 0.25 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 2uup s LEU 239 Cb -0.02 -2.24 0.04 0.00 0.03 0.00 0.00 46.19 44.01 2uup s LEU 239 CO 0.16 0.28 -0.09 0.21 0.23 0.00 0.00 176.35 177.14 2uup s ASN 240 N -1.67 3.32 0.02 2.29 2.47 -0.47 -4.61 114.94 116.28 2uup s ASN 240 Ca 0.22 -0.87 0.03 0.00 0.42 0.00 0.00 52.86 52.67 2uup s ASN 240 Cb -0.12 -1.17 -0.04 0.00 -1.45 0.00 0.00 41.25 38.48 2uup s ASN 240 CO 0.13 -0.16 -0.05 -2.28 -3.72 0.00 0.00 177.10 171.02 2uup s HIS 241 N 1.44 2.92 0.00 0.43 5.65 -1.26 -0.36 115.29 124.12 2uup s HIS 241 Ca -0.01 -0.02 0.00 0.00 0.25 0.00 0.00 55.06 55.27 2uup s HIS 241 Cb -0.16 -1.60 0.00 0.00 -1.18 0.00 0.00 32.58 29.64 2uup s HIS 241 CO -0.08 0.41 0.00 1.04 -0.65 0.00 0.00 174.74 175.46 2uup n GLN 242 N 1.36 0.00 0.00 2.88 1.13 -0.51 -5.02 117.38 117.22 2uup n GLN 242 Ca -0.15 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.91 2uup n GLN 242 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.87 2uup n GLN 242 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2uup n GLN 243 N 0.00 0.00 -2.24 -1.09 6.02 -1.26 -4.69 117.38 114.12 2uup n GLN 243 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 2uup n GLN 243 Cb 0.00 -0.55 0.02 0.00 1.02 0.00 0.00 30.24 30.73 2uup n GLN 243 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2uup n GLY 244 N 1.07 5.76 3.27 1.08 0.00 -1.26 -5.06 105.19 110.05 2uup n GLY 244 Ca 0.00 -2.53 -0.13 0.00 0.00 0.00 0.00 46.02 43.36 2uup n GLY 244 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2uup s GLU 245 N -3.58 0.76 -0.03 1.61 -1.05 -1.26 -5.13 118.70 110.02 2uup s GLU 245 Ca 0.47 -0.29 0.04 0.00 -0.15 0.00 0.00 54.97 55.05 2uup s GLU 245 Cb 0.40 0.34 -0.00 0.00 -0.44 0.00 0.00 34.13 34.42 2uup s GLU 245 CO -0.03 -0.23 -0.16 0.99 0.95 0.00 0.00 175.26 176.78 2uup s THR 246 N -1.83 1.29 0.05 1.83 2.01 -1.26 -1.42 115.64 116.31 2uup s THR 246 Ca -0.10 -0.65 0.09 0.00 0.31 0.00 0.00 61.69 61.34 2uup s THR 246 Cb -0.03 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 2uup s THR 246 CO 0.02 0.37 -0.24 0.26 -0.69 0.00 0.00 174.62 174.34 2uup s TRP 247 N -0.04 2.40 0.08 4.92 0.52 0.52 -1.53 118.94 125.80 2uup s TRP 247 Ca -0.01 -0.36 -0.29 0.00 0.02 0.00 0.00 56.10 55.46 2uup s TRP 247 Cb -0.10 -1.40 -0.05 0.00 -1.15 0.00 0.00 33.47 30.77 2uup s TRP 247 CO 0.01 0.19 0.93 -0.51 0.02 0.00 0.00 176.95 177.59 2uup s LEU 248 N -1.39 4.46 0.03 2.99 1.43 0.15 -1.37 118.68 124.98 2uup s LEU 248 Ca 0.13 1.70 0.05 0.00 -1.03 0.00 0.00 54.13 54.97 2uup s LEU 248 Cb -0.10 -3.51 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 2uup s LEU 248 CO 0.04 -0.09 -0.13 -0.13 0.23 0.00 0.00 176.35 176.26 2uup s ARG 249 N 0.18 0.91 -0.20 1.70 0.52 0.21 -0.94 118.95 121.32 2uup s ARG 249 Ca 0.46 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 54.96 2uup s ARG 249 Cb -0.22 -0.91 0.04 0.00 0.52 0.00 0.00 34.95 34.38 2uup s ARG 249 CO 0.28 0.22 -0.14 0.08 0.02 0.00 0.00 175.30 175.77 2uup s VAL 250 N -0.82 1.88 -1.37 3.52 1.01 -0.32 -1.13 120.40 123.17 2uup s VAL 250 Ca 0.01 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 2uup s VAL 250 Cb -0.08 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.44 2uup s VAL 250 CO 0.01 0.27 0.42 0.29 0.00 0.00 0.00 175.10 176.08 2uup n LYS 251 N 4.62 -2.17 0.00 2.72 5.02 0.15 -1.41 118.16 127.09 2uup n LYS 251 Ca -0.17 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2uup n LYS 251 Cb 0.47 -4.06 0.00 0.00 -0.02 0.00 0.00 35.03 31.42 2uup n LYS 251 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uup n GLY 252 N -2.08 3.07 3.70 0.72 0.00 -1.26 -5.02 105.19 104.32 2uup n GLY 252 Ca -0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 2uup n GLY 252 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2uup s GLU 253 N -0.32 4.29 0.18 1.61 2.12 -0.50 -5.06 118.70 121.03 2uup s GLU 253 Ca 0.00 0.48 -0.31 0.00 0.36 0.00 0.00 54.97 55.50 2uup s GLU 253 Cb 0.00 -3.49 -0.10 0.00 0.26 0.00 0.00 34.13 30.80 2uup s GLU 253 CO 0.00 0.02 1.56 0.15 -0.54 0.00 0.00 175.26 176.45 2uup s LYS 254 N 1.06 4.21 0.00 4.30 1.02 -1.26 -1.17 119.74 127.90 2uup s LYS 254 Ca 0.26 2.38 0.00 0.00 0.02 0.00 0.00 55.97 58.63 2uup s LYS 254 Cb -0.15 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 2uup s LYS 254 CO 0.11 -0.59 0.00 1.33 -0.92 0.00 0.00 175.35 175.28 2uup n VAL 255 N 3.67 0.00 -3.64 3.17 0.24 -0.12 -4.93 118.33 116.72 2uup n VAL 255 Ca 0.13 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.36 2uup n VAL 255 Cb 0.38 -0.28 -0.07 0.00 -1.47 0.00 0.00 33.84 32.41 2uup n VAL 255 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2uup s LEU 256 N -3.39 -0.93 -0.22 1.34 2.96 -1.12 -4.98 118.68 112.33 2uup s LEU 256 Ca 0.00 1.50 -0.24 0.00 -0.22 0.00 0.00 54.13 55.17 2uup s LEU 256 Cb 0.00 2.35 -0.01 0.00 0.50 0.00 0.00 46.19 49.03 2uup s LEU 256 CO 0.00 -0.24 0.80 0.21 -1.32 0.00 0.00 176.35 175.80 2uup s ASN 257 N 1.72 6.83 0.00 3.68 3.84 -1.26 0.32 114.94 130.06 2uup s ASN 257 Ca -0.10 1.02 0.14 0.00 0.21 0.00 0.00 52.86 54.14 2uup s ASN 257 Cb -0.06 -2.42 0.77 0.00 -0.55 0.00 0.00 41.25 38.99 2uup s ASN 257 CO -0.20 -0.46 1.36 1.33 -2.79 0.00 0.00 177.10 176.35 2uup n VAL 258 N 5.08 0.41 0.31 -5.21 0.24 -0.58 -1.40 118.33 117.17 2uup n VAL 258 Ca 0.04 0.10 0.20 0.00 -2.04 0.00 0.00 64.34 62.64 2uup n VAL 258 Cb 0.48 -0.87 0.93 0.00 -1.47 0.00 0.00 33.84 32.91 2uup n VAL 258 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2uup h LYS 259 N 0.00 0.00 0.00 7.34 2.10 -1.92 -1.48 116.57 122.61 2uup h LYS 259 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2uup h LYS 259 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 2uup h LYS 259 CO 0.00 0.00 -0.15 0.93 -2.00 0.00 0.00 179.45 178.23 2uup h GLU 260 N 0.00 0.00 -7.06 0.07 4.39 -1.65 -3.45 114.58 106.88 2uup h GLU 260 Ca -0.00 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.26 2uup h GLU 260 Cb 0.28 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2uup h GLU 260 CO 0.00 0.00 0.34 -1.64 -1.16 0.00 0.00 179.01 176.55 2uup s MET 261 N -3.12 4.22 0.01 2.33 -1.94 -0.56 -4.36 119.30 115.88 2uup s MET 261 Ca 0.09 1.12 0.05 0.00 -1.71 0.00 0.00 55.69 55.25 2uup s MET 261 Cb 0.12 -2.18 -0.24 0.00 2.01 0.00 0.00 34.83 34.54 2uup s MET 261 CO 0.63 -0.03 0.86 0.87 -0.01 0.00 0.00 175.02 177.34 2uup h LYS 262 N 1.90 0.09 -7.14 2.03 1.79 -1.74 -3.46 116.57 110.04 2uup h LYS 262 Ca -0.49 -0.16 -0.50 0.00 -2.18 0.00 0.00 60.65 57.32 2uup h LYS 262 Cb 1.18 0.06 0.08 0.00 -1.58 0.00 0.00 32.23 31.97 2uup h LYS 262 CO 0.61 0.86 0.40 -0.51 -1.08 0.00 0.00 179.45 179.73 2uup s LEU 263 N -6.58 3.58 0.25 2.94 1.43 -1.26 -5.04 118.68 114.00 2uup s LEU 263 Ca -0.06 2.07 0.01 0.00 -1.03 0.00 0.00 54.13 55.12 2uup s LEU 263 Cb 0.08 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.69 2uup s LEU 263 CO 0.83 -1.38 0.12 -0.94 0.23 0.00 0.00 176.35 175.21 2uup s SER 264 N -2.20 0.98 0.00 2.29 1.04 -1.26 -4.98 113.70 109.57 2uup s SER 264 Ca 0.69 -1.43 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2uup s SER 264 Cb -0.22 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2uup s SER 264 CO 0.34 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2uup n GLY 265 N -0.44 0.05 0.27 7.32 0.00 -1.26 -4.40 105.19 106.74 2uup n GLY 265 Ca 0.01 -1.45 0.05 0.00 0.00 0.00 0.00 46.02 44.63 2uup n GLY 265 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2uup h GLN 266 N 0.00 0.39 -0.31 1.61 4.15 -1.99 -1.41 115.11 117.55 2uup h GLN 266 Ca 0.00 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 2uup h GLN 266 Cb 0.00 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 2uup h GLN 266 CO 0.00 0.26 -0.14 1.12 -1.93 0.00 0.00 178.83 178.13 2uup h HIS 267 N 0.40 0.58 -0.05 3.99 2.07 -1.96 -0.38 115.15 119.79 2uup h HIS 267 Ca 0.42 -0.10 -0.11 0.00 -2.85 0.00 0.00 60.37 57.73 2uup h HIS 267 Cb 0.65 -0.15 -0.01 0.00 2.57 0.00 0.00 27.41 30.47 2uup h HIS 267 CO -0.19 0.66 -0.46 -0.91 -3.07 0.00 0.00 177.93 173.96 2uup h ASN 268 N 0.49 0.14 -0.53 3.10 2.35 -1.52 -0.73 115.58 118.88 2uup h ASN 268 Ca 0.09 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 2uup h ASN 268 Cb 0.53 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 2uup h ASN 268 CO 0.03 0.58 -0.11 1.88 -1.65 0.00 0.00 177.43 178.16 2uup h TYR 269 N 0.11 1.13 -0.06 1.19 0.05 -0.50 -0.72 116.97 118.17 2uup h TYR 269 Ca 0.01 -0.24 -0.13 0.00 0.05 0.00 0.00 58.73 58.42 2uup h TYR 269 Cb 0.86 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 2uup h TYR 269 CO 0.01 1.06 -0.55 1.79 -1.05 0.00 0.00 178.16 179.42 2uup h THR 270 N 0.88 1.37 -0.53 -2.88 1.35 -0.95 -1.61 112.91 110.55 2uup h THR 270 Ca 0.14 -1.86 0.06 0.00 -0.55 0.00 0.00 66.41 64.19 2uup h THR 270 Cb 0.68 1.93 -0.05 0.00 -1.73 0.00 0.00 68.15 68.98 2uup h THR 270 CO 0.05 0.55 0.23 0.78 -0.25 0.00 0.00 175.52 176.88 2uup h ASN 271 N 0.15 0.29 -0.67 5.36 2.35 -1.00 -0.06 115.58 122.00 2uup h ASN 271 Ca -0.00 0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2uup h ASN 271 Cb 1.01 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.35 2uup h ASN 271 CO 0.08 0.20 0.43 0.00 -1.65 0.00 0.00 177.43 176.49 2uup h ALA 272 N 1.32 0.85 -0.16 -0.83 0.00 -0.78 -0.09 119.26 119.57 2uup h ALA 272 Ca 0.25 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2uup h ALA 272 Cb 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2uup h ALA 272 CO -0.21 0.23 0.09 -0.07 0.00 0.00 0.00 179.25 179.29 2uup h LEU 273 N 0.86 0.20 -0.50 0.00 3.38 -0.87 -0.30 115.31 118.08 2uup h LEU 273 Ca 0.25 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2uup h LEU 273 Cb -0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2uup h LEU 273 CO -0.08 0.22 0.33 0.00 0.09 0.00 0.00 178.44 179.01 2uup h ALA 274 N 0.99 0.64 -0.79 1.53 0.00 -0.69 -0.79 119.26 120.15 2uup h ALA 274 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2uup h ALA 274 Cb 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2uup h ALA 274 CO -0.01 0.09 0.45 0.00 0.00 0.00 0.00 179.25 179.78 2uup h ALA 275 N 1.18 1.01 -0.69 0.00 0.00 -0.86 -1.49 119.26 118.41 2uup h ALA 275 Ca 0.18 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2uup h ALA 275 Cb -0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 2uup h ALA 275 CO -0.04 0.50 0.15 1.25 0.00 0.00 0.00 179.25 181.11 2uup h LEU 276 N 1.08 1.07 -0.79 0.00 5.85 -0.62 -0.12 115.31 121.79 2uup h LEU 276 Ca 0.28 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2uup h LEU 276 Cb 0.00 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 2uup h LEU 276 CO -0.05 1.04 0.35 0.00 -0.34 0.00 0.00 178.44 179.44 2uup h ALA 277 N 1.07 1.02 -0.09 1.25 0.00 -0.80 0.69 119.26 122.40 2uup h ALA 277 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2uup h ALA 277 Cb 0.40 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2uup h ALA 277 CO 0.01 0.61 0.00 -0.07 0.00 0.00 0.00 179.25 179.80 2uup h LEU 278 N 1.12 0.16 -0.34 0.00 3.38 -1.05 -1.44 115.31 117.14 2uup h LEU 278 Ca 0.27 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.98 2uup h LEU 278 Cb 0.16 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2uup h LEU 278 CO -0.03 0.43 0.08 0.00 0.09 0.00 0.00 178.44 179.00 2uup h ALA 279 N 0.74 0.37 -0.16 1.53 0.00 -0.86 0.02 119.26 120.89 2uup h ALA 279 Ca 0.03 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2uup h ALA 279 Cb 0.35 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2uup h ALA 279 CO 0.00 -0.33 -0.03 -0.44 0.00 0.00 0.00 179.25 178.46 2uup h ASP 280 N 0.20 -0.12 -0.14 0.00 3.32 -0.84 -1.67 116.42 117.17 2uup h ASP 280 Ca 0.16 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 2uup h ASP 280 Cb 0.18 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2uup h ASP 280 CO -0.21 -0.04 0.07 0.00 -1.72 0.00 0.00 179.24 177.34 2uup h ALA 281 N 1.15 1.78 0.00 3.45 0.00 -0.91 -0.87 119.26 123.86 2uup h ALA 281 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2uup h ALA 281 Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2uup h ALA 281 CO -0.15 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.28 2uup n ALA 282 N -2.50 2.48 -0.83 0.00 0.00 -0.04 -4.87 120.51 114.75 2uup n ALA 282 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2uup n ALA 282 Cb 0.12 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2uup n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uup n GLY 283 N 1.05 0.53 3.77 0.00 0.00 -0.33 -5.05 105.19 105.17 2uup n GLY 283 Ca 0.16 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 2uup n GLY 283 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2uup s LEU 284 N 0.00 4.33 0.20 0.99 1.43 -0.67 -4.98 118.68 119.98 2uup s LEU 284 Ca 0.00 2.05 -0.31 0.00 -1.03 0.00 0.00 54.13 54.84 2uup s LEU 284 Cb 0.00 -3.96 -0.11 0.00 0.03 0.00 0.00 46.19 42.15 2uup s LEU 284 CO 0.00 -0.27 1.59 -2.84 0.23 0.00 0.00 176.35 175.06 2uup s PRO 285 N -2.03 4.19 0.19 1.29 0.02 -1.26 -4.51 135.00 132.89 2uup s PRO 285 Ca 0.52 2.43 -0.11 0.00 0.02 0.00 0.00 61.00 63.85 2uup s PRO 285 Cb -0.24 -3.12 0.22 0.00 0.02 0.00 0.00 34.50 31.38 2uup s PRO 285 CO 0.31 -0.62 1.75 -0.09 -0.33 0.00 0.00 177.00 178.01 2uup h ARG 286 N 6.42 0.38 -0.16 5.54 9.65 -1.96 -2.08 114.38 132.17 2uup h ARG 286 Ca -0.43 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.44 2uup h ARG 286 Cb 1.21 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.68 2uup h ARG 286 CO 0.90 0.25 0.06 0.00 2.80 0.00 0.00 179.97 183.97 2uup h ALA 287 N 1.37 0.18 -0.03 2.80 0.00 -2.00 -0.73 119.26 120.85 2uup h ALA 287 Ca 0.27 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 2uup h ALA 287 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2uup h ALA 287 CO -0.27 -0.38 -0.40 0.66 0.00 0.00 0.00 179.25 178.86 2uup h SER 288 N 0.14 0.06 -0.35 0.00 4.64 -1.87 -2.10 113.55 114.07 2uup h SER 288 Ca 0.07 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 2uup h SER 288 Cb 0.04 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2uup h SER 288 CO -0.07 0.46 0.10 0.28 -0.87 0.00 0.00 176.83 176.73 2uup h SER 289 N 0.05 0.52 -0.65 4.97 0.02 -0.74 -2.05 113.55 115.67 2uup h SER 289 Ca 0.00 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.70 2uup h SER 289 Cb 0.74 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 2uup h SER 289 CO 0.05 0.60 0.27 -0.07 -1.14 0.00 0.00 176.83 176.55 2uup h LEU 290 N 0.41 0.91 -0.70 5.07 3.38 -0.99 -2.73 115.31 120.66 2uup h LEU 290 Ca 0.11 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2uup h LEU 290 Cb 0.28 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2uup h LEU 290 CO -0.00 0.81 0.44 0.11 0.09 0.00 0.00 178.44 179.90 2uup h LYS 291 N 0.98 0.85 -1.01 1.13 1.57 -1.17 -2.43 116.57 116.49 2uup h LYS 291 Ca 0.23 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 2uup h LYS 291 Cb 0.19 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 2uup h LYS 291 CO -0.02 0.56 0.65 0.00 -0.57 0.00 0.00 179.45 180.07 2uup h ALA 292 N 1.30 1.40 -0.03 3.86 0.00 -1.08 -1.74 119.26 122.96 2uup h ALA 292 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2uup h ALA 292 Cb 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2uup h ALA 292 CO -0.10 0.46 0.02 -0.07 0.00 0.00 0.00 179.25 179.55 2uup h LEU 293 N 1.19 0.03 0.00 0.00 3.38 -1.19 -1.70 115.31 117.02 2uup h LEU 293 Ca 0.43 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.40 2uup h LEU 293 Cb 0.15 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2uup h LEU 293 CO -0.17 0.02 -0.51 0.71 0.09 0.00 0.00 178.44 178.58 2uup h THR 294 N 0.04 0.02 0.00 0.22 1.35 -1.22 -3.38 112.91 109.94 2uup h THR 294 Ca 0.01 -1.03 -0.16 0.00 -0.55 0.00 0.00 66.41 64.68 2uup h THR 294 Cb 0.00 1.76 -0.03 0.00 -1.73 0.00 0.00 68.15 68.16 2uup h THR 294 CO -0.00 0.01 -2.01 0.35 -0.25 0.00 0.00 175.52 173.62 2uup n THR 295 N -2.90 0.72 -2.01 6.82 -2.24 -0.90 -4.27 114.28 109.51 2uup n THR 295 Ca 0.02 -0.66 -0.42 0.00 -2.27 0.00 0.00 64.05 60.71 2uup n THR 295 Cb 0.55 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 2uup n THR 295 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2uup s PHE 296 N -3.04 2.43 -0.88 4.78 5.36 -0.69 -4.91 117.98 121.04 2uup s PHE 296 Ca -0.08 0.41 0.23 0.00 -0.96 0.00 0.00 56.93 56.53 2uup s PHE 296 Cb 0.10 -3.89 0.07 0.00 -0.34 0.00 0.00 43.02 38.97 2uup s PHE 296 CO 0.86 -3.54 1.09 0.25 -1.46 0.00 0.00 175.22 172.42 2uup n THR 297 N 4.85 0.04 0.00 0.12 -2.24 -1.26 -4.22 114.28 111.58 2uup n THR 297 Ca 0.15 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2uup n THR 297 Cb 0.42 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 2uup n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uup n GLY 298 N 1.46 2.28 3.94 3.38 0.00 -1.26 -4.80 105.19 110.19 2uup n GLY 298 Ca 0.04 -2.05 -0.27 0.00 0.00 0.00 0.00 46.02 43.74 2uup n GLY 298 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2uup s LEU 299 N 0.00 4.31 0.68 0.99 1.43 -1.26 -5.09 118.68 119.74 2uup s LEU 299 Ca 0.00 0.26 -0.17 0.00 -1.03 0.00 0.00 54.13 53.19 2uup s LEU 299 Cb 0.00 -3.00 0.01 0.00 0.03 0.00 0.00 46.19 43.23 2uup s LEU 299 CO 0.00 0.04 1.27 -2.16 0.23 0.00 0.00 176.35 175.73 2uup s PRO 300 N -3.14 2.37 0.00 1.29 0.04 -1.26 -2.97 135.00 131.33 2uup s PRO 300 Ca 0.36 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2uup s PRO 300 Cb -0.11 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2uup s PRO 300 CO 0.28 -1.71 0.00 0.72 0.04 0.00 0.00 177.00 176.33 2uup n HIS 301 N -2.21 0.00 -3.79 0.56 8.25 -1.26 -4.92 115.22 111.85 2uup n HIS 301 Ca 0.15 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.26 2uup n HIS 301 Cb 0.49 -0.73 -0.11 0.00 1.12 0.00 0.00 29.99 30.75 2uup n HIS 301 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2uup s ARG 302 N -0.58 2.13 -1.32 -0.41 6.06 -1.16 -1.42 118.95 122.25 2uup s ARG 302 Ca 0.00 -2.11 -0.04 0.00 -2.50 0.00 0.00 55.73 51.08 2uup s ARG 302 Cb 0.00 -3.58 0.01 0.00 0.06 0.00 0.00 34.95 31.44 2uup s ARG 302 CO 0.00 -1.10 0.08 0.34 -2.50 0.00 0.00 175.30 172.12 2uup n PHE 303 N 4.10 -1.12 -3.35 5.12 7.35 -1.20 -4.74 117.46 123.63 2uup n PHE 303 Ca 0.02 0.47 -0.39 0.00 -0.76 0.00 0.00 57.45 56.79 2uup n PHE 303 Cb 0.40 -2.45 -0.08 0.00 0.35 0.00 0.00 39.48 37.70 2uup n PHE 303 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2uup s GLU 304 N -6.90 4.15 -0.43 -4.13 2.12 -0.26 -4.85 118.70 108.40 2uup s GLU 304 Ca 0.06 0.23 -0.29 0.00 0.36 0.00 0.00 54.97 55.33 2uup s GLU 304 Cb -0.03 -3.56 0.01 0.00 0.26 0.00 0.00 34.13 30.81 2uup s GLU 304 CO 0.87 -0.10 1.38 0.08 -0.54 0.00 0.00 175.26 176.95 2uup s VAL 305 N 1.51 3.93 -0.13 3.70 1.01 -1.26 0.01 120.40 129.18 2uup s VAL 305 Ca 0.20 0.94 0.19 0.00 0.00 0.00 0.00 61.98 63.31 2uup s VAL 305 Cb -0.15 -4.26 -0.20 0.00 0.00 0.00 0.00 36.38 31.77 2uup s VAL 305 CO 0.08 -0.80 0.57 1.33 0.00 0.00 0.00 175.10 176.28 2uup n VAL 306 N 7.06 0.89 -3.70 2.92 0.24 -0.27 -4.89 118.33 120.58 2uup n VAL 306 Ca 0.16 -0.67 -0.11 0.00 -2.04 0.00 0.00 64.34 61.68 2uup n VAL 306 Cb 0.48 -0.45 -0.12 0.00 -1.47 0.00 0.00 33.84 32.28 2uup n VAL 306 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2uup s LEU 307 N -5.35 -0.03 -0.30 1.34 2.96 -1.16 -4.98 118.68 111.17 2uup s LEU 307 Ca -0.06 0.75 0.02 0.00 -0.22 0.00 0.00 54.13 54.62 2uup s LEU 307 Cb 0.09 1.07 0.08 0.00 0.50 0.00 0.00 46.19 47.94 2uup s LEU 307 CO 0.84 -0.20 0.00 -0.70 -1.32 0.00 0.00 176.35 174.98 2uup s GLU 308 N 1.64 1.54 -0.16 1.98 2.12 -1.26 0.06 118.70 124.62 2uup s GLU 308 Ca -0.07 -1.45 -0.19 0.00 0.36 0.00 0.00 54.97 53.62 2uup s GLU 308 Cb -0.10 -2.82 0.05 0.00 0.26 0.00 0.00 34.13 31.52 2uup s GLU 308 CO -0.11 -0.80 0.51 -1.58 -0.54 0.00 0.00 175.26 172.74 2uup s HIS 309 N 1.16 -0.53 -1.45 5.30 2.46 -0.82 -4.92 115.29 116.49 2uup s HIS 309 Ca 0.03 1.22 -0.02 0.00 0.47 0.00 0.00 55.06 56.76 2uup s HIS 309 Cb -0.19 0.20 0.01 0.00 -0.13 0.00 0.00 32.58 32.47 2uup s HIS 309 CO -0.10 -0.32 0.17 0.09 -2.47 0.00 0.00 174.74 172.11 2uup n ASN 310 N 2.43 -5.08 0.00 9.88 3.02 -1.26 -1.68 115.26 122.56 2uup n ASN 310 Ca -0.15 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 2uup n ASN 310 Cb 0.56 -4.22 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 2uup n ASN 310 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2uup n GLY 311 N -1.06 0.51 3.41 7.41 0.00 -1.26 -4.37 105.19 109.83 2uup n GLY 311 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 2uup n GLY 311 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uup s VAL 312 N -2.10 3.11 -0.22 1.61 1.01 -0.68 -0.78 120.40 122.34 2uup s VAL 312 Ca 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 2uup s VAL 312 Cb 0.00 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 2uup s VAL 312 CO 0.00 0.54 0.13 -0.13 0.00 0.00 0.00 175.10 175.65 2uup s ARG 313 N 0.00 4.08 -0.29 2.72 0.52 -1.10 -1.95 118.95 122.93 2uup s ARG 313 Ca -0.04 -0.27 -0.07 0.00 -0.52 0.00 0.00 55.73 54.83 2uup s ARG 313 Cb -0.14 -3.44 0.00 0.00 0.52 0.00 0.00 34.95 31.89 2uup s ARG 313 CO 0.04 0.16 0.09 -1.58 0.02 0.00 0.00 175.30 174.03 2uup s TRP 314 N 0.74 3.14 -0.18 -0.53 0.52 0.11 -1.06 118.94 121.68 2uup s TRP 314 Ca 0.07 -0.84 -0.01 0.00 0.02 0.00 0.00 56.10 55.33 2uup s TRP 314 Cb -0.13 -2.27 -0.00 0.00 -1.15 0.00 0.00 33.47 29.92 2uup s TRP 314 CO 0.02 -0.53 -0.12 0.42 0.02 0.00 0.00 176.95 176.76 2uup s ILE 315 N 1.53 2.88 -0.69 2.03 1.01 0.53 -1.11 121.20 127.38 2uup s ILE 315 Ca 0.03 -0.68 -0.19 0.00 0.00 0.00 0.00 60.65 59.81 2uup s ILE 315 Cb -0.17 -2.25 0.11 0.00 0.01 0.00 0.00 42.46 40.16 2uup s ILE 315 CO 0.03 0.49 0.84 0.21 0.00 0.00 0.00 174.94 176.51 2uup s ASN 316 N 1.06 6.31 -0.52 3.58 2.47 0.10 -1.07 114.94 126.86 2uup s ASN 316 Ca -0.00 -1.55 0.03 0.00 0.42 0.00 0.00 52.86 51.75 2uup s ASN 316 Cb -0.15 -2.34 0.43 0.00 -1.45 0.00 0.00 41.25 37.75 2uup s ASN 316 CO -0.03 -1.14 1.55 -0.67 -3.72 0.00 0.00 177.10 173.09 2uup n ASP 317 N 6.48 6.08 0.31 -4.21 2.03 0.61 -1.11 116.55 126.75 2uup n ASP 317 Ca -0.01 -3.77 0.19 0.00 0.52 0.00 0.00 54.79 51.73 2uup n ASP 317 Cb 0.45 -0.66 1.03 0.00 -0.72 0.00 0.00 41.12 41.22 2uup n ASP 317 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2uup h SER 318 N 2.35 0.00 0.52 1.67 0.87 -1.48 -0.08 113.55 117.40 2uup h SER 318 Ca 0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 2uup h SER 318 Cb 0.95 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2uup h SER 318 CO 1.12 0.00 0.00 1.17 -0.53 0.00 0.00 176.83 178.59 2uup n LYS 319 N -3.38 0.07 -2.13 2.24 3.00 -0.51 -4.35 118.16 113.11 2uup n LYS 319 Ca -0.02 0.35 -0.29 0.00 -0.00 0.00 0.00 58.31 58.34 2uup n LYS 319 Cb 0.15 -1.65 -0.05 0.00 0.00 0.00 0.00 35.03 33.49 2uup n LYS 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2uup s ALA 320 N -3.13 1.86 -1.45 3.14 0.00 -0.04 -4.72 121.76 117.41 2uup s ALA 320 Ca 0.05 -1.73 0.16 0.00 0.00 0.00 0.00 51.96 50.44 2uup s ALA 320 Cb 0.09 -4.57 0.43 0.00 0.00 0.00 0.00 23.12 19.06 2uup s ALA 320 CO 0.29 -4.69 1.35 0.25 0.00 0.00 0.00 175.76 172.96 2uup n THR 321 N 7.70 0.91 -4.04 0.00 -2.24 -1.26 -1.38 114.28 113.97 2uup n THR 321 Ca 0.40 -0.96 -0.10 0.00 -2.27 0.00 0.00 64.05 61.12 2uup n THR 321 Cb 0.47 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 2uup n THR 321 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2uup s ASN 322 N -1.03 0.10 0.16 3.42 2.20 -1.23 -3.44 114.94 115.13 2uup s ASN 322 Ca 0.33 -1.10 -0.09 0.00 -0.94 0.00 0.00 52.86 51.07 2uup s ASN 322 Cb 0.18 0.57 0.02 0.00 -2.00 0.00 0.00 41.25 40.01 2uup s ASN 322 CO 0.23 -1.13 1.53 0.58 -2.94 0.00 0.00 177.10 175.37 2uup h VAL 323 N 2.29 1.27 -0.76 3.54 2.07 -1.79 -2.79 116.25 120.07 2uup h VAL 323 Ca -0.28 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 65.77 2uup h VAL 323 Cb 1.25 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 2uup h VAL 323 CO 0.39 0.50 0.48 1.23 0.02 0.00 0.00 177.57 180.18 2uup h GLY 324 N 0.85 1.09 0.91 2.17 0.00 -1.94 -0.26 103.07 105.89 2uup h GLY 324 Ca 0.08 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 2uup h GLY 324 CO 0.08 0.42 -0.18 0.23 0.00 0.00 0.00 176.54 177.09 2uup h SER 325 N 1.04 0.64 -0.27 0.19 0.87 -1.87 -1.87 113.55 112.28 2uup h SER 325 Ca 0.28 -0.43 -0.06 0.00 -1.23 0.00 0.00 61.79 60.35 2uup h SER 325 Cb -0.07 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 2uup h SER 325 CO -0.06 0.94 -0.00 0.74 -0.53 0.00 0.00 176.83 177.92 2uup h THR 326 N 0.35 1.21 -0.44 2.23 2.02 -1.22 -2.31 112.91 114.75 2uup h THR 326 Ca 0.06 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 66.40 2uup h THR 326 Cb 0.72 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 2uup h THR 326 CO 0.05 0.29 0.28 -0.33 0.37 0.00 0.00 175.52 176.19 2uup h GLU 327 N 0.57 0.56 -0.48 6.66 5.08 -0.89 -1.20 114.58 124.87 2uup h GLU 327 Ca 0.12 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2uup h GLU 327 Cb 0.36 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2uup h GLU 327 CO 0.01 0.37 0.32 0.00 -1.00 0.00 0.00 179.01 178.71 2uup h ALA 328 N 1.17 1.85 -0.19 3.43 0.00 -0.90 0.26 119.26 124.88 2uup h ALA 328 Ca 0.17 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 2uup h ALA 328 Cb -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2uup h ALA 328 CO -0.05 0.08 -0.68 0.00 0.00 0.00 0.00 179.25 178.60 2uup h ALA 329 N 1.73 0.43 0.00 0.00 0.00 -0.89 -3.35 119.26 117.18 2uup h ALA 329 Ca 0.20 -0.57 -0.21 0.00 0.00 0.00 0.00 54.91 54.33 2uup h ALA 329 Cb 0.20 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2uup h ALA 329 CO -0.05 0.69 -1.30 -0.07 0.00 0.00 0.00 179.25 178.52 2uup h LEU 330 N 0.54 0.00 -8.96 0.00 3.38 -0.63 -3.40 115.31 106.24 2uup h LEU 330 Ca -0.02 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.38 2uup h LEU 330 Cb 1.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 2uup h LEU 330 CO 0.14 0.81 1.11 0.21 0.09 0.00 0.00 178.44 180.81 2uup s ASN 331 N -6.19 6.35 -0.03 -0.43 2.47 0.85 -2.03 114.94 115.93 2uup s ASN 331 Ca -0.02 1.39 0.00 0.00 0.42 0.00 0.00 52.86 54.65 2uup s ASN 331 Cb 0.09 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 2uup s ASN 331 CO 0.81 -1.32 0.00 0.61 -3.72 0.00 0.00 177.10 173.48 2uup n GLY 332 N 4.77 0.44 3.69 1.21 0.00 -1.26 -4.96 105.19 109.08 2uup n GLY 332 Ca 0.18 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 2uup n GLY 332 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2uup s LEU 333 N -0.06 4.30 -0.22 0.99 2.96 -0.86 -5.02 118.68 120.77 2uup s LEU 333 Ca 0.00 2.00 -0.14 0.00 -0.22 0.00 0.00 54.13 55.77 2uup s LEU 333 Cb 0.00 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 2uup s LEU 333 CO 0.00 -0.66 0.30 -2.28 -1.32 0.00 0.00 176.35 172.39 2uup s HIS 334 N 2.31 3.34 -0.06 5.38 5.65 -1.26 -5.07 115.29 125.57 2uup s HIS 334 Ca 0.61 0.45 0.01 0.00 0.25 0.00 0.00 55.06 56.38 2uup s HIS 334 Cb -0.29 -2.43 0.02 0.00 -1.18 0.00 0.00 32.58 28.70 2uup s HIS 334 CO 0.25 0.00 -0.08 0.08 -0.65 0.00 0.00 174.74 174.34 2uup s VAL 335 N 1.28 0.82 0.00 0.89 1.01 -1.26 -5.06 120.40 118.08 2uup s VAL 335 Ca 0.14 -0.26 -0.24 0.00 0.00 0.00 0.00 61.98 61.62 2uup s VAL 335 Cb -0.14 -0.80 -0.18 0.00 0.00 0.00 0.00 36.38 35.25 2uup s VAL 335 CO 0.07 0.30 1.31 0.44 0.00 0.00 0.00 175.10 177.22 2uup h ASP 336 N 7.31 0.11 0.00 3.32 3.32 -1.93 -3.46 116.42 125.09 2uup h ASP 336 Ca -0.33 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.26 2uup h ASP 336 Cb 1.16 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2uup h ASP 336 CO 0.45 0.55 0.00 0.61 -1.72 0.00 0.00 179.24 179.13 2uup n GLY 337 N 0.15 0.48 3.72 2.75 0.00 0.27 -4.98 105.19 107.58 2uup n GLY 337 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 2uup n GLY 337 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uup s THR 338 N 2.70 4.81 -0.28 2.61 2.01 -1.26 -4.84 115.64 121.39 2uup s THR 338 Ca 0.00 -0.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.76 2uup s THR 338 Cb 0.00 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.40 2uup s THR 338 CO 0.00 0.56 0.56 -0.22 -0.69 0.00 0.00 174.62 174.83 2uup s LEU 339 N -0.53 4.10 -0.48 4.42 2.96 0.95 -1.48 118.68 128.62 2uup s LEU 339 Ca 0.10 0.47 -0.15 0.00 -0.22 0.00 0.00 54.13 54.34 2uup s LEU 339 Cb -0.12 -2.72 0.09 0.00 0.50 0.00 0.00 46.19 43.94 2uup s LEU 339 CO 0.02 -0.37 0.40 -1.00 -1.32 0.00 0.00 176.35 174.09 2uup s HIS 340 N 2.42 3.26 -0.24 5.38 3.76 -0.07 -0.29 115.29 129.51 2uup s HIS 340 Ca 0.23 -1.12 -0.07 0.00 -0.15 0.00 0.00 55.06 53.94 2uup s HIS 340 Cb -0.15 -3.32 -0.03 0.00 1.11 0.00 0.00 32.58 30.19 2uup s HIS 340 CO 0.10 -0.87 0.07 -1.17 -0.85 0.00 0.00 174.74 172.02 2uup s LEU 341 N 1.60 3.48 -0.26 0.89 2.96 0.65 -1.17 118.68 126.82 2uup s LEU 341 Ca 0.04 -0.17 -0.16 0.00 -0.22 0.00 0.00 54.13 53.62 2uup s LEU 341 Cb -0.26 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 2uup s LEU 341 CO 0.05 -0.01 0.42 -0.76 -1.32 0.00 0.00 176.35 174.73 2uup s LEU 342 N 1.44 4.05 -0.00 -0.68 1.43 -0.14 -0.83 118.68 123.95 2uup s LEU 342 Ca 0.06 0.37 0.05 0.00 -1.03 0.00 0.00 54.13 53.57 2uup s LEU 342 Cb -0.15 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 2uup s LEU 342 CO 0.04 -0.21 -0.14 -0.76 0.23 0.00 0.00 176.35 175.50 2uup s LEU 343 N 2.11 2.05 0.00 1.79 1.43 -0.64 -2.79 118.68 122.64 2uup s LEU 343 Ca 0.17 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 2uup s LEU 343 Cb -0.16 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.34 2uup s LEU 343 CO 0.10 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.44 2uup n GLY 344 N 2.57 1.95 0.00 -3.19 0.00 -0.89 -1.14 105.19 104.49 2uup n GLY 344 Ca -0.15 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2uup n GLY 344 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uup n GLY 345 N -1.55 0.33 3.47 -0.02 0.00 -0.85 -4.43 105.19 102.13 2uup n GLY 345 Ca 0.00 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 2uup n GLY 345 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2uup s ASP 346 N -4.00 6.24 0.00 1.61 2.15 -0.16 -1.24 116.67 121.27 2uup s ASP 346 Ca 0.00 -0.81 0.26 0.00 0.43 0.00 0.00 52.55 52.43 2uup s ASP 346 Cb 0.00 -2.38 1.58 0.00 -0.30 0.00 0.00 42.92 41.82 2uup s ASP 346 CO 0.00 -1.22 1.93 0.61 -0.17 0.00 0.00 175.17 176.33 2uup n GLY 347 N 5.22 -0.84 2.55 2.66 0.00 -1.26 -0.64 105.19 112.88 2uup n GLY 347 Ca -0.03 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 2uup n GLY 347 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2uup n LYS 348 N -0.99 -2.39 -1.23 1.61 5.02 -1.26 -1.19 118.16 117.73 2uup n LYS 348 Ca 0.20 0.80 -0.08 0.00 -2.02 0.00 0.00 58.31 57.21 2uup n LYS 348 Cb 0.09 -5.47 -0.03 0.00 -0.02 0.00 0.00 35.03 29.60 2uup n LYS 348 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2uup n SER 349 N -2.01 -4.60 -4.75 4.39 7.64 -1.26 -2.62 113.62 110.41 2uup n SER 349 Ca -0.18 0.19 -0.36 0.00 1.01 0.00 0.00 58.87 59.54 2uup n SER 349 Cb 0.64 -2.79 0.04 0.00 -1.01 0.00 0.00 64.21 61.09 2uup n SER 349 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2uup s ALA 350 N -2.08 2.50 -0.48 -0.43 0.00 -0.33 -4.94 121.76 116.00 2uup s ALA 350 Ca 0.00 0.96 -0.27 0.00 0.00 0.00 0.00 51.96 52.65 2uup s ALA 350 Cb 0.00 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.71 2uup s ALA 350 CO 0.00 -1.23 1.01 0.34 0.00 0.00 0.00 175.76 175.87 2uup s ASP 351 N -1.72 6.53 0.00 0.00 2.15 -1.26 -4.91 116.67 117.46 2uup s ASP 351 Ca 0.76 0.19 0.27 0.00 0.43 0.00 0.00 52.55 54.20 2uup s ASP 351 Cb -0.29 -2.49 1.20 0.00 -0.30 0.00 0.00 42.92 41.04 2uup s ASP 351 CO 0.35 -1.15 1.88 0.49 -0.17 0.00 0.00 175.17 176.56 2uup n PHE 352 N 7.47 0.00 -0.29 -5.34 3.72 -1.26 -4.27 117.46 117.49 2uup n PHE 352 Ca 0.08 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.66 2uup n PHE 352 Cb 0.49 -0.45 0.46 0.00 -0.94 0.00 0.00 39.48 39.04 2uup n PHE 352 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2uup h SER 353 N 0.00 0.52 0.00 4.37 0.02 -1.97 -1.25 113.55 115.24 2uup h SER 353 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2uup h SER 353 Cb 0.41 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2uup h SER 353 CO 0.00 0.19 0.04 -2.65 -1.14 0.00 0.00 176.83 173.27 2uup n PRO 354 N -4.59 0.13 0.17 3.45 -0.02 -1.26 -1.26 135.00 131.61 2uup n PRO 354 Ca 0.21 0.63 0.06 0.00 -2.02 0.00 0.00 63.50 62.38 2uup n PRO 354 Cb 0.69 -1.97 0.09 0.00 -0.02 0.00 0.00 33.50 32.29 2uup n PRO 354 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2uup h LEU 355 N 0.00 0.00 -1.60 2.45 3.38 -1.56 -3.36 115.31 114.62 2uup h LEU 355 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 2uup h LEU 355 Cb 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2uup h LEU 355 CO 0.00 0.32 0.42 0.00 0.09 0.00 0.00 178.44 179.28 2uup h ALA 356 N 1.68 1.99 0.00 1.53 0.00 -1.34 -1.45 119.26 121.67 2uup h ALA 356 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2uup h ALA 356 Cb 1.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2uup h ALA 356 CO 0.04 -0.13 0.00 2.89 0.00 0.00 0.00 179.25 182.05 2uup n ARG 357 N -4.47 0.13 0.00 0.00 1.85 -1.26 -1.99 116.66 110.93 2uup n ARG 357 Ca 0.11 0.40 0.12 0.00 -1.00 0.00 0.00 57.85 57.47 2uup n ARG 357 Cb 0.38 -1.77 0.16 0.00 -1.05 0.00 0.00 32.46 30.17 2uup n ARG 357 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2uup n TYR 358 N -2.03 0.00 -0.99 2.89 4.01 -0.55 -4.48 117.16 116.02 2uup n TYR 358 Ca 0.02 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.85 2uup n TYR 358 Cb 0.19 -0.05 0.24 0.00 -0.31 0.00 0.00 39.34 39.40 2uup n TYR 358 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2uup n LEU 359 N -0.35 3.60 -4.89 7.72 4.77 -0.84 -5.01 117.00 122.00 2uup n LEU 359 Ca 0.10 -3.01 -0.29 0.00 -0.03 0.00 0.00 56.01 52.78 2uup n LEU 359 Cb 0.41 -0.52 0.07 0.00 -2.33 0.00 0.00 43.42 41.06 2uup n LEU 359 CO 0.28 0.68 0.77 0.20 -1.33 0.00 0.00 177.39 177.99 2uup s ASN 360 N -2.07 4.89 0.00 -1.43 0.01 -1.26 -4.91 114.94 110.17 2uup s ASN 360 Ca 0.40 0.95 0.00 0.00 -0.71 0.00 0.00 52.86 53.50 2uup s ASN 360 Cb 0.33 -1.59 0.00 0.00 0.41 0.00 0.00 41.25 40.40 2uup s ASN 360 CO 0.08 -1.68 0.00 0.61 -1.51 0.00 0.00 177.10 174.60 2uup n GLY 361 N -3.12 -0.05 0.61 0.66 0.00 -1.26 -4.72 105.19 97.31 2uup n GLY 361 Ca 0.07 -1.87 0.13 0.00 0.00 0.00 0.00 46.02 44.35 2uup n GLY 361 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2uup n ASP 362 N -0.61 2.02 -1.00 1.61 9.92 -1.26 -4.29 116.55 122.95 2uup n ASP 362 Ca 0.00 -1.58 0.00 0.00 -0.53 0.00 0.00 54.79 52.68 2uup n ASP 362 Cb 0.00 0.10 0.21 0.00 -0.64 0.00 0.00 41.12 40.79 2uup n ASP 362 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2uup n ASN 363 N 0.41 2.74 -4.22 -2.24 3.02 -1.26 -4.96 115.26 108.76 2uup n ASN 363 Ca 0.15 -3.57 -0.30 0.00 -0.03 0.00 0.00 54.58 50.82 2uup n ASN 363 Cb 0.46 -0.60 -0.17 0.00 -0.61 0.00 0.00 39.78 38.86 2uup n ASN 363 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2uup s VAL 364 N -3.13 1.90 -0.05 2.41 1.01 -1.26 -0.03 120.40 121.25 2uup s VAL 364 Ca 0.43 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.48 2uup s VAL 364 Cb 0.38 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 35.14 2uup s VAL 364 CO 0.02 0.53 -0.13 -0.13 0.00 0.00 0.00 175.10 175.39 2uup s ARG 365 N 0.07 1.50 -0.11 2.72 1.81 0.60 -4.89 118.95 120.65 2uup s ARG 365 Ca -0.09 -0.44 -0.02 0.00 -1.72 0.00 0.00 55.73 53.46 2uup s ARG 365 Cb -0.15 -1.30 -0.03 0.00 -0.45 0.00 0.00 34.95 33.02 2uup s ARG 365 CO 0.05 0.12 -0.03 -0.51 -0.68 0.00 0.00 175.30 174.25 2uup s LEU 366 N 0.33 3.35 -0.24 2.53 1.43 -0.19 -0.25 118.68 125.64 2uup s LEU 366 Ca -0.08 0.00 -0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2uup s LEU 366 Cb -0.12 -1.77 0.07 0.00 0.03 0.00 0.00 46.19 44.39 2uup s LEU 366 CO 0.02 0.30 -0.00 -0.31 0.23 0.00 0.00 176.35 176.58 2uup s TYR 367 N -0.40 2.05 -0.10 0.29 1.51 -0.01 -0.75 117.35 119.94 2uup s TYR 367 Ca 0.07 -1.61 0.02 0.00 -1.01 0.00 0.00 57.07 54.53 2uup s TYR 367 Cb -0.12 -1.55 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 2uup s TYR 367 CO 0.02 -0.76 -0.14 0.00 -1.11 0.00 0.00 175.55 173.56 2uup s PHE 369 N -0.08 1.24 0.00 0.00 -0.71 -0.29 -0.65 117.98 117.49 2uup s PHE 369 Ca -0.02 -1.39 0.00 0.00 -1.04 0.00 0.00 56.93 54.47 2uup s PHE 369 Cb -0.14 -0.22 0.00 0.00 -1.21 0.00 0.00 43.02 41.45 2uup s PHE 369 CO 0.04 -1.10 0.00 0.41 -1.34 0.00 0.00 175.22 173.23 2uup n GLY 370 N -0.59 -1.51 0.19 1.99 0.00 -0.51 -2.02 105.19 102.75 2uup n GLY 370 Ca 0.02 -1.28 -0.03 0.00 0.00 0.00 0.00 46.02 44.73 2uup n GLY 370 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2uup h ARG 371 N 0.00 0.14 -0.58 1.61 2.43 -1.85 -2.35 114.38 113.78 2uup h ARG 371 Ca 0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2uup h ARG 371 Cb 0.00 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2uup h ARG 371 CO 0.00 0.10 0.05 -0.25 -1.51 0.00 0.00 179.97 178.35 2uup n ASP 372 N -5.19 5.46 -0.34 -3.80 8.00 -0.37 -4.63 116.55 115.68 2uup n ASP 372 Ca 0.05 -3.00 0.16 0.00 0.71 0.00 0.00 54.79 52.71 2uup n ASP 372 Cb 0.25 -0.69 0.36 0.00 -0.02 0.00 0.00 41.12 41.02 2uup n ASP 372 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2uup h GLY 373 N 3.60 1.82 1.09 0.44 0.00 -1.17 -2.29 103.07 106.57 2uup h GLY 373 Ca 0.05 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 46.95 2uup h GLY 373 CO 0.52 -0.22 -0.29 0.00 0.00 0.00 0.00 176.54 176.56 2uup h ALA 374 N 1.71 0.59 -0.19 3.60 0.00 -1.84 -1.39 119.26 121.73 2uup h ALA 374 Ca 0.62 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2uup h ALA 374 Cb 1.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2uup h ALA 374 CO -0.47 0.62 -0.06 0.37 0.00 0.00 0.00 179.25 179.72 2uup h GLN 375 N 0.75 0.29 -0.03 0.00 4.15 -1.79 -2.03 115.11 116.45 2uup h GLN 375 Ca 0.08 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.31 2uup h GLN 375 Cb 0.87 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.52 2uup h GLN 375 CO 0.08 0.37 -0.49 -0.07 -1.93 0.00 0.00 178.83 176.79 2uup h LEU 376 N 0.28 0.48 -1.36 -2.39 3.38 -1.20 -3.20 115.31 111.31 2uup h LEU 376 Ca 0.06 -0.72 0.17 0.00 0.09 0.00 0.00 57.88 57.48 2uup h LEU 376 Cb 0.29 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 2uup h LEU 376 CO 0.01 1.14 0.58 0.00 0.09 0.00 0.00 178.44 180.27 2uup h ALA 377 N 0.35 1.98 0.00 1.53 0.00 -1.11 -1.86 119.26 120.16 2uup h ALA 377 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2uup h ALA 377 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2uup h ALA 377 CO 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.09 2uup n ALA 378 N -2.46 1.36 -0.23 0.00 0.00 -0.78 -2.33 120.51 116.07 2uup n ALA 378 Ca 0.19 0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.65 2uup n ALA 378 Cb 0.58 -1.21 0.19 0.00 0.00 0.00 0.00 19.45 19.01 2uup n ALA 378 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2uup h LEU 379 N 0.00 0.91 -5.00 0.00 3.38 -1.43 -3.39 115.31 109.79 2uup h LEU 379 Ca 0.00 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 2uup h LEU 379 Cb 0.16 -0.23 -0.16 0.00 0.09 0.00 0.00 40.66 40.52 2uup h LEU 379 CO 0.00 0.72 -0.48 -1.14 0.09 0.00 0.00 178.44 177.64 2uup n ARG 380 N -4.37 0.54 -0.02 1.13 0.63 -1.02 -4.92 116.66 108.63 2uup n ARG 380 Ca 0.08 -1.98 0.13 0.00 -0.92 0.00 0.00 57.85 55.15 2uup n ARG 380 Cb 0.09 -1.42 0.55 0.00 0.45 0.00 0.00 32.46 32.13 2uup n ARG 380 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 2uup h PRO 381 N 4.90 0.28 0.00 -0.14 0.11 -1.67 -2.20 132.00 133.28 2uup h PRO 381 Ca 0.04 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 2uup h PRO 381 Cb 1.11 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2uup h PRO 381 CO 0.03 0.19 -0.17 1.05 -0.21 0.00 0.00 178.00 178.89 2uup h GLU 382 N 0.29 0.00 -0.29 1.05 9.09 -1.96 -2.18 114.58 120.58 2uup h GLU 382 Ca 0.23 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.64 2uup h GLU 382 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.63 2uup h GLU 382 CO -0.05 0.17 0.00 1.33 0.05 0.00 0.00 179.01 180.51 2uup n VAL 383 N -3.86 1.84 -4.75 -1.06 0.24 -0.84 -5.04 118.33 104.86 2uup n VAL 383 Ca -0.02 -1.58 -0.33 0.00 -2.04 0.00 0.00 64.34 60.38 2uup n VAL 383 Cb 0.26 0.01 -0.12 0.00 -1.47 0.00 0.00 33.84 32.52 2uup n VAL 383 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2uup s ALA 384 N -2.19 2.78 0.07 2.33 0.00 -0.82 -1.02 121.76 122.90 2uup s ALA 384 Ca 0.35 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.41 2uup s ALA 384 Cb 0.26 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 2uup s ALA 384 CO 0.11 0.57 -0.18 -1.21 0.00 0.00 0.00 175.76 175.05 2uup s GLU 385 N -0.90 1.96 -0.08 0.00 0.41 0.07 -4.97 118.70 115.19 2uup s GLU 385 Ca 0.13 -1.06 0.04 0.00 -0.41 0.00 0.00 54.97 53.67 2uup s GLU 385 Cb -0.11 -2.15 -0.01 0.00 -1.78 0.00 0.00 34.13 30.08 2uup s GLU 385 CO 0.02 0.52 -0.21 -1.14 -0.49 0.00 0.00 175.26 173.96 2uup s GLN 386 N -1.68 2.87 0.34 1.61 0.74 -1.26 -0.48 119.66 121.81 2uup s GLN 386 Ca 0.16 -0.83 0.04 0.00 0.05 0.00 0.00 55.36 54.78 2uup s GLN 386 Cb -0.10 -2.33 -0.06 0.00 1.10 0.00 0.00 33.01 31.62 2uup s GLN 386 CO 0.07 0.31 0.06 0.95 -0.55 0.00 0.00 175.29 176.13 2uup s THR 387 N 0.04 1.20 -0.02 -0.34 -4.23 0.18 -4.95 115.64 107.52 2uup s THR 387 Ca -0.08 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.19 2uup s THR 387 Cb -0.15 -2.76 -0.20 0.00 1.34 0.00 0.00 72.50 70.73 2uup s THR 387 CO 0.05 0.00 1.16 -0.08 -0.54 0.00 0.00 174.62 175.22 2uup h GLU 388 N 2.04 0.19 -6.17 3.99 4.81 -1.93 -3.33 114.58 114.18 2uup h GLU 388 Ca -0.41 -0.14 -0.58 0.00 -0.13 0.00 0.00 59.36 58.10 2uup h GLU 388 Cb 1.25 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 30.54 2uup h GLU 388 CO 0.70 0.78 -0.68 0.95 -0.73 0.00 0.00 179.01 180.03 2uup s THR 389 N -3.68 2.94 0.19 0.32 -4.23 -1.26 -1.42 115.64 108.50 2uup s THR 389 Ca -0.15 -2.10 -0.09 0.00 -1.18 0.00 0.00 61.69 58.16 2uup s THR 389 Cb 0.02 -2.64 0.10 0.00 1.34 0.00 0.00 72.50 71.33 2uup s THR 389 CO 0.73 -0.35 1.70 -0.03 -0.54 0.00 0.00 174.62 176.13 2uup h MET 390 N 2.01 1.12 -0.37 3.99 4.05 -1.96 -2.33 114.93 121.44 2uup h MET 390 Ca -0.42 -0.28 0.04 0.00 -0.28 0.00 0.00 59.70 58.76 2uup h MET 390 Cb 1.25 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 31.87 2uup h MET 390 CO 0.61 1.00 0.13 1.49 0.23 0.00 0.00 176.91 180.37 2uup h GLU 391 N 1.05 0.27 -0.88 0.39 4.81 -1.97 0.22 114.58 118.47 2uup h GLU 391 Ca 0.21 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.50 2uup h GLU 391 Cb 0.40 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.65 2uup h GLU 391 CO 0.01 0.18 0.53 1.96 -0.73 0.00 0.00 179.01 180.96 2uup h GLN 392 N 0.28 0.91 -0.62 1.92 4.20 -1.94 -0.80 115.11 119.06 2uup h GLN 392 Ca 0.17 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 2uup h GLN 392 Cb 0.15 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2uup h GLN 392 CO -0.18 0.60 0.10 0.00 -0.67 0.00 0.00 178.83 178.68 2uup h ALA 393 N 1.44 0.82 -0.47 3.87 0.00 -0.83 -0.73 119.26 123.36 2uup h ALA 393 Ca 0.40 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2uup h ALA 393 Cb 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2uup h ALA 393 CO -0.21 0.57 -0.15 0.52 0.00 0.00 0.00 179.25 179.99 2uup h MET 394 N 0.93 0.93 0.00 0.00 2.86 -0.40 -1.01 114.93 118.24 2uup h MET 394 Ca 0.19 -0.38 -0.05 0.00 -2.06 0.00 0.00 59.70 57.40 2uup h MET 394 Cb 0.42 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2uup h MET 394 CO 0.01 1.04 -0.26 0.00 1.06 0.00 0.00 176.91 178.76 2uup h ARG 395 N 0.78 0.00 -0.13 1.72 3.08 -1.05 -0.92 114.38 117.85 2uup h ARG 395 Ca 0.11 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 2uup h ARG 395 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2uup h ARG 395 CO 0.05 0.26 -0.40 1.25 -1.07 0.00 0.00 179.97 180.06 2uup h LEU 396 N 0.00 0.58 0.04 3.04 5.85 -0.91 -3.35 115.31 120.56 2uup h LEU 396 Ca -0.00 -0.60 -0.23 0.00 0.84 0.00 0.00 57.88 57.89 2uup h LEU 396 Cb 0.75 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2uup h LEU 396 CO 0.03 1.08 -1.08 0.17 -0.34 0.00 0.00 178.44 178.31 2uup h LEU 397 N 0.12 0.12 -0.56 2.25 8.10 -0.99 -3.39 115.31 120.95 2uup h LEU 397 Ca -0.01 -0.13 0.09 0.00 0.11 0.00 0.00 57.88 57.94 2uup h LEU 397 Cb 1.03 -0.04 -0.07 0.00 -0.44 0.00 0.00 40.66 41.14 2uup h LEU 397 CO 0.09 1.10 0.18 0.00 -4.11 0.00 0.00 178.44 175.70 2uup h ALA 398 N 0.88 0.69 0.00 0.17 0.00 -1.31 0.84 119.26 120.54 2uup h ALA 398 Ca -0.05 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2uup h ALA 398 Cb 1.83 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 2uup h ALA 398 CO 0.15 -0.23 -0.01 -1.35 0.00 0.00 0.00 179.25 177.82 2uup h PRO 399 N 0.35 0.00 -0.00 0.00 0.11 -1.78 -2.46 132.00 128.22 2uup h PRO 399 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 2uup h PRO 399 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 2uup h PRO 399 CO -0.30 0.01 -0.35 0.54 -0.21 0.00 0.00 178.00 177.69 2uup n ARG 400 N -3.38 0.37 -2.45 1.05 1.74 0.28 -4.89 116.66 109.37 2uup n ARG 400 Ca -0.03 -0.20 -0.42 0.00 -0.77 0.00 0.00 57.85 56.43 2uup n ARG 400 Cb 0.09 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.00 2uup n ARG 400 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2uup s VAL 401 N -2.77 3.97 0.21 1.55 1.01 -0.93 -5.04 120.40 118.41 2uup s VAL 401 Ca 0.18 1.50 0.11 0.00 0.00 0.00 0.00 61.98 63.77 2uup s VAL 401 Cb 0.18 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2uup s VAL 401 CO 0.60 0.16 -0.23 -1.10 0.00 0.00 0.00 175.10 174.54 2uup s GLN 402 N 0.59 1.53 0.27 2.72 -1.52 -1.26 -5.07 119.66 116.92 2uup s GLN 402 Ca 0.56 -1.56 -0.30 0.00 -1.95 0.00 0.00 55.36 52.10 2uup s GLN 402 Cb -0.29 -1.78 -0.13 0.00 -0.22 0.00 0.00 33.01 30.58 2uup s GLN 402 CO 0.31 0.37 1.31 -2.30 -0.25 0.00 0.00 175.29 174.74 2uup n PRO 403 N 0.10 1.93 0.00 2.91 -0.02 -1.26 -1.46 135.00 137.20 2uup n PRO 403 Ca -0.11 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2uup n PRO 403 Cb 0.57 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2uup n PRO 403 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uup n GLY 404 N 1.65 1.36 3.87 -1.23 0.00 0.04 -4.82 105.19 106.06 2uup n GLY 404 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2uup n GLY 404 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2uup s ASP 405 N -1.78 5.59 -0.04 1.61 1.11 -0.53 -0.57 116.67 122.06 2uup s ASP 405 Ca 0.00 1.23 0.05 0.00 0.18 0.00 0.00 52.55 54.01 2uup s ASP 405 Cb 0.00 -2.09 -0.01 0.00 1.07 0.00 0.00 42.92 41.89 2uup s ASP 405 CO 0.00 -1.26 -0.20 -0.32 1.18 0.00 0.00 175.17 174.57 2uup s MET 406 N -5.30 1.91 -0.22 8.23 -2.45 -0.55 -2.71 119.30 118.21 2uup s MET 406 Ca 0.57 -0.72 -0.04 0.00 -1.25 0.00 0.00 55.69 54.26 2uup s MET 406 Cb -0.11 -1.70 -0.01 0.00 1.25 0.00 0.00 34.83 34.25 2uup s MET 406 CO 0.53 0.34 -0.03 0.08 1.05 0.00 0.00 175.02 176.99 2uup s VAL 407 N -0.18 3.47 -0.22 10.11 1.01 -0.23 -0.89 120.40 133.47 2uup s VAL 407 Ca 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.53 2uup s VAL 407 Cb -0.11 -2.59 0.05 0.00 0.00 0.00 0.00 36.38 33.74 2uup s VAL 407 CO 0.01 0.41 -0.10 -0.22 0.00 0.00 0.00 175.10 175.21 2uup s LEU 408 N 1.49 2.56 -0.62 3.92 2.96 -0.32 -0.35 118.68 128.33 2uup s LEU 408 Ca 0.06 -1.04 -0.24 0.00 -0.22 0.00 0.00 54.13 52.69 2uup s LEU 408 Cb -0.14 -1.29 0.05 0.00 0.50 0.00 0.00 46.19 45.31 2uup s LEU 408 CO -0.03 -0.17 0.99 -0.22 -1.32 0.00 0.00 176.35 175.61 2uup s LEU 409 N 1.33 4.12 -0.41 -0.68 2.96 -0.23 -0.97 118.68 124.80 2uup s LEU 409 Ca -0.03 -0.64 0.06 0.00 -0.22 0.00 0.00 54.13 53.29 2uup s LEU 409 Cb -0.17 -2.62 0.20 0.00 0.50 0.00 0.00 46.19 44.10 2uup s LEU 409 CO -0.07 -1.39 0.44 -0.24 -1.32 0.00 0.00 176.35 173.77 2uup n SER 410 N 7.78 -0.54 0.02 3.68 2.88 -1.12 -0.28 113.62 126.04 2uup n SER 410 Ca -0.01 -2.54 0.14 0.00 -1.33 0.00 0.00 58.87 55.13 2uup n SER 410 Cb 0.47 -0.36 0.58 0.00 -0.75 0.00 0.00 64.21 64.14 2uup n SER 410 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2uup n PRO 411 N 2.33 0.05 -1.06 -1.46 -0.04 -1.23 -4.73 135.00 128.86 2uup n PRO 411 Ca 0.26 0.04 -0.02 0.00 -0.04 0.00 0.00 63.50 63.73 2uup n PRO 411 Cb 0.51 -1.55 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 2uup n PRO 411 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2uup n ALA 412 N -1.55 -0.03 -2.45 0.55 0.00 -0.48 -2.09 120.51 114.46 2uup n ALA 412 Ca 0.07 0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.46 2uup n ALA 412 Cb 0.36 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 2uup n ALA 412 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uup s ALA 414 N -2.98 2.18 -1.81 0.00 0.00 0.18 -4.28 121.76 115.05 2uup s ALA 414 Ca -0.02 0.59 0.24 0.00 0.00 0.00 0.00 51.96 52.78 2uup s ALA 414 Cb 0.01 -3.37 0.29 0.00 0.00 0.00 0.00 23.12 20.05 2uup s ALA 414 CO -0.07 -1.77 1.27 -1.13 0.00 0.00 0.00 175.76 174.07 2uup n SER 415 N -3.00 1.51 0.17 0.00 3.41 -1.26 -0.99 113.62 113.46 2uup n SER 415 Ca 0.11 -1.19 0.13 0.00 -0.26 0.00 0.00 58.87 57.66 2uup n SER 415 Cb 0.52 0.38 0.57 0.00 -0.26 0.00 0.00 64.21 65.42 2uup n SER 415 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2uup h LEU 416 N 1.69 0.00 -1.26 1.04 3.38 -1.91 0.10 115.31 118.36 2uup h LEU 416 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2uup h LEU 416 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2uup h LEU 416 CO 0.00 0.00 -0.23 -2.24 0.09 0.00 0.00 178.44 176.06 2uup h ASP 417 N 0.00 0.00 0.00 -0.43 2.03 -1.95 -3.37 116.42 112.69 2uup h ASP 417 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2uup h ASP 417 Cb 0.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 2uup h ASP 417 CO 0.00 0.23 -0.17 0.00 -1.03 0.00 0.00 179.24 178.27 2uup n GLN 418 N -3.48 3.18 -4.31 4.15 6.02 -0.56 -5.00 117.38 117.37 2uup n GLN 418 Ca -0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 2uup n GLN 418 Cb 0.40 -0.42 -0.10 0.00 1.02 0.00 0.00 30.24 31.14 2uup n GLN 418 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2uup s PHE 419 N -0.50 1.53 0.23 1.08 0.08 0.24 -5.05 117.98 115.60 2uup s PHE 419 Ca 0.00 -0.70 -0.06 0.00 0.12 0.00 0.00 56.93 56.28 2uup s PHE 419 Cb 0.00 -0.77 0.22 0.00 -0.57 0.00 0.00 43.02 41.90 2uup s PHE 419 CO 0.00 0.19 1.84 -0.22 -0.10 0.00 0.00 175.22 176.93 2uup h LYS 420 N 2.61 1.21 -1.86 0.44 3.64 -1.89 -3.36 116.57 117.36 2uup h LYS 420 Ca -0.38 -0.17 0.26 0.00 -1.27 0.00 0.00 60.65 59.10 2uup h LYS 420 Cb 1.21 -0.22 -0.10 0.00 -0.41 0.00 0.00 32.23 32.70 2uup h LYS 420 CO 0.63 0.92 0.67 0.54 -2.27 0.00 0.00 179.45 179.94 2uup s ASN 421 N -6.30 -0.11 0.56 4.20 2.20 -1.26 -4.90 114.94 109.33 2uup s ASN 421 Ca -0.12 -0.27 0.34 0.00 -0.94 0.00 0.00 52.86 51.87 2uup s ASN 421 Cb 0.17 0.31 1.53 0.00 -2.00 0.00 0.00 41.25 41.26 2uup s ASN 421 CO 0.83 -0.58 2.05 2.19 -2.94 0.00 0.00 177.10 178.66 2uup h PHE 422 N 2.00 0.00 -0.43 1.54 -5.15 -1.92 -2.22 116.94 110.76 2uup h PHE 422 Ca -0.28 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.45 2uup h PHE 422 Cb 1.22 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.37 2uup h PHE 422 CO 0.38 0.05 0.11 0.93 -2.00 0.00 0.00 178.31 177.78 2uup h GLU 423 N 0.00 0.68 -0.57 6.09 3.07 -1.96 -0.60 114.58 121.30 2uup h GLU 423 Ca -0.00 -0.16 -0.09 0.00 -0.50 0.00 0.00 59.36 58.61 2uup h GLU 423 Cb 0.42 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 2uup h GLU 423 CO 0.01 0.69 -0.01 0.37 -1.40 0.00 0.00 179.01 178.67 2uup h GLN 424 N 0.55 0.98 -0.21 2.33 4.15 -1.81 0.28 115.11 121.38 2uup h GLN 424 Ca 0.13 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.25 2uup h GLN 424 Cb 0.31 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2uup h GLN 424 CO 0.00 0.97 0.13 -0.09 -1.93 0.00 0.00 178.83 177.91 2uup h ARG 425 N 0.90 0.28 -0.34 1.69 2.43 -1.35 -1.31 114.38 116.69 2uup h ARG 425 Ca 0.16 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2uup h ARG 425 Cb 0.54 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2uup h ARG 425 CO 0.03 0.21 0.18 0.78 -1.51 0.00 0.00 179.97 179.66 2uup h GLY 426 N 0.27 0.46 0.93 2.80 0.00 -0.86 -1.22 103.07 105.44 2uup h GLY 426 Ca 0.08 -0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.30 2uup h GLY 426 CO -0.02 0.11 0.50 3.43 0.00 0.00 0.00 176.54 180.56 2uup h ASN 427 N 0.37 0.84 -0.47 0.19 2.35 -0.83 -0.19 115.58 117.83 2uup h ASN 427 Ca 0.14 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.77 2uup h ASN 427 Cb 0.03 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2uup h ASN 427 CO -0.08 0.59 -0.11 -0.08 -1.65 0.00 0.00 177.43 176.10 2uup h GLU 428 N 0.99 0.91 -0.33 0.81 4.57 -1.10 -0.98 114.58 119.45 2uup h GLU 428 Ca 0.30 -0.35 0.05 0.00 -1.18 0.00 0.00 59.36 58.18 2uup h GLU 428 Cb -0.04 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.45 2uup h GLU 428 CO -0.09 1.00 0.05 0.35 -1.18 0.00 0.00 179.01 179.14 2uup h PHE 429 N 0.76 0.07 -0.66 0.92 3.57 -1.00 -1.08 116.94 119.53 2uup h PHE 429 Ca 0.12 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 2uup h PHE 429 Cb 0.66 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 2uup h PHE 429 CO 0.05 -0.00 0.40 0.00 -2.23 0.00 0.00 178.31 176.52 2uup h ALA 430 N 1.26 0.84 -0.08 2.41 0.00 -0.83 0.12 119.26 122.98 2uup h ALA 430 Ca 0.16 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2uup h ALA 430 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2uup h ALA 430 CO -0.22 0.31 0.03 -0.09 0.00 0.00 0.00 179.25 179.28 2uup h ARG 431 N 0.89 0.07 -0.61 0.00 2.43 -1.00 -2.16 114.38 114.00 2uup h ARG 431 Ca 0.24 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.31 2uup h ARG 431 Cb -0.03 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2uup h ARG 431 CO -0.04 0.05 0.04 -0.07 -1.51 0.00 0.00 179.97 178.43 2uup h LEU 432 N 0.07 1.01 -0.59 3.80 3.38 -0.94 -2.00 115.31 120.03 2uup h LEU 432 Ca 0.04 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.81 2uup h LEU 432 Cb 0.02 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.44 2uup h LEU 432 CO -0.04 1.04 0.27 0.00 0.09 0.00 0.00 178.44 179.80 2uup h ALA 433 N 1.07 0.77 -0.43 1.53 0.00 -0.68 0.12 119.26 121.64 2uup h ALA 433 Ca 0.18 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 2uup h ALA 433 Cb 0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2uup h ALA 433 CO 0.02 -0.12 -0.22 0.87 0.00 0.00 0.00 179.25 179.80 2uup h LYS 434 N 0.49 0.88 -0.12 0.00 1.57 -1.02 0.37 116.57 118.74 2uup h LYS 434 Ca 0.28 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2uup h LYS 434 Cb 0.28 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2uup h LYS 434 CO -0.24 1.01 0.03 1.49 -0.57 0.00 0.00 179.45 181.17 2uup h GLU 435 N 0.76 0.19 0.00 3.15 4.81 -1.10 -3.33 114.58 119.06 2uup h GLU 435 Ca 0.10 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2uup h GLU 435 Cb 0.77 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2uup h GLU 435 CO 0.06 0.35 -0.66 -0.07 -0.73 0.00 0.00 179.01 177.97 2uup h LEU 436 N -0.00 0.00 -2.05 1.64 3.38 -0.61 -3.34 115.31 114.33 2uup h LEU 436 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2uup h LEU 436 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2uup h LEU 436 CO -0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 2uup n GLY 437 N 1.17 1.57 2.97 0.83 0.00 0.13 -4.85 105.19 107.02 2uup n GLY 437 Ca 0.02 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 2uup n GLY 437 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uup s SER 438 N -1.10 0.46 0.17 1.61 1.04 -1.25 -4.76 113.70 109.87 2uup s SER 438 Ca 0.38 -0.27 -0.09 0.00 0.48 0.00 0.00 55.95 56.44 2uup s SER 438 Cb 0.20 0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.37 2uup s SER 438 CO 0.27 -0.09 1.58 0.45 0.98 0.00 0.00 173.24 176.43 2uup h HIS 439 N 5.37 1.14 0.00 5.02 -0.00 -1.88 -3.48 115.15 121.32 2uup h HIS 439 Ca -0.30 -0.25 0.00 0.00 -0.00 0.00 0.00 60.37 59.82 2uup h HIS 439 Cb 1.20 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 28.34 2uup h HIS 439 CO 0.52 1.08 0.00 1.58 -0.00 0.00 0.00 177.93 181.11