#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyu n HIS -10 N 0.00 0.00 -2.07 1.57 -0.00 -1.26 -4.97 115.22 108.49 2pyu n HIS -10 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.44 2pyu n HIS -10 Cb 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 29.99 30.12 2pyu n HIS -10 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2pyu s SER -9 N 0.00 3.97 0.65 4.39 0.15 -1.26 -5.05 113.70 116.55 2pyu s SER -9 Ca 0.00 0.35 -0.17 0.00 0.70 0.00 0.00 55.95 56.83 2pyu s SER -9 Cb 0.00 -0.67 -0.01 0.00 -1.71 0.00 0.00 66.02 63.63 2pyu s SER -9 CO 0.00 -2.18 1.22 -0.44 1.20 0.00 0.00 173.24 173.04 2pyu s SER -8 N -4.72 4.78 0.00 5.45 0.01 -1.26 -4.29 113.70 113.67 2pyu s SER -8 Ca 0.67 2.40 0.00 0.00 1.31 0.00 0.00 55.95 60.33 2pyu s SER -8 Cb -0.07 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2pyu s SER -8 CO 0.49 -1.87 0.00 0.61 0.41 0.00 0.00 173.24 172.88 2pyu n GLY -7 N 0.49 0.97 0.08 3.44 0.00 -1.26 -4.97 105.19 103.94 2pyu n GLY -7 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2pyu n GLY -7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pyu n LEU -6 N 0.00 0.42 -4.22 0.99 4.77 -1.26 -4.89 117.00 112.81 2pyu n LEU -6 Ca 0.00 0.18 -0.17 0.00 -0.03 0.00 0.00 56.01 55.99 2pyu n LEU -6 Cb 0.00 0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 41.15 2pyu n LEU -6 CO 0.00 0.20 -0.44 0.68 -1.33 0.00 0.00 177.39 176.50 2pyu s VAL -5 N -2.96 1.23 0.40 4.08 -7.23 -1.26 -4.99 120.40 109.67 2pyu s VAL -5 Ca -0.06 -1.65 -0.22 0.00 -1.81 0.00 0.00 61.98 58.24 2pyu s VAL -5 Cb 0.09 -1.44 -0.11 0.00 0.56 0.00 0.00 36.38 35.48 2pyu s VAL -5 CO 0.84 -0.42 0.95 -2.16 -0.31 0.00 0.00 175.10 173.99 2pyu s PRO -4 N -2.58 4.31 -0.72 4.82 0.04 -1.26 -5.03 135.00 134.58 2pyu s PRO -4 Ca 0.07 1.17 0.04 0.00 0.04 0.00 0.00 61.00 62.32 2pyu s PRO -4 Cb -0.05 -2.34 0.20 0.00 0.04 0.00 0.00 34.50 32.35 2pyu s PRO -4 CO 0.02 0.05 0.60 0.54 0.04 0.00 0.00 177.00 178.26 2pyu n ARG -3 N -0.34 2.14 0.00 4.56 1.74 -1.26 -4.82 116.66 118.68 2pyu n ARG -3 Ca 0.06 -4.54 0.00 0.00 -0.77 0.00 0.00 57.85 52.60 2pyu n ARG -3 Cb 0.53 -2.30 0.00 0.00 -1.02 0.00 0.00 32.46 29.67 2pyu n ARG -3 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pyu n GLY -2 N 1.71 0.00 0.12 -0.13 0.00 -1.26 -5.04 105.19 100.59 2pyu n GLY -2 Ca 0.23 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 2pyu n GLY -2 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pyu n SER -1 N 0.00 1.60 -4.57 1.61 2.88 -1.26 -4.98 113.62 108.89 2pyu n SER -1 Ca 0.00 0.09 -0.30 0.00 -1.33 0.00 0.00 58.87 57.33 2pyu n SER -1 Cb 0.00 -0.33 0.21 0.00 -0.75 0.00 0.00 64.21 63.35 2pyu n SER -1 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2pyu s HIS 0 N -2.54 1.43 0.22 0.66 -3.43 -1.26 -5.07 115.29 105.30 2pyu s HIS 0 Ca -0.23 1.50 -0.04 0.00 -0.80 0.00 0.00 55.06 55.49 2pyu s HIS 0 Cb 0.08 -3.22 -0.05 0.00 -1.43 0.00 0.00 32.58 27.95 2pyu s HIS 0 CO 0.73 -3.42 0.46 -1.64 -2.00 0.00 0.00 174.74 168.87 2pyu s MET 1 N -4.53 3.62 -0.21 -0.38 1.00 -1.26 -4.84 119.30 112.70 2pyu s MET 1 Ca 0.68 -0.08 -0.05 0.00 0.00 0.00 0.00 55.69 56.24 2pyu s MET 1 Cb -0.24 -2.75 -0.02 0.00 0.00 0.00 0.00 34.83 31.82 2pyu s MET 1 CO 0.62 0.34 0.00 -1.14 0.00 0.00 0.00 175.02 174.84 2pyu s GLN 2 N -3.17 3.59 0.14 2.03 2.00 0.10 -4.93 119.66 119.42 2pyu s GLN 2 Ca 0.42 -0.53 -0.30 0.00 -2.00 0.00 0.00 55.36 52.95 2pyu s GLN 2 Cb -0.11 -3.10 -0.07 0.00 0.80 0.00 0.00 33.01 30.53 2pyu s GLN 2 CO 0.27 -0.04 1.10 0.21 -0.50 0.00 0.00 175.29 176.33 2pyu s LYS 3 N 1.14 4.57 -0.04 1.67 2.20 -1.26 0.38 119.74 128.40 2pyu s LYS 3 Ca 0.03 1.68 0.01 0.00 -0.36 0.00 0.00 55.97 57.33 2pyu s LYS 3 Cb -0.14 -3.31 0.02 0.00 -1.51 0.00 0.00 37.83 32.89 2pyu s LYS 3 CO 0.01 0.01 -0.04 0.08 -0.36 0.00 0.00 175.35 175.05 2pyu s VAL 4 N 0.13 0.51 -0.10 4.02 1.01 -0.06 -4.36 120.40 121.55 2pyu s VAL 4 Ca 0.51 -0.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.16 2pyu s VAL 4 Cb -0.28 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 2pyu s VAL 4 CO 0.33 0.22 0.70 0.54 0.00 0.00 0.00 175.10 176.89 2pyu s VAL 5 N 0.98 5.03 -0.12 2.92 0.11 -0.78 -1.20 120.40 127.35 2pyu s VAL 5 Ca -0.10 1.41 -0.22 0.00 -2.93 0.00 0.00 61.98 60.14 2pyu s VAL 5 Cb -0.14 -4.03 -0.03 0.00 -1.53 0.00 0.00 36.38 30.65 2pyu s VAL 5 CO -0.00 0.21 0.67 -0.22 -3.33 0.00 0.00 175.10 172.42 2pyu s LEU 6 N 1.09 4.25 -1.15 2.54 2.96 0.56 -1.43 118.68 127.51 2pyu s LEU 6 Ca 0.36 1.05 -0.07 0.00 -0.22 0.00 0.00 54.13 55.24 2pyu s LEU 6 Cb -0.17 -3.00 -0.06 0.00 0.50 0.00 0.00 46.19 43.46 2pyu s LEU 6 CO 0.16 -0.17 2.38 0.00 -1.32 0.00 0.00 176.35 177.40 2pyu n ALA 7 N 4.23 5.61 -3.49 5.97 0.00 0.79 -1.36 120.51 132.27 2pyu n ALA 7 Ca -0.01 -2.51 -0.11 0.00 0.00 0.00 0.00 53.44 50.80 2pyu n ALA 7 Cb 0.51 -3.13 -0.02 0.00 0.00 0.00 0.00 19.45 16.81 2pyu n ALA 7 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2pyu s THR 8 N 3.03 0.00 -1.23 0.00 -1.32 -1.26 -4.83 115.64 110.04 2pyu s THR 8 Ca 0.49 -0.15 0.12 0.00 -1.21 0.00 0.00 61.69 60.95 2pyu s THR 8 Cb 0.13 -1.15 0.25 0.00 -1.51 0.00 0.00 72.50 70.22 2pyu s THR 8 CO -0.04 0.00 1.14 0.61 -2.21 0.00 0.00 174.62 174.12 2pyu n GLY 9 N -0.38 1.68 3.61 6.08 0.00 -1.26 -2.22 105.19 112.69 2pyu n GLY 9 Ca -0.14 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 2pyu n GLY 9 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pyu s ASN 10 N -1.01 5.83 0.29 1.61 2.47 -1.26 -4.87 114.94 117.99 2pyu s ASN 10 Ca 0.22 1.61 -0.02 0.00 0.42 0.00 0.00 52.86 55.09 2pyu s ASN 10 Cb 0.12 -2.52 0.42 0.00 -1.45 0.00 0.00 41.25 37.82 2pyu s ASN 10 CO 0.17 -1.71 1.95 1.62 -3.72 0.00 0.00 177.10 175.41 2pyu h VAL 11 N 6.79 1.19 0.16 -5.21 3.04 -1.99 -1.49 116.25 118.74 2pyu h VAL 11 Ca -0.37 -0.40 -0.00 0.00 -1.01 0.00 0.00 66.70 64.92 2pyu h VAL 11 Cb 1.19 -0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.40 2pyu h VAL 11 CO 1.00 0.21 -0.11 1.23 -1.01 0.00 0.00 177.57 178.89 2pyu h GLY 12 N 1.16 -0.27 0.75 3.17 0.00 -1.99 0.24 103.07 106.12 2pyu h GLY 12 Ca 0.34 0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.85 2pyu h GLY 12 CO -0.09 -0.12 0.48 0.50 0.00 0.00 0.00 176.54 177.31 2pyu h LYS 13 N -0.28 0.86 -0.27 4.80 1.57 -1.92 -0.74 116.57 120.59 2pyu h LYS 13 Ca -0.01 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2pyu h LYS 13 Cb 0.24 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2pyu h LYS 13 CO 0.00 0.57 0.03 0.28 -0.57 0.00 0.00 179.45 179.76 2pyu h VAL 14 N 0.88 1.24 -0.43 0.50 2.07 -1.02 -1.44 116.25 118.06 2pyu h VAL 14 Ca 0.34 -0.83 0.05 0.00 0.82 0.00 0.00 66.70 67.08 2pyu h VAL 14 Cb 0.14 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 2pyu h VAL 14 CO -0.16 0.27 0.15 0.03 0.02 0.00 0.00 177.57 177.88 2pyu h ARG 15 N 0.27 0.31 -0.06 1.57 3.08 -0.37 0.16 114.38 119.34 2pyu h ARG 15 Ca 0.08 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2pyu h ARG 15 Cb 0.36 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 2pyu h ARG 15 CO 0.01 0.20 0.03 1.49 -1.07 0.00 0.00 179.97 180.64 2pyu h GLU 16 N 0.32 0.08 -0.09 0.04 4.81 -1.09 -2.25 114.58 116.39 2pyu h GLU 16 Ca 0.20 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 2pyu h GLU 16 Cb 0.19 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.56 2pyu h GLU 16 CO -0.20 0.10 -0.43 1.25 -0.73 0.00 0.00 179.01 179.00 2pyu h LEU 17 N 0.03 0.53 -0.91 1.64 5.85 -1.22 -2.39 115.31 118.85 2pyu h LEU 17 Ca 0.02 -0.64 0.10 0.00 0.84 0.00 0.00 57.88 58.20 2pyu h LEU 17 Cb 0.04 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.84 2pyu h LEU 17 CO -0.00 1.09 0.55 0.00 -0.34 0.00 0.00 178.44 179.73 2pyu h ALA 18 N 0.46 1.32 -0.50 1.25 0.00 -0.69 -1.05 119.26 120.05 2pyu h ALA 18 Ca -0.03 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2pyu h ALA 18 Cb 1.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2pyu h ALA 18 CO 0.09 0.17 -0.06 1.03 0.00 0.00 0.00 179.25 180.48 2pyu h SER 19 N 0.90 0.86 0.36 0.00 0.87 -1.39 -0.98 113.55 114.16 2pyu h SER 19 Ca 0.44 -0.25 -0.18 0.00 -1.23 0.00 0.00 61.79 60.57 2pyu h SER 19 Cb 0.40 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2pyu h SER 19 CO -0.25 0.95 -0.76 -0.07 -0.53 0.00 0.00 176.83 176.18 2pyu h LEU 20 N 0.80 0.39 0.00 2.23 3.38 -0.77 -3.34 115.31 117.99 2pyu h LEU 20 Ca 0.14 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2pyu h LEU 20 Cb 0.56 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2pyu h LEU 20 CO 0.03 1.01 -1.47 0.18 0.09 0.00 0.00 178.44 178.28 2pyu n LEU 21 N -3.79 0.48 -0.39 1.67 4.77 -0.49 -4.32 117.00 114.93 2pyu n LEU 21 Ca -0.04 -0.20 -0.04 0.00 -0.03 0.00 0.00 56.01 55.70 2pyu n LEU 21 Cb 0.72 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.80 2pyu n LEU 21 CO 0.47 0.10 0.54 -0.24 -1.33 0.00 0.00 177.39 176.94 2pyu n SER 22 N -1.92 -0.77 0.28 -1.43 2.88 -0.38 -0.74 113.62 111.54 2pyu n SER 22 Ca -0.00 1.73 0.12 0.00 -1.33 0.00 0.00 58.87 59.39 2pyu n SER 22 Cb 0.46 -0.34 0.80 0.00 -0.75 0.00 0.00 64.21 64.38 2pyu n SER 22 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2pyu h ASP 23 N 0.00 0.00 -0.07 -3.46 3.32 -1.81 0.26 116.42 114.67 2pyu h ASP 23 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2pyu h ASP 23 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2pyu h ASP 23 CO -0.96 0.02 0.00 0.49 -1.72 0.00 0.00 179.24 177.07 2pyu n PHE 24 N -4.05 0.08 -0.70 4.55 3.72 0.08 -4.89 117.46 116.25 2pyu n PHE 24 Ca -0.03 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2pyu n PHE 24 Cb 0.10 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 2pyu n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pyu n GLY 25 N 0.96 0.58 3.64 1.37 0.00 0.93 -4.34 105.19 108.33 2pyu n GLY 25 Ca 0.16 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 2pyu n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pyu s LEU 26 N 0.00 3.88 -0.58 0.99 1.43 -0.92 0.02 118.68 123.51 2pyu s LEU 26 Ca 0.00 0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 53.06 2pyu s LEU 26 Cb 0.00 -1.99 0.14 0.00 0.03 0.00 0.00 46.19 44.37 2pyu s LEU 26 CO 0.00 0.16 0.50 -0.62 0.23 0.00 0.00 176.35 176.62 2pyu s ASP 27 N 0.48 6.11 -0.09 2.29 2.15 0.16 -3.71 116.67 124.06 2pyu s ASP 27 Ca 0.04 -2.03 -0.20 0.00 0.43 0.00 0.00 52.55 50.79 2pyu s ASP 27 Cb -0.12 -2.14 -0.04 0.00 -0.30 0.00 0.00 42.92 40.32 2pyu s ASP 27 CO 0.00 -0.74 0.56 -0.63 -0.17 0.00 0.00 175.17 174.20 2pyu s ILE 28 N 1.20 5.11 -0.02 4.11 -1.09 -1.26 -0.88 121.20 128.37 2pyu s ILE 28 Ca 0.07 1.15 0.02 0.00 -2.23 0.00 0.00 60.65 59.66 2pyu s ILE 28 Cb -0.25 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 2pyu s ILE 28 CO -0.00 0.31 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.27 2pyu s VAL 29 N 0.57 0.56 0.45 2.92 1.01 -0.34 -4.83 120.40 120.73 2pyu s VAL 29 Ca 0.30 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.78 2pyu s VAL 29 Cb -0.16 -0.51 -0.08 0.00 0.00 0.00 0.00 36.38 35.62 2pyu s VAL 29 CO 0.14 0.19 1.42 0.00 0.00 0.00 0.00 175.10 176.84 2pyu s ALA 30 N 0.20 3.25 0.38 5.51 0.00 -1.26 -0.32 121.76 129.52 2pyu s ALA 30 Ca -0.02 1.44 0.24 0.00 0.00 0.00 0.00 51.96 53.62 2pyu s ALA 30 Cb -0.07 -3.58 1.25 0.00 0.00 0.00 0.00 23.12 20.72 2pyu s ALA 30 CO -0.00 -1.15 2.00 -0.56 0.00 0.00 0.00 175.76 176.05 2pyu h GLN 31 N 2.37 0.00 -0.62 0.00 3.07 -0.74 -2.44 115.11 116.75 2pyu h GLN 31 Ca -0.51 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.15 2pyu h GLN 31 Cb 1.26 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.80 2pyu h GLN 31 CO 0.61 0.17 0.05 1.79 0.09 0.00 0.00 178.83 181.54 2pyu h THR 32 N 0.00 1.26 -0.56 1.86 1.35 -1.77 -0.23 112.91 114.83 2pyu h THR 32 Ca -0.00 -1.09 0.14 0.00 -0.55 0.00 0.00 66.41 64.91 2pyu h THR 32 Cb 0.43 0.73 -0.03 0.00 -1.73 0.00 0.00 68.15 67.56 2pyu h THR 32 CO 0.02 0.40 0.39 0.44 -0.25 0.00 0.00 175.52 176.53 2pyu h ASP 33 N 0.98 0.10 -0.59 5.36 5.19 -1.79 -0.97 116.42 124.70 2pyu h ASP 33 Ca 0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 2pyu h ASP 33 Cb 0.50 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.99 2pyu h ASP 33 CO 0.02 0.06 0.00 0.18 -3.12 0.00 0.00 179.24 176.38 2pyu n LEU 34 N -4.41 4.03 -0.16 1.55 4.77 -0.89 -4.93 117.00 116.95 2pyu n LEU 34 Ca 0.10 -2.03 -0.02 0.00 -0.03 0.00 0.00 56.01 54.03 2pyu n LEU 34 Cb 0.56 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 2pyu n LEU 34 CO 0.36 0.76 -0.02 0.61 -1.33 0.00 0.00 177.39 177.76 2pyu n GLY 35 N 1.17 0.56 3.68 -0.72 0.00 -0.37 -4.93 105.19 104.58 2pyu n GLY 35 Ca 0.22 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 2pyu n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pyu s VAL 36 N -2.03 4.45 0.69 1.61 1.01 -0.15 -5.00 120.40 120.99 2pyu s VAL 36 Ca 0.00 1.76 -0.11 0.00 0.00 0.00 0.00 61.98 63.62 2pyu s VAL 36 Cb 0.00 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.26 2pyu s VAL 36 CO 0.00 -0.04 1.07 -1.81 0.00 0.00 0.00 175.10 174.32 2pyu s ASP 37 N 1.41 5.50 0.28 3.32 1.01 -1.26 -4.41 116.67 122.52 2pyu s ASP 37 Ca 0.52 1.39 -0.30 0.00 0.71 0.00 0.00 52.55 54.87 2pyu s ASP 37 Cb -0.21 -2.28 -0.13 0.00 1.01 0.00 0.00 42.92 41.31 2pyu s ASP 37 CO 0.18 -1.34 1.44 -1.20 0.21 0.00 0.00 175.17 174.47 2pyu n SER 38 N -3.04 3.11 -4.79 0.27 7.64 -1.26 -4.97 113.62 110.58 2pyu n SER 38 Ca 0.07 1.16 -0.36 0.00 1.01 0.00 0.00 58.87 60.75 2pyu n SER 38 Cb 0.55 -1.49 -0.06 0.00 -1.01 0.00 0.00 64.21 62.20 2pyu n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pyu s ALA 39 N -0.25 3.13 -0.16 -0.43 0.00 -1.26 -5.04 121.76 117.74 2pyu s ALA 39 Ca 0.64 0.51 -0.29 0.00 0.00 0.00 0.00 51.96 52.83 2pyu s ALA 39 Cb -0.59 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 2pyu s ALA 39 CO 0.52 0.08 1.61 -1.21 0.00 0.00 0.00 175.76 176.77 2pyu s GLU 40 N -2.52 3.94 -0.88 0.00 0.41 -1.26 -4.95 118.70 113.43 2pyu s GLU 40 Ca 0.56 1.84 -0.20 0.00 -0.41 0.00 0.00 54.97 56.76 2pyu s GLU 40 Cb -0.16 -4.01 0.10 0.00 -1.78 0.00 0.00 34.13 28.29 2pyu s GLU 40 CO 0.21 -1.12 1.15 -1.21 -0.49 0.00 0.00 175.26 173.80 2pyu s GLU 41 N 4.41 3.49 0.00 1.61 2.02 -1.26 -4.78 118.70 124.19 2pyu s GLU 41 Ca 0.71 -1.41 0.22 0.00 0.02 0.00 0.00 54.97 54.51 2pyu s GLU 41 Cb -0.28 -4.84 0.08 0.00 0.10 0.00 0.00 34.13 29.20 2pyu s GLU 41 CO 0.28 -1.87 1.13 2.41 0.02 0.00 0.00 175.26 177.23 2pyu n THR 42 N 5.86 0.00 -2.39 3.63 -1.04 -1.26 -4.99 114.28 114.09 2pyu n THR 42 Ca 0.19 -0.38 -0.28 0.00 -2.04 0.00 0.00 64.05 61.54 2pyu n THR 42 Cb 0.49 1.35 0.01 0.00 -1.82 0.00 0.00 70.33 70.36 2pyu n THR 42 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2pyu s GLY 43 N -2.16 1.56 0.00 3.41 0.00 -1.26 -4.99 107.32 103.89 2pyu s GLY 43 Ca 0.22 -0.48 0.20 0.00 0.00 0.00 0.00 44.72 44.66 2pyu s GLY 43 CO 0.42 -0.25 1.25 1.04 0.00 0.00 0.00 173.10 175.57 2pyu n LEU 44 N -2.48 3.04 -4.16 0.66 4.77 -1.26 -4.78 117.00 112.78 2pyu n LEU 44 Ca 0.03 -1.35 -0.12 0.00 -0.03 0.00 0.00 56.01 54.54 2pyu n LEU 44 Cb 0.56 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.40 2pyu n LEU 44 CO 0.54 0.62 -0.40 0.42 -1.33 0.00 0.00 177.39 177.25 2pyu s THR 45 N -1.44 0.76 0.17 -5.08 -4.23 -1.26 -4.81 115.64 99.75 2pyu s THR 45 Ca 0.30 -1.78 -0.15 0.00 -1.18 0.00 0.00 61.69 58.89 2pyu s THR 45 Cb 0.19 -1.49 0.05 0.00 1.34 0.00 0.00 72.50 72.58 2pyu s THR 45 CO 0.26 -0.74 1.83 -0.26 -0.54 0.00 0.00 174.62 175.18 2pyu h PHE 46 N 3.27 0.61 -0.42 3.99 0.04 -1.93 -1.42 116.94 121.08 2pyu h PHE 46 Ca -0.36 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.44 2pyu h PHE 46 Cb 1.18 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 39.09 2pyu h PHE 46 CO 0.61 0.38 0.25 0.82 -0.60 0.00 0.00 178.31 179.77 2pyu h ILE 47 N 0.66 1.05 -0.49 -0.55 2.04 -1.93 -0.45 117.51 117.83 2pyu h ILE 47 Ca 0.18 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2pyu h ILE 47 Cb -0.08 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2pyu h ILE 47 CO -0.04 0.09 0.27 -0.33 0.00 0.00 0.00 178.15 178.14 2pyu h GLU 48 N 0.50 0.69 -0.77 2.37 5.08 -1.85 -1.02 114.58 119.58 2pyu h GLU 48 Ca 0.17 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2pyu h GLU 48 Cb 0.01 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 2pyu h GLU 48 CO -0.08 0.54 0.44 -0.91 -1.00 0.00 0.00 179.01 178.01 2pyu h ASN 49 N 0.66 0.95 -0.60 1.42 2.35 -1.00 0.13 115.58 119.48 2pyu h ASN 49 Ca 0.17 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 2pyu h ASN 49 Cb 0.06 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2pyu h ASN 49 CO -0.03 0.76 0.01 0.00 -1.65 0.00 0.00 177.43 176.52 2pyu h ALA 50 N 1.23 0.81 -0.45 -0.83 0.00 -0.81 -0.57 119.26 118.65 2pyu h ALA 50 Ca 0.27 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2pyu h ALA 50 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2pyu h ALA 50 CO -0.05 0.65 -0.10 0.82 0.00 0.00 0.00 179.25 180.57 2pyu h ILE 51 N 0.96 1.27 -0.90 0.00 2.04 -1.08 -1.83 117.51 117.97 2pyu h ILE 51 Ca 0.17 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 2pyu h ILE 51 Cb 0.55 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 2pyu h ILE 51 CO 0.03 0.41 0.53 -0.07 0.00 0.00 0.00 178.15 179.05 2pyu h LEU 52 N 0.69 1.10 -0.56 1.44 3.38 -0.58 0.41 115.31 121.19 2pyu h LEU 52 Ca 0.11 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 2pyu h LEU 52 Cb 0.64 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2pyu h LEU 52 CO 0.04 0.86 -0.45 0.11 0.09 0.00 0.00 178.44 179.09 2pyu h LYS 53 N 1.25 0.64 -0.19 1.13 1.57 -0.95 -2.38 116.57 117.64 2pyu h LYS 53 Ca 0.32 -0.36 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 2pyu h LYS 53 Cb -0.03 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 2pyu h LYS 53 CO -0.06 0.96 -0.25 0.00 -0.57 0.00 0.00 179.45 179.54 2pyu h ALA 54 N 0.98 0.28 -0.83 3.86 0.00 -0.95 -2.36 119.26 120.24 2pyu h ALA 54 Ca 0.03 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.59 2pyu h ALA 54 Cb 0.99 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2pyu h ALA 54 CO 0.09 0.26 0.54 -0.09 0.00 0.00 0.00 179.25 180.05 2pyu h ARG 55 N 0.16 1.04 0.22 0.00 2.43 -0.91 -1.00 114.38 116.32 2pyu h ARG 55 Ca 0.02 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2pyu h ARG 55 Cb 0.81 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2pyu h ARG 55 CO 0.06 0.69 -0.11 1.25 -1.51 0.00 0.00 179.97 180.35 2pyu h HIS 56 N 1.07 -0.27 -0.68 2.20 2.76 -1.36 0.13 115.15 118.99 2pyu h HIS 56 Ca 0.32 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.55 2pyu h HIS 56 Cb -0.03 0.09 -0.06 0.00 1.55 0.00 0.00 27.41 28.96 2pyu h HIS 56 CO -0.02 -0.07 0.38 0.00 -1.30 0.00 0.00 177.93 176.92 2pyu h ALA 57 N 0.32 0.91 -0.59 5.26 0.00 -1.29 -1.51 119.26 122.37 2pyu h ALA 57 Ca -0.03 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2pyu h ALA 57 Cb 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2pyu h ALA 57 CO 0.05 0.05 0.04 0.00 0.00 0.00 0.00 179.25 179.40 2pyu h ALA 58 N 1.36 0.96 -0.34 0.00 0.00 -0.97 -2.09 119.26 118.18 2pyu h ALA 58 Ca 0.31 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 2pyu h ALA 58 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2pyu h ALA 58 CO -0.19 0.64 -0.35 -0.22 0.00 0.00 0.00 179.25 179.13 2pyu h LYS 59 N 0.92 0.76 0.00 0.00 1.63 -0.28 0.18 116.57 119.77 2pyu h LYS 59 Ca 0.18 -0.37 -0.13 0.00 -0.85 0.00 0.00 60.65 59.47 2pyu h LYS 59 Cb 0.48 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 2pyu h LYS 59 CO 0.02 0.99 -0.66 0.28 -3.45 0.00 0.00 179.45 176.63 2pyu h VAL 60 N 0.63 1.07 0.00 2.00 2.07 -1.24 -3.33 116.25 117.46 2pyu h VAL 60 Ca 0.06 -2.52 -0.05 0.00 0.82 0.00 0.00 66.70 65.01 2pyu h VAL 60 Cb 0.89 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 2pyu h VAL 60 CO 0.08 0.61 -1.90 0.35 0.02 0.00 0.00 177.57 176.73 2pyu n THR 61 N -3.25 0.20 -2.01 2.57 -2.24 -0.79 -4.99 114.28 103.76 2pyu n THR 61 Ca 0.01 -0.47 -0.17 0.00 -2.27 0.00 0.00 64.05 61.14 2pyu n THR 61 Cb 0.79 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 2pyu n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pyu n ALA 62 N -2.22 -0.42 -2.70 6.98 0.00 0.62 -5.01 120.51 117.76 2pyu n ALA 62 Ca -0.07 0.19 -0.24 0.00 0.00 0.00 0.00 53.44 53.32 2pyu n ALA 62 Cb 0.58 -1.87 -0.07 0.00 0.00 0.00 0.00 19.45 18.09 2pyu n ALA 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pyu s LEU 63 N -4.60 3.41 0.74 0.00 1.43 -1.22 -5.06 118.68 113.37 2pyu s LEU 63 Ca 0.00 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 52.49 2pyu s LEU 63 Cb 0.00 -1.97 0.05 0.00 0.03 0.00 0.00 46.19 44.30 2pyu s LEU 63 CO 0.00 0.02 1.21 -2.84 0.23 0.00 0.00 176.35 174.97 2pyu s PRO 64 N -3.50 2.07 -0.02 1.29 0.02 -1.25 -4.27 135.00 129.34 2pyu s PRO 64 Ca 0.31 1.77 -0.01 0.00 0.02 0.00 0.00 61.00 63.08 2pyu s PRO 64 Cb -0.08 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.63 2pyu s PRO 64 CO 0.21 -1.89 0.04 0.00 -0.33 0.00 0.00 177.00 175.02 2pyu s ALA 65 N -1.99 -0.08 -0.09 -1.55 0.00 -0.11 -1.86 121.76 116.08 2pyu s ALA 65 Ca 0.74 0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.82 2pyu s ALA 65 Cb -0.29 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 2pyu s ALA 65 CO 0.46 -0.03 -0.05 0.42 0.00 0.00 0.00 175.76 176.57 2pyu s ILE 66 N 0.11 3.88 0.09 0.00 1.01 -0.51 -0.55 121.20 125.24 2pyu s ILE 66 Ca -0.01 -0.40 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 2pyu s ILE 66 Cb -0.01 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 2pyu s ILE 66 CO -0.00 0.57 -0.01 0.00 0.00 0.00 0.00 174.94 175.50 2pyu s ALA 67 N -0.52 0.78 0.23 9.38 0.00 -0.63 -0.15 121.76 130.85 2pyu s ALA 67 Ca 0.08 -1.34 0.07 0.00 0.00 0.00 0.00 51.96 50.77 2pyu s ALA 67 Cb -0.12 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.38 2pyu s ALA 67 CO 0.02 -0.37 -0.12 0.16 0.00 0.00 0.00 175.76 175.46 2pyu s ASP 68 N -3.00 2.64 -0.07 0.00 1.47 -1.26 -0.31 116.67 116.14 2pyu s ASP 68 Ca 0.14 -1.07 -0.05 0.00 1.18 0.00 0.00 52.55 52.75 2pyu s ASP 68 Cb 0.07 -0.15 0.03 0.00 -0.34 0.00 0.00 42.92 42.53 2pyu s ASP 68 CO -0.05 -0.22 0.18 0.00 0.68 0.00 0.00 175.17 175.76 2pyu s ALA 69 N -2.98 -0.41 0.07 2.11 0.00 0.19 -4.53 121.76 116.21 2pyu s ALA 69 Ca 0.25 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 52.80 2pyu s ALA 69 Cb 0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 2pyu s ALA 69 CO 0.09 -0.12 0.03 -1.12 0.00 0.00 0.00 175.76 174.64 2pyu s SER 70 N 0.55 0.39 0.00 0.00 0.01 -1.26 -0.15 113.70 113.24 2pyu s SER 70 Ca -0.04 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.26 2pyu s SER 70 Cb -0.05 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.42 2pyu s SER 70 CO -0.03 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.59 2pyu n GLY 71 N 0.04 -1.52 3.45 3.44 0.00 -0.84 -4.90 105.19 104.86 2pyu n GLY 71 Ca -0.13 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 2pyu n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pyu s LEU 72 N 0.00 2.92 -0.17 0.99 2.96 -1.26 -0.67 118.68 123.45 2pyu s LEU 72 Ca 0.00 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 2pyu s LEU 72 Cb 0.00 -1.65 0.03 0.00 0.50 0.00 0.00 46.19 45.07 2pyu s LEU 72 CO 0.00 0.23 -0.12 0.00 -1.32 0.00 0.00 176.35 175.14 2pyu s ALA 73 N -0.02 1.90 -0.25 5.97 0.00 -0.18 -0.42 121.76 128.76 2pyu s ALA 73 Ca -0.02 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 2pyu s ALA 73 Cb -0.14 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 2pyu s ALA 73 CO 0.04 -0.61 0.19 0.08 0.00 0.00 0.00 175.76 175.45 2pyu s VAL 74 N 1.45 5.33 0.12 0.00 1.01 0.72 -1.81 120.40 127.23 2pyu s VAL 74 Ca 0.02 0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.96 2pyu s VAL 74 Cb -0.15 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 2pyu s VAL 74 CO -0.09 0.31 1.65 0.44 0.00 0.00 0.00 175.10 177.41 2pyu h ASP 75 N 7.77 -0.63 0.06 3.32 5.19 -1.76 -0.53 116.42 129.84 2pyu h ASP 75 Ca -0.37 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 2pyu h ASP 75 Cb 1.17 0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.94 2pyu h ASP 75 CO 0.63 -0.28 0.00 1.62 -3.12 0.00 0.00 179.24 178.09 2pyu h VAL 76 N -0.34 0.00 -0.54 -1.35 3.04 -1.79 -1.52 116.25 113.75 2pyu h VAL 76 Ca 0.06 -0.03 -0.03 0.00 -1.01 0.00 0.00 66.70 65.69 2pyu h VAL 76 Cb 0.42 0.96 -0.02 0.00 -2.01 0.00 0.00 31.29 30.64 2pyu h VAL 76 CO -0.20 0.00 0.03 0.18 -1.01 0.00 0.00 177.57 176.58 2pyu n LEU 77 N -2.96 5.45 -1.91 3.16 4.77 -0.61 -4.92 117.00 119.97 2pyu n LEU 77 Ca -0.03 -3.00 -0.21 0.00 -0.03 0.00 0.00 56.01 52.75 2pyu n LEU 77 Cb 0.08 -0.67 -0.05 0.00 -2.33 0.00 0.00 43.42 40.45 2pyu n LEU 77 CO 0.19 0.67 -0.23 0.61 -1.33 0.00 0.00 177.39 177.30 2pyu n GLY 78 N 0.30 0.89 0.00 -0.72 0.00 -0.57 -2.54 105.19 102.54 2pyu n GLY 78 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2pyu n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pyu n GLY 79 N -0.70 0.42 3.75 -0.02 0.00 -0.31 -4.97 105.19 103.36 2pyu n GLY 79 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 2pyu n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pyu s ALA 80 N -2.00 2.22 0.47 4.61 0.00 -1.05 -2.28 121.76 123.72 2pyu s ALA 80 Ca 0.00 0.54 0.18 0.00 0.00 0.00 0.00 51.96 52.68 2pyu s ALA 80 Cb 0.00 -3.35 1.20 0.00 0.00 0.00 0.00 23.12 20.97 2pyu s ALA 80 CO 0.00 -1.72 2.06 -1.35 0.00 0.00 0.00 175.76 174.75 2pyu h PRO 81 N -0.60 0.00 0.00 0.00 0.11 -1.90 0.21 132.00 129.82 2pyu h PRO 81 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2pyu h PRO 81 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2pyu h PRO 81 CO 0.51 0.12 0.00 0.41 -0.21 0.00 0.00 178.00 178.83 2pyu n GLY 82 N -1.11 2.45 0.00 -0.55 0.00 0.44 -1.31 105.19 105.12 2pyu n GLY 82 Ca -0.03 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.64 2pyu n GLY 82 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2pyu n ILE 83 N 0.00 1.42 -0.28 -0.61 -6.64 -1.26 -1.63 119.36 110.36 2pyu n ILE 83 Ca 0.00 0.36 0.09 0.00 -1.77 0.00 0.00 62.75 61.43 2pyu n ILE 83 Cb 0.00 -1.23 0.31 0.00 -1.44 0.00 0.00 39.64 37.28 2pyu n ILE 83 CO 0.00 0.00 0.00 -1.22 -1.77 0.00 0.00 176.55 173.56 2pyu n TYR 84 N -1.47 1.20 -0.18 4.28 4.01 -0.43 -4.64 117.16 119.93 2pyu n TYR 84 Ca 0.02 -0.51 -0.02 0.00 -0.16 0.00 0.00 57.90 57.23 2pyu n TYR 84 Cb 0.08 -0.16 0.04 0.00 -0.31 0.00 0.00 39.34 39.00 2pyu n TYR 84 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2pyu h SER 85 N 3.73 -0.59 1.14 7.72 0.02 -1.37 0.75 113.55 124.95 2pyu h SER 85 Ca 0.00 0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 2pyu h SER 85 Cb 1.19 0.37 -0.01 0.00 0.14 0.00 0.00 62.40 64.10 2pyu h SER 85 CO 0.15 -0.20 -0.18 0.00 -1.14 0.00 0.00 176.83 175.46 2pyu h ALA 86 N 1.49 0.98 0.00 3.77 0.00 -1.86 -3.21 119.26 120.43 2pyu h ALA 86 Ca 0.27 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2pyu h ALA 86 Cb 0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2pyu h ALA 86 CO -0.59 0.22 -0.12 2.89 0.00 0.00 0.00 179.25 181.66 2pyu n ARG 87 N -3.27 1.18 -0.24 0.00 1.85 -0.79 -4.77 116.66 110.63 2pyu n ARG 87 Ca 0.01 -2.52 0.03 0.00 -1.00 0.00 0.00 57.85 54.37 2pyu n ARG 87 Cb 0.45 -1.40 0.27 0.00 -1.05 0.00 0.00 32.46 30.72 2pyu n ARG 87 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 2pyu h TYR 88 N 0.14 0.94 -0.58 2.89 3.20 -0.88 0.57 116.97 123.23 2pyu h TYR 88 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2pyu h TYR 88 Cb 1.05 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.01 2pyu h TYR 88 CO 0.10 0.54 0.00 -1.13 -1.64 0.00 0.00 178.16 176.03 2pyu n SER 89 N -4.45 5.25 0.00 -2.11 3.41 -1.26 -5.03 113.62 109.42 2pyu n SER 89 Ca 0.10 -2.73 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 2pyu n SER 89 Cb 0.13 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 2pyu n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pyu n GLY 90 N 0.79 -0.40 3.76 5.00 0.00 0.19 -4.62 105.19 109.91 2pyu n GLY 90 Ca 0.26 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 2pyu n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pyu s GLU 91 N 0.00 4.55 -1.37 1.61 2.12 -1.26 -2.07 118.70 122.28 2pyu s GLU 91 Ca 0.00 1.91 0.00 0.00 0.36 0.00 0.00 54.97 57.24 2pyu s GLU 91 Cb 0.00 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.22 2pyu s GLU 91 CO 0.00 0.08 0.00 -0.25 -0.54 0.00 0.00 175.26 174.55 2pyu n ASP 92 N 1.27 -4.58 -4.76 -1.70 8.00 -1.26 -4.97 116.55 108.55 2pyu n ASP 92 Ca -0.00 0.13 -0.39 0.00 0.71 0.00 0.00 54.79 55.24 2pyu n ASP 92 Cb 0.44 -3.59 0.03 0.00 -0.02 0.00 0.00 41.12 37.98 2pyu n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pyu s ALA 93 N -2.66 3.10 0.25 2.24 0.00 -0.88 -5.03 121.76 118.78 2pyu s ALA 93 Ca 0.00 1.44 0.04 0.00 0.00 0.00 0.00 51.96 53.44 2pyu s ALA 93 Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 2pyu s ALA 93 CO 0.00 -1.28 -0.01 0.95 0.00 0.00 0.00 175.76 175.42 2pyu s THR 94 N -1.23 1.17 0.22 0.00 -4.23 -1.26 -5.01 115.64 105.30 2pyu s THR 94 Ca 0.65 -2.05 -0.12 0.00 -1.18 0.00 0.00 61.69 58.99 2pyu s THR 94 Cb -0.43 -2.39 0.26 0.00 1.34 0.00 0.00 72.50 71.28 2pyu s THR 94 CO 0.54 -0.30 1.63 0.44 -0.54 0.00 0.00 174.62 176.38 2pyu h ASP 95 N 2.41 -0.54 -0.35 3.99 3.32 -1.91 0.18 116.42 123.52 2pyu h ASP 95 Ca -0.39 0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 2pyu h ASP 95 Cb 1.23 0.39 -0.01 0.00 0.22 0.00 0.00 39.33 41.15 2pyu h ASP 95 CO 0.65 -0.20 0.04 -0.61 -1.72 0.00 0.00 179.24 177.40 2pyu h GLN 96 N 0.03 0.59 -0.35 3.56 5.75 -1.97 0.10 115.11 122.83 2pyu h GLN 96 Ca 0.34 -0.17 -0.13 0.00 -0.15 0.00 0.00 58.65 58.54 2pyu h GLN 96 Cb 0.54 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 2pyu h GLN 96 CO -0.67 0.68 -0.32 0.87 -2.65 0.00 0.00 178.83 176.73 2pyu h LYS 97 N 0.42 0.77 0.16 1.69 1.57 -1.84 0.73 116.57 120.07 2pyu h LYS 97 Ca 0.10 -0.36 0.02 0.00 -1.87 0.00 0.00 60.65 58.54 2pyu h LYS 97 Cb 0.38 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 2pyu h LYS 97 CO 0.01 0.98 -0.36 -0.91 -0.57 0.00 0.00 179.45 178.61 2pyu h ASN 98 N 0.65 -1.03 -0.71 0.86 2.35 -0.62 -0.76 115.58 116.32 2pyu h ASN 98 Ca 0.07 0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.95 2pyu h ASN 98 Cb 0.86 0.38 -0.04 0.00 0.05 0.00 0.00 38.32 39.57 2pyu h ASN 98 CO 0.08 -0.45 0.46 0.17 -1.65 0.00 0.00 177.43 176.04 2pyu h LEU 99 N -0.61 0.79 -0.92 1.61 8.10 -0.69 -1.73 115.31 121.85 2pyu h LEU 99 Ca 0.02 -0.01 -0.02 0.00 0.11 0.00 0.00 57.88 57.98 2pyu h LEU 99 Cb 0.63 -0.19 -0.04 0.00 -0.44 0.00 0.00 40.66 40.62 2pyu h LEU 99 CO -0.19 0.56 0.49 1.56 -4.11 0.00 0.00 178.44 176.76 2pyu h GLN 100 N 0.93 1.25 -0.48 0.17 1.08 -0.74 -1.16 115.11 116.16 2pyu h GLN 100 Ca 0.27 -0.15 -0.05 0.00 -1.45 0.00 0.00 58.65 57.27 2pyu h GLN 100 Cb -0.06 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.10 2pyu h GLN 100 CO -0.08 0.91 0.07 -0.22 -0.95 0.00 0.00 178.83 178.57 2pyu h LYS 101 N 1.25 0.74 -0.27 1.46 3.64 -0.44 -1.99 116.57 120.97 2pyu h LYS 101 Ca 0.32 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2pyu h LYS 101 Cb 0.03 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2pyu h LYS 101 CO -0.05 0.71 0.07 1.25 -2.27 0.00 0.00 179.45 179.15 2pyu h LEU 102 N 0.71 0.41 -0.48 5.20 5.85 -0.46 0.13 115.31 126.68 2pyu h LEU 102 Ca 0.15 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.71 2pyu h LEU 102 Cb 0.33 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 2pyu h LEU 102 CO 0.01 0.53 0.15 -0.07 -0.34 0.00 0.00 178.44 178.72 2pyu h LEU 103 N 0.27 0.13 -0.23 2.25 3.38 -1.11 -0.31 115.31 119.69 2pyu h LEU 103 Ca 0.09 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2pyu h LEU 103 Cb 0.28 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2pyu h LEU 103 CO 0.00 0.11 0.14 -0.08 0.09 0.00 0.00 178.44 178.70 2pyu h GLU 104 N 0.32 0.31 -0.47 1.13 4.57 -1.09 -0.82 114.58 118.53 2pyu h GLU 104 Ca 0.23 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.44 2pyu h GLU 104 Cb 0.25 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 2pyu h GLU 104 CO -0.25 0.24 0.31 1.15 -1.18 0.00 0.00 179.01 179.28 2pyu h THR 105 N 0.29 0.97 -0.56 0.32 2.02 -0.40 -2.91 112.91 112.64 2pyu h THR 105 Ca 0.08 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2pyu h THR 105 Cb 0.00 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2pyu h THR 105 CO -0.02 0.07 0.00 0.23 0.37 0.00 0.00 175.52 176.18 2pyu n MET 106 N -4.47 2.62 0.21 6.66 2.81 -0.16 -4.64 117.12 120.15 2pyu n MET 106 Ca 0.06 -2.43 0.06 0.00 -1.81 0.00 0.00 57.70 53.59 2pyu n MET 106 Cb 0.24 -1.50 0.57 0.00 -0.71 0.00 0.00 33.22 31.82 2pyu n MET 106 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2pyu h LYS 107 N 3.96 0.08 -0.61 0.03 2.10 -0.95 -0.42 116.57 120.76 2pyu h LYS 107 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2pyu h LYS 107 Cb 0.94 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2pyu h LYS 107 CO 0.00 0.11 0.00 -0.25 -2.00 0.00 0.00 179.45 177.31 2pyu n ASP 108 N -4.46 5.38 -4.68 7.07 8.00 -1.26 -4.92 116.55 121.68 2pyu n ASP 108 Ca -0.02 -2.79 -0.42 0.00 0.71 0.00 0.00 54.79 52.27 2pyu n ASP 108 Cb 0.13 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.55 2pyu n ASP 108 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pyu s VAL 109 N -2.49 4.78 0.56 2.53 1.01 -0.17 -5.00 120.40 121.61 2pyu s VAL 109 Ca 0.52 1.95 -0.18 0.00 0.00 0.00 0.00 61.98 64.27 2pyu s VAL 109 Cb 0.38 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 2pyu s VAL 109 CO 0.18 -0.03 0.49 -2.65 0.00 0.00 0.00 175.10 173.09 2pyu n PRO 110 N 5.36 0.49 -0.02 2.72 -0.02 -1.26 -4.86 135.00 137.41 2pyu n PRO 110 Ca 0.08 0.19 0.17 0.00 -2.02 0.00 0.00 63.50 61.93 2pyu n PRO 110 Cb 0.48 -1.65 0.63 0.00 -0.02 0.00 0.00 33.50 32.94 2pyu n PRO 110 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2pyu h ASP 111 N 0.26 0.12 -0.34 2.55 5.19 -1.98 -0.87 116.42 121.35 2pyu h ASP 111 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2pyu h ASP 111 Cb 1.40 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.89 2pyu h ASP 111 CO 0.47 0.07 0.00 -0.90 -3.12 0.00 0.00 179.24 175.75 2pyu n ASP 112 N -4.42 2.55 -0.61 6.45 5.75 -1.26 -4.12 116.55 120.89 2pyu n ASP 112 Ca 0.09 -1.89 0.06 0.00 -0.01 0.00 0.00 54.79 53.05 2pyu n ASP 112 Cb 0.52 -0.22 0.20 0.00 -1.03 0.00 0.00 41.12 40.59 2pyu n ASP 112 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pyu n GLN 113 N 0.90 1.93 -0.98 0.11 6.02 -0.33 -4.76 117.38 120.26 2pyu n GLN 113 Ca 0.17 -2.88 -0.03 0.00 -0.01 0.00 0.00 57.00 54.25 2pyu n GLN 113 Cb 0.45 -1.68 0.33 0.00 1.02 0.00 0.00 30.24 30.35 2pyu n GLN 113 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2pyu n ARG 114 N -1.05 3.95 -1.71 -1.09 1.74 -1.25 -4.47 116.66 112.78 2pyu n ARG 114 Ca 0.21 -3.11 -0.40 0.00 -0.77 0.00 0.00 57.85 53.78 2pyu n ARG 114 Cb 0.80 -2.22 0.02 0.00 -1.02 0.00 0.00 32.46 30.05 2pyu n ARG 114 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2pyu n GLN 115 N -0.01 1.80 -3.54 5.56 3.00 -1.26 -1.21 117.38 121.71 2pyu n GLN 115 Ca 0.38 0.65 -0.11 0.00 -0.01 0.00 0.00 57.00 57.90 2pyu n GLN 115 Cb 1.34 -2.42 -0.03 0.00 0.00 0.00 0.00 30.24 29.12 2pyu n GLN 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2pyu s ALA 116 N -1.25 -1.22 0.04 -1.58 0.00 -0.80 -2.27 121.76 114.68 2pyu s ALA 116 Ca 0.65 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.83 2pyu s ALA 116 Cb -0.47 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 2pyu s ALA 116 CO 0.55 -0.70 -0.11 1.03 0.00 0.00 0.00 175.76 176.54 2pyu s ARG 117 N -3.76 0.70 0.21 0.00 0.52 -0.75 -0.77 118.95 115.10 2pyu s ARG 117 Ca 0.02 -0.72 -0.18 0.00 -0.52 0.00 0.00 55.73 54.33 2pyu s ARG 117 Cb 0.01 -0.62 -0.08 0.00 0.52 0.00 0.00 34.95 34.77 2pyu s ARG 117 CO -0.12 0.14 0.69 -0.06 0.02 0.00 0.00 175.30 175.97 2pyu s PHE 118 N -1.02 3.62 0.01 -0.53 0.08 -0.51 -1.01 117.98 118.62 2pyu s PHE 118 Ca -0.03 1.30 0.07 0.00 0.12 0.00 0.00 56.93 58.39 2pyu s PHE 118 Cb -0.08 -2.56 -0.02 0.00 -0.57 0.00 0.00 43.02 39.79 2pyu s PHE 118 CO 0.01 0.34 -0.21 -1.01 -0.10 0.00 0.00 175.22 174.24 2pyu s HIS 119 N -1.55 1.88 -0.12 0.36 3.76 0.16 -0.91 115.29 118.87 2pyu s HIS 119 Ca 0.43 -0.36 -0.01 0.00 -0.15 0.00 0.00 55.06 54.97 2pyu s HIS 119 Cb -0.16 -1.18 0.03 0.00 1.11 0.00 0.00 32.58 32.39 2pyu s HIS 119 CO 0.20 0.02 -0.05 0.00 -0.85 0.00 0.00 174.74 174.06 2pyu s VAL 121 N 1.73 3.91 -0.10 0.00 1.01 0.79 -0.64 120.40 127.10 2pyu s VAL 121 Ca 0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 2pyu s VAL 121 Cb -0.13 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 2pyu s VAL 121 CO -0.08 0.39 0.06 -0.76 0.00 0.00 0.00 175.10 174.71 2pyu s LEU 122 N 1.44 3.90 0.07 3.92 1.43 0.25 -0.64 118.68 129.04 2pyu s LEU 122 Ca 0.05 0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.46 2pyu s LEU 122 Cb -0.15 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 2pyu s LEU 122 CO 0.01 0.38 -0.12 0.68 0.23 0.00 0.00 176.35 177.53 2pyu s VAL 123 N -0.87 0.92 -0.15 -1.59 -7.23 0.58 -0.03 120.40 112.03 2pyu s VAL 123 Ca 0.13 -1.28 -0.01 0.00 -1.81 0.00 0.00 61.98 59.01 2pyu s VAL 123 Cb -0.12 -0.97 0.04 0.00 0.56 0.00 0.00 36.38 35.90 2pyu s VAL 123 CO 0.03 -0.32 -0.01 -0.47 -0.31 0.00 0.00 175.10 174.02 2pyu s TYR 124 N -1.46 1.23 -0.17 2.82 6.14 0.55 -1.61 117.35 124.85 2pyu s TYR 124 Ca -0.03 -0.78 -0.07 0.00 0.64 0.00 0.00 57.07 56.83 2pyu s TYR 124 Cb -0.09 -1.09 -0.04 0.00 0.42 0.00 0.00 41.96 41.16 2pyu s TYR 124 CO 0.01 -0.54 0.05 -0.51 0.64 0.00 0.00 175.55 175.21 2pyu s LEU 125 N 1.79 3.79 0.34 6.97 1.43 0.29 -1.81 118.68 131.47 2pyu s LEU 125 Ca 0.01 0.09 0.14 0.00 -1.03 0.00 0.00 54.13 53.34 2pyu s LEU 125 Cb -0.15 -1.95 0.58 0.00 0.03 0.00 0.00 46.19 44.71 2pyu s LEU 125 CO -0.07 0.20 1.72 0.03 0.23 0.00 0.00 176.35 178.46 2pyu h ARG 126 N 6.49 0.00 -2.20 1.70 3.08 -1.90 -0.25 114.38 121.30 2pyu h ARG 126 Ca -0.38 0.00 0.20 0.00 0.07 0.00 0.00 59.98 59.86 2pyu h ARG 126 Cb 1.17 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.13 2pyu h ARG 126 CO 0.68 0.47 0.54 -3.38 -1.07 0.00 0.00 179.97 177.21 2pyu s HIS 127 N -3.81 -0.13 0.53 3.04 -3.43 -1.26 -3.78 115.29 106.44 2pyu s HIS 127 Ca -0.02 -0.13 0.23 0.00 -0.80 0.00 0.00 55.06 54.35 2pyu s HIS 127 Cb 0.13 0.62 1.37 0.00 -1.43 0.00 0.00 32.58 33.26 2pyu s HIS 127 CO 0.73 -0.72 2.03 0.00 -2.00 0.00 0.00 174.74 174.77 2pyu h ALA 128 N 2.00 2.40 -0.34 -1.38 0.00 -1.84 -0.46 119.26 119.63 2pyu h ALA 128 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2pyu h ALA 128 Cb 1.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2pyu h ALA 128 CO 0.26 -0.52 0.00 0.39 0.00 0.00 0.00 179.25 179.39 2pyu n GLU 129 N -4.41 3.17 -1.81 0.00 1.02 -1.26 -4.88 120.64 112.46 2pyu n GLU 129 Ca 0.07 -2.72 -0.42 0.00 -0.02 0.00 0.00 57.16 54.07 2pyu n GLU 129 Cb 0.50 -1.77 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 2pyu n GLU 129 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2pyu s ASP 130 N -1.56 6.53 0.00 1.62 2.15 -0.19 -4.88 116.67 120.34 2pyu s ASP 130 Ca 0.40 2.54 0.29 0.00 0.43 0.00 0.00 52.55 56.22 2pyu s ASP 130 Cb 0.30 -2.54 1.27 0.00 -0.30 0.00 0.00 42.92 41.65 2pyu s ASP 130 CO 0.12 -0.98 1.92 -0.81 -0.17 0.00 0.00 175.17 175.26 2pyu n PRO 131 N 6.72 0.21 -3.10 4.34 -0.04 -1.26 -4.33 135.00 137.53 2pyu n PRO 131 Ca 0.18 -0.02 -0.20 0.00 -0.04 0.00 0.00 63.50 63.41 2pyu n PRO 131 Cb 0.41 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 2pyu n PRO 131 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2pyu n THR 132 N -1.38 0.75 -1.65 0.52 -2.24 -1.26 -5.11 114.28 103.92 2pyu n THR 132 Ca 0.10 -4.82 -0.38 0.00 -2.27 0.00 0.00 64.05 56.68 2pyu n THR 132 Cb 0.30 -0.55 0.05 0.00 -2.10 0.00 0.00 70.33 68.03 2pyu n THR 132 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2pyu n PRO 133 N 0.12 1.10 -2.26 -0.78 -0.04 -1.26 -4.95 135.00 126.93 2pyu n PRO 133 Ca 0.26 0.42 -0.39 0.00 -0.04 0.00 0.00 63.50 63.75 2pyu n PRO 133 Cb 0.59 -2.26 -0.02 0.00 -0.04 0.00 0.00 33.50 31.77 2pyu n PRO 133 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2pyu s LEU 134 N -2.32 4.31 -0.03 1.53 2.96 -0.75 -4.87 118.68 119.49 2pyu s LEU 134 Ca 0.74 2.44 -0.01 0.00 -0.22 0.00 0.00 54.13 57.09 2pyu s LEU 134 Cb -0.43 -3.86 0.03 0.00 0.50 0.00 0.00 46.19 42.43 2pyu s LEU 134 CO 0.48 -0.57 0.03 -0.69 -1.32 0.00 0.00 176.35 174.27 2pyu s VAL 135 N -1.30 0.02 -0.14 1.68 1.01 -1.26 -0.33 120.40 120.09 2pyu s VAL 135 Ca 0.53 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.77 2pyu s VAL 135 Cb -0.34 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 35.87 2pyu s VAL 135 CO 0.43 0.15 -0.12 0.00 0.00 0.00 0.00 175.10 175.56 2pyu s HIS 137 N 1.51 2.93 0.15 0.00 2.46 -1.26 -0.59 115.29 120.50 2pyu s HIS 137 Ca 0.04 -2.10 0.04 0.00 0.47 0.00 0.00 55.06 53.52 2pyu s HIS 137 Cb -0.13 -1.79 -0.04 0.00 -0.13 0.00 0.00 32.58 30.49 2pyu s HIS 137 CO -0.09 -0.84 0.17 0.20 -2.47 0.00 0.00 174.74 171.71 2pyu s GLY 138 N 1.22 1.74 0.09 1.59 0.00 0.19 -4.80 107.32 107.34 2pyu s GLY 138 Ca -0.08 -1.15 -0.07 0.00 0.00 0.00 0.00 44.72 43.43 2pyu s GLY 138 CO -0.06 -1.16 0.15 -1.35 0.00 0.00 0.00 173.10 170.68 2pyu s SER 139 N -3.09 0.20 -0.21 1.64 1.04 -1.26 -1.19 113.70 110.83 2pyu s SER 139 Ca 0.32 -0.79 -0.04 0.00 0.48 0.00 0.00 55.95 55.92 2pyu s SER 139 Cb -0.10 0.32 0.11 0.00 0.10 0.00 0.00 66.02 66.44 2pyu s SER 139 CO 0.25 -0.72 0.29 0.86 0.98 0.00 0.00 173.24 174.90 2pyu s TRP 140 N -3.90 -0.52 0.43 5.02 -0.00 -0.08 -4.40 118.94 115.49 2pyu s TRP 140 Ca 0.08 0.57 -0.14 0.00 -0.00 0.00 0.00 56.10 56.61 2pyu s TRP 140 Cb 0.06 -0.16 -0.08 0.00 -0.00 0.00 0.00 33.47 33.29 2pyu s TRP 140 CO -0.09 -0.62 0.86 -2.14 -0.00 0.00 0.00 176.95 174.96 2pyu s PRO 141 N 2.43 3.91 0.00 5.86 0.02 -1.26 -1.43 135.00 144.53 2pyu s PRO 141 Ca 0.08 0.73 0.00 0.00 0.02 0.00 0.00 61.00 61.83 2pyu s PRO 141 Cb -0.15 -2.29 0.00 0.00 0.02 0.00 0.00 34.50 32.08 2pyu s PRO 141 CO -0.13 -0.09 0.00 0.41 -0.33 0.00 0.00 177.00 176.86 2pyu n GLY 142 N -1.21 1.43 2.93 0.52 0.00 0.05 -4.83 105.19 104.08 2pyu n GLY 142 Ca 0.04 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 2pyu n GLY 142 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pyu s VAL 143 N -2.58 0.21 -0.13 1.61 1.01 0.50 -1.91 120.40 119.11 2pyu s VAL 143 Ca 0.00 -0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.46 2pyu s VAL 143 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 2pyu s VAL 143 CO 0.00 -0.03 0.85 -0.63 0.00 0.00 0.00 175.10 175.28 2pyu s ILE 144 N -0.30 4.89 0.97 2.22 -1.09 -0.35 0.06 121.20 127.61 2pyu s ILE 144 Ca -0.02 1.70 -0.16 0.00 -2.23 0.00 0.00 60.65 59.94 2pyu s ILE 144 Cb -0.03 -4.16 0.24 0.00 -1.58 0.00 0.00 42.46 36.93 2pyu s ILE 144 CO -0.00 0.07 0.86 0.35 -1.23 0.00 0.00 174.94 174.99 2pyu n THR 145 N 4.47 0.00 0.31 2.92 -2.24 0.00 -4.92 114.28 114.82 2pyu n THR 145 Ca 0.04 -0.37 0.06 0.00 -2.27 0.00 0.00 64.05 61.52 2pyu n THR 145 Cb 0.49 -1.17 -0.09 0.00 -2.10 0.00 0.00 70.33 67.46 2pyu n THR 145 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2pyu n ARG 146 N -4.15 1.64 -3.99 -0.78 1.74 -1.26 -4.95 116.66 104.91 2pyu n ARG 146 Ca 0.12 -0.06 -0.09 0.00 -0.77 0.00 0.00 57.85 57.05 2pyu n ARG 146 Cb 0.46 -1.20 -0.10 0.00 -1.02 0.00 0.00 32.46 30.60 2pyu n ARG 146 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2pyu s GLU 147 N -2.54 0.47 0.44 5.56 2.02 -1.26 -5.03 118.70 118.36 2pyu s GLU 147 Ca 0.00 -0.79 -0.24 0.00 0.02 0.00 0.00 54.97 53.96 2pyu s GLU 147 Cb 0.09 0.17 -0.08 0.00 0.10 0.00 0.00 34.13 34.42 2pyu s GLU 147 CO 0.53 -0.10 1.23 -1.25 0.02 0.00 0.00 175.26 175.70 2pyu s PRO 148 N -2.40 3.81 -0.07 0.39 0.04 -1.26 -4.80 135.00 130.71 2pyu s PRO 148 Ca -0.07 1.96 -0.03 0.00 0.04 0.00 0.00 61.00 62.90 2pyu s PRO 148 Cb -0.03 -2.55 0.04 0.00 0.04 0.00 0.00 34.50 32.00 2pyu s PRO 148 CO -0.04 -0.56 0.14 0.00 0.04 0.00 0.00 177.00 176.58 2pyu s ALA 149 N -1.40 -0.17 0.00 8.56 0.00 -0.70 -5.04 121.76 123.02 2pyu s ALA 149 Ca 0.61 0.57 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2pyu s ALA 149 Cb -0.33 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.16 2pyu s ALA 149 CO 0.41 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.21 2pyu n GLY 150 N 4.81 2.19 0.00 0.00 0.00 -1.26 -4.39 105.19 106.53 2pyu n GLY 150 Ca -0.15 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.96 2pyu n GLY 150 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pyu n THR 151 N 1.91 0.07 -1.30 2.61 -2.24 -1.15 -4.77 114.28 109.41 2pyu n THR 151 Ca 0.00 -0.19 -0.30 0.00 -2.27 0.00 0.00 64.05 61.30 2pyu n THR 151 Cb 0.00 1.50 0.21 0.00 -2.10 0.00 0.00 70.33 69.94 2pyu n THR 151 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2pyu s GLY 152 N -0.07 1.61 0.00 3.38 0.00 -0.05 -4.90 107.32 107.30 2pyu s GLY 152 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.86 2pyu s GLY 152 CO 0.00 -0.08 0.00 0.61 0.00 0.00 0.00 173.10 173.63 2pyu n GLY 153 N -1.62 2.05 3.83 0.20 0.00 -1.26 -4.48 105.19 103.90 2pyu n GLY 153 Ca 0.12 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.62 2pyu n GLY 153 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pyu s PHE 154 N 0.00 -0.17 0.00 1.61 -0.71 -1.26 -5.05 117.98 112.40 2pyu s PHE 154 Ca 0.00 -0.24 0.00 0.00 -1.04 0.00 0.00 56.93 55.65 2pyu s PHE 154 Cb 0.00 0.69 0.00 0.00 -1.21 0.00 0.00 43.02 42.50 2pyu s PHE 154 CO 0.00 -1.10 0.00 0.41 -1.34 0.00 0.00 175.22 173.19 2pyu n GLY 155 N -0.46 2.81 0.41 1.99 0.00 -1.26 -2.22 105.19 106.45 2pyu n GLY 155 Ca -0.05 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.73 2pyu n GLY 155 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pyu n TYR 156 N 13.59 0.28 -0.26 1.61 4.01 -1.26 -4.40 117.16 130.71 2pyu n TYR 156 Ca 0.00 -0.14 0.06 0.00 -0.16 0.00 0.00 57.90 57.67 2pyu n TYR 156 Cb 0.00 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.23 2pyu n TYR 156 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2pyu h ASP 157 N 1.33 0.27 0.22 7.72 3.32 -1.81 0.51 116.42 127.98 2pyu h ASP 157 Ca 0.00 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2pyu h ASP 157 Cb 0.30 0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2pyu h ASP 157 CO 0.00 0.08 0.00 -0.65 -1.72 0.00 0.00 179.24 176.95 2pyu h PRO 158 N 0.43 0.00 -0.20 3.56 0.11 -1.78 -2.29 132.00 131.83 2pyu h PRO 158 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 2pyu h PRO 158 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2pyu h PRO 158 CO -0.43 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 177.80 2pyu n ILE 159 N -2.67 1.25 -3.59 4.15 -5.35 0.15 -1.71 119.36 111.59 2pyu n ILE 159 Ca -0.01 -1.23 -0.40 0.00 -0.27 0.00 0.00 62.75 60.84 2pyu n ILE 159 Cb 0.11 0.33 -0.09 0.00 -1.74 0.00 0.00 39.64 38.25 2pyu n ILE 159 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 2pyu s PHE 160 N -1.41 3.46 0.05 4.28 5.36 -0.99 -0.82 117.98 127.90 2pyu s PHE 160 Ca 0.19 -1.97 -0.25 0.00 -0.96 0.00 0.00 56.93 53.94 2pyu s PHE 160 Cb 0.13 -3.46 -0.06 0.00 -0.34 0.00 0.00 43.02 39.29 2pyu s PHE 160 CO 0.09 -0.99 0.75 0.12 -1.46 0.00 0.00 175.22 173.73 2pyu s PHE 161 N 1.29 3.75 -0.55 10.12 2.19 0.11 -0.10 117.98 134.79 2pyu s PHE 161 Ca 0.06 1.47 -0.03 0.00 0.33 0.00 0.00 56.93 58.76 2pyu s PHE 161 Cb -0.25 -2.80 0.14 0.00 -1.31 0.00 0.00 43.02 38.80 2pyu s PHE 161 CO -0.01 0.31 0.36 0.08 1.83 0.00 0.00 175.22 177.78 2pyu s VAL 162 N -0.18 3.59 0.41 3.12 1.01 0.12 -0.37 120.40 128.10 2pyu s VAL 162 Ca 0.38 -2.62 0.10 0.00 0.00 0.00 0.00 61.98 59.84 2pyu s VAL 162 Cb -0.21 -3.38 0.31 0.00 0.00 0.00 0.00 36.38 33.10 2pyu s VAL 162 CO 0.23 -0.81 1.99 -0.65 0.00 0.00 0.00 175.10 175.86 2pyu h PRO 163 N 7.42 0.51 0.00 2.72 0.11 -1.88 0.25 132.00 141.14 2pyu h PRO 163 Ca -0.06 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 2pyu h PRO 163 Cb 0.99 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 2pyu h PRO 163 CO 0.71 0.34 -0.01 0.66 -0.21 0.00 0.00 178.00 179.49 2pyu h SER 164 N 0.53 0.00 -0.00 -2.05 4.64 -1.94 -2.30 113.55 112.43 2pyu h SER 164 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2pyu h SER 164 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2pyu h SER 164 CO -0.08 0.01 -0.64 -0.62 -0.87 0.00 0.00 176.83 174.64 2pyu n GLU 165 N -3.36 1.96 -1.73 4.77 -0.58 0.79 -4.99 120.64 117.50 2pyu n GLU 165 Ca -0.03 -0.15 -0.20 0.00 -0.42 0.00 0.00 57.16 56.37 2pyu n GLU 165 Cb 0.11 -1.22 -0.07 0.00 -0.57 0.00 0.00 31.44 29.69 2pyu n GLU 165 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pyu n GLY 166 N 1.32 1.44 3.57 0.62 0.00 -0.57 -4.96 105.19 106.60 2pyu n GLY 166 Ca 0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 2pyu n GLY 166 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pyu s LYS 167 N -3.93 1.51 0.70 1.61 -2.85 -1.24 -5.00 119.74 110.53 2pyu s LYS 167 Ca 0.00 -1.23 -0.11 0.00 -1.00 0.00 0.00 55.97 53.63 2pyu s LYS 167 Cb 0.00 0.47 0.01 0.00 -2.06 0.00 0.00 37.83 36.24 2pyu s LYS 167 CO 0.00 -0.62 1.06 0.95 0.10 0.00 0.00 175.35 176.84 2pyu s THR 168 N -4.01 3.94 0.34 3.79 -4.23 -1.26 -0.70 115.64 113.51 2pyu s THR 168 Ca 0.22 0.63 0.09 0.00 -1.18 0.00 0.00 61.69 61.44 2pyu s THR 168 Cb -0.00 -3.47 0.32 0.00 1.34 0.00 0.00 72.50 70.69 2pyu s THR 168 CO 0.08 -0.82 1.84 0.00 -0.54 0.00 0.00 174.62 175.18 2pyu h ALA 169 N -0.69 1.82 0.00 3.99 0.00 -0.32 -1.25 119.26 122.82 2pyu h ALA 169 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2pyu h ALA 169 Cb 1.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2pyu h ALA 169 CO 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.75 2pyu n ALA 170 N -2.41 1.80 0.86 0.00 0.00 -0.90 -2.53 120.51 117.33 2pyu n ALA 170 Ca 0.19 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.77 2pyu n ALA 170 Cb 0.51 -1.37 0.22 0.00 0.00 0.00 0.00 19.45 18.82 2pyu n ALA 170 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pyu n GLU 171 N -2.01 0.10 -2.24 0.00 1.02 -0.48 -0.87 120.64 116.16 2pyu n GLU 171 Ca 0.03 0.02 -0.33 0.00 -0.02 0.00 0.00 57.16 56.87 2pyu n GLU 171 Cb 0.25 -1.55 -0.01 0.00 -0.02 0.00 0.00 31.44 30.11 2pyu n GLU 171 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pyu s LEU 172 N -3.38 3.59 0.78 -4.62 1.43 -1.05 -4.98 118.68 110.45 2pyu s LEU 172 Ca 0.09 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 54.82 2pyu s LEU 172 Cb 0.16 -4.53 0.06 0.00 0.03 0.00 0.00 46.19 41.91 2pyu s LEU 172 CO 0.71 -0.91 1.10 0.42 0.23 0.00 0.00 176.35 177.90 2pyu s THR 173 N -2.46 3.12 0.22 5.49 -4.23 -1.26 -4.79 115.64 111.74 2pyu s THR 173 Ca 0.62 0.37 -0.08 0.00 -1.18 0.00 0.00 61.69 61.42 2pyu s THR 173 Cb -0.14 -3.19 0.17 0.00 1.34 0.00 0.00 72.50 70.68 2pyu s THR 173 CO 0.33 -0.48 1.83 -0.09 -0.54 0.00 0.00 174.62 175.67 2pyu h ARG 174 N -0.98 0.78 -0.50 3.99 2.43 -1.96 0.17 114.38 118.31 2pyu h ARG 174 Ca -0.46 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.55 2pyu h ARG 174 Cb 1.27 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 2pyu h ARG 174 CO 0.61 0.51 -0.11 0.93 -1.51 0.00 0.00 179.97 180.41 2pyu h GLU 175 N 0.80 0.91 -0.43 0.20 5.08 -1.98 0.66 114.58 119.82 2pyu h GLU 175 Ca 0.32 -0.32 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2pyu h GLU 175 Cb 0.16 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2pyu h GLU 175 CO -0.17 0.97 -0.29 0.93 -1.00 0.00 0.00 179.01 179.46 2pyu h GLU 176 N 0.82 0.96 -0.10 2.33 5.08 -1.83 -2.76 114.58 119.08 2pyu h GLU 176 Ca 0.13 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 2pyu h GLU 176 Cb 0.63 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2pyu h GLU 176 CO 0.04 1.12 -0.11 -0.22 -1.00 0.00 0.00 179.01 178.84 2pyu h LYS 177 N 0.80 0.25 -0.90 2.33 3.64 -0.47 -3.21 116.57 119.01 2pyu h LYS 177 Ca 0.09 -0.14 0.13 0.00 -1.27 0.00 0.00 60.65 59.46 2pyu h LYS 177 Cb 0.87 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.63 2pyu h LYS 177 CO 0.08 0.68 0.58 0.77 -2.27 0.00 0.00 179.45 179.29 2pyu h SER 178 N -0.16 0.72 0.12 4.20 0.02 -0.90 -0.55 113.55 117.00 2pyu h SER 178 Ca 0.02 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2pyu h SER 178 Cb 0.63 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2pyu h SER 178 CO 0.03 0.38 -0.08 0.00 -1.14 0.00 0.00 176.83 176.02 2pyu h ALA 179 N 1.58 1.68 0.00 3.77 0.00 -1.49 -3.33 119.26 121.47 2pyu h ALA 179 Ca 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2pyu h ALA 179 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2pyu h ALA 179 CO -0.21 0.10 0.00 0.44 0.00 0.00 0.00 179.25 179.58 2pyu n ILE 180 N -4.17 0.00 -1.86 0.00 -5.35 -0.34 -4.90 119.36 102.74 2pyu n ILE 180 Ca -0.03 -0.39 -0.29 0.00 -0.27 0.00 0.00 62.75 61.77 2pyu n ILE 180 Cb 0.16 1.16 0.09 0.00 -1.74 0.00 0.00 39.64 39.31 2pyu n ILE 180 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2pyu s SER 181 N -0.20 4.49 0.32 7.28 1.04 -0.48 -4.78 113.70 121.38 2pyu s SER 181 Ca 0.00 0.84 0.04 0.00 0.48 0.00 0.00 55.95 57.31 2pyu s SER 181 Cb 0.00 -1.37 0.64 0.00 0.10 0.00 0.00 66.02 65.39 2pyu s SER 181 CO 0.00 -1.92 1.88 1.12 0.98 0.00 0.00 173.24 175.30 2pyu h HIS 182 N -1.06 0.98 -0.20 5.02 2.07 -1.84 -0.42 115.15 119.70 2pyu h HIS 182 Ca -0.46 0.03 -0.12 0.00 -2.85 0.00 0.00 60.37 56.96 2pyu h HIS 182 Cb 1.32 -0.32 0.00 0.00 2.57 0.00 0.00 27.41 30.99 2pyu h HIS 182 CO 0.33 0.44 -0.36 -0.09 -3.07 0.00 0.00 177.93 175.18 2pyu h ARG 183 N 0.90 0.59 -0.48 5.12 2.43 -1.91 -1.74 114.38 119.30 2pyu h ARG 183 Ca 0.43 -0.37 0.09 0.00 -0.81 0.00 0.00 59.98 59.32 2pyu h ARG 183 Cb 0.43 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.94 2pyu h ARG 183 CO -0.19 0.98 -0.03 0.78 -1.51 0.00 0.00 179.97 180.00 2pyu h GLY 184 N 0.27 0.45 0.98 2.80 0.00 -1.63 -0.94 103.07 104.98 2pyu h GLY 184 Ca 0.01 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 2pyu h GLY 184 CO 0.08 -0.15 0.08 1.46 0.00 0.00 0.00 176.54 178.02 2pyu h GLN 185 N 0.08 0.18 -0.68 4.80 4.20 -0.99 -1.60 115.11 121.10 2pyu h GLN 185 Ca 0.24 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.88 2pyu h GLN 185 Cb 0.36 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 2pyu h GLN 185 CO -0.42 0.15 0.22 0.00 -0.67 0.00 0.00 178.83 178.11 2pyu h ALA 186 N 1.02 0.90 -0.26 3.87 0.00 -1.05 -0.22 119.26 123.53 2pyu h ALA 186 Ca 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2pyu h ALA 186 Cb 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2pyu h ALA 186 CO -0.01 0.57 0.15 -0.07 0.00 0.00 0.00 179.25 179.89 2pyu h LEU 187 N 1.00 0.25 -0.69 0.00 3.38 -1.11 -0.49 115.31 117.66 2pyu h LEU 187 Ca 0.22 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.28 2pyu h LEU 187 Cb 0.29 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 2pyu h LEU 187 CO -0.01 0.19 0.34 0.11 0.09 0.00 0.00 178.44 179.16 2pyu h LYS 188 N 0.32 0.58 -0.63 1.13 1.57 -1.00 0.61 116.57 119.15 2pyu h LYS 188 Ca 0.10 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 2pyu h LYS 188 Cb -0.01 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 2pyu h LYS 188 CO -0.04 0.38 0.17 -0.07 -0.57 0.00 0.00 179.45 179.32 2pyu h LEU 189 N 0.59 0.94 -0.04 2.94 3.38 -0.71 -0.69 115.31 121.72 2pyu h LEU 189 Ca 0.33 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2pyu h LEU 189 Cb 0.33 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2pyu h LEU 189 CO -0.25 0.92 0.01 0.25 0.09 0.00 0.00 178.44 179.45 2pyu h LEU 190 N 0.92 0.06 -1.10 1.67 5.85 -0.52 0.34 115.31 122.53 2pyu h LEU 190 Ca 0.20 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2pyu h LEU 190 Cb 0.33 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2pyu h LEU 190 CO -0.00 0.30 0.09 -0.07 -0.34 0.00 0.00 178.44 178.42 2pyu h LEU 191 N -0.18 0.68 -0.16 2.25 4.07 -0.76 -1.37 115.31 119.84 2pyu h LEU 191 Ca 0.01 -0.12 -0.22 0.00 0.08 0.00 0.00 57.88 57.63 2pyu h LEU 191 Cb 0.27 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.82 2pyu h LEU 191 CO 0.00 0.69 -0.97 0.44 -1.08 0.00 0.00 178.44 177.52 2pyu h ASP 192 N 0.71 0.40 0.90 -0.43 3.32 -0.93 -3.06 116.42 117.32 2pyu h ASP 192 Ca 0.16 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2pyu h ASP 192 Cb 0.30 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2pyu h ASP 192 CO 0.00 1.16 0.00 0.00 -1.72 0.00 0.00 179.24 178.68 2pyu h ALA 193 N 0.80 1.00 -0.75 3.45 0.00 0.21 -2.71 119.26 121.26 2pyu h ALA 193 Ca -0.07 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.38 2pyu h ALA 193 Cb 1.63 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 19.19 2pyu h ALA 193 CO 0.16 0.00 0.58 1.28 0.00 0.00 0.00 179.25 181.27 2pyu n LEU 194 N -2.86 6.49 -0.32 0.00 4.77 -0.57 -4.40 117.00 120.12 2pyu n LEU 194 Ca 0.01 -3.46 0.00 0.00 -0.03 0.00 0.00 56.01 52.52 2pyu n LEU 194 Cb 0.27 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2pyu n LEU 194 CO 0.25 1.14 0.22 0.54 -1.33 0.00 0.00 177.39 178.20 2pyu n ARG 195 N -0.53 0.00 0.00 3.23 1.74 -1.02 -5.03 116.66 115.04 2pyu n ARG 195 Ca 0.46 -0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2pyu n ARG 195 Cb 1.00 -0.31 0.00 0.00 -1.02 0.00 0.00 32.46 32.13 2pyu n ARG 195 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20