#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1owi s ILE 2 N 0.00 5.31 0.00 1.39 -1.09 -0.01 -3.29 121.20 123.51 1owi s ILE 2 Ca 0.00 0.48 0.00 0.00 -2.23 0.00 0.00 60.65 58.90 1owi s ILE 2 Cb 0.00 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 1owi s ILE 2 CO 0.00 0.50 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 1owi n GLY 3 N 2.64 2.32 7.00 6.18 0.00 -1.26 -2.68 105.19 119.39 1owi n GLY 3 Ca -0.15 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1owi n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1owi n GLY 4 N 0.00 0.25 3.04 -0.02 0.00 -1.26 -4.91 105.19 102.29 1owi n GLY 4 Ca 0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 1owi n GLY 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1owi s GLU 5 N 0.00 0.49 0.90 1.61 2.02 0.30 -4.97 118.70 119.05 1owi s GLU 5 Ca 0.00 -0.67 -0.12 0.00 0.02 0.00 0.00 54.97 54.20 1owi s GLU 5 Cb 0.00 -0.27 0.13 0.00 0.10 0.00 0.00 34.13 34.10 1owi s GLU 5 CO 0.00 0.05 1.10 -0.06 0.02 0.00 0.00 175.26 176.37 1owi s PHE 6 N -1.23 2.41 0.14 1.61 0.40 -1.26 -1.39 117.98 118.65 1owi s PHE 6 Ca -0.09 1.09 -0.24 0.00 -0.60 0.00 0.00 56.93 57.09 1owi s PHE 6 Cb -0.09 -3.22 0.08 0.00 0.51 0.00 0.00 43.02 40.30 1owi s PHE 6 CO 0.00 -2.38 1.05 -0.08 0.70 0.00 0.00 175.22 174.51 1owi s THR 7 N -3.05 0.00 0.26 0.64 -1.32 0.33 -4.76 115.64 107.75 1owi s THR 7 Ca 0.63 -0.55 0.11 0.00 -1.21 0.00 0.00 61.69 60.67 1owi s THR 7 Cb -0.17 -2.49 -0.05 0.00 -1.51 0.00 0.00 72.50 68.29 1owi s THR 7 CO 0.56 0.00 -0.17 0.42 -2.21 0.00 0.00 174.62 173.22 1owi s THR 8 N -2.57 2.64 0.61 5.08 -4.23 -1.26 -3.82 115.64 112.10 1owi s THR 8 Ca 0.18 -2.23 0.34 0.00 -1.18 0.00 0.00 61.69 58.80 1owi s THR 8 Cb -0.01 -2.37 0.38 0.00 1.34 0.00 0.00 72.50 71.84 1owi s THR 8 CO 0.03 -0.33 2.28 -0.29 -0.54 0.00 0.00 174.62 175.76 1owi h ILE 9 N 2.39 0.37 0.00 2.99 6.09 -1.85 -2.27 117.51 125.23 1owi h ILE 9 Ca -0.42 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.07 1owi h ILE 9 Cb 1.25 0.99 0.00 0.00 0.47 0.00 0.00 36.82 39.52 1owi h ILE 9 CO 0.58 0.00 0.00 -1.84 -3.07 0.00 0.00 178.15 173.82 1owi n GLU 10 N -3.62 0.06 0.00 2.19 0.28 -1.26 -1.18 120.64 117.11 1owi n GLU 10 Ca -0.03 0.50 0.10 0.00 -0.16 0.00 0.00 57.16 57.57 1owi n GLU 10 Cb 0.10 -1.67 -0.09 0.00 1.43 0.00 0.00 31.44 31.21 1owi n GLU 10 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1owi n ASN 11 N -1.79 1.18 -3.15 -1.84 5.03 -0.85 -4.54 115.26 109.29 1owi n ASN 11 Ca 0.00 -1.09 -0.19 0.00 0.87 0.00 0.00 54.58 54.17 1owi n ASN 11 Cb 0.06 0.89 -0.04 0.00 -1.02 0.00 0.00 39.78 39.67 1owi n ASN 11 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1owi n GLN 12 N -1.16 0.87 0.00 3.52 1.13 -0.32 -4.99 117.38 116.42 1owi n GLN 12 Ca 0.05 -3.20 0.03 0.00 -1.94 0.00 0.00 57.00 51.93 1owi n GLN 12 Cb 0.34 -1.49 0.15 0.00 0.11 0.00 0.00 30.24 29.36 1owi n GLN 12 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1owi n PRO 13 N 0.74 0.16 -0.20 -1.09 -0.04 -1.13 -1.96 135.00 131.49 1owi n PRO 13 Ca 0.22 0.01 0.05 0.00 -0.04 0.00 0.00 63.50 63.75 1owi n PRO 13 Cb 0.61 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.73 1owi n PRO 13 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1owi n TRP 14 N -1.01 0.47 -3.26 0.54 2.14 -1.24 -0.24 117.44 114.84 1owi n TRP 14 Ca 0.04 -0.58 -0.39 0.00 2.07 0.00 0.00 57.50 58.64 1owi n TRP 14 Cb 0.02 -0.08 -0.06 0.00 -0.81 0.00 0.00 31.31 30.37 1owi n TRP 14 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1owi s PHE 15 N -1.36 3.41 -0.17 -2.67 5.36 -0.83 -1.77 117.98 119.95 1owi s PHE 15 Ca 0.24 0.82 -0.04 0.00 -0.96 0.00 0.00 56.93 56.99 1owi s PHE 15 Cb 0.15 -2.65 -0.02 0.00 -0.34 0.00 0.00 43.02 40.16 1owi s PHE 15 CO 0.12 -0.03 -0.03 0.00 -1.46 0.00 0.00 175.22 173.82 1owi s ALA 16 N 1.36 2.98 -0.38 11.12 0.00 -0.92 -4.29 121.76 131.63 1owi s ALA 16 Ca 0.25 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 51.16 1owi s ALA 16 Cb -0.15 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.36 1owi s ALA 16 CO 0.10 0.07 0.35 0.00 0.00 0.00 0.00 175.76 176.28 1owi s ALA 17 N 0.61 3.47 -0.25 0.00 0.00 -0.61 -1.00 121.76 123.98 1owi s ALA 17 Ca -0.02 -1.46 -0.08 0.00 0.00 0.00 0.00 51.96 50.40 1owi s ALA 17 Cb -0.14 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 1owi s ALA 17 CO 0.02 -1.31 0.08 0.42 0.00 0.00 0.00 175.76 174.97 1owi s ILE 18 N 1.91 4.37 0.46 0.00 1.01 -0.68 -0.99 121.20 127.28 1owi s ILE 18 Ca 0.09 -0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.64 1owi s ILE 18 Cb -0.17 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 1owi s ILE 18 CO 0.12 0.33 0.10 -0.31 0.00 0.00 0.00 174.94 175.18 1owi s TYR 19 N 1.62 2.22 -0.11 3.97 1.51 -0.46 -0.54 117.35 125.57 1owi s TYR 19 Ca 0.06 -0.76 -0.06 0.00 -1.01 0.00 0.00 57.07 55.30 1owi s TYR 19 Cb -0.15 -1.79 0.05 0.00 -0.11 0.00 0.00 41.96 39.96 1owi s TYR 19 CO 0.04 0.20 0.27 0.50 -1.11 0.00 0.00 175.55 175.45 1owi s ARG 20 N -3.88 0.24 0.45 -0.62 3.52 -0.31 -0.84 118.95 117.50 1owi s ARG 20 Ca 0.27 0.55 -0.23 0.00 -0.13 0.00 0.00 55.73 56.19 1owi s ARG 20 Cb 0.04 -0.09 -0.08 0.00 -1.56 0.00 0.00 34.95 33.27 1owi s ARG 20 CO 0.15 -0.15 1.14 1.03 -0.81 0.00 0.00 175.30 176.66 1owi s ARG 21 N 1.19 3.81 0.19 5.12 0.52 -0.07 -2.85 118.95 126.86 1owi s ARG 21 Ca -0.09 1.72 0.09 0.00 -0.52 0.00 0.00 55.73 56.93 1owi s ARG 21 Cb -0.09 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 32.93 1owi s ARG 21 CO -0.08 -0.49 -0.13 -1.01 0.02 0.00 0.00 175.30 173.60 1owi s HIS 22 N -1.58 2.55 -0.18 -0.53 3.76 -0.35 -4.90 115.29 114.06 1owi s HIS 22 Ca 0.63 -0.25 -0.35 0.00 -0.15 0.00 0.00 55.06 54.94 1owi s HIS 22 Cb -0.27 -1.25 -0.12 0.00 1.11 0.00 0.00 32.58 32.06 1owi s HIS 22 CO 0.33 0.51 1.96 0.54 -0.85 0.00 0.00 174.74 177.23 1owi n ARG 23 N 0.08 1.80 0.00 1.40 3.00 -1.26 -0.85 116.66 120.83 1owi n ARG 23 Ca -0.11 0.62 0.00 0.00 -0.01 0.00 0.00 57.85 58.35 1owi n ARG 23 Cb 0.56 -2.60 0.00 0.00 0.00 0.00 0.00 32.46 30.42 1owi n ARG 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1owi n GLY 23 N 4.96 2.04 0.00 -0.13 0.00 -1.26 -4.81 105.19 105.98 1owi n GLY 23 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1owi n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1owi n GLY 24 N 0.00 3.11 3.71 -0.02 0.00 -0.03 -5.08 105.19 106.88 1owi n GLY 24 Ca 0.00 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 1owi n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1owi n SER 25 N 0.36 2.70 -4.11 1.61 3.41 -1.26 -4.58 113.62 111.76 1owi n SER 25 Ca 0.00 1.12 -0.28 0.00 -0.26 0.00 0.00 58.87 59.45 1owi n SER 25 Cb 0.00 -1.52 -0.17 0.00 -0.26 0.00 0.00 64.21 62.27 1owi n SER 25 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1owi s VAL 26 N -1.19 1.52 0.34 -3.33 1.01 -1.26 -1.21 120.40 116.27 1owi s VAL 26 Ca 0.61 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.97 1owi s VAL 26 Cb -0.50 -1.34 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 1owi s VAL 26 CO 0.58 0.44 -0.01 0.42 0.00 0.00 0.00 175.10 176.53 1owi s THR 27 N 0.45 2.58 -0.00 3.92 -4.23 -1.13 -4.92 115.64 112.30 1owi s THR 27 Ca -0.14 -2.01 -0.22 0.00 -1.18 0.00 0.00 61.69 58.14 1owi s THR 27 Cb -0.16 -2.77 -0.05 0.00 1.34 0.00 0.00 72.50 70.86 1owi s THR 27 CO 0.05 -0.20 0.64 -0.47 -0.54 0.00 0.00 174.62 174.10 1owi s TYR 28 N -2.53 3.68 0.00 3.99 6.14 -1.26 -1.17 117.35 126.20 1owi s TYR 28 Ca 0.34 1.26 0.00 0.00 0.64 0.00 0.00 57.07 59.31 1owi s TYR 28 Cb 0.00 -2.68 0.00 0.00 0.42 0.00 0.00 41.96 39.71 1owi s TYR 28 CO 0.19 0.30 0.00 0.28 0.64 0.00 0.00 175.55 176.96 1owi n VAL 29 N 2.89 0.00 -4.16 3.14 0.31 0.30 -4.94 118.33 115.87 1owi n VAL 29 Ca -0.05 0.10 -0.15 0.00 -0.01 0.00 0.00 64.34 64.23 1owi n VAL 29 Cb 0.51 -1.06 -0.07 0.00 -0.91 0.00 0.00 33.84 32.32 1owi n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1owi s GLY 31 N -3.24 1.80 0.08 0.00 0.00 -1.12 -1.68 107.32 103.15 1owi s GLY 31 Ca 0.34 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.40 1owi s GLY 31 CO 0.20 -1.57 0.10 0.61 0.00 0.00 0.00 173.10 172.43 1owi n GLY 32 N -1.41 3.12 2.83 0.20 0.00 -0.17 -4.00 105.19 105.76 1owi n GLY 32 Ca -0.01 -1.50 -0.17 0.00 0.00 0.00 0.00 46.02 44.34 1owi n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1owi s SER 33 N -1.49 0.45 -0.60 1.61 0.01 -1.03 -2.16 113.70 110.49 1owi s SER 33 Ca 0.07 -0.04 -0.27 0.00 1.31 0.00 0.00 55.95 57.02 1owi s SER 33 Cb -0.00 -0.23 -0.00 0.00 0.21 0.00 0.00 66.02 65.99 1owi s SER 33 CO 0.05 -0.09 1.64 -0.22 0.41 0.00 0.00 173.24 175.03 1owi s LEU 34 N 0.96 3.31 0.04 2.44 2.96 -0.73 -0.96 118.68 126.70 1owi s LEU 34 Ca -0.10 0.25 -0.19 0.00 -0.22 0.00 0.00 54.13 53.88 1owi s LEU 34 Cb -0.13 -2.74 -0.16 0.00 0.50 0.00 0.00 46.19 43.65 1owi s LEU 34 CO -0.01 -2.06 1.26 -0.03 -1.32 0.00 0.00 176.35 174.19 1owi h MET 35 N 12.93 0.47 -3.34 1.98 4.05 -0.52 -3.16 114.93 127.33 1owi h MET 35 Ca -0.27 -0.33 -0.03 0.00 -0.28 0.00 0.00 59.70 58.79 1owi h MET 35 Cb 1.12 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 31.92 1owi h MET 35 CO 1.21 0.95 0.08 -1.54 0.23 0.00 0.00 176.91 177.83 1owi s SER 36 N -6.48 -0.02 0.46 1.39 1.04 -1.00 -4.72 113.70 104.37 1owi s SER 36 Ca -0.13 -0.93 0.30 0.00 0.48 0.00 0.00 55.95 55.68 1owi s SER 36 Cb 0.05 0.70 1.40 0.00 0.10 0.00 0.00 66.02 68.28 1owi s SER 36 CO 0.80 -1.35 1.68 -0.65 0.98 0.00 0.00 173.24 174.70 1owi h PRO 37 N 2.10 0.13 -0.01 4.02 0.11 -1.92 -0.62 132.00 135.81 1owi h PRO 37 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1owi h PRO 37 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1owi h PRO 37 CO 0.32 0.09 -0.31 0.00 -0.21 0.00 0.00 178.00 177.89 1owi s TRP 39 N -1.77 1.42 0.07 0.00 0.52 -0.24 -1.11 118.94 117.84 1owi s TRP 39 Ca 0.12 -0.32 0.07 0.00 0.02 0.00 0.00 56.10 55.99 1owi s TRP 39 Cb 0.12 -0.88 -0.03 0.00 -1.15 0.00 0.00 33.47 31.53 1owi s TRP 39 CO 0.37 0.02 -0.18 0.08 0.02 0.00 0.00 176.95 177.26 1owi s VAL 40 N -0.62 1.48 -0.12 4.03 1.01 -0.78 0.21 120.40 125.61 1owi s VAL 40 Ca 0.05 -1.31 0.01 0.00 0.00 0.00 0.00 61.98 60.73 1owi s VAL 40 Cb -0.07 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.99 1owi s VAL 40 CO 0.01 -0.01 -0.14 -0.51 0.00 0.00 0.00 175.10 174.44 1owi s ILE 41 N -1.03 1.43 0.00 2.22 2.07 -0.13 -1.12 121.20 124.64 1owi s ILE 41 Ca 0.04 -0.59 0.00 0.00 -1.41 0.00 0.00 60.65 58.70 1owi s ILE 41 Cb -0.09 -1.33 0.00 0.00 0.13 0.00 0.00 42.46 41.16 1owi s ILE 41 CO 0.03 0.43 0.00 -0.24 -1.91 0.00 0.00 174.94 173.25 1owi n SER 42 N 4.40 0.00 -4.52 4.50 2.88 -0.61 -2.48 113.62 117.80 1owi n SER 42 Ca -0.18 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.04 1owi n SER 42 Cb 0.51 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.85 1owi n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1owi s ALA 43 N -2.00 2.78 -0.03 -1.46 0.00 -1.26 -1.40 121.76 118.38 1owi s ALA 43 Ca 0.00 -1.04 0.31 0.00 0.00 0.00 0.00 51.96 51.23 1owi s ALA 43 Cb 0.00 -0.98 1.18 0.00 0.00 0.00 0.00 23.12 23.32 1owi s ALA 43 CO 0.00 0.58 1.91 1.15 0.00 0.00 0.00 175.76 179.40 1owi h THR 44 N 4.04 0.00 -0.01 0.00 2.02 -1.77 -3.14 112.91 114.05 1owi h THR 44 Ca -0.48 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1owi h THR 44 Cb 1.16 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1owi h THR 44 CO 0.51 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.40 1owi n HIS 45 N -3.02 0.01 1.08 3.16 1.44 -1.26 -1.47 115.22 115.16 1owi n HIS 45 Ca 0.01 -0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 1owi n HIS 45 Cb 0.34 0.00 0.12 0.00 0.12 0.00 0.00 29.99 30.57 1owi n HIS 45 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1owi n PHE 47 N -0.51 0.00 -0.33 0.00 3.72 -1.09 -4.87 117.46 114.38 1owi n PHE 47 Ca 0.09 0.00 0.25 0.00 -0.05 0.00 0.00 57.45 57.75 1owi n PHE 47 Cb 0.40 0.00 0.48 0.00 -0.94 0.00 0.00 39.48 39.42 1owi n PHE 47 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 1owi h ILE 48 N 0.00 0.02 0.00 4.37 6.09 -1.49 0.35 117.51 126.85 1owi h ILE 48 Ca 0.00 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.48 1owi h ILE 48 Cb 0.23 0.00 0.00 0.00 0.47 0.00 0.00 36.82 37.52 1owi h ILE 48 CO 0.00 0.00 -0.10 0.44 -3.07 0.00 0.00 178.15 175.43 1owi h ASP 49 N 0.02 0.00 -2.05 2.19 3.32 -1.88 -3.36 116.42 114.67 1owi h ASP 49 Ca 0.75 -0.02 -0.56 0.00 0.02 0.00 0.00 57.03 57.22 1owi h ASP 49 Cb 1.86 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 41.01 1owi h ASP 49 CO -0.81 0.01 -1.00 -1.22 -1.72 0.00 0.00 179.24 174.50 1owi n TYR 50 N -2.47 0.66 0.24 4.55 4.02 0.12 -4.98 117.16 119.30 1owi n TYR 50 Ca 0.05 -3.73 0.02 0.00 -0.01 0.00 0.00 57.90 54.23 1owi n TYR 50 Cb 0.46 -0.41 0.11 0.00 -0.02 0.00 0.00 39.34 39.49 1owi n TYR 50 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1owi n PRO 51 N 1.11 0.11 -2.42 -0.72 -0.04 -0.99 -4.71 135.00 127.35 1owi n PRO 51 Ca 0.24 0.04 -0.41 0.00 -0.04 0.00 0.00 63.50 63.32 1owi n PRO 51 Cb 0.52 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 1owi n PRO 51 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1owi s LYS 52 N -2.08 3.15 0.37 0.54 1.02 -1.26 -4.90 119.74 116.57 1owi s LYS 52 Ca 0.06 0.15 0.14 0.00 0.02 0.00 0.00 55.97 56.33 1owi s LYS 52 Cb 0.03 -4.19 0.97 0.00 -0.52 0.00 0.00 37.83 34.12 1owi s LYS 52 CO 0.05 -2.15 1.79 1.57 -0.92 0.00 0.00 175.35 175.68 1owi h LYS 53 N 11.15 0.52 -0.42 1.68 2.10 -1.90 -1.58 116.57 128.11 1owi h LYS 53 Ca -0.27 -0.03 0.12 0.00 -2.00 0.00 0.00 60.65 58.47 1owi h LYS 53 Cb 1.08 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 32.28 1owi h LYS 53 CO 1.23 0.34 0.30 0.93 -2.00 0.00 0.00 179.45 180.26 1owi h GLU 54 N 0.53 0.03 0.00 0.07 3.07 -1.90 -2.44 114.58 113.93 1owi h GLU 54 Ca 0.56 -0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.37 1owi h GLU 54 Cb 1.21 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 1owi h GLU 54 CO -0.31 0.02 -0.26 -0.44 -1.40 0.00 0.00 179.01 176.62 1owi h ASP 55 N 0.03 0.00 -3.69 1.42 3.32 -1.63 -3.46 116.42 112.41 1owi h ASP 55 Ca 0.20 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.75 1owi h ASP 55 Cb 0.77 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 1owi h ASP 55 CO -0.01 0.26 0.19 -0.31 -1.72 0.00 0.00 179.24 177.65 1owi s TYR 56 N -3.83 3.65 0.06 4.55 2.02 -0.92 -0.89 117.35 121.99 1owi s TYR 56 Ca -0.01 1.52 0.07 0.00 -0.37 0.00 0.00 57.07 58.28 1owi s TYR 56 Cb 0.12 -2.72 -0.03 0.00 -0.40 0.00 0.00 41.96 38.93 1owi s TYR 56 CO 0.65 0.28 -0.19 0.42 -1.57 0.00 0.00 175.55 175.13 1owi s ILE 57 N -1.58 1.56 -0.06 2.71 1.01 -0.02 -4.33 121.20 120.49 1owi s ILE 57 Ca 0.46 -1.25 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 1owi s ILE 57 Cb -0.17 -1.39 0.03 0.00 0.01 0.00 0.00 42.46 40.94 1owi s ILE 57 CO 0.22 0.09 0.14 -0.69 0.00 0.00 0.00 174.94 174.69 1owi s VAL 58 N -0.91 -0.03 0.23 2.92 1.01 -1.16 -1.35 120.40 121.11 1owi s VAL 58 Ca 0.06 0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.25 1owi s VAL 58 Cb -0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1owi s VAL 58 CO 0.02 0.04 -0.22 -0.31 0.00 0.00 0.00 175.10 174.64 1owi s TYR 59 N 0.66 2.24 0.01 5.22 1.51 -0.16 -0.57 117.35 126.26 1owi s TYR 59 Ca -0.05 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 1owi s TYR 59 Cb -0.07 -1.05 -0.01 0.00 -0.11 0.00 0.00 41.96 40.73 1owi s TYR 59 CO -0.03 0.58 -0.09 -0.51 -1.11 0.00 0.00 175.55 174.39 1owi s LEU 60 N -3.07 2.08 -0.46 -1.29 1.43 -1.18 -1.57 118.68 114.62 1owi s LEU 60 Ca 0.25 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1owi s LEU 60 Cb -0.06 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.77 1owi s LEU 60 CO 0.12 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.34 1owi n GLY 61 N 2.47 0.71 3.70 -3.19 0.00 -1.24 -2.83 105.19 104.83 1owi n GLY 61 Ca -0.16 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 1owi n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1owi s ARG 62 N -2.11 4.22 -0.05 1.61 3.52 -1.26 -4.06 118.95 120.82 1owi s ARG 62 Ca 0.00 0.13 0.18 0.00 -0.13 0.00 0.00 55.73 55.91 1owi s ARG 62 Cb 0.00 -3.47 -0.22 0.00 -1.56 0.00 0.00 34.95 29.70 1owi s ARG 62 CO 0.00 0.13 0.48 0.43 -0.81 0.00 0.00 175.30 175.53 1owi n SER 63 N 3.93 0.38 -4.55 -2.12 7.64 -1.26 -4.56 113.62 113.07 1owi n SER 63 Ca -0.11 0.17 -0.26 0.00 1.01 0.00 0.00 58.87 59.68 1owi n SER 63 Cb 0.52 0.84 -0.11 0.00 -1.01 0.00 0.00 64.21 64.45 1owi n SER 63 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1owi s ARG 64 N -2.89 1.83 0.08 1.43 0.52 -1.26 -2.80 118.95 115.85 1owi s ARG 64 Ca -0.07 -2.00 -0.04 0.00 -0.52 0.00 0.00 55.73 53.11 1owi s ARG 64 Cb 0.09 -1.49 -0.28 0.00 0.52 0.00 0.00 34.95 33.79 1owi s ARG 64 CO 0.84 -0.01 1.15 1.25 0.02 0.00 0.00 175.30 178.55 1owi h LEU 65 N 1.95 0.42 -4.74 2.53 5.85 -1.74 -3.37 115.31 116.21 1owi h LEU 65 Ca -0.43 -0.45 -0.40 0.00 0.84 0.00 0.00 57.88 57.45 1owi h LEU 65 Cb 1.24 -0.14 -0.41 0.00 0.37 0.00 0.00 40.66 41.72 1owi h LEU 65 CO 0.75 1.35 -0.99 0.59 -0.34 0.00 0.00 178.44 179.79 1owi n ASN 66 N -3.54 2.96 -4.01 1.25 4.13 -1.26 -5.06 115.26 109.74 1owi n ASN 66 Ca -0.08 -2.89 -0.09 0.00 1.68 0.00 0.00 54.58 53.20 1owi n ASN 66 Cb 1.02 -0.45 -0.11 0.00 -1.54 0.00 0.00 39.78 38.70 1owi n ASN 66 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1owi s SER 67 N -3.58 0.30 -0.48 6.41 0.01 -1.26 -5.12 113.70 109.98 1owi s SER 67 Ca 0.37 -0.63 -0.15 0.00 1.31 0.00 0.00 55.95 56.85 1owi s SER 67 Cb 0.38 0.13 0.08 0.00 0.21 0.00 0.00 66.02 66.83 1owi s SER 67 CO -0.02 -0.39 0.40 0.20 0.41 0.00 0.00 173.24 173.84 1owi s ASN 68 N -1.87 6.12 0.02 2.44 -0.87 -1.26 -4.62 114.94 114.89 1owi s ASN 68 Ca -0.09 -1.41 -0.30 0.00 -1.57 0.00 0.00 52.86 49.48 1owi s ASN 68 Cb -0.05 -2.17 -0.05 0.00 -0.02 0.00 0.00 41.25 38.95 1owi s ASN 68 CO -0.03 -0.67 1.32 -0.89 -2.57 0.00 0.00 177.10 174.25 1owi s THR 69 N 1.62 3.82 -0.18 1.60 2.01 -1.26 -4.94 115.64 118.32 1owi s THR 69 Ca 0.04 1.24 -0.33 0.00 0.31 0.00 0.00 61.69 62.95 1owi s THR 69 Cb -0.25 -3.80 -0.10 0.00 0.01 0.00 0.00 72.50 68.37 1owi s THR 69 CO 0.06 0.03 2.05 0.00 -0.69 0.00 0.00 174.62 176.07 1owi n GLN 70 N 4.82 1.91 0.00 4.92 -0.00 -1.26 -0.90 117.38 126.87 1owi n GLN 70 Ca 0.12 0.63 0.00 0.00 -0.00 0.00 0.00 57.00 57.75 1owi n GLN 70 Cb 0.44 -2.78 0.00 0.00 -0.00 0.00 0.00 30.24 27.91 1owi n GLN 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1owi n GLY 71 N 5.27 1.67 3.54 2.61 0.00 -1.26 -5.07 105.19 111.95 1owi n GLY 71 Ca 0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 1owi n GLY 71 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1owi s GLU 72 N -0.23 -0.73 -0.08 1.61 -1.05 -0.08 -4.87 118.70 113.26 1owi s GLU 72 Ca 0.00 0.58 -0.05 0.00 -0.15 0.00 0.00 54.97 55.35 1owi s GLU 72 Cb 0.00 -1.60 0.04 0.00 -0.44 0.00 0.00 34.13 32.13 1owi s GLU 72 CO 0.00 -3.53 0.20 -1.64 0.95 0.00 0.00 175.26 171.24 1owi s MET 73 N -4.73 0.18 -0.25 -4.83 -1.94 -1.13 -5.01 119.30 101.59 1owi s MET 73 Ca 0.68 0.41 -0.12 0.00 -1.71 0.00 0.00 55.69 54.95 1owi s MET 73 Cb -0.21 -0.07 -0.05 0.00 2.01 0.00 0.00 34.83 36.51 1owi s MET 73 CO 0.61 -0.12 0.23 0.21 -0.01 0.00 0.00 175.02 175.94 1owi s LYS 74 N 0.89 4.05 0.47 2.03 2.20 -1.26 -3.08 119.74 125.05 1owi s LYS 74 Ca -0.06 -0.17 0.04 0.00 -0.36 0.00 0.00 55.97 55.42 1owi s LYS 74 Cb -0.08 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.63 1owi s LYS 74 CO -0.05 -0.05 0.10 -0.06 -0.36 0.00 0.00 175.35 174.93 1owi s PHE 75 N 1.38 2.12 0.09 4.03 0.40 0.27 -4.63 117.98 121.64 1owi s PHE 75 Ca 0.10 -0.80 0.05 0.00 -0.60 0.00 0.00 56.93 55.68 1owi s PHE 75 Cb -0.15 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 1owi s PHE 75 CO 0.07 0.16 -0.12 -1.21 0.70 0.00 0.00 175.22 174.82 1owi s GLU 76 N -3.91 0.83 -0.96 0.44 2.02 0.83 -2.99 118.70 114.97 1owi s GLU 76 Ca 0.24 -1.05 -0.21 0.00 0.02 0.00 0.00 54.97 53.98 1owi s GLU 76 Cb 0.03 -0.70 0.10 0.00 0.10 0.00 0.00 34.13 33.66 1owi s GLU 76 CO 0.13 0.14 1.25 0.08 0.02 0.00 0.00 175.26 176.88 1owi s VAL 77 N -1.79 4.40 0.18 2.63 1.01 -1.26 -0.24 120.40 125.33 1owi s VAL 77 Ca 0.01 -1.22 -0.13 0.00 0.00 0.00 0.00 61.98 60.64 1owi s VAL 77 Cb -0.07 -4.89 0.10 0.00 0.00 0.00 0.00 36.38 31.52 1owi s VAL 77 CO 0.02 -1.67 1.72 -0.08 0.00 0.00 0.00 175.10 175.08 1owi h GLU 78 N 9.23 0.24 -4.12 2.72 4.81 0.11 -3.42 114.58 124.14 1owi h GLU 78 Ca 0.16 -0.01 -0.40 0.00 -0.13 0.00 0.00 59.36 58.97 1owi h GLU 78 Cb 1.02 -0.05 -0.33 0.00 0.63 0.00 0.00 28.75 30.02 1owi h GLU 78 CO 1.23 0.16 -0.77 1.21 -0.73 0.00 0.00 179.01 180.11 1owi s ASN 79 N -5.32 0.94 -0.24 1.04 3.84 -1.01 -4.95 114.94 109.25 1owi s ASN 79 Ca -0.13 -0.13 0.00 0.00 0.21 0.00 0.00 52.86 52.81 1owi s ASN 79 Cb 0.15 -0.41 0.03 0.00 -0.55 0.00 0.00 41.25 40.48 1owi s ASN 79 CO 0.72 -0.03 -0.11 -0.22 -2.79 0.00 0.00 177.10 174.68 1owi s LEU 80 N 0.72 3.01 -0.19 3.21 2.96 -1.26 -0.62 118.68 126.50 1owi s LEU 80 Ca -0.10 -0.98 0.01 0.00 -0.22 0.00 0.00 54.13 52.84 1owi s LEU 80 Cb -0.13 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 45.00 1owi s LEU 80 CO 0.00 -0.12 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.12 1owi s ILE 81 N 1.25 2.23 -0.10 6.68 1.01 -0.21 -5.01 121.20 127.04 1owi s ILE 81 Ca -0.01 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 59.67 1owi s ILE 81 Cb -0.17 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 1owi s ILE 81 CO -0.07 0.47 -0.02 -0.76 0.00 0.00 0.00 174.94 174.57 1owi s LEU 82 N 1.30 3.45 -0.09 2.97 1.43 -1.26 -1.30 118.68 125.18 1owi s LEU 82 Ca 0.04 0.05 -0.36 0.00 -1.03 0.00 0.00 54.13 52.83 1owi s LEU 82 Cb -0.14 -1.79 -0.14 0.00 0.03 0.00 0.00 46.19 44.15 1owi s LEU 82 CO -0.11 0.32 1.73 1.57 0.23 0.00 0.00 176.35 180.09 1owi n HIS 83 N 2.53 2.14 0.80 0.29 -0.00 -1.20 -4.80 115.22 114.98 1owi n HIS 83 Ca -0.18 0.27 0.03 0.00 -0.00 0.00 0.00 57.72 57.85 1owi n HIS 83 Cb 0.53 -2.55 0.21 0.00 -0.00 0.00 0.00 29.99 28.18 1owi n HIS 83 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1owi n LYS 84 N 5.28 0.40 -0.15 1.57 0.00 -1.26 -2.70 118.16 121.31 1owi n LYS 84 Ca 0.22 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.58 1owi n LYS 84 Cb 0.23 -1.27 0.06 0.00 -0.00 0.00 0.00 35.03 34.05 1owi n LYS 84 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1owi n ASP 85 N -0.77 1.45 -4.77 -5.58 10.43 -1.26 -5.09 116.55 110.96 1owi n ASP 85 Ca 0.05 -2.38 -0.37 0.00 2.57 0.00 0.00 54.79 54.67 1owi n ASP 85 Cb 0.02 -0.24 -0.01 0.00 1.84 0.00 0.00 41.12 42.73 1owi n ASP 85 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1owi s TYR 86 N -1.49 2.93 0.12 1.24 6.14 -1.10 -4.78 117.35 120.42 1owi s TYR 86 Ca 0.14 1.56 -0.19 0.00 0.64 0.00 0.00 57.07 59.22 1owi s TYR 86 Cb 0.13 -3.32 0.05 0.00 0.42 0.00 0.00 41.96 39.23 1owi s TYR 86 CO 0.01 -1.34 0.48 -1.54 0.64 0.00 0.00 175.55 173.80 1owi s SER 87 N -1.43 -0.37 -0.24 4.32 1.04 -1.16 -5.00 113.70 110.85 1owi s SER 87 Ca 0.63 -0.14 -0.01 0.00 0.48 0.00 0.00 55.95 56.90 1owi s SER 87 Cb -0.27 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.44 1owi s SER 87 CO 0.33 -0.87 0.04 0.00 0.98 0.00 0.00 173.24 173.72 1owi s ALA 88 N -3.57 1.38 0.87 5.32 0.00 -1.26 -0.44 121.76 124.06 1owi s ALA 88 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1owi s ALA 88 Cb 0.01 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.75 1owi s ALA 88 CO -0.11 -1.33 0.00 -0.25 0.00 0.00 0.00 175.76 174.07 1owi n ASP 89 N 4.90 0.00 -0.25 0.00 10.43 -0.40 -4.95 116.55 126.28 1owi n ASP 89 Ca -0.07 -0.23 0.01 0.00 2.57 0.00 0.00 54.79 57.07 1owi n ASP 89 Cb 0.45 0.00 0.13 0.00 1.84 0.00 0.00 41.12 43.54 1owi n ASP 89 CO 0.00 0.00 0.00 0.74 -1.07 0.00 0.00 177.20 176.87 1owi h THR 90 N -0.20 0.90 0.00 -3.53 2.02 -2.03 -3.40 112.91 106.67 1owi h THR 90 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1owi h THR 90 Cb 0.00 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1owi h THR 90 CO 0.00 0.12 -0.60 0.18 0.37 0.00 0.00 175.52 175.59 1owi n LEU 91 N -4.82 0.01 -4.76 2.58 4.77 -1.26 -5.08 117.00 108.45 1owi n LEU 91 Ca 0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.68 1owi n LEU 91 Cb 0.24 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1owi n LEU 91 CO 0.27 -0.20 1.00 0.00 -1.33 0.00 0.00 177.39 177.13 1owi s ALA 92 N -2.00 3.52 -0.17 -1.18 0.00 -1.26 -4.76 121.76 115.92 1owi s ALA 92 Ca 0.00 1.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 1owi s ALA 92 Cb 0.00 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 1owi s ALA 92 CO 0.00 -0.63 -0.13 -1.01 0.00 0.00 0.00 175.76 173.99 1owi s HIS 93 N -0.73 2.83 -0.05 0.00 3.76 -1.26 -1.28 115.29 118.55 1owi s HIS 93 Ca 0.52 -1.07 -0.15 0.00 -0.15 0.00 0.00 55.06 54.21 1owi s HIS 93 Cb -0.39 -1.95 -0.05 0.00 1.11 0.00 0.00 32.58 31.30 1owi s HIS 93 CO 0.48 -0.52 0.39 -1.01 -0.85 0.00 0.00 174.74 173.24 1owi s HIS 94 N 1.01 3.64 -1.43 1.40 3.76 0.42 -4.33 115.29 119.77 1owi s HIS 94 Ca -0.01 0.89 -0.02 0.00 -0.15 0.00 0.00 55.06 55.77 1owi s HIS 94 Cb -0.15 -2.34 0.00 0.00 1.11 0.00 0.00 32.58 31.21 1owi s HIS 94 CO -0.03 0.49 0.33 0.09 -0.85 0.00 0.00 174.74 174.77 1owi n ASN 95 N 2.48 -0.26 -3.81 1.40 3.02 -1.26 -3.00 115.26 113.83 1owi n ASN 95 Ca -0.12 -1.09 -0.42 0.00 -0.03 0.00 0.00 54.58 52.92 1owi n ASN 95 Cb 0.52 -2.65 0.00 0.00 -0.61 0.00 0.00 39.78 37.04 1owi n ASN 95 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1owi n ASP 96 N -2.93 4.45 -3.72 6.41 4.64 -1.26 -4.58 116.55 119.56 1owi n ASP 96 Ca -0.30 -2.96 -0.13 0.00 -1.38 0.00 0.00 54.79 50.01 1owi n ASP 96 Cb 0.68 -1.58 -0.13 0.00 -1.04 0.00 0.00 41.12 39.05 1owi n ASP 96 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 1owi s ILE 97 N 1.94 -0.10 0.29 5.18 2.07 -1.26 -4.14 121.20 125.18 1owi s ILE 97 Ca 0.44 0.18 0.02 0.00 -1.41 0.00 0.00 60.65 59.88 1owi s ILE 97 Cb 0.12 -0.37 -0.05 0.00 0.13 0.00 0.00 42.46 42.29 1owi s ILE 97 CO -0.04 0.07 0.11 0.00 -1.91 0.00 0.00 174.94 173.17 1owi s ALA 98 N 1.45 1.93 -0.01 1.50 0.00 -0.50 -3.27 121.76 122.86 1owi s ALA 98 Ca -0.07 -1.81 0.02 0.00 0.00 0.00 0.00 51.96 50.09 1owi s ALA 98 Cb -0.11 1.02 -0.00 0.00 0.00 0.00 0.00 23.12 24.03 1owi s ALA 98 CO -0.08 -0.45 -0.07 -0.51 0.00 0.00 0.00 175.76 174.65 1owi s LEU 99 N -3.36 1.93 -0.21 0.00 1.43 -0.42 -1.57 118.68 116.49 1owi s LEU 99 Ca 0.36 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1owi s LEU 99 Cb 0.07 -0.38 0.06 0.00 0.03 0.00 0.00 46.19 45.96 1owi s LEU 99 CO 0.15 0.07 -0.02 -0.76 0.23 0.00 0.00 176.35 176.02 1owi s LEU 100 N -0.04 1.91 -0.26 1.79 1.02 -0.27 -1.05 118.68 121.78 1owi s LEU 100 Ca 0.01 -0.95 -0.28 0.00 0.02 0.00 0.00 54.13 52.93 1owi s LEU 100 Cb -0.04 -0.93 0.01 0.00 0.02 0.00 0.00 46.19 45.25 1owi s LEU 100 CO -0.00 -0.25 1.01 -0.75 0.02 0.00 0.00 176.35 176.39 1owi s LYS 101 N 1.60 4.18 0.58 1.70 2.20 0.21 -1.87 119.74 128.34 1owi s LYS 101 Ca -0.03 1.20 -0.02 0.00 -0.36 0.00 0.00 55.97 56.76 1owi s LYS 101 Cb -0.17 -3.67 0.03 0.00 -1.51 0.00 0.00 37.83 32.50 1owi s LYS 101 CO -0.07 -0.70 0.84 0.96 -0.36 0.00 0.00 175.35 176.03 1owi s ILE 102 N 3.27 3.02 -0.29 5.43 -4.36 -0.27 0.15 121.20 128.15 1owi s ILE 102 Ca 0.43 -0.39 -0.18 0.00 -0.26 0.00 0.00 60.65 60.24 1owi s ILE 102 Cb -0.14 -3.18 0.15 0.00 1.25 0.00 0.00 42.46 40.54 1owi s ILE 102 CO 0.09 -0.16 1.06 -0.60 0.24 0.00 0.00 174.94 175.57 1owi s ARG 103 N -4.89 0.33 0.69 0.37 3.52 0.66 -4.56 118.95 115.07 1owi s ARG 103 Ca 0.56 0.52 -0.08 0.00 -0.13 0.00 0.00 55.73 56.59 1owi s ARG 103 Cb -0.10 0.10 0.04 0.00 -1.56 0.00 0.00 34.95 33.42 1owi s ARG 103 CO 0.41 -0.06 1.02 -1.54 -0.81 0.00 0.00 175.30 174.33 1owi s SER 104 N 0.98 5.16 0.62 -2.12 1.04 -0.42 -0.12 113.70 118.84 1owi s SER 104 Ca -0.05 0.75 0.32 0.00 0.48 0.00 0.00 55.95 57.44 1owi s SER 104 Cb -0.04 -1.52 1.78 0.00 0.10 0.00 0.00 66.02 66.34 1owi s SER 104 CO -0.13 -1.42 2.11 0.11 0.98 0.00 0.00 173.24 174.89 1owi h LYS 105 N -0.55 0.00 0.00 4.02 1.57 -1.90 0.16 116.57 119.87 1owi h LYS 105 Ca -0.45 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1owi h LYS 105 Cb 1.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 1owi h LYS 105 CO 0.62 0.00 -0.18 0.93 -0.57 0.00 0.00 179.45 180.25 1owi h GLU 106 N 0.00 0.00 0.00 3.15 3.07 -1.98 -3.47 114.58 115.35 1owi h GLU 106 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1owi h GLU 106 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1owi h GLU 106 CO -0.00 0.07 0.00 0.41 -1.40 0.00 0.00 179.01 178.09 1owi n GLY 107 N 1.13 0.66 3.94 -3.84 0.00 0.56 -5.10 105.19 102.53 1owi n GLY 107 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1owi n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1owi s ARG 108 N -0.61 2.94 0.00 1.61 0.52 -1.26 -4.72 118.95 117.43 1owi s ARG 108 Ca 0.00 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 1owi s ARG 108 Cb 0.00 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 33.07 1owi s ARG 108 CO 0.00 -0.53 0.00 0.00 0.02 0.00 0.00 175.30 174.79 1owi s ALA 110 N -3.40 3.50 -0.52 0.00 0.00 0.63 -4.74 121.76 117.23 1owi s ALA 110 Ca 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 51.96 51.97 1owi s ALA 110 Cb 0.00 -2.80 0.12 0.00 0.00 0.00 0.00 23.12 20.44 1owi s ALA 110 CO 0.00 0.29 0.47 -1.14 0.00 0.00 0.00 175.76 175.37 1owi s GLN 111 N -0.83 2.94 0.36 0.00 2.00 -1.26 -4.78 119.66 118.10 1owi s GLN 111 Ca 0.33 -1.66 -0.25 0.00 -2.00 0.00 0.00 55.36 51.78 1owi s GLN 111 Cb -0.20 -4.24 -0.13 0.00 0.80 0.00 0.00 33.01 29.24 1owi s GLN 111 CO 0.21 -1.27 0.80 -2.30 -0.50 0.00 0.00 175.29 172.24 1owi n PRO 112 N 5.21 0.96 -2.60 1.67 -0.02 -1.25 -4.87 135.00 134.09 1owi n PRO 112 Ca -0.13 0.34 -0.06 0.00 -2.02 0.00 0.00 63.50 61.63 1owi n PRO 112 Cb 0.41 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1owi n PRO 112 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1owi n SER 113 N 1.11 -1.00 0.28 2.55 3.41 -0.10 -4.93 113.62 114.93 1owi n SER 113 Ca 0.11 -1.90 0.18 0.00 -0.26 0.00 0.00 58.87 57.00 1owi n SER 113 Cb 0.36 1.73 0.99 0.00 -0.26 0.00 0.00 64.21 67.03 1owi n SER 113 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1owi h ARG 114 N 0.00 0.00 0.00 4.33 2.43 -1.99 -2.44 114.38 116.71 1owi h ARG 114 Ca -0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1owi h ARG 114 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1owi h ARG 114 CO 0.21 0.00 -0.11 0.25 -1.51 0.00 0.00 179.97 178.81 1owi n THR 115 N -2.79 0.66 -3.37 0.20 -2.24 -1.26 -4.86 114.28 100.62 1owi n THR 115 Ca -0.02 -0.74 -0.25 0.00 -2.27 0.00 0.00 64.05 60.77 1owi n THR 115 Cb 0.08 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 68.72 1owi n THR 115 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1owi s ILE 116 N -0.86 0.12 0.45 2.28 1.01 -0.92 -3.60 121.20 119.69 1owi s ILE 116 Ca 0.07 -2.10 0.00 0.00 0.00 0.00 0.00 60.65 58.62 1owi s ILE 116 Cb 0.06 -1.07 -0.00 0.00 0.01 0.00 0.00 42.46 41.45 1owi s ILE 116 CO 0.01 -1.02 0.02 0.00 0.00 0.00 0.00 174.94 173.94 1owi n GLN 117 N 3.34 0.85 -4.36 2.79 1.13 0.67 -0.92 117.38 120.88 1owi n GLN 117 Ca 0.22 -3.34 -0.24 0.00 -1.94 0.00 0.00 57.00 51.70 1owi n GLN 117 Cb 0.45 0.99 -0.09 0.00 0.11 0.00 0.00 30.24 31.71 1owi n GLN 117 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1owi s THR 118 N -2.70 2.71 0.07 5.09 -4.23 -1.26 -3.68 115.64 111.64 1owi s THR 118 Ca 0.02 -2.04 0.09 0.00 -1.18 0.00 0.00 61.69 58.58 1owi s THR 118 Cb 0.00 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 71.09 1owi s THR 118 CO 0.02 -0.26 -0.24 0.27 -0.54 0.00 0.00 174.62 173.86 1owi s ILE 119 N -2.49 2.00 0.09 2.99 -5.25 -1.19 -4.90 121.20 112.45 1owi s ILE 119 Ca 0.33 -1.45 -0.18 0.00 -0.99 0.00 0.00 60.65 58.36 1owi s ILE 119 Cb -0.02 -1.74 -0.07 0.00 2.95 0.00 0.00 42.46 43.58 1owi s ILE 119 CO 0.19 0.21 0.56 0.00 -1.79 0.00 0.00 174.94 174.11 1owi s LEU 121 N -1.35 3.73 0.79 0.00 2.01 -1.26 -1.39 118.68 121.21 1owi s LEU 121 Ca 0.31 1.89 -0.11 0.00 0.01 0.00 0.00 54.13 56.24 1owi s LEU 121 Cb -0.18 -4.55 0.07 0.00 0.01 0.00 0.00 46.19 41.53 1owi s LEU 121 CO 0.19 -0.91 1.09 -2.16 1.01 0.00 0.00 176.35 175.57 1owi s PRO 122 N -3.51 2.14 0.10 1.29 0.04 -1.26 -4.85 135.00 128.95 1owi s PRO 122 Ca 0.66 1.10 -0.06 0.00 0.04 0.00 0.00 61.00 62.74 1owi s PRO 122 Cb -0.16 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1owi s PRO 122 CO 0.25 -1.71 0.36 -1.54 0.04 0.00 0.00 177.00 174.41 1owi s SER 123 N -3.42 6.53 0.11 6.66 1.04 -1.26 -4.74 113.70 118.62 1owi s SER 123 Ca 0.61 0.63 -0.32 0.00 0.48 0.00 0.00 55.95 57.36 1owi s SER 123 Cb -0.17 -2.11 -0.18 0.00 0.10 0.00 0.00 66.02 63.66 1owi s SER 123 CO 0.56 0.13 0.73 0.23 0.98 0.00 0.00 173.24 175.87 1owi n MET 124 N 0.52 0.00 -4.04 4.02 2.81 -1.26 -2.02 117.12 117.15 1owi n MET 124 Ca -0.06 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.52 1owi n MET 124 Cb 0.52 -1.17 -0.01 0.00 -0.71 0.00 0.00 33.22 31.85 1owi n MET 124 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1owi n TYR 125 N 0.61 -1.87 -3.15 2.03 4.02 -1.26 -4.93 117.16 112.61 1owi n TYR 125 Ca 0.18 0.82 -0.13 0.00 -0.01 0.00 0.00 57.90 58.76 1owi n TYR 125 Cb 0.17 -3.51 -0.04 0.00 -0.02 0.00 0.00 39.34 35.94 1owi n TYR 125 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1owi s ASN 126 N -3.65 -0.01 0.12 7.72 3.84 -0.86 -5.13 114.94 116.97 1owi s ASN 126 Ca 0.48 -1.90 0.10 0.00 0.21 0.00 0.00 52.86 51.75 1owi s ASN 126 Cb -0.25 0.95 -0.04 0.00 -0.55 0.00 0.00 41.25 41.36 1owi s ASN 126 CO 0.89 -0.15 -0.23 -1.81 -2.79 0.00 0.00 177.10 173.00 1owi s ASP 127 N 0.95 3.58 0.75 -4.21 -0.00 -1.26 -4.41 116.67 112.06 1owi s ASP 127 Ca 0.25 -0.66 -0.15 0.00 -0.00 0.00 0.00 52.55 51.99 1owi s ASP 127 Cb -0.04 -0.37 0.01 0.00 -0.00 0.00 0.00 42.92 42.52 1owi s ASP 127 CO -0.08 0.18 0.88 -0.81 -0.00 0.00 0.00 175.17 175.34 1owi n PRO 128 N 0.86 0.37 -1.35 8.23 -0.04 -1.26 -4.96 135.00 136.85 1owi n PRO 128 Ca -0.17 0.18 -0.30 0.00 -0.04 0.00 0.00 63.50 63.17 1owi n PRO 128 Cb 0.53 -2.16 0.11 0.00 -0.04 0.00 0.00 33.50 31.94 1owi n PRO 128 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1owi s GLN 129 N -3.35 1.79 0.60 0.54 -2.07 -1.26 -5.00 119.66 110.91 1owi s GLN 129 Ca 0.71 0.83 -0.17 0.00 -1.82 0.00 0.00 55.36 54.90 1owi s GLN 129 Cb -0.33 -1.87 -0.03 0.00 -1.09 0.00 0.00 33.01 29.69 1owi s GLN 129 CO 0.53 -1.87 1.12 -0.59 -1.32 0.00 0.00 175.29 173.16 1owi s PHE 130 N -3.01 2.62 0.00 9.60 -0.12 -1.26 -3.22 117.98 122.59 1owi s PHE 130 Ca 0.62 1.55 0.00 0.00 -0.05 0.00 0.00 56.93 59.05 1owi s PHE 130 Cb -0.16 -3.24 0.00 0.00 -0.63 0.00 0.00 43.02 38.98 1owi s PHE 130 CO 0.56 -1.67 0.00 0.41 -0.05 0.00 0.00 175.22 174.46 1owi n GLY 131 N -0.15 0.81 3.75 1.99 0.00 0.33 -4.93 105.19 106.99 1owi n GLY 131 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1owi n GLY 131 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1owi s THR 132 N -3.17 4.10 0.14 2.61 2.01 -1.20 -4.63 115.64 115.50 1owi s THR 132 Ca 0.00 1.99 -0.26 0.00 0.31 0.00 0.00 61.69 63.73 1owi s THR 132 Cb 0.00 -4.27 -0.07 0.00 0.01 0.00 0.00 72.50 68.17 1owi s THR 132 CO 0.00 0.43 0.80 -0.44 -0.69 0.00 0.00 174.62 174.72 1owi s SER 133 N -0.80 7.39 0.28 3.53 0.01 -1.26 -1.47 113.70 121.38 1owi s SER 133 Ca 0.43 1.64 0.03 0.00 1.31 0.00 0.00 55.95 59.36 1owi s SER 133 Cb -0.26 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.43 1owi s SER 133 CO 0.33 0.15 0.25 0.00 0.41 0.00 0.00 173.24 174.37 1owi s GLU 135 N -3.69 0.91 0.09 0.00 -1.05 -0.52 -0.56 118.70 113.90 1owi s GLU 135 Ca 0.39 -0.53 0.09 0.00 -0.15 0.00 0.00 54.97 54.76 1owi s GLU 135 Cb 0.04 -0.89 -0.04 0.00 -0.44 0.00 0.00 34.13 32.80 1owi s GLU 135 CO 0.21 0.23 -0.22 0.96 0.95 0.00 0.00 175.26 177.40 1owi s ILE 136 N -0.49 2.58 0.05 1.83 -4.36 -0.65 -2.33 121.20 117.83 1owi s ILE 136 Ca 0.03 -1.49 0.04 0.00 -0.26 0.00 0.00 60.65 58.97 1owi s ILE 136 Cb -0.06 -2.13 -0.03 0.00 1.25 0.00 0.00 42.46 41.50 1owi s ILE 136 CO 0.00 0.19 -0.12 -0.89 0.24 0.00 0.00 174.94 174.36 1owi s THR 137 N -1.03 0.93 0.00 8.37 2.01 -1.25 -2.21 115.64 122.47 1owi s THR 137 Ca 0.15 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 61.01 1owi s THR 137 Cb -0.10 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.50 1owi s THR 137 CO 0.07 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.40 1owi n GLY 138 N 1.52 -0.57 1.06 4.40 0.00 -0.62 -4.54 105.19 106.44 1owi n GLY 138 Ca -0.21 -1.15 0.02 0.00 0.00 0.00 0.00 46.02 44.68 1owi n GLY 138 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1owi n PHE 139 N -0.57 1.10 -1.54 1.61 3.72 -1.26 -2.23 117.46 118.29 1owi n PHE 139 Ca 0.00 -1.20 -0.29 0.00 -0.05 0.00 0.00 57.45 55.91 1owi n PHE 139 Cb 0.00 -0.41 0.16 0.00 -0.94 0.00 0.00 39.48 38.29 1owi n PHE 139 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1owi s GLY 140 N -2.13 1.61 0.56 1.37 0.00 -1.26 -4.05 107.32 103.41 1owi s GLY 140 Ca 0.44 -0.69 -0.18 0.00 0.00 0.00 0.00 44.72 44.28 1owi s GLY 140 CO 0.06 -0.06 0.53 0.28 0.00 0.00 0.00 173.10 173.91 1owi n LYS 141 N -3.91 0.52 -0.03 2.90 5.02 -0.35 0.02 118.16 122.33 1owi n LYS 141 Ca 0.09 0.20 -0.09 0.00 -2.02 0.00 0.00 58.31 56.49 1owi n LYS 141 Cb 0.59 -1.69 -0.14 0.00 -0.02 0.00 0.00 35.03 33.77 1owi n LYS 141 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1owi n GLU 142 N -0.01 0.64 -3.93 1.97 1.02 -1.21 -0.16 120.64 118.96 1owi n GLU 142 Ca 0.12 0.25 -0.10 0.00 -0.02 0.00 0.00 57.16 57.40 1owi n GLU 142 Cb 0.47 -1.75 -0.11 0.00 -0.02 0.00 0.00 31.44 30.04 1owi n GLU 142 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1owi s ASN 143 N -6.01 0.14 0.30 1.62 -0.87 -1.26 -4.09 114.94 104.77 1owi s ASN 143 Ca -0.06 -0.34 0.25 0.00 -1.57 0.00 0.00 52.86 51.14 1owi s ASN 143 Cb 0.08 0.14 1.03 0.00 -0.02 0.00 0.00 41.25 42.47 1owi s ASN 143 CO 0.82 -0.30 1.76 0.28 -2.57 0.00 0.00 177.10 177.09 1owi h SER 144 N 4.65 0.00 0.39 -1.22 0.02 -1.91 -2.80 113.55 112.68 1owi h SER 144 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1owi h SER 144 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1owi h SER 144 CO 0.41 0.00 -0.33 0.35 -1.14 0.00 0.00 176.83 176.12 1owi n THR 145 N -2.37 0.00 -1.96 -2.27 -2.24 -1.26 -4.92 114.28 99.25 1owi n THR 145 Ca 0.02 -0.06 -0.29 0.00 -2.27 0.00 0.00 64.05 61.45 1owi n THR 145 Cb 0.25 0.25 0.13 0.00 -2.10 0.00 0.00 70.33 68.86 1owi n THR 145 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1owi s ASP 146 N -2.72 3.96 0.00 3.42 -0.00 -1.06 -5.02 116.67 115.25 1owi s ASP 146 Ca 0.19 0.50 0.00 0.00 -0.00 0.00 0.00 52.55 53.24 1owi s ASP 146 Cb 0.19 -0.82 0.00 0.00 -0.00 0.00 0.00 42.92 42.28 1owi s ASP 146 CO 0.59 -2.22 0.00 0.00 -0.00 0.00 0.00 175.17 173.54 1owi n TYR 147 N -3.45 0.00 -4.04 4.23 4.11 -1.26 -5.03 117.16 111.72 1owi n TYR 147 Ca 0.11 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.69 1owi n TYR 147 Cb 0.60 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.88 1owi n TYR 147 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1owi s LEU 148 N -1.02 4.00 0.32 -3.48 1.43 -1.26 -5.10 118.68 113.56 1owi s LEU 148 Ca 0.00 0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 53.12 1owi s LEU 148 Cb 0.00 -2.45 -0.08 0.00 0.03 0.00 0.00 46.19 43.68 1owi s LEU 148 CO 0.00 0.24 0.71 -0.31 0.23 0.00 0.00 176.35 177.22 1owi s TYR 149 N -1.30 3.39 0.65 0.29 4.12 -1.26 -4.77 117.35 118.47 1owi s TYR 149 Ca 0.26 1.15 -0.18 0.00 0.02 0.00 0.00 57.07 58.33 1owi s TYR 149 Cb -0.12 -2.48 -0.02 0.00 -1.52 0.00 0.00 41.96 37.81 1owi s TYR 149 CO 0.18 0.10 1.13 -0.35 0.02 0.00 0.00 175.55 176.64 1owi n PRO 150 N -0.42 0.94 0.22 -1.71 -0.04 -1.26 -4.89 135.00 127.83 1owi n PRO 150 Ca 0.03 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 63.98 1owi n PRO 150 Cb 0.53 -2.36 0.23 0.00 -0.04 0.00 0.00 33.50 31.86 1owi n PRO 150 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1owi h GLU 151 N 0.38 0.00 -6.83 0.54 4.57 -1.95 -3.44 114.58 107.84 1owi h GLU 151 Ca -0.50 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.00 1owi h GLU 151 Cb 1.35 0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 29.73 1owi h GLU 151 CO 0.51 0.06 -0.85 -1.14 -1.18 0.00 0.00 179.01 176.42 1owi s GLN 152 N -3.26 1.49 0.52 1.92 0.74 -1.26 -2.23 119.66 117.58 1owi s GLN 152 Ca 0.06 -1.34 -0.22 0.00 0.05 0.00 0.00 55.36 53.90 1owi s GLN 152 Cb 0.06 -1.93 -0.06 0.00 1.10 0.00 0.00 33.01 32.18 1owi s GLN 152 CO 0.66 0.45 1.33 -1.17 -0.55 0.00 0.00 175.29 176.01 1owi s LEU 153 N -2.17 3.90 0.22 3.68 2.96 -1.12 -4.87 118.68 121.28 1owi s LEU 153 Ca 0.16 2.70 0.02 0.00 -0.22 0.00 0.00 54.13 56.79 1owi s LEU 153 Cb -0.10 -4.24 -0.05 0.00 0.50 0.00 0.00 46.19 42.30 1owi s LEU 153 CO 0.07 -1.43 0.02 -0.54 -1.32 0.00 0.00 176.35 173.16 1owi s LYS 154 N -2.83 1.27 -0.08 1.98 1.02 -0.95 -0.51 119.74 119.64 1owi s LYS 154 Ca 0.69 -1.65 -0.30 0.00 0.02 0.00 0.00 55.97 54.73 1owi s LYS 154 Cb -0.39 -0.42 0.09 0.00 -0.52 0.00 0.00 37.83 36.59 1owi s LYS 154 CO 0.46 -0.15 0.79 0.00 -0.92 0.00 0.00 175.35 175.53 1owi s MET 155 N -3.92 0.90 0.21 1.68 0.23 -0.49 -1.60 119.30 116.32 1owi s MET 155 Ca 0.29 0.20 -0.06 0.00 -1.03 0.00 0.00 55.69 55.08 1owi s MET 155 Cb 0.06 0.42 -0.02 0.00 -1.53 0.00 0.00 34.83 33.76 1owi s MET 155 CO 0.08 -0.28 0.27 -0.08 -2.03 0.00 0.00 175.02 172.98 1owi s THR 156 N -1.24 0.01 -0.03 3.16 -1.32 -0.94 -0.54 115.64 114.74 1owi s THR 156 Ca -0.07 -1.72 0.04 0.00 -1.21 0.00 0.00 61.69 58.73 1owi s THR 156 Cb -0.00 -2.30 -0.03 0.00 -1.51 0.00 0.00 72.50 68.66 1owi s THR 156 CO 0.06 -0.05 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.58 1owi s VAL 157 N -4.08 3.02 0.38 5.08 1.01 -1.26 -1.63 120.40 122.92 1owi s VAL 157 Ca 0.30 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.54 1owi s VAL 157 Cb 0.04 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1owi s VAL 157 CO 0.09 0.55 0.21 0.68 0.00 0.00 0.00 175.10 176.63 1owi s VAL 158 N -0.77 0.28 0.18 2.92 -7.23 0.28 -4.87 120.40 111.19 1owi s VAL 158 Ca 0.12 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.39 1owi s VAL 158 Cb -0.11 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 1owi s VAL 158 CO 0.01 0.00 -0.22 -0.54 -0.31 0.00 0.00 175.10 174.05 1owi s LYS 159 N -3.56 1.40 0.04 4.82 -0.14 -1.07 -0.71 119.74 120.52 1owi s LYS 159 Ca 0.31 -1.46 -0.23 0.00 -1.36 0.00 0.00 55.97 53.23 1owi s LYS 159 Cb 0.02 -1.63 -0.06 0.00 -1.68 0.00 0.00 37.83 34.49 1owi s LYS 159 CO 0.21 0.35 0.68 -0.51 -0.76 0.00 0.00 175.35 175.31 1owi s LEU 160 N -2.63 4.46 -0.18 3.17 1.43 -0.54 -0.53 118.68 123.86 1owi s LEU 160 Ca 0.18 1.33 -0.03 0.00 -1.03 0.00 0.00 54.13 54.57 1owi s LEU 160 Cb -0.07 -3.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.06 1owi s LEU 160 CO 0.08 0.09 -0.05 -0.63 0.23 0.00 0.00 176.35 176.07 1owi s ILE 161 N -0.31 3.56 0.83 -0.59 1.01 0.08 0.12 121.20 125.89 1owi s ILE 161 Ca 0.34 -0.46 -0.15 0.00 0.00 0.00 0.00 60.65 60.39 1owi s ILE 161 Cb -0.20 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 1owi s ILE 161 CO 0.20 0.47 0.44 -1.54 0.00 0.00 0.00 174.94 174.51 1owi n SER 162 N 4.06 -1.72 -0.17 3.58 3.41 -1.26 -4.02 113.62 117.50 1owi n SER 162 Ca -0.18 0.47 -0.08 0.00 -0.26 0.00 0.00 58.87 58.82 1owi n SER 162 Cb 0.52 -1.20 0.01 0.00 -0.26 0.00 0.00 64.21 63.28 1owi n SER 162 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1owi h HIS 163 N -0.88 0.72 -0.37 7.33 2.76 -1.97 -1.53 115.15 121.21 1owi h HIS 163 Ca -0.45 -0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 57.56 1owi h HIS 163 Cb 1.32 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 30.04 1owi h HIS 163 CO 0.36 0.57 -0.31 0.07 -1.30 0.00 0.00 177.93 177.32 1owi h ARG 164 N 0.67 0.80 -0.09 5.26 0.11 -1.98 -1.83 114.38 117.33 1owi h ARG 164 Ca 0.17 -0.37 -0.06 0.00 0.10 0.00 0.00 59.98 59.82 1owi h ARG 164 Cb 0.11 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1owi h ARG 164 CO -0.02 1.00 -0.21 1.49 0.10 0.00 0.00 179.97 182.34 1owi h GLU 165 N 0.68 0.14 0.00 0.08 4.81 -1.88 -2.42 114.58 115.99 1owi h GLU 165 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1owi h GLU 165 Cb 0.85 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1owi h GLU 165 CO 0.07 0.35 -0.11 0.00 -0.73 0.00 0.00 179.01 178.59 1owi n GLN 167 N -2.92 1.82 -1.24 0.00 6.02 -0.71 -1.70 117.38 118.63 1owi n GLN 167 Ca 0.04 -1.21 -0.32 0.00 -0.01 0.00 0.00 57.00 55.49 1owi n GLN 167 Cb 0.52 -1.44 0.10 0.00 1.02 0.00 0.00 30.24 30.44 1owi n GLN 167 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1owi s GLN 168 N -1.85 1.97 0.17 -1.09 -1.52 -1.15 -3.57 119.66 112.62 1owi s GLN 168 Ca 0.34 1.49 -0.16 0.00 -1.95 0.00 0.00 55.36 55.09 1owi s GLN 168 Cb 0.19 -1.84 0.10 0.00 -0.22 0.00 0.00 33.01 31.25 1owi s GLN 168 CO 0.29 -1.91 1.70 -1.00 -0.25 0.00 0.00 175.29 174.12 1owi h PRO 169 N -0.88 0.10 0.00 2.91 0.13 -1.93 -2.28 132.00 130.05 1owi h PRO 169 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1owi h PRO 169 Cb 1.26 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1owi h PRO 169 CO 0.49 0.06 0.00 0.72 -0.23 0.00 0.00 178.00 179.04 1owi n HIS 170 N -5.20 0.00 0.00 1.56 8.25 -1.26 -4.38 115.22 114.19 1owi n HIS 170 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1owi n HIS 170 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 1owi n HIS 170 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1owi n TYR 171 N -0.61 0.00 -0.90 4.41 4.02 -0.89 -4.77 117.16 118.43 1owi n TYR 171 Ca 0.03 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.95 1owi n TYR 171 Cb 0.01 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.37 1owi n TYR 171 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1owi n TYR 172 N 0.00 0.00 0.00 -0.72 4.01 -0.69 -4.93 117.16 114.83 1owi n TYR 172 Ca 0.00 -0.43 0.00 0.00 -0.16 0.00 0.00 57.90 57.31 1owi n TYR 172 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 1owi n TYR 172 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1owi n GLY 173 N -0.55 0.96 0.09 2.72 0.00 -1.03 -0.67 105.19 106.69 1owi n GLY 173 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1owi n GLY 173 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1owi n SER 174 N -2.43 0.16 0.10 1.61 7.64 -1.26 -3.33 113.62 116.10 1owi n SER 174 Ca 0.00 -1.83 -0.17 0.00 1.01 0.00 0.00 58.87 57.88 1owi n SER 174 Cb 0.00 -0.08 -0.11 0.00 -1.01 0.00 0.00 64.21 63.01 1owi n SER 174 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1owi h GLU 175 N 0.01 0.38 -5.84 1.43 5.08 -1.29 -3.42 114.58 110.94 1owi h GLU 175 Ca 0.00 -0.54 -0.58 0.00 -1.00 0.00 0.00 59.36 57.24 1owi h GLU 175 Cb 0.08 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.44 1owi h GLU 175 CO 0.00 1.22 0.23 0.54 -1.00 0.00 0.00 179.01 180.00 1owi s VAL 176 N -2.89 4.96 0.46 3.13 0.11 -1.14 -4.83 120.40 120.20 1owi s VAL 176 Ca -0.06 1.42 0.07 0.00 -2.93 0.00 0.00 61.98 60.49 1owi s VAL 176 Cb 0.07 -4.04 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 1owi s VAL 176 CO 0.89 0.10 0.41 0.42 -3.33 0.00 0.00 175.10 173.59 1owi s THR 177 N 1.84 2.35 -2.00 5.04 -4.23 -1.26 -4.90 115.64 112.48 1owi s THR 177 Ca 0.34 -1.37 0.13 0.00 -1.18 0.00 0.00 61.69 59.62 1owi s THR 177 Cb -0.16 -2.72 0.38 0.00 1.34 0.00 0.00 72.50 71.34 1owi s THR 177 CO 0.12 0.00 1.22 0.35 -0.54 0.00 0.00 174.62 175.78 1owi n THR 178 N -1.65 0.00 -1.24 3.99 -2.24 -1.26 -2.66 114.28 109.23 1owi n THR 178 Ca 0.03 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.70 1owi n THR 178 Cb 0.62 -0.64 0.22 0.00 -2.10 0.00 0.00 70.33 68.44 1owi n THR 178 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1owi n LYS 179 N -0.90 2.54 -3.84 -0.78 5.02 -1.26 -4.92 118.16 114.03 1owi n LYS 179 Ca 0.10 -3.07 -0.12 0.00 -2.02 0.00 0.00 58.31 53.20 1owi n LYS 179 Cb 0.05 -2.05 -0.10 0.00 -0.02 0.00 0.00 35.03 32.91 1owi n LYS 179 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1owi s MET 180 N -3.17 0.50 -0.04 1.97 -1.94 -1.09 -2.71 119.30 112.82 1owi s MET 180 Ca 0.52 -0.26 0.07 0.00 -1.71 0.00 0.00 55.69 54.30 1owi s MET 180 Cb 0.44 0.21 -0.02 0.00 2.01 0.00 0.00 34.83 37.47 1owi s MET 180 CO 0.08 -0.12 -0.23 -0.51 -0.01 0.00 0.00 175.02 174.23 1owi s LEU 181 N -1.18 2.21 0.03 -0.03 1.43 -0.35 -4.84 118.68 115.95 1owi s LEU 181 Ca -0.13 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1owi s LEU 181 Cb -0.06 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1owi s LEU 181 CO 0.02 0.31 0.20 0.00 0.23 0.00 0.00 176.35 177.11 1owi s ALA 183 N -1.44 -1.80 0.07 0.00 0.00 -0.44 -0.74 121.76 117.41 1owi s ALA 183 Ca 0.32 2.12 -0.27 0.00 0.00 0.00 0.00 51.96 54.13 1owi s ALA 183 Cb -0.13 -1.24 0.09 0.00 0.00 0.00 0.00 23.12 21.84 1owi s ALA 183 CO 0.24 -0.35 1.04 0.00 0.00 0.00 0.00 175.76 176.70 1owi s ALA 184 N 0.67 -1.84 -0.03 0.00 0.00 0.31 -0.27 121.76 120.59 1owi s ALA 184 Ca -0.02 0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 1owi s ALA 184 Cb -0.05 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1owi s ALA 184 CO -0.04 -0.97 1.09 0.34 0.00 0.00 0.00 175.76 176.18 1owi s ASP 185 N -2.85 7.19 0.65 0.00 3.68 -1.26 -2.59 116.67 121.48 1owi s ASP 185 Ca 0.12 1.74 0.36 0.00 2.13 0.00 0.00 52.55 56.90 1owi s ASP 185 Cb 0.00 -2.56 2.00 0.00 -1.45 0.00 0.00 42.92 40.91 1owi s ASP 185 CO -0.01 -0.44 2.18 -0.65 0.13 0.00 0.00 175.17 176.37 1owi h PRO 186 N 7.06 0.00 -0.20 4.34 0.11 -1.95 0.22 132.00 141.57 1owi h PRO 186 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1owi h PRO 186 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1owi h PRO 186 CO 0.83 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.66 1owi n GLN 187 N -3.23 1.84 -3.58 1.05 1.13 -1.26 -5.00 117.38 108.33 1owi n GLN 187 Ca -0.02 -1.78 -0.26 0.00 -1.94 0.00 0.00 57.00 53.00 1owi n GLN 187 Cb 0.22 -1.34 -0.00 0.00 0.11 0.00 0.00 30.24 29.23 1owi n GLN 187 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 1owi n TRP 188 N 0.93 -1.86 0.21 1.08 7.02 0.06 -4.85 117.44 120.03 1owi n TRP 188 Ca 0.12 0.59 0.11 0.00 -1.02 0.00 0.00 57.50 57.30 1owi n TRP 188 Cb 0.44 -3.14 -0.16 0.00 -2.42 0.00 0.00 31.31 26.04 1owi n TRP 188 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1owi n LYS 189 N -3.98 0.53 -4.11 -0.99 4.76 -1.26 -4.60 118.16 108.51 1owi n LYS 189 Ca 0.01 -0.15 -0.14 0.00 -2.87 0.00 0.00 58.31 55.15 1owi n LYS 189 Cb 0.53 -1.51 -0.11 0.00 -1.84 0.00 0.00 35.03 32.10 1owi n LYS 189 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1owi s THR 190 N -3.39 0.74 -0.29 -0.18 -1.32 -1.26 -4.29 115.64 105.65 1owi s THR 190 Ca -0.04 -1.27 -0.38 0.00 -1.21 0.00 0.00 61.69 58.78 1owi s THR 190 Cb 0.14 -0.89 0.16 0.00 -1.51 0.00 0.00 72.50 70.40 1owi s THR 190 CO 0.89 -0.41 1.38 -0.62 -2.21 0.00 0.00 174.62 173.65 1owi s ASP 191 N -1.84 -0.02 1.13 8.08 2.15 -1.09 -4.13 116.67 120.94 1owi s ASP 191 Ca -0.04 0.00 -0.18 0.00 0.43 0.00 0.00 52.55 52.75 1owi s ASP 191 Cb -0.08 0.02 0.26 0.00 -0.30 0.00 0.00 42.92 42.82 1owi s ASP 191 CO 0.00 -0.03 1.17 -0.94 -0.17 0.00 0.00 175.17 175.21 1owi s SER 192 N -1.99 1.62 0.17 -0.34 1.04 -1.26 -0.83 113.70 112.11 1owi s SER 192 Ca 0.12 0.53 -0.23 0.00 0.48 0.00 0.00 55.95 56.84 1owi s SER 192 Cb -0.01 -0.72 0.07 0.00 0.10 0.00 0.00 66.02 65.46 1owi s SER 192 CO -0.03 -3.68 1.01 0.00 0.98 0.00 0.00 173.24 171.52 1owi n GLN 194 N -0.60 0.81 0.00 0.00 7.27 -1.26 -0.76 117.38 122.84 1owi n GLN 194 Ca -0.05 0.29 0.00 0.00 0.07 0.00 0.00 57.00 57.32 1owi n GLN 194 Cb 0.60 -1.88 0.00 0.00 2.41 0.00 0.00 30.24 31.37 1owi n GLN 194 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1owi n GLY 195 N 2.20 2.51 0.09 1.69 0.00 -1.26 -1.21 105.19 109.21 1owi n GLY 195 Ca 0.19 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.55 1owi n GLY 195 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1owi n ASP 196 N 0.18 0.57 -4.43 1.61 8.00 0.06 -4.11 116.55 118.43 1owi n ASP 196 Ca 0.00 -0.40 -0.48 0.00 0.71 0.00 0.00 54.79 54.62 1owi n ASP 196 Cb 0.00 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 1owi n ASP 196 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1owi n SER 197 N -1.14 -0.89 -0.41 -2.24 7.64 -1.26 -1.00 113.62 114.32 1owi n SER 197 Ca 0.10 1.14 -0.05 0.00 1.01 0.00 0.00 58.87 61.06 1owi n SER 197 Cb 0.33 -1.00 -0.02 0.00 -1.01 0.00 0.00 64.21 62.51 1owi n SER 197 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1owi n GLY 198 N 1.89 0.75 3.83 0.23 0.00 0.15 -2.81 105.19 109.23 1owi n GLY 198 Ca 0.17 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1owi n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1owi s GLY 199 N -2.51 2.01 0.03 -0.02 0.00 -0.17 -3.65 107.32 103.01 1owi s GLY 199 Ca 0.00 0.20 -0.30 0.00 0.00 0.00 0.00 44.72 44.61 1owi s GLY 199 CO 0.00 0.49 1.35 2.56 0.00 0.00 0.00 173.10 177.49 1owi s PRO 200 N -4.25 4.32 -0.59 2.90 0.04 -1.26 -1.83 135.00 134.34 1owi s PRO 200 Ca 0.60 1.93 -0.06 0.00 0.04 0.00 0.00 61.00 63.50 1owi s PRO 200 Cb -0.12 -3.47 0.15 0.00 0.04 0.00 0.00 34.50 31.11 1owi s PRO 200 CO 0.36 -0.48 0.43 -1.17 0.04 0.00 0.00 177.00 176.18 1owi s LEU 201 N 1.90 5.59 -0.13 -3.56 2.96 -0.31 -3.77 118.68 121.36 1owi s LEU 201 Ca 0.62 -2.49 -0.19 0.00 -0.22 0.00 0.00 54.13 51.86 1owi s LEU 201 Cb -0.32 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 1owi s LEU 201 CO 0.27 -0.50 0.52 -0.69 -1.32 0.00 0.00 176.35 174.63 1owi s VAL 202 N 0.49 5.15 -0.08 1.68 1.01 -0.99 -0.94 120.40 126.72 1owi s VAL 202 Ca 0.13 1.03 0.03 0.00 0.00 0.00 0.00 61.98 63.17 1owi s VAL 202 Cb -0.20 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.33 1owi s VAL 202 CO -0.04 0.28 -0.16 0.00 0.00 0.00 0.00 175.10 175.19 1owi s SER 204 N 0.64 6.18 -0.28 0.00 0.15 -1.26 -0.82 113.70 118.31 1owi s SER 204 Ca -0.14 -0.53 -0.09 0.00 0.70 0.00 0.00 55.95 55.88 1owi s SER 204 Cb -0.16 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.56 1owi s SER 204 CO 0.04 -1.82 0.13 -0.22 1.20 0.00 0.00 173.24 172.58 1owi s LEU 205 N 5.70 3.81 -1.33 3.45 2.96 -0.89 -4.52 118.68 127.87 1owi s LEU 205 Ca 0.36 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1owi s LEU 205 Cb -0.07 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.60 1owi s LEU 205 CO 0.13 -0.08 0.00 0.00 -1.32 0.00 0.00 176.35 175.08 1owi n GLN 206 N 4.99 -1.92 0.00 1.98 6.02 -1.26 -2.06 117.38 125.13 1owi n GLN 206 Ca -0.15 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 1owi n GLN 206 Cb 0.51 -5.30 0.00 0.00 1.02 0.00 0.00 30.24 26.47 1owi n GLN 206 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1owi n GLY 207 N -0.75 1.86 3.59 1.08 0.00 -1.26 -5.08 105.19 104.64 1owi n GLY 207 Ca -0.17 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 1owi n GLY 207 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1owi s ARG 208 N 0.00 3.91 -0.11 1.61 6.06 -0.88 -5.05 118.95 124.50 1owi s ARG 208 Ca 0.00 -0.36 -0.34 0.00 -2.50 0.00 0.00 55.73 52.53 1owi s ARG 208 Cb 0.00 -3.32 -0.11 0.00 0.06 0.00 0.00 34.95 31.58 1owi s ARG 208 CO 0.00 0.10 1.92 -1.33 -2.50 0.00 0.00 175.30 173.49 1owi n MET 209 N 4.08 2.13 -4.80 5.12 2.81 -1.26 -2.09 117.12 123.11 1owi n MET 209 Ca -0.16 0.77 -0.26 0.00 -1.81 0.00 0.00 57.70 56.24 1owi n MET 209 Cb 0.52 -2.67 -0.15 0.00 -0.71 0.00 0.00 33.22 30.22 1owi n MET 209 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1owi s THR 210 N 4.44 1.68 -0.92 2.03 2.01 -0.00 -4.23 115.64 120.64 1owi s THR 210 Ca 0.94 -1.09 -0.22 0.00 0.31 0.00 0.00 61.69 61.62 1owi s THR 210 Cb -0.68 -1.43 0.07 0.00 0.01 0.00 0.00 72.50 70.46 1owi s THR 210 CO 0.51 0.31 1.30 -0.22 -0.69 0.00 0.00 174.62 175.83 1owi s LEU 211 N -0.92 3.91 0.10 4.42 2.96 -0.48 -0.51 118.68 128.16 1owi s LEU 211 Ca 0.08 -1.41 0.14 0.00 -0.22 0.00 0.00 54.13 52.72 1owi s LEU 211 Cb -0.09 -2.51 -0.12 0.00 0.50 0.00 0.00 46.19 43.97 1owi s LEU 211 CO 0.01 -1.44 1.00 0.74 -1.32 0.00 0.00 176.35 175.34 1owi h THR 212 N 6.38 0.85 -3.32 3.68 2.02 -1.35 -3.35 112.91 117.81 1owi h THR 212 Ca 0.07 -2.42 -0.05 0.00 0.77 0.00 0.00 66.41 64.79 1owi h THR 212 Cb 1.02 2.33 -0.13 0.00 -1.74 0.00 0.00 68.15 69.64 1owi h THR 212 CO 1.31 0.48 -0.02 -0.83 0.37 0.00 0.00 175.52 176.83 1owi s GLY 213 N -4.77 -0.32 -0.06 2.16 0.00 -1.14 -3.01 107.32 100.17 1owi s GLY 213 Ca -0.01 0.03 0.02 0.00 0.00 0.00 0.00 44.72 44.77 1owi s GLY 213 CO 0.80 -0.23 -0.12 -0.42 0.00 0.00 0.00 173.10 173.13 1owi s ILE 214 N -3.80 3.26 0.03 0.90 1.01 -1.18 -1.16 121.20 120.25 1owi s ILE 214 Ca 0.03 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 1owi s ILE 214 Cb 0.01 -2.30 -0.08 0.00 0.01 0.00 0.00 42.46 40.10 1owi s ILE 214 CO -0.12 0.59 1.82 -0.69 0.00 0.00 0.00 174.94 176.54 1owi s VAL 215 N -0.64 3.10 0.02 2.92 1.01 -0.76 -1.45 120.40 124.61 1owi s VAL 215 Ca 0.09 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.33 1owi s VAL 215 Cb -0.11 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 1owi s VAL 215 CO 0.01 -0.02 -0.03 -0.24 0.00 0.00 0.00 175.10 174.83 1owi n SER 216 N 6.91 0.56 -3.74 3.32 2.88 -1.00 0.33 113.62 122.88 1owi n SER 216 Ca 0.18 0.08 -0.09 0.00 -1.33 0.00 0.00 58.87 57.71 1owi n SER 216 Cb 0.41 -0.23 -0.03 0.00 -0.75 0.00 0.00 64.21 63.62 1owi n SER 216 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1owi s TRP 217 N -1.51 -0.20 -0.24 0.66 1.48 -1.20 -4.90 118.94 113.04 1owi s TRP 217 Ca -0.02 -0.17 -0.33 0.00 -1.06 0.00 0.00 56.10 54.53 1owi s TRP 217 Cb 0.00 0.54 0.16 0.00 -1.16 0.00 0.00 33.47 33.01 1owi s TRP 217 CO 0.03 -1.04 1.26 0.20 -4.06 0.00 0.00 176.95 173.35 1owi s GLY 218 N -2.88 -0.13 -0.35 3.67 0.00 -1.26 -0.53 107.32 105.85 1owi s GLY 218 Ca 0.09 2.18 -0.28 0.00 0.00 0.00 0.00 44.72 46.72 1owi s GLY 218 CO -0.00 0.84 1.01 -1.60 0.00 0.00 0.00 173.10 173.35 1owi s ARG 219 N -1.65 3.95 4.59 2.90 6.06 -1.26 -4.86 118.95 128.69 1owi s ARG 219 Ca 0.08 0.82 0.00 0.00 -2.50 0.00 0.00 55.73 54.13 1owi s ARG 219 Cb -0.01 -3.78 0.00 0.00 0.06 0.00 0.00 34.95 31.23 1owi s ARG 219 CO -0.05 -0.95 0.00 0.41 -2.50 0.00 0.00 175.30 172.21 1owi n GLY 220 N 4.16 1.46 3.18 8.12 0.00 -1.26 -4.60 105.19 116.25 1owi n GLY 220 Ca 0.10 -0.63 -0.07 0.00 0.00 0.00 0.00 46.02 45.41 1owi n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1owi n ALA 222 N 5.39 -0.17 -2.30 0.00 0.00 -1.26 -4.91 120.51 117.25 1owi n ALA 222 Ca -0.07 0.10 -0.36 0.00 0.00 0.00 0.00 53.44 53.11 1owi n ALA 222 Cb 0.50 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 1owi n ALA 222 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1owi s LEU 223 N -2.05 4.40 0.13 0.00 1.43 -1.26 -4.55 118.68 116.78 1owi s LEU 223 Ca 0.00 1.17 -0.35 0.00 -1.03 0.00 0.00 54.13 53.93 1owi s LEU 223 Cb 0.00 -3.18 -0.15 0.00 0.03 0.00 0.00 46.19 42.89 1owi s LEU 223 CO 0.00 0.15 1.45 1.17 0.23 0.00 0.00 176.35 179.35 1owi n LYS 224 N 1.10 1.67 -2.02 1.70 4.81 -1.26 -1.71 118.16 122.45 1owi n LYS 224 Ca -0.07 0.60 -0.20 0.00 -0.87 0.00 0.00 58.31 57.78 1owi n LYS 224 Cb 0.51 -2.30 -0.04 0.00 0.02 0.00 0.00 35.03 33.22 1owi n LYS 224 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1owi n ASP 225 N 2.92 -5.53 -3.26 3.14 8.00 -1.26 -4.93 116.55 115.63 1owi n ASP 225 Ca 0.17 0.21 -0.25 0.00 0.71 0.00 0.00 54.79 55.63 1owi n ASP 225 Cb 0.24 -4.65 -0.07 0.00 -0.02 0.00 0.00 41.12 36.63 1owi n ASP 225 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1owi n LYS 226 N -2.69 1.89 -0.77 -1.24 4.76 -0.69 -4.30 118.16 115.12 1owi n LYS 226 Ca -0.22 -4.11 -0.33 0.00 -2.87 0.00 0.00 58.31 50.79 1owi n LYS 226 Cb 0.66 -1.86 0.13 0.00 -1.84 0.00 0.00 35.03 32.12 1owi n LYS 226 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1owi n PRO 227 N 0.83 -0.45 -3.19 1.97 -0.02 -1.26 -4.57 135.00 128.31 1owi n PRO 227 Ca 0.27 -0.09 -0.39 0.00 -2.02 0.00 0.00 63.50 61.27 1owi n PRO 227 Cb 0.47 -1.88 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 1owi n PRO 227 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1owi s GLY 228 N -2.05 2.26 0.27 -1.23 0.00 0.63 -4.58 107.32 102.62 1owi s GLY 228 Ca 0.58 -0.20 -0.09 0.00 0.00 0.00 0.00 44.72 45.01 1owi s GLY 228 CO 0.67 1.08 0.60 0.14 0.00 0.00 0.00 173.10 175.59 1owi s VAL 229 N 1.28 4.91 0.10 1.40 1.01 0.31 -1.33 120.40 128.07 1owi s VAL 229 Ca 0.29 0.45 -0.06 0.00 0.00 0.00 0.00 61.98 62.66 1owi s VAL 229 Cb -0.16 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1owi s VAL 229 CO 0.12 -0.20 0.13 -0.31 0.00 0.00 0.00 175.10 174.84 1owi s TYR 230 N -1.96 0.40 -0.06 5.22 2.02 -0.21 -2.37 117.35 120.38 1owi s TYR 230 Ca 0.48 -0.84 -0.26 0.00 -0.37 0.00 0.00 57.07 56.08 1owi s TYR 230 Cb -0.11 -0.21 -0.03 0.00 -0.40 0.00 0.00 41.96 41.22 1owi s TYR 230 CO 0.24 -0.53 0.84 0.99 -1.57 0.00 0.00 175.55 175.51 1owi s THR 231 N -3.92 4.95 -0.96 -0.71 2.01 -0.53 -1.21 115.64 115.27 1owi s THR 231 Ca 0.11 1.72 -0.24 0.00 0.31 0.00 0.00 61.69 63.59 1owi s THR 231 Cb 0.06 -4.17 0.04 0.00 0.01 0.00 0.00 72.50 68.44 1owi s THR 231 CO -0.07 0.18 1.44 -0.60 -0.69 0.00 0.00 174.62 174.88 1owi s ARG 232 N 1.12 3.45 0.28 4.92 3.52 -1.10 -3.11 118.95 128.03 1owi s ARG 232 Ca 0.43 -0.89 0.00 0.00 -0.13 0.00 0.00 55.73 55.15 1owi s ARG 232 Cb -0.19 -5.11 0.64 0.00 -1.56 0.00 0.00 34.95 28.73 1owi s ARG 232 CO 0.21 -2.26 1.67 0.28 -0.81 0.00 0.00 175.30 174.39 1owi h VAL 233 N 6.67 0.42 -1.02 7.11 2.07 -1.85 -1.29 116.25 128.37 1owi h VAL 233 Ca 0.10 -0.10 0.26 0.00 0.82 0.00 0.00 66.70 67.78 1owi h VAL 233 Cb 1.02 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 1owi h VAL 233 CO 1.39 0.05 0.67 0.77 0.02 0.00 0.00 177.57 180.47 1owi h SER 234 N 0.29 0.35 -0.45 0.57 4.64 -1.85 -0.04 113.55 117.06 1owi h SER 234 Ca 0.51 0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.75 1owi h SER 234 Cb 0.97 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1owi h SER 234 CO -0.57 0.09 -0.28 -0.74 -0.87 0.00 0.00 176.83 174.45 1owi h HIS 235 N 0.32 1.15 -0.21 4.77 6.17 -1.63 -3.18 115.15 122.53 1owi h HIS 235 Ca 0.55 -0.30 -0.04 0.00 0.71 0.00 0.00 60.37 61.29 1owi h HIS 235 Cb 1.54 -0.26 -0.02 0.00 2.52 0.00 0.00 27.41 31.19 1owi h HIS 235 CO -0.00 1.14 0.05 1.19 0.71 0.00 0.00 177.93 181.01 1owi n PHE 236 N -4.09 0.71 -0.08 5.26 3.01 -0.04 -4.41 117.46 117.83 1owi n PHE 236 Ca -0.01 -0.39 -0.10 0.00 1.01 0.00 0.00 57.45 57.96 1owi n PHE 236 Cb 0.49 -0.29 -0.04 0.00 -0.01 0.00 0.00 39.48 39.64 1owi n PHE 236 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1owi h LEU 237 N 1.17 0.36 -0.97 4.37 3.38 -1.52 -0.72 115.31 121.38 1owi h LEU 237 Ca 0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1owi h LEU 237 Cb 1.11 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1owi h LEU 237 CO 0.20 0.45 0.33 -0.65 0.09 0.00 0.00 178.44 178.85 1owi h PRO 238 N 0.25 1.07 -0.05 1.13 0.11 -1.87 -0.78 132.00 131.86 1owi h PRO 238 Ca 0.08 -0.16 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 1owi h PRO 238 Cb 0.21 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 1owi h PRO 238 CO -0.00 0.84 0.03 2.35 -0.21 0.00 0.00 178.00 181.01 1owi h TRP 239 N 1.05 0.06 -0.30 0.65 7.01 -1.83 -1.88 115.95 120.71 1owi h TRP 239 Ca 0.25 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.25 1owi h TRP 239 Cb 0.15 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 1owi h TRP 239 CO 0.01 0.07 0.18 0.82 -2.79 0.00 0.00 178.44 176.74 1owi h ILE 240 N 0.03 1.10 0.30 2.65 2.04 -0.88 -2.43 117.51 120.33 1owi h ILE 240 Ca 0.02 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1owi h ILE 240 Cb 0.03 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1owi h ILE 240 CO -0.00 0.10 -0.36 -0.09 0.00 0.00 0.00 178.15 177.80 1owi h ARG 241 N 0.39 -0.68 0.00 2.37 2.43 -0.99 -2.86 114.38 115.04 1owi h ARG 241 Ca 0.11 0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1owi h ARG 241 Cb 0.00 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1owi h ARG 241 CO -0.02 -0.45 -0.14 0.66 -1.51 0.00 0.00 179.97 178.51 1owi h SER 242 N -0.70 0.00 -0.55 -3.80 4.64 -1.34 -2.63 113.55 109.17 1owi h SER 242 Ca -0.01 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 1owi h SER 242 Cb 0.65 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.64 1owi h SER 242 CO -0.10 0.14 0.22 1.41 -0.87 0.00 0.00 176.83 177.64 1owi n HIS 243 N -3.58 1.81 -1.17 4.77 8.25 -0.92 -5.11 115.22 119.27 1owi n HIS 243 Ca -0.01 -0.96 0.00 0.00 -0.26 0.00 0.00 57.72 56.48 1owi n HIS 243 Cb 0.28 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.83 1owi n HIS 243 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23