#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1omr n ASN 3 N 0.00 0.00 0.00 1.61 4.13 -1.26 -0.16 115.26 119.58 1omr n ASN 3 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1omr n ASN 3 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1omr n ASN 3 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1omr n SER 4 N 0.81 0.00 -2.74 6.41 2.88 -1.26 -4.96 113.62 114.76 1omr n SER 4 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1omr n SER 4 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1omr n SER 4 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1omr n LYS 5 N 0.00 1.63 -1.53 -1.46 4.81 -0.88 -5.09 118.16 115.64 1omr n LYS 5 Ca 0.00 -3.58 0.00 0.00 -0.87 0.00 0.00 58.31 53.86 1omr n LYS 5 Cb 0.00 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 33.50 1omr n LYS 5 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1omr n SER 6 N -0.08 -7.94 0.00 3.14 7.64 0.78 -5.03 113.62 112.12 1omr n SER 6 Ca 0.18 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.15 1omr n SER 6 Cb 0.74 -3.91 0.00 0.00 -1.01 0.00 0.00 64.21 60.03 1omr n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1omr n GLY 7 N 0.47 0.31 0.48 0.23 0.00 -0.90 -4.66 105.19 101.12 1omr n GLY 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1omr n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1omr n ALA 8 N 0.00 2.07 0.83 4.61 0.00 -1.26 -2.77 120.51 123.99 1omr n ALA 8 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1omr n ALA 8 Cb 0.00 -1.00 0.44 0.00 0.00 0.00 0.00 19.45 18.89 1omr n ALA 8 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1omr n LEU 9 N 0.12 0.42 0.15 0.00 4.77 -1.26 -3.08 117.00 118.12 1omr n LEU 9 Ca 0.00 0.41 0.13 0.00 -0.03 0.00 0.00 56.01 56.51 1omr n LEU 9 Cb 0.17 -0.36 0.37 0.00 -2.33 0.00 0.00 43.42 41.27 1omr n LEU 9 CO 0.00 -0.04 0.87 0.28 -1.33 0.00 0.00 177.39 177.17 1omr h SER 10 N 0.00 0.00 0.04 -1.43 0.02 -1.87 -3.01 113.55 107.31 1omr h SER 10 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1omr h SER 10 Cb 0.60 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.16 1omr h SER 10 CO 0.00 0.00 -0.62 0.50 -1.14 0.00 0.00 176.83 175.57 1omr h LYS 11 N 0.00 0.34 -0.81 3.45 3.11 -1.81 -2.13 116.57 118.72 1omr h LYS 11 Ca 0.00 -0.43 0.02 0.00 -2.81 0.00 0.00 60.65 57.43 1omr h LYS 11 Cb 0.75 0.14 -0.04 0.00 -1.00 0.00 0.00 32.23 32.08 1omr h LYS 11 CO 0.00 1.13 0.53 1.49 -2.81 0.00 0.00 179.45 179.78 1omr h GLU 12 N -0.25 1.02 -0.10 1.90 4.81 -1.70 -0.17 114.58 120.09 1omr h GLU 12 Ca -0.09 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1omr h GLU 12 Cb 1.38 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 1omr h GLU 12 CO 0.12 0.68 0.05 0.82 -0.73 0.00 0.00 179.01 179.95 1omr h ILE 13 N 1.05 1.10 -0.78 2.32 2.04 -1.53 -0.75 117.51 120.96 1omr h ILE 13 Ca 0.31 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 1omr h ILE 13 Cb -0.07 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1omr h ILE 13 CO -0.09 0.08 0.37 -0.07 0.00 0.00 0.00 178.15 178.45 1omr h LEU 14 N 0.06 1.03 0.02 1.44 3.38 -1.07 -1.42 115.31 118.74 1omr h LEU 14 Ca 0.04 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1omr h LEU 14 Cb 0.09 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1omr h LEU 14 CO -0.01 0.87 -0.01 -0.08 0.09 0.00 0.00 178.44 179.31 1omr h GLU 15 N 1.12 -0.02 0.00 1.13 4.81 -0.81 1.08 114.58 121.89 1omr h GLU 15 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1omr h GLU 15 Cb 0.13 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1omr h GLU 15 CO -0.03 0.19 0.00 0.39 -0.73 0.00 0.00 179.01 178.82 1omr n GLU 16 N -5.00 0.02 -0.02 1.92 1.02 -0.31 -3.62 120.64 114.66 1omr n GLU 16 Ca -0.08 0.18 -0.01 0.00 -0.02 0.00 0.00 57.16 57.23 1omr n GLU 16 Cb 0.13 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 1omr n GLU 16 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1omr n LEU 17 N -1.58 0.00 0.00 -4.62 7.94 -0.55 -5.08 117.00 113.12 1omr n LEU 17 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1omr n LEU 17 Cb 0.24 0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.28 1omr n LEU 17 CO 0.19 0.09 0.00 0.00 -1.11 0.00 0.00 177.39 176.56 1omr n GLN 18 N -2.07 0.00 0.33 1.96 6.02 0.37 -2.05 117.38 121.95 1omr n GLN 18 Ca -0.06 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.11 1omr n GLN 18 Cb 0.54 0.00 0.93 0.00 1.02 0.00 0.00 30.24 32.74 1omr n GLN 18 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1omr h LEU 19 N 0.00 0.00 -2.20 1.08 -0.00 -1.95 -0.44 115.31 111.80 1omr h LEU 19 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1omr h LEU 19 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1omr h LEU 19 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 178.44 179.22 1omr h ASN 20 N 0.00 0.00 -4.03 -0.43 2.35 -1.80 -3.44 115.58 108.23 1omr h ASN 20 Ca 0.01 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.22 1omr h ASN 20 Cb 0.48 0.00 0.12 0.00 0.05 0.00 0.00 38.32 38.97 1omr h ASN 20 CO -0.00 0.00 0.58 0.28 -1.65 0.00 0.00 177.43 176.64 1omr s THR 21 N -3.88 2.36 -0.68 2.81 -1.32 -0.18 -4.74 115.64 110.01 1omr s THR 21 Ca -0.02 0.27 0.09 0.00 -1.21 0.00 0.00 61.69 60.82 1omr s THR 21 Cb 0.11 -3.14 0.26 0.00 -1.51 0.00 0.00 72.50 68.21 1omr s THR 21 CO 0.43 -0.00 1.21 0.29 -2.21 0.00 0.00 174.62 174.34 1omr n LYS 22 N -0.84 2.88 -4.00 7.08 4.76 -1.26 -5.00 118.16 121.78 1omr n LYS 22 Ca 0.09 -2.00 -0.09 0.00 -2.87 0.00 0.00 58.31 53.45 1omr n LYS 22 Cb 0.46 -1.25 -0.11 0.00 -1.84 0.00 0.00 35.03 32.29 1omr n LYS 22 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1omr s PHE 23 N -1.14 0.31 0.54 2.13 0.40 -1.26 -5.10 117.98 113.86 1omr s PHE 23 Ca 0.20 -0.64 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 1omr s PHE 23 Cb 0.11 -0.23 0.03 0.00 0.51 0.00 0.00 43.02 43.44 1omr s PHE 23 CO 0.12 -0.25 0.77 0.95 0.70 0.00 0.00 175.22 177.52 1omr s THR 24 N -2.08 2.98 0.35 0.64 -4.23 -1.26 -4.91 115.64 107.13 1omr s THR 24 Ca -0.10 -0.57 0.08 0.00 -1.18 0.00 0.00 61.69 59.92 1omr s THR 24 Cb -0.05 -3.13 0.13 0.00 1.34 0.00 0.00 72.50 70.78 1omr s THR 24 CO -0.03 -0.10 1.85 -0.08 -0.54 0.00 0.00 174.62 175.73 1omr h GLU 25 N 0.09 0.28 -0.38 3.99 4.81 -1.99 -1.19 114.58 120.19 1omr h GLU 25 Ca -0.43 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 58.60 1omr h GLU 25 Cb 1.29 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1omr h GLU 25 CO 0.54 0.47 -0.25 1.49 -0.73 0.00 0.00 179.01 180.53 1omr h GLU 26 N 0.26 0.78 -0.13 1.92 4.81 -1.97 -1.20 114.58 119.04 1omr h GLU 26 Ca 0.05 -0.33 -0.19 0.00 -0.13 0.00 0.00 59.36 58.76 1omr h GLU 26 Cb 0.48 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 1omr h GLU 26 CO 0.03 0.94 -0.69 0.93 -0.73 0.00 0.00 179.01 179.50 1omr h GLU 27 N 0.67 0.56 -0.71 1.92 5.08 -1.87 -2.15 114.58 118.09 1omr h GLU 27 Ca 0.09 -0.43 -0.05 0.00 -1.00 0.00 0.00 59.36 57.97 1omr h GLU 27 Cb 0.76 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1omr h GLU 27 CO 0.06 1.05 0.23 -0.07 -1.00 0.00 0.00 179.01 179.28 1omr h LEU 28 N 0.40 1.01 -1.14 1.33 3.38 -1.05 0.19 115.31 119.43 1omr h LEU 28 Ca -0.02 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 1omr h LEU 28 Cb 1.27 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1omr h LEU 28 CO 0.13 0.93 -0.23 0.28 0.09 0.00 0.00 178.44 179.64 1omr h SER 29 N 1.05 0.31 -0.09 -0.43 0.02 -1.04 0.38 113.55 113.75 1omr h SER 29 Ca 0.23 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1omr h SER 29 Cb 0.28 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1omr h SER 29 CO -0.01 0.55 -0.12 -1.28 -1.14 0.00 0.00 176.83 174.84 1omr h SER 30 N 0.29 0.26 -0.85 3.07 0.87 -0.68 0.11 113.55 116.62 1omr h SER 30 Ca 0.05 -0.52 0.02 0.00 -1.23 0.00 0.00 61.79 60.11 1omr h SER 30 Cb 0.57 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.41 1omr h SER 30 CO 0.04 0.72 0.55 -0.25 -0.53 0.00 0.00 176.83 177.36 1omr h TRP 31 N -0.20 1.04 -0.46 2.24 2.91 -0.77 -1.21 115.95 119.50 1omr h TRP 31 Ca 0.01 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 1omr h TRP 31 Cb 0.66 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 28.94 1omr h TRP 31 CO 0.10 0.63 0.27 -0.92 -1.03 0.00 0.00 178.44 177.48 1omr h TYR 32 N 1.10 0.62 -0.58 2.65 3.20 -0.05 0.44 116.97 124.36 1omr h TYR 32 Ca 0.32 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 1omr h TYR 32 Cb -0.06 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 1omr h TYR 32 CO -0.02 0.45 0.34 1.96 -1.64 0.00 0.00 178.16 179.26 1omr h GLN 33 N 0.61 0.78 -0.04 1.82 1.08 -0.05 0.67 115.11 119.98 1omr h GLN 33 Ca 0.16 -0.06 -0.25 0.00 -1.45 0.00 0.00 58.65 57.05 1omr h GLN 33 Cb 0.02 -0.17 0.02 0.00 -0.05 0.00 0.00 27.48 27.30 1omr h GLN 33 CO -0.03 0.55 -0.97 1.03 -0.95 0.00 0.00 178.83 178.46 1omr h SER 34 N 0.79 0.88 -0.57 1.46 0.87 -0.72 -2.90 113.55 113.35 1omr h SER 34 Ca 0.21 -0.67 0.06 0.00 -1.23 0.00 0.00 61.79 60.16 1omr h SER 34 Cb -0.02 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 61.62 1omr h SER 34 CO -0.04 1.47 0.28 0.15 -0.53 0.00 0.00 176.83 178.16 1omr h PHE 35 N 0.41 0.52 0.00 2.24 3.57 0.75 -2.05 116.94 122.38 1omr h PHE 35 Ca -0.10 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.36 1omr h PHE 35 Cb 1.61 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.19 1omr h PHE 35 CO 0.09 0.23 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.08 1omr h LEU 36 N 0.53 0.00 -0.88 0.59 3.38 -0.91 0.43 115.31 118.44 1omr h LEU 36 Ca 0.26 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 1omr h LEU 36 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1omr h LEU 36 CO -0.19 0.26 -0.49 0.11 0.09 0.00 0.00 178.44 178.21 1omr h LYS 37 N 0.00 0.16 0.00 1.13 1.79 -1.16 -2.17 116.57 116.32 1omr h LYS 37 Ca -0.00 -0.09 -0.32 0.00 -2.18 0.00 0.00 60.65 58.06 1omr h LYS 37 Cb 0.68 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.28 1omr h LYS 37 CO 0.03 0.62 -1.94 0.39 -1.08 0.00 0.00 179.45 177.47 1omr n GLU 38 N -3.96 0.65 -3.52 3.15 -0.58 -0.97 -4.62 120.64 110.79 1omr n GLU 38 Ca -0.02 0.19 -0.27 0.00 -0.42 0.00 0.00 57.16 56.65 1omr n GLU 38 Cb 0.53 -1.70 -0.10 0.00 -0.57 0.00 0.00 31.44 29.59 1omr n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1omr h PRO 40 N 5.46 0.15 0.00 0.00 0.11 -1.61 0.14 132.00 136.25 1omr h PRO 40 Ca 0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1omr h PRO 40 Cb 0.86 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1omr h PRO 40 CO 0.48 0.10 0.00 0.66 -0.21 0.00 0.00 178.00 179.03 1omr h SER 41 N 0.16 0.00 -0.03 -2.05 4.64 -1.94 -3.47 113.55 110.86 1omr h SER 41 Ca 0.79 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 62.10 1omr h SER 41 Cb 2.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.25 1omr h SER 41 CO -0.55 0.00 -0.01 0.61 -0.87 0.00 0.00 176.83 176.01 1omr n GLY 42 N 0.64 0.47 3.35 -0.77 0.00 0.50 -5.01 105.19 104.36 1omr n GLY 42 Ca 0.03 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1omr n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1omr s ARG 43 N -0.69 1.29 -0.04 1.61 1.81 -1.26 -3.05 118.95 118.61 1omr s ARG 43 Ca 0.00 -1.28 0.01 0.00 -1.72 0.00 0.00 55.73 52.74 1omr s ARG 43 Cb 0.00 -1.68 0.02 0.00 -0.45 0.00 0.00 34.95 32.84 1omr s ARG 43 CO 0.00 0.39 -0.05 -1.50 -0.68 0.00 0.00 175.30 173.47 1omr s ILE 44 N -1.13 0.55 0.89 1.52 2.07 -0.20 -4.93 121.20 119.97 1omr s ILE 44 Ca 0.11 -0.14 -0.13 0.00 -1.41 0.00 0.00 60.65 59.08 1omr s ILE 44 Cb -0.10 -0.57 0.13 0.00 0.13 0.00 0.00 42.46 42.05 1omr s ILE 44 CO 0.05 0.22 1.18 0.42 -1.91 0.00 0.00 174.94 174.90 1omr s THR 45 N 0.85 1.98 0.17 4.00 -4.23 -1.26 -0.94 115.64 116.20 1omr s THR 45 Ca -0.12 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.30 1omr s THR 45 Cb -0.14 -2.87 0.04 0.00 1.34 0.00 0.00 72.50 70.86 1omr s THR 45 CO 0.00 0.00 1.60 -0.09 -0.54 0.00 0.00 174.62 175.59 1omr h ARG 46 N -1.38 1.03 -0.67 3.99 2.43 -1.83 -1.10 114.38 116.85 1omr h ARG 46 Ca -0.48 -0.37 -0.00 0.00 -0.81 0.00 0.00 59.98 58.32 1omr h ARG 46 Cb 1.32 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 1omr h ARG 46 CO 0.59 1.06 0.42 1.96 -1.51 0.00 0.00 179.97 182.49 1omr h GLN 47 N 0.91 0.91 -0.39 0.20 1.08 -1.93 0.86 115.11 116.74 1omr h GLN 47 Ca 0.14 -0.08 -0.11 0.00 -1.45 0.00 0.00 58.65 57.15 1omr h GLN 47 Cb 0.65 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1omr h GLN 47 CO 0.05 0.64 -0.22 0.93 -0.95 0.00 0.00 178.83 179.28 1omr h GLU 48 N 0.92 0.78 -0.46 1.46 5.08 -1.89 -1.88 114.58 118.59 1omr h GLU 48 Ca 0.24 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1omr h GLU 48 Cb -0.05 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1omr h GLU 48 CO -0.05 0.93 0.05 0.35 -1.00 0.00 0.00 179.01 179.29 1omr h PHE 49 N 0.68 0.83 -0.84 4.33 3.57 -0.76 -2.59 116.94 122.17 1omr h PHE 49 Ca 0.10 -0.13 0.06 0.00 3.53 0.00 0.00 57.97 61.53 1omr h PHE 49 Cb 0.73 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 1omr h PHE 49 CO 0.04 0.79 0.55 1.96 -2.23 0.00 0.00 178.31 179.42 1omr h GLN 50 N 0.63 0.94 -0.36 1.11 4.20 -0.61 -1.82 115.11 119.20 1omr h GLN 50 Ca 0.14 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1omr h GLN 50 Cb 0.43 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1omr h GLN 50 CO 0.01 0.62 0.15 1.15 -0.67 0.00 0.00 178.83 180.10 1omr h THR 51 N 0.97 1.14 -0.10 -0.54 2.02 -0.94 -0.23 112.91 115.22 1omr h THR 51 Ca 0.36 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1omr h THR 51 Cb 0.17 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1omr h THR 51 CO -0.12 0.17 0.03 0.40 0.37 0.00 0.00 175.52 176.36 1omr h ILE 52 N 0.51 0.97 -0.02 3.11 2.04 -1.21 -0.85 117.51 122.06 1omr h ILE 52 Ca 0.13 -0.03 -0.13 0.00 1.00 0.00 0.00 64.86 65.83 1omr h ILE 52 Cb 0.10 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1omr h ILE 52 CO -0.01 0.01 -0.60 1.88 0.00 0.00 0.00 178.15 179.43 1omr h TYR 53 N 0.08 0.09 -0.44 1.37 -1.99 -1.39 -1.69 116.97 113.01 1omr h TYR 53 Ca 0.04 -0.04 -0.09 0.00 2.00 0.00 0.00 58.73 60.64 1omr h TYR 53 Cb 0.03 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 38.72 1omr h TYR 53 CO -0.10 0.65 -0.10 0.77 -0.00 0.00 0.00 178.16 179.38 1omr h SER 54 N 0.05 0.78 -0.25 3.88 0.02 -0.77 -1.60 113.55 115.66 1omr h SER 54 Ca -0.01 -0.23 -0.13 0.00 -0.84 0.00 0.00 61.79 60.59 1omr h SER 54 Cb 1.07 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 1omr h SER 54 CO 0.08 0.91 -0.34 0.11 -1.14 0.00 0.00 176.83 176.45 1omr h LYS 55 N 0.71 0.68 -0.39 3.45 1.57 -0.97 -3.33 116.57 118.30 1omr h LYS 55 Ca 0.12 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1omr h LYS 55 Cb 0.58 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1omr h LYS 55 CO 0.04 1.00 0.00 1.19 -0.57 0.00 0.00 179.45 181.11 1omr n PHE 56 N -4.25 0.51 -3.08 -1.35 3.72 -0.65 -4.21 117.46 108.15 1omr n PHE 56 Ca -0.05 -0.26 -0.18 0.00 -0.05 0.00 0.00 57.45 56.92 1omr n PHE 56 Cb 0.50 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.02 1omr n PHE 56 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1omr n PHE 57 N 1.08 0.86 0.31 1.38 3.72 -0.61 -4.94 117.46 119.26 1omr n PHE 57 Ca 0.18 -3.71 0.18 0.00 -0.05 0.00 0.00 57.45 54.05 1omr n PHE 57 Cb 0.49 -0.42 1.00 0.00 -0.94 0.00 0.00 39.48 39.61 1omr n PHE 57 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1omr h PRO 58 N 2.99 0.00 0.00 -1.08 0.11 -1.73 -1.70 132.00 130.59 1omr h PRO 58 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1omr h PRO 58 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1omr h PRO 58 CO 0.55 0.02 -0.15 -0.85 -0.21 0.00 0.00 178.00 177.35 1omr n GLU 59 N -3.52 0.10 -2.04 1.05 0.00 -1.26 -4.92 120.64 110.05 1omr n GLU 59 Ca -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 57.16 57.18 1omr n GLU 59 Cb 0.10 -1.60 -0.00 0.00 0.00 0.00 0.00 31.44 29.94 1omr n GLU 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1omr n ALA 60 N -1.61 0.02 -3.59 -1.84 0.00 -0.64 -4.55 120.51 108.30 1omr n ALA 60 Ca 0.06 -0.09 -0.27 0.00 0.00 0.00 0.00 53.44 53.14 1omr n ALA 60 Cb 0.37 0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 1omr n ALA 60 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1omr n ASP 61 N -1.13 2.00 0.00 0.00 2.03 -0.72 -4.99 116.55 113.74 1omr n ASP 61 Ca -0.01 -3.00 0.13 0.00 0.52 0.00 0.00 54.79 52.43 1omr n ASP 61 Cb 0.03 -0.68 0.78 0.00 -0.72 0.00 0.00 41.12 40.53 1omr n ASP 61 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1omr n PRO 62 N 1.86 0.85 0.10 -0.67 -0.04 -1.26 -4.46 135.00 131.39 1omr n PRO 62 Ca 0.25 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.58 1omr n PRO 62 Cb 0.42 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 1omr n PRO 62 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1omr h LYS 63 N 0.00 -0.48 -0.58 0.54 3.64 -1.94 0.78 116.57 118.54 1omr h LYS 63 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1omr h LYS 63 Cb 0.00 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1omr h LYS 63 CO 0.00 -0.32 0.37 0.00 -2.27 0.00 0.00 179.45 177.24 1omr h ALA 64 N 0.21 0.74 0.06 5.00 0.00 -1.92 -1.26 119.26 122.09 1omr h ALA 64 Ca 0.04 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1omr h ALA 64 Cb 0.53 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1omr h ALA 64 CO -0.18 0.19 -0.14 -0.92 0.00 0.00 0.00 179.25 178.19 1omr h TYR 65 N 0.79 -0.37 -0.97 0.00 3.20 -1.70 -0.99 116.97 116.92 1omr h TYR 65 Ca 0.21 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.12 1omr h TYR 65 Cb -0.07 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 1omr h TYR 65 CO -0.03 -0.21 0.64 0.00 -1.64 0.00 0.00 178.16 176.91 1omr h ALA 66 N 0.63 1.27 -0.71 1.82 0.00 -0.64 -1.33 119.26 120.30 1omr h ALA 66 Ca 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1omr h ALA 66 Cb 0.30 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1omr h ALA 66 CO -0.10 0.55 0.27 1.96 0.00 0.00 0.00 179.25 181.93 1omr h GLN 67 N 1.25 1.07 -0.39 0.00 4.20 -0.68 -0.54 115.11 120.03 1omr h GLN 67 Ca 0.38 -0.21 -0.12 0.00 0.06 0.00 0.00 58.65 58.76 1omr h GLN 67 Cb -0.04 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1omr h GLN 67 CO -0.11 0.90 -0.24 0.45 -0.67 0.00 0.00 178.83 179.16 1omr h HIS 68 N 1.02 0.90 -0.30 2.96 3.86 -0.72 -0.91 115.15 121.97 1omr h HIS 68 Ca 0.23 -0.21 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 1omr h HIS 68 Cb 0.24 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 1omr h HIS 68 CO 0.02 0.95 0.05 0.28 0.86 0.00 0.00 177.93 180.09 1omr h VAL 69 N 0.68 1.23 -0.63 2.45 2.07 -1.02 -0.30 116.25 120.73 1omr h VAL 69 Ca 0.09 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.83 1omr h VAL 69 Cb 0.76 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 1omr h VAL 69 CO 0.06 0.26 0.40 0.15 0.02 0.00 0.00 177.57 178.46 1omr h PHE 70 N 0.32 0.75 0.00 1.57 3.04 -0.97 -2.61 116.94 119.03 1omr h PHE 70 Ca 0.09 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.97 1omr h PHE 70 Cb 0.34 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 1omr h PHE 70 CO 0.02 0.45 -0.45 0.00 -2.02 0.00 0.00 178.31 176.31 1omr h ARG 71 N 0.80 0.00 -0.35 1.11 3.08 -0.91 -3.12 114.38 114.99 1omr h ARG 71 Ca 0.25 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.40 1omr h ARG 71 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1omr h ARG 71 CO -0.08 0.45 0.53 0.66 -1.07 0.00 0.00 179.97 180.45 1omr h SER 72 N 0.00 0.00 -0.24 7.04 4.64 -0.65 1.48 113.55 125.83 1omr h SER 72 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1omr h SER 72 Cb 0.82 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.87 1omr h SER 72 CO 0.06 0.00 0.10 0.49 -0.87 0.00 0.00 176.83 176.60 1omr n PHE 73 N -3.38 0.78 0.00 4.77 3.72 -1.18 -4.49 117.46 117.69 1omr n PHE 73 Ca 0.06 -0.55 0.00 0.00 -0.05 0.00 0.00 57.45 56.91 1omr n PHE 73 Cb 0.68 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1omr n PHE 73 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1omr n ASP 74 N 0.10 0.00 -3.65 4.37 5.75 -0.09 -4.94 116.55 118.09 1omr n ASP 74 Ca 0.13 0.00 -0.27 0.00 -0.01 0.00 0.00 54.79 54.64 1omr n ASP 74 Cb 0.69 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.78 1omr n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1omr n ALA 75 N 0.00 -1.14 -3.59 2.12 0.00 0.49 -4.96 120.51 113.43 1omr n ALA 75 Ca 0.00 0.10 -0.24 0.00 0.00 0.00 0.00 53.44 53.30 1omr n ALA 75 Cb 0.00 -3.33 -0.17 0.00 0.00 0.00 0.00 19.45 15.95 1omr n ALA 75 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1omr s ASN 76 N -2.96 1.64 0.27 0.00 3.04 -1.25 -4.95 114.94 110.73 1omr s ASN 76 Ca 0.53 -0.25 0.20 0.00 0.04 0.00 0.00 52.86 53.37 1omr s ASN 76 Cb -0.28 -0.73 0.10 0.00 -1.54 0.00 0.00 41.25 38.81 1omr s ASN 76 CO 0.65 -0.02 1.28 0.28 -3.04 0.00 0.00 177.10 176.25 1omr h SER 77 N 7.27 0.00 -3.17 -4.21 0.02 -1.93 -3.40 113.55 108.12 1omr h SER 77 Ca -0.32 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.46 1omr h SER 77 Cb 1.17 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.76 1omr h SER 77 CO 0.46 0.23 0.13 -0.67 -1.14 0.00 0.00 176.83 175.83 1omr n ASP 78 N -2.98 0.20 0.00 3.07 -0.08 -1.26 -4.65 116.55 110.84 1omr n ASP 78 Ca 0.00 -1.27 0.00 0.00 -1.51 0.00 0.00 54.79 52.01 1omr n ASP 78 Cb 0.64 -0.35 0.00 0.00 2.34 0.00 0.00 41.12 43.75 1omr n ASP 78 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1omr n GLY 79 N 1.74 0.29 3.37 0.27 0.00 -1.26 -4.89 105.19 104.72 1omr n GLY 79 Ca 0.06 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 1omr n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1omr s THR 80 N 0.00 0.00 0.08 2.61 -4.23 -1.26 -4.14 115.64 108.70 1omr s THR 80 Ca 0.00 -1.79 0.07 0.00 -1.18 0.00 0.00 61.69 58.79 1omr s THR 80 Cb 0.00 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 1omr s THR 80 CO 0.00 0.00 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.17 1omr s LEU 81 N -3.25 2.80 0.68 4.79 1.43 -0.12 -4.89 118.68 120.13 1omr s LEU 81 Ca 0.35 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1omr s LEU 81 Cb 0.02 -1.64 0.12 0.00 0.03 0.00 0.00 46.19 44.72 1omr s LEU 81 CO 0.20 0.21 0.94 1.51 0.23 0.00 0.00 176.35 179.44 1omr s ASP 82 N -1.90 4.54 0.26 2.29 -4.77 -1.26 -1.03 116.67 114.80 1omr s ASP 82 Ca 0.18 -0.48 -0.02 0.00 -3.30 0.00 0.00 52.55 48.93 1omr s ASP 82 Cb -0.11 0.05 0.43 0.00 -1.09 0.00 0.00 42.92 42.20 1omr s ASP 82 CO 0.09 -1.72 1.85 0.15 0.70 0.00 0.00 175.17 176.24 1omr h PHE 83 N -0.34 1.08 0.09 2.11 3.57 -1.95 -1.29 116.94 120.20 1omr h PHE 83 Ca -0.35 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.19 1omr h PHE 83 Cb 1.27 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1omr h PHE 83 CO -0.04 0.49 -0.09 -0.22 -2.23 0.00 0.00 178.31 176.22 1omr h LYS 84 N 1.01 -0.20 -0.11 1.11 3.64 -1.92 -0.37 116.57 119.74 1omr h LYS 84 Ca 0.43 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.75 1omr h LYS 84 Cb 0.30 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1omr h LYS 84 CO -0.22 -0.13 -0.29 0.93 -2.27 0.00 0.00 179.45 177.48 1omr h GLU 85 N -0.20 0.20 -0.41 1.90 5.08 -1.87 -0.98 114.58 118.30 1omr h GLU 85 Ca 0.00 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1omr h GLU 85 Cb 0.20 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1omr h GLU 85 CO -0.03 0.48 -0.17 -0.92 -1.00 0.00 0.00 179.01 177.37 1omr h TYR 86 N 0.18 0.97 -0.31 4.33 5.03 -0.89 0.56 116.97 126.84 1omr h TYR 86 Ca 0.03 -0.23 -0.08 0.00 2.58 0.00 0.00 58.73 61.03 1omr h TYR 86 Cb 0.61 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.65 1omr h TYR 86 CO 0.01 1.00 -0.11 0.28 -1.32 0.00 0.00 178.16 178.01 1omr h VAL 87 N 0.66 1.29 -0.52 1.81 2.07 -0.83 -2.24 116.25 118.49 1omr h VAL 87 Ca 0.09 -1.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.37 1omr h VAL 87 Cb 0.73 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1omr h VAL 87 CO 0.06 0.38 0.09 0.40 0.02 0.00 0.00 177.57 178.52 1omr h ILE 88 N 0.39 1.23 -0.54 4.57 2.04 -1.12 -1.78 117.51 122.29 1omr h ILE 88 Ca 0.07 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 1omr h ILE 88 Cb 0.62 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1omr h ILE 88 CO 0.04 0.32 0.21 0.00 0.00 0.00 0.00 178.15 178.72 1omr h ALA 89 N 1.31 0.71 -0.38 1.87 0.00 -0.69 -0.40 119.26 121.69 1omr h ALA 89 Ca 0.17 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1omr h ALA 89 Cb 0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1omr h ALA 89 CO 0.01 0.33 -0.05 -0.07 0.00 0.00 0.00 179.25 179.46 1omr h LEU 90 N 0.74 0.60 -0.46 0.00 3.38 -1.17 -2.25 115.31 116.15 1omr h LEU 90 Ca 0.18 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1omr h LEU 90 Cb 0.21 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1omr h LEU 90 CO -0.01 0.70 0.01 0.45 0.09 0.00 0.00 178.44 179.68 1omr h HIS 91 N 0.59 0.86 -0.84 1.13 3.86 -0.78 -0.82 115.15 119.15 1omr h HIS 91 Ca 0.11 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1omr h HIS 91 Cb 0.44 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 1omr h HIS 91 CO 0.02 0.83 0.49 0.52 0.86 0.00 0.00 177.93 180.65 1omr h MET 92 N 0.64 1.14 0.00 2.45 2.86 -0.73 -0.50 114.93 120.80 1omr h MET 92 Ca 0.13 -0.11 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 1omr h MET 92 Cb 0.48 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1omr h MET 92 CO 0.02 0.81 -0.92 1.79 1.06 0.00 0.00 176.91 179.67 1omr h THR 93 N 1.16 0.53 0.00 2.22 1.35 -1.31 -3.43 112.91 113.44 1omr h THR 93 Ca 0.30 -1.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 1omr h THR 93 Cb -0.03 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1omr h THR 93 CO -0.05 0.30 0.00 -1.20 -0.25 0.00 0.00 175.52 174.32 1omr n SER 94 N -3.00 0.41 -3.91 5.36 7.64 -0.32 -4.26 113.62 115.52 1omr n SER 94 Ca -0.03 -1.04 -0.09 0.00 1.01 0.00 0.00 58.87 58.73 1omr n SER 94 Cb 0.74 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.86 1omr n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1omr s ALA 95 N -0.04 -0.08 0.02 -0.43 0.00 -0.21 -5.01 121.76 116.02 1omr s ALA 95 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1omr s ALA 95 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.47 1omr s ALA 95 CO 0.00 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1omr n GLY 96 N 0.32 -2.11 3.85 0.00 0.00 -1.26 -4.60 105.19 101.39 1omr n GLY 96 Ca -0.17 -1.44 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 1omr n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1omr s LYS 97 N -0.60 3.77 0.23 1.61 1.02 -1.26 -5.02 119.74 119.49 1omr s LYS 97 Ca 0.00 0.24 -0.08 0.00 0.02 0.00 0.00 55.97 56.15 1omr s LYS 97 Cb 0.00 -3.18 0.25 0.00 -0.52 0.00 0.00 37.83 34.38 1omr s LYS 97 CO 0.00 0.70 1.87 1.15 -0.92 0.00 0.00 175.35 178.14 1omr h THR 98 N 3.65 1.11 0.00 2.17 2.02 -1.98 -2.79 112.91 117.09 1omr h THR 98 Ca -0.52 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1omr h THR 98 Cb 1.22 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1omr h THR 98 CO 0.61 0.18 0.03 0.78 0.37 0.00 0.00 175.52 177.49 1omr h ASN 99 N 1.01 0.00 -0.13 4.18 2.35 -1.96 0.42 115.58 121.44 1omr h ASN 99 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1omr h ASN 99 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1omr h ASN 99 CO -0.12 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.66 1omr n GLN 100 N -2.45 2.27 -0.10 0.81 6.02 -1.05 -4.13 117.38 118.74 1omr n GLN 100 Ca -0.02 -1.87 0.03 0.00 -0.01 0.00 0.00 57.00 55.13 1omr n GLN 100 Cb 0.07 -1.47 0.09 0.00 1.02 0.00 0.00 30.24 29.94 1omr n GLN 100 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1omr n LYS 101 N 1.20 2.86 -0.05 -1.09 5.02 0.15 -4.78 118.16 121.47 1omr n LYS 101 Ca 0.16 -1.81 0.01 0.00 -2.02 0.00 0.00 58.31 54.65 1omr n LYS 101 Cb 0.56 -1.16 0.33 0.00 -0.02 0.00 0.00 35.03 34.74 1omr n LYS 101 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1omr h LEU 102 N 1.23 0.58 -0.46 -0.35 3.38 -1.69 0.14 115.31 118.13 1omr h LEU 102 Ca 0.00 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1omr h LEU 102 Cb 0.63 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1omr h LEU 102 CO 0.00 0.51 -0.22 1.05 0.09 0.00 0.00 178.44 179.86 1omr h GLU 103 N 0.65 0.96 -0.30 1.13 9.09 -1.92 -1.80 114.58 122.40 1omr h GLU 103 Ca 0.16 -0.42 -0.16 0.00 0.05 0.00 0.00 59.36 58.99 1omr h GLU 103 Cb 0.08 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.15 1omr h GLU 103 CO -0.02 1.09 -0.44 2.35 0.05 0.00 0.00 179.01 182.04 1omr h TRP 104 N 0.81 0.92 -0.84 2.06 7.01 -1.81 -2.84 115.95 121.26 1omr h TRP 104 Ca 0.10 -0.29 0.04 0.00 2.11 0.00 0.00 58.89 60.85 1omr h TRP 104 Cb 0.80 -0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 27.63 1omr h TRP 104 CO 0.06 1.06 0.55 0.00 -2.79 0.00 0.00 178.44 177.32 1omr h ALA 105 N 0.89 1.51 -0.36 2.65 0.00 -0.52 -0.68 119.26 122.74 1omr h ALA 105 Ca 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1omr h ALA 105 Cb 1.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1omr h ALA 105 CO 0.10 0.40 0.21 0.35 0.00 0.00 0.00 179.25 180.30 1omr h PHE 106 N 1.01 0.49 -0.34 0.00 3.57 -1.10 -1.00 116.94 119.57 1omr h PHE 106 Ca 0.34 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 1omr h PHE 106 Cb 0.08 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1omr h PHE 106 CO -0.00 0.37 0.16 0.77 -2.23 0.00 0.00 178.31 177.38 1omr h SER 107 N 0.47 0.41 -0.29 0.41 0.02 -1.07 0.11 113.55 113.61 1omr h SER 107 Ca 0.13 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1omr h SER 107 Cb 0.04 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1omr h SER 107 CO -0.02 0.36 -0.05 0.25 -1.14 0.00 0.00 176.83 176.23 1omr h LEU 108 N 0.47 0.55 -0.66 5.07 5.85 -0.53 -3.17 115.31 122.89 1omr h LEU 108 Ca 0.12 -0.35 -0.12 0.00 0.84 0.00 0.00 57.88 58.38 1omr h LEU 108 Cb 0.06 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1omr h LEU 108 CO -0.02 0.76 -0.56 1.88 -0.34 0.00 0.00 178.44 180.17 1omr h TYR 109 N 0.32 0.00 -0.62 1.25 0.05 -0.56 -3.35 116.97 114.06 1omr h TYR 109 Ca 0.08 0.00 -0.71 0.00 0.05 0.00 0.00 58.73 58.15 1omr h TYR 109 Cb 0.51 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.18 1omr h TYR 109 CO 0.05 0.56 2.55 -3.47 -1.05 0.00 0.00 178.16 176.80 1omr n ASP 110 N -3.58 4.49 -0.19 3.88 2.03 0.32 -4.58 116.55 118.93 1omr n ASP 110 Ca -0.00 -2.91 -0.01 0.00 0.52 0.00 0.00 54.79 52.39 1omr n ASP 110 Cb 0.63 -1.67 0.07 0.00 -0.72 0.00 0.00 41.12 39.42 1omr n ASP 110 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1omr h VAL 111 N 4.62 0.46 -0.00 5.18 2.07 -1.78 -1.05 116.25 125.74 1omr h VAL 111 Ca 0.49 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 68.00 1omr h VAL 111 Cb 0.74 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1omr h VAL 111 CO 1.65 0.01 -0.08 -0.90 0.02 0.00 0.00 177.57 178.27 1omr n ASP 112 N -5.35 0.50 -1.56 0.57 5.68 -1.26 -4.85 116.55 110.28 1omr n ASP 112 Ca 0.07 -0.70 -0.16 0.00 -0.50 0.00 0.00 54.79 53.50 1omr n ASP 112 Cb 0.31 -0.06 -0.03 0.00 -1.14 0.00 0.00 41.12 40.20 1omr n ASP 112 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1omr n GLY 113 N 1.24 0.44 0.66 6.12 0.00 -0.40 -4.90 105.19 108.35 1omr n GLY 113 Ca 0.16 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.96 1omr n GLY 113 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1omr n ASN 114 N -0.81 1.80 0.00 1.61 6.94 -1.26 -4.89 115.26 118.64 1omr n ASN 114 Ca -0.17 -2.13 0.00 0.00 -0.02 0.00 0.00 54.58 52.25 1omr n ASN 114 Cb 0.59 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 1omr n ASN 114 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1omr n GLY 115 N 0.57 1.43 3.15 4.83 0.00 -1.26 -5.03 105.19 108.88 1omr n GLY 115 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 1omr n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1omr s THR 116 N -2.35 0.17 -0.18 2.61 -4.23 -1.26 -4.57 115.64 105.83 1omr s THR 116 Ca 0.00 -1.54 -0.08 0.00 -1.18 0.00 0.00 61.69 58.89 1omr s THR 116 Cb 0.00 -1.50 -0.04 0.00 1.34 0.00 0.00 72.50 72.29 1omr s THR 116 CO 0.00 -0.78 0.07 -0.63 -0.54 0.00 0.00 174.62 172.74 1omr s ILE 117 N -3.91 4.90 0.36 2.99 1.01 0.44 -4.77 121.20 122.22 1omr s ILE 117 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 60.65 60.80 1omr s ILE 117 Cb 0.06 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 1omr s ILE 117 CO -0.09 0.47 0.48 -0.94 0.00 0.00 0.00 174.94 174.85 1omr s SER 118 N 0.30 5.81 0.22 3.58 1.04 -1.26 -0.77 113.70 122.62 1omr s SER 118 Ca 0.04 -0.29 -0.08 0.00 0.48 0.00 0.00 55.95 56.10 1omr s SER 118 Cb -0.12 -1.05 0.23 0.00 0.10 0.00 0.00 66.02 65.18 1omr s SER 118 CO -0.00 -0.51 1.86 0.50 0.98 0.00 0.00 173.24 176.07 1omr h LYS 119 N 0.86 0.93 -0.12 4.02 3.64 -1.80 -2.04 116.57 122.06 1omr h LYS 119 Ca -0.44 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 58.81 1omr h LYS 119 Cb 1.26 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1omr h LYS 119 CO 0.51 0.61 -0.25 -0.91 -2.27 0.00 0.00 179.45 177.15 1omr h ASN 120 N 0.96 0.21 -0.24 4.20 2.35 -1.95 -2.44 115.58 118.67 1omr h ASN 120 Ca 0.31 -0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.84 1omr h ASN 120 Cb 0.03 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1omr h ASN 120 CO -0.12 0.47 -0.44 -0.33 -1.65 0.00 0.00 177.43 175.36 1omr h GLU 121 N 0.19 0.80 -0.53 0.81 5.08 -1.71 -0.74 114.58 118.49 1omr h GLU 121 Ca 0.03 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1omr h GLU 121 Cb 0.55 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1omr h GLU 121 CO 0.04 1.08 0.35 0.28 -1.00 0.00 0.00 179.01 179.75 1omr h VAL 122 N 0.64 1.14 -0.73 3.13 2.07 -1.09 -1.59 116.25 119.81 1omr h VAL 122 Ca 0.04 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1omr h VAL 122 Cb 1.02 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1omr h VAL 122 CO 0.10 0.13 0.32 0.25 0.02 0.00 0.00 177.57 178.39 1omr h LEU 123 N 0.71 0.99 -0.39 2.57 5.85 -1.18 0.15 115.31 124.01 1omr h LEU 123 Ca 0.19 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1omr h LEU 123 Cb -0.08 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 1omr h LEU 123 CO -0.04 0.87 0.24 -0.08 -0.34 0.00 0.00 178.44 179.09 1omr h GLU 124 N 1.04 0.53 -0.12 1.25 4.81 -0.71 0.00 114.58 121.39 1omr h GLU 124 Ca 0.25 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 1omr h GLU 124 Cb 0.17 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1omr h GLU 124 CO -0.02 0.39 -0.28 0.82 -0.73 0.00 0.00 179.01 179.19 1omr h ILE 125 N 0.52 1.38 -0.88 2.32 1.08 -1.11 -2.08 117.51 118.74 1omr h ILE 125 Ca 0.14 -1.58 0.07 0.00 -0.39 0.00 0.00 64.86 63.11 1omr h ILE 125 Cb -0.00 2.10 -0.06 0.00 -3.07 0.00 0.00 36.82 35.79 1omr h ILE 125 CO -0.03 0.46 0.57 0.58 -0.69 0.00 0.00 178.15 179.05 1omr h VAL 126 N -0.03 1.03 -0.25 1.67 2.07 -0.62 -0.27 116.25 119.86 1omr h VAL 126 Ca -0.00 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1omr h VAL 126 Cb 0.88 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1omr h VAL 126 CO 0.06 0.17 0.02 0.74 0.02 0.00 0.00 177.57 178.58 1omr h THR 127 N 0.95 1.25 -0.67 2.57 2.02 -0.92 0.92 112.91 119.02 1omr h THR 127 Ca 0.39 -0.85 0.02 0.00 0.77 0.00 0.00 66.41 66.73 1omr h THR 127 Cb 0.27 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 1omr h THR 127 CO -0.15 0.27 0.43 0.00 0.37 0.00 0.00 175.52 176.44 1omr h ALA 128 N 0.83 0.86 -0.46 6.16 0.00 -0.65 -1.63 119.26 124.38 1omr h ALA 128 Ca 0.07 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1omr h ALA 128 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1omr h ALA 128 CO 0.01 0.24 -0.23 0.82 0.00 0.00 0.00 179.25 180.09 1omr h ILE 129 N 0.87 1.27 -0.80 0.00 2.04 -0.96 -3.02 117.51 116.90 1omr h ILE 129 Ca 0.26 -1.39 0.08 0.00 1.00 0.00 0.00 64.86 64.81 1omr h ILE 129 Cb -0.05 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 1omr h ILE 129 CO -0.08 0.48 0.47 0.15 0.00 0.00 0.00 178.15 179.17 1omr h PHE 130 N 0.83 0.85 0.00 1.37 3.57 -0.25 0.17 116.94 123.48 1omr h PHE 130 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1omr h PHE 130 Cb 0.80 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1omr h PHE 130 CO 0.05 0.38 0.00 1.63 -2.23 0.00 0.00 178.31 178.14 1omr n LYS 131 N -4.72 0.08 0.00 1.11 5.02 -0.66 -1.17 118.16 117.81 1omr n LYS 131 Ca 0.12 0.26 0.12 0.00 -2.02 0.00 0.00 58.31 56.80 1omr n LYS 131 Cb 0.23 -1.50 0.32 0.00 -0.02 0.00 0.00 35.03 34.07 1omr n LYS 131 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1omr n MET 132 N -1.37 0.04 -3.20 1.97 2.81 0.05 -1.75 117.12 115.67 1omr n MET 132 Ca 0.03 -0.02 -0.39 0.00 -1.81 0.00 0.00 57.70 55.52 1omr n MET 132 Cb 0.08 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.04 1omr n MET 132 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1omr s ILE 133 N -2.98 5.12 0.36 2.02 1.01 -0.32 -4.75 121.20 121.66 1omr s ILE 133 Ca 0.12 1.14 -0.27 0.00 0.00 0.00 0.00 60.65 61.65 1omr s ILE 133 Cb 0.18 -3.91 -0.09 0.00 0.01 0.00 0.00 42.46 38.65 1omr s ILE 133 CO 0.66 0.26 1.22 -0.94 0.00 0.00 0.00 174.94 176.14 1omr s SER 134 N 0.79 6.71 0.42 3.58 1.04 -1.26 -4.87 113.70 120.11 1omr s SER 134 Ca 0.30 2.48 0.26 0.00 0.48 0.00 0.00 55.95 59.47 1omr s SER 134 Cb -0.16 -2.63 1.32 0.00 0.10 0.00 0.00 66.02 64.65 1omr s SER 134 CO 0.13 -0.56 1.67 -0.65 0.98 0.00 0.00 173.24 174.81 1omr h PRO 135 N 3.10 0.17 -0.87 4.02 0.11 -1.96 0.25 132.00 136.82 1omr h PRO 135 Ca -0.49 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.69 1omr h PRO 135 Cb 1.23 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1omr h PRO 135 CO 0.64 0.11 0.57 1.49 -0.21 0.00 0.00 178.00 180.60 1omr h GLU 136 N 0.18 0.91 0.00 1.05 4.81 -1.96 -3.08 114.58 116.49 1omr h GLU 136 Ca 0.75 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.81 1omr h GLU 136 Cb 2.23 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 31.38 1omr h GLU 136 CO -0.40 0.60 -0.84 -0.44 -0.73 0.00 0.00 179.01 177.20 1omr h ASP 137 N 0.94 0.00 -0.02 1.04 3.32 -0.85 -3.36 116.42 117.49 1omr h ASP 137 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1omr h ASP 137 Cb 0.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1omr h ASP 137 CO -0.15 0.48 0.06 0.71 -1.72 0.00 0.00 179.24 178.61 1omr h THR 138 N 0.00 0.15 0.00 0.35 1.35 -1.47 -1.25 112.91 112.04 1omr h THR 138 Ca -0.06 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.78 1omr h THR 138 Cb 1.42 0.95 -0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1omr h THR 138 CO 0.05 0.00 -0.11 0.07 -0.25 0.00 0.00 175.52 175.29 1omr h LYS 139 N 0.00 0.00 -0.00 4.72 5.09 -1.73 -2.42 116.57 122.23 1omr h LYS 139 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.75 1omr h LYS 139 Cb 0.12 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.45 1omr h LYS 139 CO -0.00 0.11 -0.13 0.72 -2.09 0.00 0.00 179.45 178.05 1omr n HIS 140 N -3.22 0.00 -2.50 0.07 8.25 -0.47 -4.88 115.22 112.46 1omr n HIS 140 Ca 0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 1omr n HIS 140 Cb 0.39 -0.37 -0.04 0.00 1.12 0.00 0.00 29.99 31.09 1omr n HIS 140 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1omr s LEU 141 N -2.88 4.43 0.52 2.41 1.43 -0.91 -4.88 118.68 118.79 1omr s LEU 141 Ca 0.17 2.19 -0.21 0.00 -1.03 0.00 0.00 54.13 55.25 1omr s LEU 141 Cb 0.19 -3.80 -0.07 0.00 0.03 0.00 0.00 46.19 42.53 1omr s LEU 141 CO 0.55 -0.25 1.00 -2.65 0.23 0.00 0.00 176.35 175.24 1omr n PRO 142 N 0.80 1.16 -0.18 1.29 -0.02 -1.26 -4.69 135.00 132.10 1omr n PRO 142 Ca 0.01 0.43 -0.01 0.00 -2.02 0.00 0.00 63.50 61.91 1omr n PRO 142 Cb 0.46 -2.14 0.09 0.00 -0.02 0.00 0.00 33.50 31.90 1omr n PRO 142 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1omr h GLU 143 N 1.01 0.31 -0.25 -0.52 4.22 -1.96 -0.20 114.58 117.19 1omr h GLU 143 Ca -0.47 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.95 1omr h GLU 143 Cb 1.35 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1omr h GLU 143 CO 0.54 0.21 0.00 -0.40 -2.18 0.00 0.00 179.01 177.18 1omr n ASP 144 N -5.05 0.53 -0.45 1.04 5.75 -1.26 -3.11 116.55 114.00 1omr n ASP 144 Ca 0.07 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1omr n ASP 144 Cb 0.27 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1omr n ASP 144 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1omr n GLU 145 N -0.25 0.00 -0.25 0.11 1.02 -0.33 -4.36 120.64 116.58 1omr n GLU 145 Ca 0.02 -0.84 0.10 0.00 -0.02 0.00 0.00 57.16 56.42 1omr n GLU 145 Cb 0.11 -0.44 0.26 0.00 -0.02 0.00 0.00 31.44 31.35 1omr n GLU 145 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1omr n ASN 146 N 0.00 3.02 -4.04 1.62 0.23 -0.23 -4.68 115.26 111.17 1omr n ASN 146 Ca 0.00 -1.96 -0.08 0.00 -0.53 0.00 0.00 54.58 52.01 1omr n ASN 146 Cb 0.66 -0.33 -0.10 0.00 -2.08 0.00 0.00 39.78 37.93 1omr n ASN 146 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1omr s THR 147 N -1.34 0.19 0.22 5.53 -4.23 -1.26 -5.04 115.64 109.70 1omr s THR 147 Ca 0.38 -1.54 -0.08 0.00 -1.18 0.00 0.00 61.69 59.28 1omr s THR 147 Cb 0.20 -1.21 0.18 0.00 1.34 0.00 0.00 72.50 73.02 1omr s THR 147 CO 0.28 -0.85 1.86 -0.65 -0.54 0.00 0.00 174.62 174.71 1omr h PRO 148 N 3.46 0.92 -0.25 3.99 0.11 -1.91 -1.79 132.00 136.53 1omr h PRO 148 Ca -0.33 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 65.74 1omr h PRO 148 Cb 1.16 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1omr h PRO 148 CO 0.59 0.61 0.12 0.93 -0.21 0.00 0.00 178.00 180.05 1omr h GLU 149 N 0.95 0.26 -0.33 1.05 3.07 -1.97 -0.02 114.58 117.59 1omr h GLU 149 Ca 0.33 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.14 1omr h GLU 149 Cb 0.07 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1omr h GLU 149 CO -0.13 0.17 0.08 0.87 -1.40 0.00 0.00 179.01 178.59 1omr h LYS 150 N 0.26 0.52 -0.09 2.33 1.57 -1.81 -1.62 116.57 117.74 1omr h LYS 150 Ca 0.10 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1omr h LYS 150 Cb 0.03 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1omr h LYS 150 CO -0.07 0.59 0.03 0.00 -0.57 0.00 0.00 179.45 179.43 1omr h ARG 151 N 0.37 0.13 -0.81 3.15 3.08 -1.21 -1.50 114.38 117.59 1omr h ARG 151 Ca 0.10 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1omr h ARG 151 Cb 0.30 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1omr h ARG 151 CO 0.00 0.25 0.44 0.00 -1.07 0.00 0.00 179.97 179.59 1omr h ALA 152 N 0.87 1.25 -0.03 0.04 0.00 -0.98 -1.38 119.26 119.04 1omr h ALA 152 Ca 0.03 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1omr h ALA 152 Cb 0.17 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1omr h ALA 152 CO -0.00 0.60 -0.69 0.93 0.00 0.00 0.00 179.25 180.09 1omr h GLU 153 N 1.13 0.13 -0.57 0.00 5.08 -1.21 -2.01 114.58 117.13 1omr h GLU 153 Ca 0.28 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 1omr h GLU 153 Cb 0.03 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1omr h GLU 153 CO -0.05 0.77 -0.05 0.87 -1.00 0.00 0.00 179.01 179.55 1omr h LYS 154 N 0.09 1.03 -0.30 2.33 1.57 -0.75 0.71 116.57 121.24 1omr h LYS 154 Ca -0.01 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1omr h LYS 154 Cb 1.22 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1omr h LYS 154 CO 0.10 1.04 0.13 0.82 -0.57 0.00 0.00 179.45 180.97 1omr h ILE 155 N 0.93 1.17 -0.73 1.86 2.04 -1.14 0.15 117.51 121.78 1omr h ILE 155 Ca 0.16 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1omr h ILE 155 Cb 0.61 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1omr h ILE 155 CO 0.04 0.18 0.33 -0.25 0.00 0.00 0.00 178.15 178.45 1omr h TRP 156 N 0.35 1.06 -0.50 1.37 -0.00 -1.15 -2.13 115.95 114.95 1omr h TRP 156 Ca 0.10 -0.05 -0.10 0.00 -0.00 0.00 0.00 58.89 58.83 1omr h TRP 156 Cb 0.16 -0.33 -0.02 0.00 -0.00 0.00 0.00 29.16 28.97 1omr h TRP 156 CO -0.01 0.79 -0.10 0.78 -0.00 0.00 0.00 178.44 179.90 1omr h GLY 157 N 1.10 1.02 2.00 2.65 0.00 -0.50 -2.30 103.07 107.05 1omr h GLY 157 Ca 0.25 -0.83 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 1omr h GLY 157 CO -0.03 0.76 -0.10 0.74 0.00 0.00 0.00 176.54 177.91 1omr h PHE 158 N 0.80 0.00 -0.10 5.60 0.04 -0.58 0.22 116.94 122.92 1omr h PHE 158 Ca 0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1omr h PHE 158 Cb 0.65 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.80 1omr h PHE 158 CO 0.05 0.10 0.00 1.19 -0.60 0.00 0.00 178.31 179.04 1omr n PHE 159 N -4.15 0.13 -3.81 -0.55 3.72 -0.84 -4.92 117.46 107.04 1omr n PHE 159 Ca -0.03 -0.06 -0.26 0.00 -0.05 0.00 0.00 57.45 57.05 1omr n PHE 159 Cb 0.18 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.75 1omr n PHE 159 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1omr n GLY 160 N 1.09 -0.40 3.81 1.37 0.00 0.76 -4.97 105.19 106.84 1omr n GLY 160 Ca 0.17 0.17 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 1omr n GLY 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1omr s LYS 161 N -6.33 2.98 0.45 1.61 -0.14 -0.91 -5.05 119.74 112.37 1omr s LYS 161 Ca 0.36 -0.68 -0.01 0.00 -1.36 0.00 0.00 55.97 54.28 1omr s LYS 161 Cb -0.18 -2.77 -0.01 0.00 -1.68 0.00 0.00 37.83 33.20 1omr s LYS 161 CO 0.82 0.56 0.68 0.15 -0.76 0.00 0.00 175.35 176.80 1omr s LYS 162 N -2.55 3.15 0.31 1.68 1.02 -1.26 -4.74 119.74 117.35 1omr s LYS 162 Ca 0.31 -0.38 0.07 0.00 0.02 0.00 0.00 55.97 55.99 1omr s LYS 162 Cb -0.12 -2.54 0.86 0.00 -0.52 0.00 0.00 37.83 35.51 1omr s LYS 162 CO 0.23 -0.23 1.66 -0.44 -0.92 0.00 0.00 175.35 175.65 1omr h ASP 163 N 0.39 0.25 -0.49 2.83 3.32 -2.00 -1.82 116.42 118.92 1omr h ASP 163 Ca -0.47 0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.67 1omr h ASP 163 Cb 1.24 0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.93 1omr h ASP 163 CO 0.58 -0.12 0.09 0.47 -1.72 0.00 0.00 179.24 178.54 1omr n ASP 164 N -5.13 4.30 -4.87 6.45 9.92 -1.26 -4.55 116.55 121.42 1omr n ASP 164 Ca 0.26 -3.18 -0.30 0.00 -0.53 0.00 0.00 54.79 51.03 1omr n ASP 164 Cb 0.79 -0.65 0.05 0.00 -0.64 0.00 0.00 41.12 40.67 1omr n ASP 164 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1omr s ASP 165 N -1.55 5.37 -0.11 -2.24 1.01 -0.69 -5.06 116.67 113.41 1omr s ASP 165 Ca 0.49 1.22 0.01 0.00 0.71 0.00 0.00 52.55 54.97 1omr s ASP 165 Cb 0.40 -2.03 -0.02 0.00 1.01 0.00 0.00 42.92 42.27 1omr s ASP 165 CO 0.10 -1.40 -0.13 -0.54 0.21 0.00 0.00 175.17 173.42 1omr s LYS 166 N -5.29 3.15 -0.27 8.23 1.02 -1.26 -4.52 119.74 120.81 1omr s LYS 166 Ca 0.58 -0.67 -0.11 0.00 0.02 0.00 0.00 55.97 55.79 1omr s LYS 166 Cb -0.12 -2.58 -0.05 0.00 -0.52 0.00 0.00 37.83 34.56 1omr s LYS 166 CO 0.53 0.34 0.18 -1.17 -0.92 0.00 0.00 175.35 174.31 1omr s LEU 167 N 0.03 4.05 0.56 3.17 2.96 0.05 -4.89 118.68 124.61 1omr s LEU 167 Ca -0.04 0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.85 1omr s LEU 167 Cb -0.14 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1omr s LEU 167 CO 0.04 -0.01 0.87 0.42 -1.32 0.00 0.00 176.35 176.35 1omr s THR 168 N 1.51 3.84 0.20 3.68 -4.23 -1.26 -0.42 115.64 118.96 1omr s THR 168 Ca 0.07 -0.02 -0.07 0.00 -1.18 0.00 0.00 61.69 60.49 1omr s THR 168 Cb -0.15 -3.50 0.09 0.00 1.34 0.00 0.00 72.50 70.28 1omr s THR 168 CO 0.09 -0.50 1.69 -0.08 -0.54 0.00 0.00 174.62 175.28 1omr h GLU 169 N -0.07 1.04 -0.08 3.99 4.81 -1.99 0.30 114.58 122.58 1omr h GLU 169 Ca -0.46 -0.30 0.04 0.00 -0.13 0.00 0.00 59.36 58.52 1omr h GLU 169 Cb 1.25 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 1omr h GLU 169 CO 0.60 0.98 -0.19 -0.22 -0.73 0.00 0.00 179.01 179.46 1omr h LYS 170 N 0.96 -0.25 -0.27 1.92 3.64 -1.97 -0.89 116.57 119.71 1omr h LYS 170 Ca 0.18 0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.43 1omr h LYS 170 Cb 0.49 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1omr h LYS 170 CO 0.02 -0.17 -0.46 1.49 -2.27 0.00 0.00 179.45 178.06 1omr h GLU 171 N -0.26 0.70 -0.48 1.90 4.81 -1.91 -2.13 114.58 117.20 1omr h GLU 171 Ca 0.08 -0.39 0.04 0.00 -0.13 0.00 0.00 59.36 58.96 1omr h GLU 171 Cb 0.38 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1omr h GLU 171 CO -0.23 1.01 0.25 0.35 -0.73 0.00 0.00 179.01 179.66 1omr h PHE 172 N 0.56 0.46 -0.41 0.92 3.57 -0.64 0.27 116.94 121.66 1omr h PHE 172 Ca 0.03 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 1omr h PHE 172 Cb 1.01 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1omr h PHE 172 CO 0.05 0.24 -0.05 0.82 -2.23 0.00 0.00 178.31 177.13 1omr h ILE 173 N 0.50 1.27 -0.12 1.41 2.04 -1.10 -0.75 117.51 120.76 1omr h ILE 173 Ca 0.21 -1.12 0.01 0.00 1.00 0.00 0.00 64.86 64.96 1omr h ILE 173 Cb 0.10 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1omr h ILE 173 CO -0.14 0.38 0.03 -0.33 0.00 0.00 0.00 178.15 178.10 1omr h GLU 174 N 0.59 0.09 -0.38 2.37 5.08 -1.01 -2.03 114.58 119.28 1omr h GLU 174 Ca 0.11 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 1omr h GLU 174 Cb 0.56 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1omr h GLU 174 CO 0.03 0.06 -0.27 0.78 -1.00 0.00 0.00 179.01 178.61 1omr h GLY 175 N 0.09 0.87 2.00 -3.84 0.00 -0.88 0.85 103.07 102.15 1omr h GLY 175 Ca 0.05 -0.78 -0.04 0.00 0.00 0.00 0.00 47.33 46.56 1omr h GLY 175 CO -0.06 0.71 -0.21 -0.91 0.00 0.00 0.00 176.54 176.07 1omr h THR 176 N 0.68 0.49 0.00 4.70 1.35 -1.07 -0.93 112.91 118.13 1omr h THR 176 Ca 0.08 -1.13 -0.10 0.00 -0.55 0.00 0.00 66.41 64.71 1omr h THR 176 Cb 0.80 1.80 -0.02 0.00 -1.73 0.00 0.00 68.15 69.01 1omr h THR 176 CO 0.07 0.21 -0.58 -0.07 -0.25 0.00 0.00 175.52 174.90 1omr h LEU 177 N 0.00 0.00 0.02 3.87 3.38 -1.16 -3.40 115.31 118.02 1omr h LEU 177 Ca -0.00 -0.70 -0.00 0.00 0.09 0.00 0.00 57.88 57.27 1omr h LEU 177 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1omr h LEU 177 CO 0.03 1.19 -0.01 0.00 0.09 0.00 0.00 178.44 179.74 1omr h ALA 178 N -0.30 -0.02 -2.07 1.53 0.00 -0.85 -3.42 119.26 114.12 1omr h ALA 178 Ca -0.16 -0.31 -0.68 0.00 0.00 0.00 0.00 54.91 53.76 1omr h ALA 178 Cb 1.07 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.69 1omr h ALA 178 CO -0.09 -0.19 0.07 1.21 0.00 0.00 0.00 179.25 180.25 1omr s ASN 179 N -5.82 6.23 0.35 0.00 3.84 -0.36 -4.91 114.94 114.26 1omr s ASN 179 Ca -0.16 -0.91 0.26 0.00 0.21 0.00 0.00 52.86 52.25 1omr s ASN 179 Cb 0.00 -2.30 1.21 0.00 -0.55 0.00 0.00 41.25 39.62 1omr s ASN 179 CO 0.66 -0.92 1.78 0.11 -2.79 0.00 0.00 177.10 175.94 1omr h LYS 180 N 9.02 0.00 0.03 0.43 1.79 -1.82 -1.47 116.57 124.55 1omr h LYS 180 Ca -0.27 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 57.96 1omr h LYS 180 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1omr h LYS 180 CO 0.98 0.00 -1.00 0.93 -1.08 0.00 0.00 179.45 179.28 1omr h GLU 181 N 0.00 0.39 -0.37 3.15 5.08 -1.92 -1.42 114.58 119.49 1omr h GLU 181 Ca 0.00 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 57.85 1omr h GLU 181 Cb 0.22 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1omr h GLU 181 CO 0.00 1.13 0.00 0.82 -1.00 0.00 0.00 179.01 179.96 1omr h ILE 182 N 0.20 1.26 -0.30 3.13 2.04 -1.56 -1.58 117.51 120.70 1omr h ILE 182 Ca -0.09 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 64.83 1omr h ILE 182 Cb 1.65 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 38.86 1omr h ILE 182 CO 0.17 0.33 0.01 0.25 0.00 0.00 0.00 178.15 178.91 1omr h LEU 183 N 0.47 -0.09 -1.02 1.44 5.85 -1.39 0.12 115.31 120.69 1omr h LEU 183 Ca 0.10 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.95 1omr h LEU 183 Cb 0.46 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 1omr h LEU 183 CO 0.02 -0.01 0.65 -0.09 -0.34 0.00 0.00 178.44 178.67 1omr h ARG 184 N 0.11 1.16 0.01 1.25 2.43 -1.03 -1.03 114.38 117.27 1omr h ARG 184 Ca 0.14 -0.07 -0.22 0.00 -0.81 0.00 0.00 59.98 59.02 1omr h ARG 184 Cb 0.18 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1omr h ARG 184 CO -0.23 0.77 -1.08 -0.07 -1.51 0.00 0.00 179.97 177.85 1omr h LEU 185 N 1.19 0.03 0.00 3.80 3.38 -0.65 -3.29 115.31 119.78 1omr h LEU 185 Ca 0.43 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1omr h LEU 185 Cb 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1omr h LEU 185 CO -0.16 1.03 -0.53 2.30 0.09 0.00 0.00 178.44 181.17 1omr n ILE 186 N -3.34 0.39 -1.51 1.22 -6.64 0.34 -4.94 119.36 104.89 1omr n ILE 186 Ca -0.02 -0.28 -0.59 0.00 -1.77 0.00 0.00 62.75 60.09 1omr n ILE 186 Cb 0.96 -0.20 -0.08 0.00 -1.44 0.00 0.00 39.64 38.87 1omr n ILE 186 CO 0.00 0.00 0.00 1.67 -1.77 0.00 0.00 176.55 176.45 1omr n GLN 187 N -2.14 0.00 -0.00 6.28 -0.06 -0.41 -4.88 117.38 116.17 1omr n GLN 187 Ca 0.04 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.09 1omr n GLN 187 Cb 0.44 -1.37 -0.06 0.00 -4.06 0.00 0.00 30.24 25.18 1omr n GLN 187 CO 0.00 0.00 0.00 1.97 -0.20 0.00 0.00 177.06 178.83 1omr n PHE 188 N 2.78 0.00 -2.69 3.69 1.16 -1.26 -4.89 117.46 116.24 1omr n PHE 188 Ca 0.24 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.40 1omr n PHE 188 Cb -0.01 -0.01 -0.03 0.00 -1.61 0.00 0.00 39.48 37.83 1omr n PHE 188 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1omr s GLU 189 N -2.09 3.92 0.27 3.97 2.02 -1.26 -4.93 118.70 120.59 1omr s GLU 189 Ca 0.04 0.79 -0.01 0.00 0.02 0.00 0.00 54.97 55.82 1omr s GLU 189 Cb 0.08 -3.79 0.61 0.00 0.10 0.00 0.00 34.13 31.13 1omr s GLU 189 CO 0.46 -1.01 1.67 -1.35 0.02 0.00 0.00 175.26 175.06 1omr h PRO 190 N 8.45 0.27 -0.55 0.39 0.11 -1.92 -1.08 132.00 137.67 1omr h PRO 190 Ca -0.22 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.82 1omr h PRO 190 Cb 1.07 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1omr h PRO 190 CO 1.03 0.18 0.11 0.37 -0.21 0.00 0.00 178.00 179.49 1omr h GLN 191 N 0.28 0.86 -0.33 1.05 5.75 -1.92 -1.51 115.11 119.30 1omr h GLN 191 Ca 0.50 -0.19 -0.15 0.00 -0.15 0.00 0.00 58.65 58.66 1omr h GLN 191 Cb 0.93 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 1omr h GLN 191 CO -0.57 0.79 -0.40 0.87 -2.65 0.00 0.00 178.83 176.87 1omr h LYS 192 N 0.82 0.80 -0.15 1.69 1.57 -1.62 0.92 116.57 120.60 1omr h LYS 192 Ca 0.18 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1omr h LYS 192 Cb 0.33 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1omr h LYS 192 CO 0.00 1.05 0.05 0.28 -0.57 0.00 0.00 179.45 180.27 1omr h VAL 193 N 0.65 1.17 -0.16 0.50 2.07 -1.16 -2.51 116.25 116.80 1omr h VAL 193 Ca 0.05 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.07 1omr h VAL 193 Cb 0.97 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1omr h VAL 193 CO 0.09 0.16 0.08 0.50 0.02 0.00 0.00 177.57 178.41 1omr h LYS 194 N 0.07 0.16 0.00 1.57 3.64 -1.11 -0.09 116.57 120.81 1omr h LYS 194 Ca 0.05 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1omr h LYS 194 Cb 0.20 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1omr h LYS 194 CO -0.00 0.11 -0.11 0.93 -2.27 0.00 0.00 179.45 178.11 1omr h GLU 195 N 0.17 0.00 0.00 1.90 5.08 -0.79 -0.25 114.58 120.69 1omr h GLU 195 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1omr h GLU 195 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1omr h GLU 195 CO -0.05 0.11 -1.10 1.17 -1.00 0.00 0.00 179.01 178.14 1omr n LYS 196 N -3.52 0.58 -0.00 2.33 4.81 -0.95 -3.66 118.16 117.75 1omr n LYS 196 Ca -0.01 0.08 0.08 0.00 -0.87 0.00 0.00 58.31 57.58 1omr n LYS 196 Cb 0.25 -1.77 0.47 0.00 0.02 0.00 0.00 35.03 33.99 1omr n LYS 196 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1omr n LEU 197 N -2.57 0.01 -2.84 3.14 0.00 -0.07 -3.69 117.00 110.99 1omr n LEU 197 Ca -0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 56.01 55.89 1omr n LEU 197 Cb 0.54 -0.00 0.06 0.00 0.00 0.00 0.00 43.42 44.02 1omr n LEU 197 CO 0.41 0.00 0.20 1.17 0.00 0.00 0.00 177.39 179.17 1omr n LYS 198 N -0.74 1.03 0.00 1.96 4.81 -0.96 -4.62 118.16 119.64 1omr n LYS 198 Ca 0.12 -2.31 0.00 0.00 -0.87 0.00 0.00 58.31 55.25 1omr n LYS 198 Cb 0.06 -1.11 0.00 0.00 0.02 0.00 0.00 35.03 33.99 1omr n LYS 198 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1omr n GLU 199 N 0.24 0.00 0.00 1.64 0.28 -1.24 -4.95 120.64 116.62 1omr n GLU 199 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1omr n GLU 199 Cb 0.71 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.58 1omr n GLU 199 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1omr n LYS 200 N 0.00 0.00 -3.94 3.44 5.02 -1.26 -4.90 118.16 116.52 1omr n LYS 200 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1omr n LYS 200 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 1omr n LYS 200 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1omr s LYS 201 N 0.00 0.84 0.00 1.97 2.20 -1.26 -5.25 119.74 118.24 1omr s LYS 201 Ca 0.00 -1.07 0.00 0.00 -0.36 0.00 0.00 55.97 54.54 1omr s LYS 201 Cb 0.00 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 1omr s LYS 201 CO 0.00 -0.25 0.21 -0.11 -0.36 0.00 0.00 175.35 174.84