#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1icr h ILE 3 N 0.00 0.90 -0.29 2.12 6.09 -2.02 -2.85 117.51 121.45 1icr h ILE 3 Ca 0.00 -1.12 -0.16 0.00 -1.37 0.00 0.00 64.86 62.21 1icr h ILE 3 Cb 0.00 1.67 -0.01 0.00 0.47 0.00 0.00 36.82 38.95 1icr h ILE 3 CO 0.00 0.28 -0.45 0.40 -3.07 0.00 0.00 178.15 175.31 1icr h ILE 4 N 0.00 1.29 -0.72 2.19 1.08 -2.05 -1.23 117.51 118.08 1icr h ILE 4 Ca -0.00 -1.64 0.01 0.00 -0.39 0.00 0.00 64.86 62.84 1icr h ILE 4 Cb 0.64 1.55 -0.04 0.00 -3.07 0.00 0.00 36.82 35.90 1icr h ILE 4 CO 0.04 0.53 0.47 0.28 -0.69 0.00 0.00 178.15 178.78 1icr h SER 5 N 0.60 0.81 -0.27 1.72 0.02 -1.94 -0.98 113.55 113.51 1icr h SER 5 Ca 0.04 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1icr h SER 5 Cb 1.02 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 1icr h SER 5 CO 0.10 0.58 0.17 0.58 -1.14 0.00 0.00 176.83 177.12 1icr h VAL 6 N 0.96 1.09 -0.56 2.27 2.07 -1.33 -0.25 116.25 120.50 1icr h VAL 6 Ca 0.27 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 1icr h VAL 6 Cb -0.09 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1icr h VAL 6 CO -0.07 0.09 0.22 0.00 0.02 0.00 0.00 177.57 177.83 1icr h ALA 7 N 1.08 1.34 0.00 1.67 0.00 -0.79 -0.11 119.26 122.44 1icr h ALA 7 Ca 0.10 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1icr h ALA 7 Cb -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1icr h ALA 7 CO -0.02 0.50 -0.59 -0.07 0.00 0.00 0.00 179.25 179.07 1icr h LEU 8 N 0.80 0.00 0.00 0.00 3.38 -0.89 -3.35 115.31 115.25 1icr h LEU 8 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1icr h LEU 8 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1icr h LEU 8 CO -0.02 0.59 -1.71 0.29 0.09 0.00 0.00 178.44 177.68 1icr n LYS 9 N -3.25 0.60 -1.09 1.13 5.02 -0.13 -4.93 118.16 115.52 1icr n LYS 9 Ca 0.02 -0.12 -0.31 0.00 -2.02 0.00 0.00 58.31 55.88 1icr n LYS 9 Cb 0.77 -1.59 0.12 0.00 -0.02 0.00 0.00 35.03 34.31 1icr n LYS 9 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1icr s ARG 10 N -3.45 1.78 0.19 1.97 1.70 -0.08 -5.05 118.95 116.01 1icr s ARG 10 Ca -0.05 1.24 -0.23 0.00 -0.47 0.00 0.00 55.73 56.22 1icr s ARG 10 Cb 0.13 -1.84 0.06 0.00 -0.57 0.00 0.00 34.95 32.73 1icr s ARG 10 CO 0.88 -2.00 0.67 -3.38 -1.08 0.00 0.00 175.30 170.38 1icr s HIS 11 N -2.83 -0.40 -0.44 5.89 -3.43 -1.26 -5.01 115.29 107.80 1icr s HIS 11 Ca 0.63 0.11 -0.28 0.00 -0.80 0.00 0.00 55.06 54.72 1icr s HIS 11 Cb -0.19 0.61 0.03 0.00 -1.43 0.00 0.00 32.58 31.60 1icr s HIS 11 CO 0.57 -0.96 1.09 -1.12 -2.00 0.00 0.00 174.74 172.32 1icr s SER 12 N -2.80 6.67 0.11 7.38 0.01 -1.26 -4.48 113.70 119.34 1icr s SER 12 Ca 0.05 0.53 -0.31 0.00 1.31 0.00 0.00 55.95 57.53 1icr s SER 12 Cb -0.03 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 1icr s SER 12 CO -0.06 -1.15 1.32 -0.89 0.41 0.00 0.00 173.24 172.88 1icr s THR 13 N 4.19 3.49 -0.38 1.44 2.01 -0.55 -4.79 115.64 121.05 1icr s THR 13 Ca 0.46 1.09 0.22 0.00 0.31 0.00 0.00 61.69 63.77 1icr s THR 13 Cb -0.09 -3.70 -0.27 0.00 0.01 0.00 0.00 72.50 68.46 1icr s THR 13 CO 0.28 0.10 0.69 0.29 -0.69 0.00 0.00 174.62 175.28 1icr n LYS 14 N 3.76 0.43 -3.70 4.92 4.76 -1.26 -4.64 118.16 122.43 1icr n LYS 14 Ca 0.10 -0.11 -0.11 0.00 -2.87 0.00 0.00 58.31 55.32 1icr n LYS 14 Cb 0.43 -1.54 -0.10 0.00 -1.84 0.00 0.00 35.03 31.99 1icr n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1icr s ALA 15 N -3.33 -1.14 0.20 7.82 0.00 -1.26 -4.81 121.76 119.24 1icr s ALA 15 Ca -0.02 1.49 0.07 0.00 0.00 0.00 0.00 51.96 53.51 1icr s ALA 15 Cb 0.14 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1icr s ALA 15 CO 0.88 -0.25 0.03 -0.06 0.00 0.00 0.00 175.76 176.36 1icr s PHE 16 N 0.95 2.88 -0.50 0.00 0.40 -1.26 -1.56 117.98 118.88 1icr s PHE 16 Ca -0.06 -0.13 -0.20 0.00 -0.60 0.00 0.00 56.93 55.93 1icr s PHE 16 Cb -0.06 -1.36 0.05 0.00 0.51 0.00 0.00 43.02 42.15 1icr s PHE 16 CO -0.08 0.54 0.69 0.34 0.70 0.00 0.00 175.22 177.41 1icr s ASP 17 N -3.17 6.27 0.67 1.36 -1.08 0.74 -4.50 116.67 116.96 1icr s ASP 17 Ca 0.29 -0.67 0.44 0.00 -0.52 0.00 0.00 52.55 52.10 1icr s ASP 17 Cb -0.09 -2.33 2.41 0.00 -1.46 0.00 0.00 42.92 41.45 1icr s ASP 17 CO 0.20 -0.93 2.37 0.00 0.52 0.00 0.00 175.17 177.32 1icr h ALA 18 N 9.03 1.01 0.00 3.66 0.00 -1.86 -2.36 119.26 128.74 1icr h ALA 18 Ca -0.27 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1icr h ALA 18 Cb 1.09 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1icr h ALA 18 CO 0.97 0.00 -0.23 0.66 0.00 0.00 0.00 179.25 180.65 1icr h SER 19 N 0.00 0.00 -3.23 0.00 4.64 -1.92 -3.43 113.55 109.60 1icr h SER 19 Ca -0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 1icr h SER 19 Cb 0.02 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.96 1icr h SER 19 CO 0.00 0.08 0.36 -0.54 -0.87 0.00 0.00 176.83 175.86 1icr s LYS 20 N -3.19 3.25 0.20 4.77 1.02 -0.89 -5.03 119.74 119.87 1icr s LYS 20 Ca 0.05 -0.50 0.04 0.00 0.02 0.00 0.00 55.97 55.59 1icr s LYS 20 Cb 0.06 -4.07 -0.03 0.00 -0.52 0.00 0.00 37.83 33.27 1icr s LYS 20 CO 0.70 -1.37 0.29 0.15 -0.92 0.00 0.00 175.35 174.20 1icr s LYS 21 N 3.43 3.34 0.55 1.68 -0.14 -1.26 -4.43 119.74 122.91 1icr s LYS 21 Ca 0.25 -0.73 -0.19 0.00 -1.36 0.00 0.00 55.97 53.94 1icr s LYS 21 Cb -0.15 -2.87 -0.06 0.00 -1.68 0.00 0.00 37.83 33.08 1icr s LYS 21 CO 0.16 0.47 1.10 -0.51 -0.76 0.00 0.00 175.35 175.81 1icr s LEU 22 N -3.59 3.70 0.71 3.17 1.02 -1.26 -5.02 118.68 117.41 1icr s LEU 22 Ca 0.34 2.05 -0.11 0.00 0.02 0.00 0.00 54.13 56.43 1icr s LEU 22 Cb -0.10 -4.57 0.01 0.00 0.02 0.00 0.00 46.19 41.56 1icr s LEU 22 CO 0.28 -1.15 1.07 0.42 0.02 0.00 0.00 176.35 176.99 1icr s THR 23 N -1.97 3.79 0.41 5.49 -4.23 -1.26 -4.80 115.64 113.07 1icr s THR 23 Ca 0.70 0.58 0.11 0.00 -1.18 0.00 0.00 61.69 61.90 1icr s THR 23 Cb -0.21 -3.45 0.32 0.00 1.34 0.00 0.00 72.50 70.50 1icr s THR 23 CO 0.28 -0.76 1.97 -0.65 -0.54 0.00 0.00 174.62 174.92 1icr h PRO 24 N -0.70 0.50 -0.10 3.99 0.11 -1.99 -0.11 132.00 133.70 1icr h PRO 24 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1icr h PRO 24 Cb 1.23 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1icr h PRO 24 CO 0.61 0.33 0.03 1.49 -0.21 0.00 0.00 178.00 180.25 1icr h GLU 25 N 0.52 0.16 -0.41 1.05 4.81 -2.00 -1.98 114.58 116.73 1icr h GLU 25 Ca 0.30 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.43 1icr h GLU 25 Cb 0.47 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1icr h GLU 25 CO -0.09 0.31 -0.00 1.96 -0.73 0.00 0.00 179.01 180.46 1icr h GLN 26 N -0.02 0.66 -0.56 1.92 4.20 -1.70 0.11 115.11 119.71 1icr h GLN 26 Ca 0.03 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 1icr h GLN 26 Cb 0.22 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1icr h GLN 26 CO -0.00 0.68 0.23 0.00 -0.67 0.00 0.00 178.83 179.07 1icr h ALA 27 N 1.38 1.36 -0.10 3.87 0.00 -0.84 -1.01 119.26 123.92 1icr h ALA 27 Ca 0.13 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1icr h ALA 27 Cb 0.39 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1icr h ALA 27 CO 0.01 0.49 -0.63 1.49 0.00 0.00 0.00 179.25 180.61 1icr h GLU 28 N 0.80 0.61 -0.90 0.00 4.57 -0.70 -3.25 114.58 115.70 1icr h GLU 28 Ca 0.19 -0.52 0.01 0.00 -1.18 0.00 0.00 59.36 57.86 1icr h GLU 28 Cb 0.14 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 1icr h GLU 28 CO -0.02 1.14 0.59 1.96 -1.18 0.00 0.00 179.01 181.50 1icr h GLN 29 N 0.24 1.18 0.00 1.92 4.20 -0.46 -1.93 115.11 120.26 1icr h GLN 29 Ca -0.05 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 1icr h GLN 29 Cb 1.28 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 1icr h GLN 29 CO 0.13 0.79 -0.41 -0.84 -0.67 0.00 0.00 178.83 177.82 1icr h ILE 30 N 1.22 1.29 -0.18 2.54 3.07 -1.27 -1.62 117.51 122.56 1icr h ILE 30 Ca 0.33 -1.43 -0.14 0.00 1.55 0.00 0.00 64.86 65.17 1icr h ILE 30 Cb -0.13 1.77 -0.01 0.00 -0.27 0.00 0.00 36.82 38.18 1icr h ILE 30 CO -0.07 0.41 -0.48 0.11 -1.05 0.00 0.00 178.15 177.07 1icr h LYS 31 N 0.00 0.46 -0.65 0.16 1.57 -1.43 -2.42 116.57 114.26 1icr h LYS 31 Ca -0.00 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 1icr h LYS 31 Cb 0.74 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1icr h LYS 31 CO 0.05 0.84 0.22 1.15 -0.57 0.00 0.00 179.45 181.15 1icr h THR 32 N 0.37 1.25 -0.53 -0.16 2.02 -0.69 -1.78 112.91 113.39 1icr h THR 32 Ca 0.02 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1icr h THR 32 Cb 0.98 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1icr h THR 32 CO 0.09 0.32 0.34 -0.07 0.37 0.00 0.00 175.52 176.57 1icr h LEU 33 N 0.93 0.61 -0.26 2.58 3.38 -1.05 -1.29 115.31 120.21 1icr h LEU 33 Ca 0.21 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1icr h LEU 33 Cb 0.27 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1icr h LEU 33 CO -0.01 0.45 0.15 -0.07 0.09 0.00 0.00 178.44 179.05 1icr h LEU 34 N 0.71 0.32 -0.54 1.67 3.38 -1.18 -3.10 115.31 116.58 1icr h LEU 34 Ca 0.19 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1icr h LEU 34 Cb -0.07 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1icr h LEU 34 CO -0.04 0.30 0.10 -0.61 0.09 0.00 0.00 178.44 178.27 1icr h GLN 35 N 0.32 0.88 -0.26 1.13 4.15 -1.09 -3.28 115.11 116.96 1icr h GLN 35 Ca 0.09 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.28 1icr h GLN 35 Cb 0.04 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1icr h GLN 35 CO -0.02 0.85 0.00 0.66 -1.93 0.00 0.00 178.83 178.40 1icr n TYR 36 N -4.38 0.34 -1.97 3.99 4.02 -0.51 -4.92 117.16 113.74 1icr n TYR 36 Ca 0.02 -0.17 -0.38 0.00 -0.01 0.00 0.00 57.90 57.36 1icr n TYR 36 Cb 0.26 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.60 1icr n TYR 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1icr s SER 37 N -1.19 5.54 0.84 7.72 0.15 -1.17 -5.00 113.70 120.59 1icr s SER 37 Ca 0.25 2.56 -0.13 0.00 0.70 0.00 0.00 55.95 59.33 1icr s SER 37 Cb 0.13 -2.62 0.10 0.00 -1.71 0.00 0.00 66.02 61.92 1icr s SER 37 CO 0.18 -1.37 1.20 -2.16 1.20 0.00 0.00 173.24 172.30 1icr s PRO 38 N -2.90 1.71 -0.03 5.44 0.04 -1.26 -5.02 135.00 132.97 1icr s PRO 38 Ca 0.70 0.02 -0.29 0.00 0.04 0.00 0.00 61.00 61.47 1icr s PRO 38 Cb -0.35 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.36 1icr s PRO 38 CO 0.41 -1.76 0.86 -1.54 0.04 0.00 0.00 177.00 175.01 1icr s SER 39 N -4.62 -0.43 0.11 6.66 1.04 -1.26 -4.74 113.70 110.46 1icr s SER 39 Ca 0.64 0.21 -0.33 0.00 0.48 0.00 0.00 55.95 56.94 1icr s SER 39 Cb -0.10 0.41 -0.13 0.00 0.10 0.00 0.00 66.02 66.30 1icr s SER 39 CO 0.50 -0.58 1.69 -0.24 0.98 0.00 0.00 173.24 175.58 1icr n SER 40 N 0.16 3.38 -1.22 7.02 2.88 -1.26 -0.76 113.62 123.83 1icr n SER 40 Ca -0.11 1.04 -0.14 0.00 -1.33 0.00 0.00 58.87 58.33 1icr n SER 40 Cb 0.60 -1.44 -0.06 0.00 -0.75 0.00 0.00 64.21 62.56 1icr n SER 40 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1icr n THR 41 N 4.00 0.00 -2.73 2.46 -2.24 -1.26 -1.07 114.28 113.44 1icr n THR 41 Ca 0.18 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.77 1icr n THR 41 Cb 0.31 -1.43 0.01 0.00 -2.10 0.00 0.00 70.33 67.11 1icr n THR 41 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1icr n ASN 42 N -0.75 -5.20 0.27 3.42 5.15 0.07 -4.86 115.26 113.35 1icr n ASN 42 Ca -0.14 -0.10 0.13 0.00 -0.60 0.00 0.00 54.58 53.87 1icr n ASN 42 Cb 0.52 -4.30 0.76 0.00 -0.53 0.00 0.00 39.78 36.23 1icr n ASN 42 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1icr h SER 43 N -0.55 0.00 -6.99 1.20 4.64 -1.28 -3.47 113.55 107.10 1icr h SER 43 Ca -0.45 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.29 1icr h SER 43 Cb 1.32 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.28 1icr h SER 43 CO 0.52 0.09 -0.94 0.00 -0.87 0.00 0.00 176.83 175.62 1icr n GLN 44 N -3.78 -0.65 -0.97 4.77 6.02 -1.26 -4.76 117.38 116.74 1icr n GLN 44 Ca -0.02 0.06 -0.19 0.00 -0.01 0.00 0.00 57.00 56.84 1icr n GLN 44 Cb 0.19 -2.94 -0.11 0.00 1.02 0.00 0.00 30.24 28.40 1icr n GLN 44 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1icr n PRO 45 N -4.62 2.28 -4.13 -1.09 -0.04 -1.26 -4.87 135.00 121.27 1icr n PRO 45 Ca -0.23 -1.26 -0.10 0.00 -0.04 0.00 0.00 63.50 61.86 1icr n PRO 45 Cb 0.61 -2.20 -0.09 0.00 -0.04 0.00 0.00 33.50 31.78 1icr n PRO 45 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1icr s TRP 46 N 1.68 0.87 -0.03 0.54 -2.14 -1.26 -1.36 118.94 117.24 1icr s TRP 46 Ca 0.60 -1.19 -0.07 0.00 2.66 0.00 0.00 56.10 58.10 1icr s TRP 46 Cb 0.24 -0.40 0.01 0.00 -3.10 0.00 0.00 33.47 30.21 1icr s TRP 46 CO -0.02 -0.63 0.16 -1.58 -2.66 0.00 0.00 176.95 172.23 1icr s HIS 47 N -4.08 -0.08 -0.02 1.66 2.46 -0.56 -4.90 115.29 109.77 1icr s HIS 47 Ca 0.29 0.17 0.07 0.00 0.47 0.00 0.00 55.06 56.05 1icr s HIS 47 Cb 0.06 0.01 -0.02 0.00 -0.13 0.00 0.00 32.58 32.51 1icr s HIS 47 CO 0.06 -0.20 -0.22 -0.06 -2.47 0.00 0.00 174.74 171.85 1icr s PHE 48 N -0.69 1.99 -0.24 3.88 0.08 -1.26 -0.88 117.98 120.86 1icr s PHE 48 Ca -0.08 -0.40 -0.02 0.00 0.12 0.00 0.00 56.93 56.55 1icr s PHE 48 Cb -0.05 -1.29 0.02 0.00 -0.57 0.00 0.00 43.02 41.14 1icr s PHE 48 CO 0.01 -0.05 -0.07 0.42 -0.10 0.00 0.00 175.22 175.42 1icr s ILE 49 N -0.46 2.86 -0.40 0.64 1.01 -0.71 -4.95 121.20 119.19 1icr s ILE 49 Ca 0.07 -0.95 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 1icr s ILE 49 Cb -0.09 -2.41 0.07 0.00 0.01 0.00 0.00 42.46 40.03 1icr s ILE 49 CO -0.00 0.26 0.21 -0.69 0.00 0.00 0.00 174.94 174.72 1icr s VAL 50 N 1.34 4.07 -0.31 2.92 1.01 -1.26 -0.17 120.40 128.00 1icr s VAL 50 Ca 0.01 -1.35 -0.16 0.00 0.00 0.00 0.00 61.98 60.48 1icr s VAL 50 Cb -0.16 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1icr s VAL 50 CO -0.05 -0.42 0.44 0.00 0.00 0.00 0.00 175.10 175.06 1icr s ALA 51 N 1.41 3.52 0.00 5.51 0.00 0.37 -4.89 121.76 127.67 1icr s ALA 51 Ca 0.02 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1icr s ALA 51 Cb -0.22 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1icr s ALA 51 CO 0.02 -0.96 0.00 -1.13 0.00 0.00 0.00 175.76 173.69 1icr n SER 52 N 5.51 3.77 -4.90 0.00 3.41 -1.26 -0.70 113.62 119.45 1icr n SER 52 Ca -0.07 -0.07 -0.29 0.00 -0.26 0.00 0.00 58.87 58.18 1icr n SER 52 Cb 0.50 0.90 -0.02 0.00 -0.26 0.00 0.00 64.21 65.33 1icr n SER 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1icr s THR 53 N -1.65 4.90 0.25 6.66 -4.23 -1.26 -4.89 115.64 115.42 1icr s THR 53 Ca 0.00 0.29 -0.06 0.00 -1.18 0.00 0.00 61.69 60.74 1icr s THR 53 Cb 0.00 -3.78 0.23 0.00 1.34 0.00 0.00 72.50 70.29 1icr s THR 53 CO 0.00 -0.58 1.90 -0.33 -0.54 0.00 0.00 174.62 175.07 1icr h GLU 54 N 1.00 1.26 -0.40 3.99 4.39 -1.96 -0.57 114.58 122.30 1icr h GLU 54 Ca -0.47 -0.11 -0.13 0.00 0.34 0.00 0.00 59.36 58.98 1icr h GLU 54 Cb 1.20 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1icr h GLU 54 CO 0.63 0.88 -0.27 0.93 -1.16 0.00 0.00 179.01 180.02 1icr h GLU 55 N 1.29 0.84 -0.30 2.33 4.39 -1.99 -0.88 114.58 120.26 1icr h GLU 55 Ca 0.33 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1icr h GLU 55 Cb -0.06 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1icr h GLU 55 CO -0.06 1.01 0.08 0.78 -1.16 0.00 0.00 179.01 179.66 1icr h GLY 56 N 0.92 0.50 1.50 -3.84 0.00 -1.81 -1.67 103.07 98.68 1icr h GLY 56 Ca 0.09 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 1icr h GLY 56 CO 0.07 0.29 -0.09 0.50 0.00 0.00 0.00 176.54 177.31 1icr h LYS 57 N 0.32 0.60 -0.67 4.80 1.57 -1.05 -2.19 116.57 119.94 1icr h LYS 57 Ca 0.09 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1icr h LYS 57 Cb 0.27 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1icr h LYS 57 CO -0.00 0.69 0.33 0.00 -0.57 0.00 0.00 179.45 179.89 1icr h ALA 58 N 1.35 1.32 -0.62 3.86 0.00 -0.84 0.50 119.26 124.82 1icr h ALA 58 Ca 0.10 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1icr h ALA 58 Cb 0.49 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1icr h ALA 58 CO 0.03 0.54 0.18 0.00 0.00 0.00 0.00 179.25 179.99 1icr h ARG 59 N 0.94 0.98 -0.45 0.00 3.08 -0.70 -2.69 114.38 115.55 1icr h ARG 59 Ca 0.23 -0.22 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1icr h ARG 59 Cb 0.09 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1icr h ARG 59 CO -0.03 0.88 -0.11 0.28 -1.07 0.00 0.00 179.97 179.92 1icr h VAL 60 N 0.90 1.27 0.00 2.04 2.07 -1.00 -2.82 116.25 118.71 1icr h VAL 60 Ca 0.20 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1icr h VAL 60 Cb 0.32 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1icr h VAL 60 CO -0.00 0.42 0.00 0.00 0.02 0.00 0.00 177.57 178.00 1icr h ALA 61 N 0.87 1.00 -0.04 1.67 0.00 -0.67 -1.05 119.26 121.03 1icr h ALA 61 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1icr h ALA 61 Cb 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1icr h ALA 61 CO 0.04 0.00 0.04 0.87 0.00 0.00 0.00 179.25 180.20 1icr h LYS 62 N 0.00 0.00 0.00 0.00 1.57 -1.21 -0.68 116.57 116.25 1icr h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1icr h LYS 62 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1icr h LYS 62 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 1icr n SER 63 N -4.21 0.72 -0.67 0.86 3.41 -0.40 -2.19 113.62 111.14 1icr n SER 63 Ca -0.02 0.68 0.10 0.00 -0.26 0.00 0.00 58.87 59.37 1icr n SER 63 Cb 0.13 -0.83 0.05 0.00 -0.26 0.00 0.00 64.21 63.30 1icr n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1icr n ALA 64 N -1.79 2.84 -1.81 7.33 0.00 -0.27 -0.71 120.51 126.10 1icr n ALA 64 Ca 0.02 -0.64 -0.42 0.00 0.00 0.00 0.00 53.44 52.41 1icr n ALA 64 Cb 0.23 -0.70 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 1icr n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1icr s ALA 65 N -1.94 3.73 0.00 0.00 0.00 -0.93 0.66 121.76 123.28 1icr s ALA 65 Ca 0.21 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1icr s ALA 65 Cb 0.17 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1icr s ALA 65 CO 0.36 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1icr n GLY 66 N 2.46 1.01 0.28 0.00 0.00 -1.26 -4.47 105.19 103.21 1icr n GLY 66 Ca 0.09 -1.03 0.15 0.00 0.00 0.00 0.00 46.02 45.23 1icr n GLY 66 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1icr h ASN 67 N 0.00 0.00 -0.19 1.61 2.35 -1.96 -2.61 115.58 114.77 1icr h ASN 67 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1icr h ASN 67 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1icr h ASN 67 CO 0.00 0.07 -0.05 -1.22 -1.65 0.00 0.00 177.43 174.59 1icr n TYR 68 N -3.57 0.65 -0.37 1.19 4.01 -1.17 -4.78 117.16 113.13 1icr n TYR 68 Ca -0.02 -1.10 0.31 0.00 -0.16 0.00 0.00 57.90 56.93 1icr n TYR 68 Cb 0.19 -0.30 0.63 0.00 -0.31 0.00 0.00 39.34 39.55 1icr n TYR 68 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1icr h VAL 69 N 1.08 0.38 0.00 -0.72 3.04 0.63 0.13 116.25 120.78 1icr h VAL 69 Ca 0.05 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1icr h VAL 69 Cb 1.34 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 1icr h VAL 69 CO 0.18 0.04 0.00 0.49 -1.01 0.00 0.00 177.57 177.27 1icr n PHE 70 N -4.48 0.00 0.87 3.17 3.72 -1.26 -1.88 117.46 117.61 1icr n PHE 70 Ca 0.29 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.78 1icr n PHE 70 Cb 1.16 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.69 1icr n PHE 70 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1icr n ASN 71 N -0.95 1.81 -0.03 4.37 3.02 0.47 -4.52 115.26 119.42 1icr n ASN 71 Ca 0.16 -1.40 -0.11 0.00 -0.03 0.00 0.00 54.58 53.19 1icr n ASN 71 Cb 0.07 0.50 -0.05 0.00 -0.61 0.00 0.00 39.78 39.69 1icr n ASN 71 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1icr h GLU 72 N 2.06 0.20 -1.00 3.52 5.08 -1.48 -2.97 114.58 119.99 1icr h GLU 72 Ca 0.00 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 1icr h GLU 72 Cb 0.65 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.79 1icr h GLU 72 CO 0.00 0.27 0.64 0.00 -1.00 0.00 0.00 179.01 178.92 1icr h ARG 73 N 0.09 1.02 -0.71 2.33 2.47 -1.79 -0.50 114.38 117.27 1icr h ARG 73 Ca 0.05 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1icr h ARG 73 Cb 0.14 -0.23 -0.04 0.00 -1.65 0.00 0.00 29.97 28.19 1icr h ARG 73 CO -0.01 0.67 0.47 0.87 0.56 0.00 0.00 179.97 182.54 1icr h LYS 74 N 1.05 0.93 0.00 0.04 1.57 -1.81 0.26 116.57 118.60 1icr h LYS 74 Ca 0.47 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 1icr h LYS 74 Cb 0.39 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1icr h LYS 74 CO -0.23 0.62 -0.03 0.52 -0.57 0.00 0.00 179.45 179.75 1icr h MET 75 N 0.96 0.00 0.04 3.15 2.86 -1.03 -2.92 114.93 117.99 1icr h MET 75 Ca 0.26 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.52 1icr h MET 75 Cb -0.10 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.50 1icr h MET 75 CO -0.06 0.03 -2.30 1.28 1.06 0.00 0.00 176.91 176.92 1icr n LEU 76 N -3.12 2.64 0.11 1.22 4.77 -0.34 -4.55 117.00 117.72 1icr n LEU 76 Ca 0.01 -0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1icr n LEU 76 Cb 0.38 -0.86 -0.01 0.00 -2.33 0.00 0.00 43.42 40.60 1icr n LEU 76 CO 0.30 0.87 0.35 0.44 -1.33 0.00 0.00 177.39 178.02 1icr h ASP 77 N 0.02 0.00 -4.12 -1.43 3.32 -0.59 -3.46 116.42 110.16 1icr h ASP 77 Ca -0.52 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.00 1icr h ASP 77 Cb 1.97 0.00 0.12 0.00 0.22 0.00 0.00 39.33 41.63 1icr h ASP 77 CO -0.02 0.70 0.45 0.00 -1.72 0.00 0.00 179.24 178.65 1icr s ALA 78 N -2.93 2.49 0.05 3.45 0.00 -1.10 -3.49 121.76 120.23 1icr s ALA 78 Ca 0.02 0.94 -0.26 0.00 0.00 0.00 0.00 51.96 52.66 1icr s ALA 78 Cb 0.09 -3.44 -0.17 0.00 0.00 0.00 0.00 23.12 19.60 1icr s ALA 78 CO 0.77 -1.24 1.53 1.03 0.00 0.00 0.00 175.76 177.85 1icr h SER 79 N 0.67 -0.22 -4.09 0.00 0.87 -1.56 -3.44 113.55 105.78 1icr h SER 79 Ca -0.50 -0.11 -0.50 0.00 -1.23 0.00 0.00 61.79 59.45 1icr h SER 79 Cb 1.29 0.06 -0.30 0.00 -0.44 0.00 0.00 62.40 63.01 1icr h SER 79 CO 0.54 -0.02 -0.82 -1.00 -0.53 0.00 0.00 176.83 175.01 1icr s HIS 80 N -5.51 1.34 -0.15 2.24 3.76 -0.76 -4.55 115.29 111.65 1icr s HIS 80 Ca -0.15 -0.30 0.01 0.00 -0.15 0.00 0.00 55.06 54.47 1icr s HIS 80 Cb 0.04 -0.89 0.02 0.00 1.11 0.00 0.00 32.58 32.86 1icr s HIS 80 CO 0.63 -0.07 -0.16 0.08 -0.85 0.00 0.00 174.74 174.37 1icr s VAL 81 N -0.17 1.72 -0.22 -0.90 1.01 0.12 0.70 120.40 122.65 1icr s VAL 81 Ca 0.02 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 1icr s VAL 81 Cb -0.07 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1icr s VAL 81 CO 0.00 0.48 0.10 -0.69 0.00 0.00 0.00 175.10 175.00 1icr s VAL 82 N 1.32 4.85 -0.32 2.92 1.01 -0.54 -0.48 120.40 129.17 1icr s VAL 82 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 1icr s VAL 82 Cb -0.13 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1icr s VAL 82 CO -0.09 0.38 0.20 -0.69 0.00 0.00 0.00 175.10 174.89 1icr s VAL 83 N 1.00 5.07 -0.24 2.92 1.01 0.77 -0.36 120.40 130.57 1icr s VAL 83 Ca 0.05 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.64 1icr s VAL 83 Cb -0.14 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1icr s VAL 83 CO 0.03 0.08 0.68 -0.36 0.00 0.00 0.00 175.10 175.53 1icr s PHE 84 N 1.70 3.31 0.10 5.22 0.08 0.06 -1.74 117.98 126.70 1icr s PHE 84 Ca 0.06 0.91 0.10 0.00 0.12 0.00 0.00 56.93 58.12 1icr s PHE 84 Cb -0.17 -2.88 -0.04 0.00 -0.57 0.00 0.00 43.02 39.37 1icr s PHE 84 CO 0.09 -0.31 -0.25 0.00 -0.10 0.00 0.00 175.22 174.65 1icr s ALA 86 N -0.99 2.88 0.58 0.00 0.00 -0.43 -1.50 121.76 122.29 1icr s ALA 86 Ca 0.12 -1.32 -0.19 0.00 0.00 0.00 0.00 51.96 50.57 1icr s ALA 86 Cb -0.10 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1icr s ALA 86 CO 0.04 0.59 1.18 0.15 0.00 0.00 0.00 175.76 177.73 1icr s LYS 87 N -2.32 3.11 0.06 0.00 1.02 -0.47 -1.57 119.74 119.57 1icr s LYS 87 Ca 0.21 1.74 0.24 0.00 0.02 0.00 0.00 55.97 58.18 1icr s LYS 87 Cb -0.10 -1.96 0.32 0.00 -0.52 0.00 0.00 37.83 35.56 1icr s LYS 87 CO 0.13 -1.07 1.27 0.25 -0.92 0.00 0.00 175.35 175.01 1icr n THR 88 N -1.49 0.18 -3.62 2.17 -2.24 -0.79 -4.83 114.28 103.66 1icr n THR 88 Ca 0.13 -0.17 -0.14 0.00 -2.27 0.00 0.00 64.05 61.60 1icr n THR 88 Cb 0.50 0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.77 1icr n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1icr s ALA 89 N -3.11 -1.78 -0.70 6.98 0.00 -1.26 -4.75 121.76 117.14 1icr s ALA 89 Ca 0.07 1.95 -0.17 0.00 0.00 0.00 0.00 51.96 53.81 1icr s ALA 89 Cb 0.15 -1.06 0.14 0.00 0.00 0.00 0.00 23.12 22.35 1icr s ALA 89 CO 0.74 -0.34 0.76 1.41 0.00 0.00 0.00 175.76 178.32 1icr s MET 90 N 0.21 3.27 0.48 0.00 1.75 -1.26 -5.05 119.30 118.70 1icr s MET 90 Ca -0.01 -1.75 -0.09 0.00 -1.25 0.00 0.00 55.69 52.59 1icr s MET 90 Cb -0.04 -4.42 -0.05 0.00 2.84 0.00 0.00 34.83 33.16 1icr s MET 90 CO 0.02 -1.48 0.83 0.16 -0.65 0.00 0.00 175.02 173.90 1icr s ASP 91 N 3.24 6.36 0.45 1.11 1.47 -1.26 -4.97 116.67 123.07 1icr s ASP 91 Ca 0.15 1.12 0.13 0.00 1.18 0.00 0.00 52.55 55.13 1icr s ASP 91 Cb -0.18 -2.33 1.02 0.00 -0.34 0.00 0.00 42.92 41.09 1icr s ASP 91 CO -0.01 -0.57 2.03 0.44 0.68 0.00 0.00 175.17 177.75 1icr h ASP 92 N 0.51 0.11 -0.82 2.11 3.32 -1.99 -2.00 116.42 117.66 1icr h ASP 92 Ca -0.46 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 1icr h ASP 92 Cb 1.20 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 1icr h ASP 92 CO 0.62 0.19 0.49 0.58 -1.72 0.00 0.00 179.24 179.41 1icr h VAL 93 N 0.12 1.23 -0.25 -1.35 2.07 -1.99 -0.12 116.25 115.96 1icr h VAL 93 Ca 0.03 -0.50 -0.16 0.00 0.82 0.00 0.00 66.70 66.88 1icr h VAL 93 Cb 0.18 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1icr h VAL 93 CO 0.01 0.24 -0.48 -0.25 0.02 0.00 0.00 177.57 177.11 1icr h TRP 94 N 1.13 0.96 -0.83 1.57 2.91 -1.77 -1.34 115.95 118.58 1icr h TRP 94 Ca 0.30 -0.35 0.02 0.00 1.13 0.00 0.00 58.89 59.99 1icr h TRP 94 Cb -0.05 -0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 28.38 1icr h TRP 94 CO 0.00 1.14 0.55 -0.07 -1.03 0.00 0.00 178.44 179.04 1icr h LEU 95 N 0.50 0.94 -0.61 0.65 3.38 -1.01 -0.59 115.31 118.57 1icr h LEU 95 Ca 0.01 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1icr h LEU 95 Cb 1.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1icr h LEU 95 CO 0.11 0.67 -0.40 0.50 0.09 0.00 0.00 178.44 179.41 1icr h LYS 96 N 1.10 0.66 -0.49 1.13 3.64 -0.98 -2.30 116.57 119.34 1icr h LYS 96 Ca 0.31 -0.34 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1icr h LYS 96 Cb -0.09 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 1icr h LYS 96 CO -0.08 0.94 0.23 1.25 -2.27 0.00 0.00 179.45 179.52 1icr h LEU 97 N 0.54 0.33 0.04 5.20 5.85 -0.32 0.56 115.31 127.50 1icr h LEU 97 Ca 0.05 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1icr h LEU 97 Cb 0.92 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1icr h LEU 97 CO 0.08 0.23 -0.02 0.58 -0.34 0.00 0.00 178.44 178.97 1icr h VAL 98 N 0.46 1.11 -0.18 1.05 2.07 -0.94 -2.01 116.25 117.82 1icr h VAL 98 Ca 0.22 -0.50 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 1icr h VAL 98 Cb 0.14 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1icr h VAL 98 CO -0.16 0.13 -0.33 1.62 0.02 0.00 0.00 177.57 178.84 1icr h VAL 99 N -0.27 1.28 -0.16 2.57 3.04 -1.25 -1.48 116.25 119.98 1icr h VAL 99 Ca -0.01 -1.39 -0.10 0.00 -1.01 0.00 0.00 66.70 64.19 1icr h VAL 99 Cb 0.25 1.52 -0.01 0.00 -2.01 0.00 0.00 31.29 31.03 1icr h VAL 99 CO 0.01 0.43 -0.36 0.44 -1.01 0.00 0.00 177.57 177.08 1icr h ASP 100 N 0.32 0.35 -0.29 3.17 3.45 -0.87 -0.63 116.42 121.91 1icr h ASP 100 Ca 0.04 -0.14 -0.18 0.00 0.43 0.00 0.00 57.03 57.18 1icr h ASP 100 Cb 0.74 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.42 1icr h ASP 100 CO 0.06 0.69 -0.53 -0.61 -1.57 0.00 0.00 179.24 177.28 1icr h GLN 101 N 0.29 0.88 -0.62 3.56 5.75 -0.97 0.49 115.11 124.50 1icr h GLN 101 Ca 0.03 -0.55 -0.04 0.00 -0.15 0.00 0.00 58.65 57.94 1icr h GLN 101 Cb 0.77 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.35 1icr h GLN 101 CO 0.06 1.19 0.21 0.93 -2.65 0.00 0.00 178.83 178.57 1icr h GLU 102 N 0.68 0.94 -0.30 1.69 5.08 -0.98 -0.49 114.58 121.19 1icr h GLU 102 Ca 0.02 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1icr h GLU 102 Cb 1.14 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1icr h GLU 102 CO 0.12 0.79 -0.07 0.22 -1.00 0.00 0.00 179.01 179.07 1icr h ASP 103 N 0.91 0.59 -0.16 1.42 3.58 -0.91 -1.84 116.42 120.01 1icr h ASP 103 Ca 0.21 -0.36 -0.01 0.00 0.42 0.00 0.00 57.03 57.29 1icr h ASP 103 Cb 0.24 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 1icr h ASP 103 CO -0.01 0.81 0.09 0.00 -2.88 0.00 0.00 179.24 177.25 1icr h ALA 104 N 0.79 1.81 -0.00 -0.78 0.00 -0.45 -0.13 119.26 120.49 1icr h ALA 104 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1icr h ALA 104 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1icr h ALA 104 CO 0.03 0.16 -0.02 -0.25 0.00 0.00 0.00 179.25 179.17 1icr n ASP 105 N -4.47 0.44 -0.03 0.00 8.00 -0.23 -4.93 116.55 115.33 1icr n ASP 105 Ca -0.00 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1icr n ASP 105 Cb 0.11 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1icr n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1icr n GLY 106 N 1.11 0.41 0.08 0.44 0.00 -0.06 -4.97 105.19 102.21 1icr n GLY 106 Ca 0.20 -0.87 0.14 0.00 0.00 0.00 0.00 46.02 45.49 1icr n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1icr n ARG 107 N -0.97 0.41 -4.88 1.61 1.74 -0.73 -4.80 116.66 109.05 1icr n ARG 107 Ca 0.00 -0.15 -0.33 0.00 -0.77 0.00 0.00 57.85 56.60 1icr n ARG 107 Cb 0.50 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.28 1icr n ARG 107 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1icr s PHE 108 N -2.69 2.68 -0.30 -1.55 2.99 -1.26 -5.00 117.98 112.85 1icr s PHE 108 Ca 0.22 -1.01 0.21 0.00 0.00 0.00 0.00 56.93 56.36 1icr s PHE 108 Cb 0.19 -1.80 0.13 0.00 0.00 0.00 0.00 43.02 41.55 1icr s PHE 108 CO 0.54 -0.42 1.29 0.00 -0.00 0.00 0.00 175.22 176.63 1icr h ALA 109 N 6.94 0.73 -2.49 5.36 0.00 -1.96 -3.48 119.26 124.36 1icr h ALA 109 Ca -0.26 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 1icr h ALA 109 Cb 1.21 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 1icr h ALA 109 CO 0.52 0.14 -0.38 0.95 0.00 0.00 0.00 179.25 180.48 1icr s THR 110 N -3.23 0.15 0.46 0.00 -4.23 -1.26 -5.03 115.64 102.50 1icr s THR 110 Ca 0.03 -1.21 0.20 0.00 -1.18 0.00 0.00 61.69 59.52 1icr s THR 110 Cb 0.07 -1.36 0.24 0.00 1.34 0.00 0.00 72.50 72.80 1icr s THR 110 CO 0.74 -0.66 2.06 1.55 -0.54 0.00 0.00 174.62 177.77 1icr h PRO 111 N 2.77 0.00 -0.26 3.99 0.13 -2.00 -1.72 132.00 134.91 1icr h PRO 111 Ca -0.34 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.65 1icr h PRO 111 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1icr h PRO 111 CO 0.57 0.13 -0.41 1.05 -0.23 0.00 0.00 178.00 179.11 1icr h GLU 112 N 0.00 0.62 -0.75 0.86 9.09 -1.98 -0.88 114.58 121.52 1icr h GLU 112 Ca -0.00 -0.32 -0.06 0.00 0.05 0.00 0.00 59.36 59.04 1icr h GLU 112 Cb 0.25 0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 27.33 1icr h GLU 112 CO 0.02 0.91 0.25 0.00 0.05 0.00 0.00 179.01 180.24 1icr h ALA 113 N 1.05 0.98 -0.27 1.06 0.00 -1.73 -0.06 119.26 120.29 1icr h ALA 113 Ca 0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1icr h ALA 113 Cb 0.92 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1icr h ALA 113 CO 0.08 0.65 0.01 -0.22 0.00 0.00 0.00 179.25 179.78 1icr h LYS 114 N 1.11 0.47 -0.69 0.00 3.64 -1.21 -1.98 116.57 117.91 1icr h LYS 114 Ca 0.24 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1icr h LYS 114 Cb 0.28 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1icr h LYS 114 CO -0.01 0.62 0.37 0.00 -2.27 0.00 0.00 179.45 178.16 1icr h ALA 115 N 0.83 1.35 -0.45 5.00 0.00 -0.87 -0.58 119.26 124.54 1icr h ALA 115 Ca 0.08 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1icr h ALA 115 Cb 0.40 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1icr h ALA 115 CO 0.01 0.53 -0.18 0.00 0.00 0.00 0.00 179.25 179.61 1icr h ALA 116 N 1.44 0.83 -0.37 0.00 0.00 -0.86 -0.52 119.26 119.79 1icr h ALA 116 Ca 0.24 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1icr h ALA 116 Cb 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1icr h ALA 116 CO -0.04 0.65 -0.06 -0.97 0.00 0.00 0.00 179.25 178.83 1icr h ASN 117 N 0.78 0.69 -0.61 0.00 -0.73 -0.75 -1.62 115.58 113.33 1icr h ASN 117 Ca 0.11 -0.35 -0.08 0.00 1.87 0.00 0.00 56.30 57.86 1icr h ASN 117 Cb 0.71 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.09 1icr h ASN 117 CO 0.05 0.88 0.07 -0.78 -0.37 0.00 0.00 177.43 177.28 1icr h ASP 118 N 0.49 0.99 -0.68 1.15 1.82 -1.01 -1.94 116.42 117.24 1icr h ASP 118 Ca 0.10 -0.27 -0.04 0.00 -0.39 0.00 0.00 57.03 56.43 1icr h ASP 118 Cb 0.56 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 40.28 1icr h ASP 118 CO 0.03 1.01 0.28 0.50 -1.61 0.00 0.00 179.24 179.45 1icr h LYS 119 N 0.93 1.02 -0.43 0.28 3.64 -0.98 -1.07 116.57 119.96 1icr h LYS 119 Ca 0.18 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1icr h LYS 119 Cb 0.46 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1icr h LYS 119 CO 0.02 0.84 -0.05 0.78 -2.27 0.00 0.00 179.45 178.77 1icr h GLY 120 N 0.97 0.85 0.99 5.01 0.00 -1.14 -0.87 103.07 108.88 1icr h GLY 120 Ca 0.23 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 1icr h GLY 120 CO -0.02 0.61 0.18 -0.09 0.00 0.00 0.00 176.54 177.22 1icr h ARG 121 N 0.62 0.86 -0.46 4.80 2.43 -1.18 -2.63 114.38 118.82 1icr h ARG 121 Ca 0.12 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1icr h ARG 121 Cb 0.56 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1icr h ARG 121 CO 0.03 0.78 0.03 -0.22 -1.51 0.00 0.00 179.97 179.08 1icr h LYS 122 N 0.77 0.74 -0.36 0.20 1.63 -1.10 -1.46 116.57 116.99 1icr h LYS 122 Ca 0.18 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1icr h LYS 122 Cb 0.28 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 1icr h LYS 122 CO -0.01 0.73 0.23 0.35 -3.45 0.00 0.00 179.45 177.30 1icr h PHE 123 N 0.70 0.46 -0.02 1.91 3.04 -0.81 -0.17 116.94 122.05 1icr h PHE 123 Ca 0.14 0.00 -0.19 0.00 3.98 0.00 0.00 57.97 61.91 1icr h PHE 123 Cb 0.39 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.73 1icr h PHE 123 CO 0.02 0.32 -0.81 0.74 -2.02 0.00 0.00 178.31 176.55 1icr h PHE 124 N 0.48 0.32 -0.64 0.41 -1.00 -1.32 -1.60 116.94 113.59 1icr h PHE 124 Ca 0.13 -0.16 -0.05 0.00 2.81 0.00 0.00 57.97 60.70 1icr h PHE 124 Cb -0.02 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.47 1icr h PHE 124 CO -0.04 0.94 0.21 0.00 -1.61 0.00 0.00 178.31 177.81 1icr h ALA 125 N 1.01 0.84 -0.52 2.45 0.00 -1.07 -1.85 119.26 120.12 1icr h ALA 125 Ca -0.04 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1icr h ALA 125 Cb 1.41 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1icr h ALA 125 CO 0.13 0.50 -0.14 -0.44 0.00 0.00 0.00 179.25 179.30 1icr h ASP 126 N 0.92 1.01 -0.38 0.00 3.32 -0.95 -2.00 116.42 118.34 1icr h ASP 126 Ca 0.21 -0.35 0.02 0.00 0.02 0.00 0.00 57.03 56.93 1icr h ASP 126 Cb 0.28 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1icr h ASP 126 CO -0.01 1.14 0.20 -0.03 -1.72 0.00 0.00 179.24 178.83 1icr h MET 127 N 0.88 0.40 -0.50 3.56 4.05 -0.97 0.38 114.93 122.74 1icr h MET 127 Ca 0.13 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.43 1icr h MET 127 Cb 0.71 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.40 1icr h MET 127 CO 0.05 0.27 -0.08 0.45 0.23 0.00 0.00 176.91 177.83 1icr h HIS 128 N 0.42 1.00 0.00 1.39 3.86 -1.26 0.83 115.15 121.39 1icr h HIS 128 Ca 0.16 -0.18 -0.05 0.00 -1.16 0.00 0.00 60.37 59.13 1icr h HIS 128 Cb 0.04 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.26 1icr h HIS 128 CO -0.09 0.94 -0.20 -0.09 0.86 0.00 0.00 177.93 179.35 1icr h ARG 129 N 0.82 0.12 0.00 2.45 2.43 -0.98 0.04 114.38 119.27 1icr h ARG 129 Ca 0.14 -0.14 -0.27 0.00 -0.81 0.00 0.00 59.98 58.90 1icr h ARG 129 Cb 0.60 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 1icr h ARG 129 CO 0.04 0.91 -1.70 1.63 -1.51 0.00 0.00 179.97 179.34 1icr n LYS 130 N -4.54 0.63 -0.06 0.20 5.02 0.13 -4.08 118.16 115.46 1icr n LYS 130 Ca -0.10 0.26 -0.09 0.00 -2.02 0.00 0.00 58.31 56.36 1icr n LYS 130 Cb 0.49 -1.78 -0.05 0.00 -0.02 0.00 0.00 35.03 33.67 1icr n LYS 130 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1icr n ASP 131 N -2.99 2.68 0.11 4.39 8.00 -0.45 -4.66 116.55 123.64 1icr n ASP 131 Ca -0.16 -0.02 0.12 0.00 0.71 0.00 0.00 54.79 55.43 1icr n ASP 131 Cb 1.01 -0.21 0.10 0.00 -0.02 0.00 0.00 41.12 42.00 1icr n ASP 131 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1icr h LEU 132 N -0.08 0.00 -1.10 0.64 3.38 -0.99 -3.48 115.31 113.68 1icr h LEU 132 Ca -0.26 -0.07 -0.49 0.00 0.09 0.00 0.00 57.88 57.15 1icr h LEU 132 Cb 1.37 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.05 1icr h LEU 132 CO -0.07 0.04 -0.78 1.41 0.09 0.00 0.00 178.44 179.12 1icr n HIS 133 N -2.54 -2.14 -2.23 1.13 8.25 -0.16 -4.87 115.22 112.66 1icr n HIS 133 Ca 0.02 0.87 0.04 0.00 -0.26 0.00 0.00 57.72 58.39 1icr n HIS 133 Cb 0.51 -3.79 0.05 0.00 1.12 0.00 0.00 29.99 27.87 1icr n HIS 133 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1icr n ASP 134 N -2.82 0.96 -0.28 0.41 3.85 -0.28 -4.90 116.55 113.49 1icr n ASP 134 Ca 0.01 -2.29 0.03 0.00 -0.71 0.00 0.00 54.79 51.82 1icr n ASP 134 Cb 0.54 -0.32 0.24 0.00 -1.35 0.00 0.00 41.12 40.23 1icr n ASP 134 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 1icr h ASP 135 N 0.77 0.90 -0.41 -1.12 2.03 -1.86 0.29 116.42 117.03 1icr h ASP 135 Ca -0.15 -0.01 -0.02 0.00 -0.73 0.00 0.00 57.03 56.12 1icr h ASP 135 Cb 1.65 -0.20 -0.02 0.00 -0.83 0.00 0.00 39.33 39.93 1icr h ASP 135 CO 0.06 0.61 0.16 0.00 -1.03 0.00 0.00 179.24 179.05 1icr h ALA 136 N 1.51 0.53 -0.47 4.15 0.00 -1.90 -1.43 119.26 121.64 1icr h ALA 136 Ca 0.35 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1icr h ALA 136 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1icr h ALA 136 CO -0.11 0.13 -0.14 1.49 0.00 0.00 0.00 179.25 180.62 1icr h GLU 137 N 0.51 0.89 -0.50 0.00 4.81 -1.76 -1.56 114.58 116.98 1icr h GLU 137 Ca 0.14 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1icr h GLU 137 Cb 0.19 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1icr h GLU 137 CO -0.01 0.97 0.32 2.35 -0.73 0.00 0.00 179.01 181.91 1icr h TRP 138 N 0.79 0.65 -0.31 0.92 7.01 -0.19 0.58 115.95 125.40 1icr h TRP 138 Ca 0.12 0.01 -0.15 0.00 2.11 0.00 0.00 58.89 60.98 1icr h TRP 138 Cb 0.67 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.51 1icr h TRP 138 CO 0.04 0.43 -0.40 0.52 -2.79 0.00 0.00 178.44 176.24 1icr h MET 139 N 0.67 0.75 -0.34 2.65 2.86 -1.17 -2.75 114.93 117.61 1icr h MET 139 Ca 0.18 -0.39 -0.04 0.00 -2.06 0.00 0.00 59.70 57.39 1icr h MET 139 Cb -0.04 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1icr h MET 139 CO -0.04 1.01 0.05 0.00 1.06 0.00 0.00 176.91 178.99 1icr h ALA 140 N 0.93 1.45 -0.75 6.32 0.00 -0.86 -1.91 119.26 124.45 1icr h ALA 140 Ca 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1icr h ALA 140 Cb 0.95 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1icr h ALA 140 CO 0.09 0.40 0.29 0.87 0.00 0.00 0.00 179.25 180.90 1icr h LYS 141 N 0.49 1.12 -0.36 0.00 1.57 -0.61 -1.17 116.57 117.61 1icr h LYS 141 Ca 0.11 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1icr h LYS 141 Cb 0.25 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1icr h LYS 141 CO 0.00 0.91 -0.10 1.96 -0.57 0.00 0.00 179.45 181.66 1icr h GLN 142 N 1.09 0.62 -0.44 3.15 1.08 -1.15 -1.68 115.11 117.78 1icr h GLN 142 Ca 0.25 -0.18 -0.07 0.00 -1.45 0.00 0.00 58.65 57.20 1icr h GLN 142 Cb 0.21 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1icr h GLN 142 CO -0.02 0.71 0.00 0.28 -0.95 0.00 0.00 178.83 178.86 1icr h VAL 143 N 0.58 1.26 -0.30 -0.54 2.07 -0.87 -1.48 116.25 116.96 1icr h VAL 143 Ca 0.11 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 1icr h VAL 143 Cb 0.51 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1icr h VAL 143 CO 0.03 0.36 0.03 1.88 0.02 0.00 0.00 177.57 179.88 1icr h TYR 144 N 0.63 0.46 -0.53 1.57 -1.99 -0.93 -0.36 116.97 115.82 1icr h TYR 144 Ca 0.13 -0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.77 1icr h TYR 144 Cb 0.49 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.06 1icr h TYR 144 CO 0.04 0.44 0.12 1.25 -0.00 0.00 0.00 178.16 180.01 1icr h LEU 145 N 0.44 0.81 -0.53 3.88 6.46 -0.92 -1.06 115.31 124.39 1icr h LEU 145 Ca 0.10 -0.24 0.03 0.00 -0.12 0.00 0.00 57.88 57.66 1icr h LEU 145 Cb 0.25 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 39.93 1icr h LEU 145 CO 0.00 0.84 0.31 -1.13 -0.62 0.00 0.00 178.44 177.84 1icr h ASN 146 N 0.75 0.49 -0.71 1.25 -0.00 -0.27 -1.43 115.58 115.65 1icr h ASN 146 Ca 0.17 0.01 0.04 0.00 -0.00 0.00 0.00 56.30 56.52 1icr h ASN 146 Cb 0.35 -0.09 -0.05 0.00 -0.00 0.00 0.00 38.32 38.53 1icr h ASN 146 CO 0.00 0.34 0.44 0.58 -0.00 0.00 0.00 177.43 178.79 1icr h VAL 147 N 0.61 1.06 -0.64 2.57 2.07 -0.63 0.11 116.25 121.39 1icr h VAL 147 Ca 0.22 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1icr h VAL 147 Cb 0.06 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 1icr h VAL 147 CO -0.11 0.15 0.36 1.23 0.02 0.00 0.00 177.57 179.22 1icr h GLY 148 N 0.83 0.94 0.98 2.17 0.00 -0.42 -0.00 103.07 107.58 1icr h GLY 148 Ca 0.30 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1icr h GLY 148 CO -0.13 0.40 0.22 -0.57 0.00 0.00 0.00 176.54 176.46 1icr h ASN 149 N 0.87 0.45 -0.31 0.19 -0.73 -0.66 -3.01 115.58 112.38 1icr h ASN 149 Ca 0.23 -0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.34 1icr h ASN 149 Cb 0.02 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 1icr h ASN 149 CO -0.04 0.38 0.19 0.15 -0.37 0.00 0.00 177.43 177.74 1icr h PHE 150 N 0.48 0.39 -0.85 0.67 3.04 -0.24 -0.77 116.94 119.67 1icr h PHE 150 Ca 0.13 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.09 1icr h PHE 150 Cb 0.01 -0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.35 1icr h PHE 150 CO -0.03 0.27 0.56 -0.07 -2.02 0.00 0.00 178.31 177.02 1icr h LEU 151 N 0.40 0.97 -0.29 0.59 3.38 -0.97 -0.00 115.31 119.39 1icr h LEU 151 Ca 0.11 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.86 1icr h LEU 151 Cb -0.01 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1icr h LEU 151 CO -0.02 0.70 -0.64 0.25 0.09 0.00 0.00 178.44 178.82 1icr h LEU 152 N 1.15 0.88 -0.03 1.67 5.85 -1.41 -2.55 115.31 120.88 1icr h LEU 152 Ca 0.31 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1icr h LEU 152 Cb -0.13 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.64 1icr h LEU 152 CO -0.07 1.30 0.02 1.23 -0.34 0.00 0.00 178.44 180.58 1icr h GLY 153 N 0.74 0.04 1.77 3.75 0.00 -0.66 -0.69 103.07 108.02 1icr h GLY 153 Ca -0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1icr h GLY 153 CO 0.13 0.01 -0.25 -0.39 0.00 0.00 0.00 176.54 176.05 1icr h VAL 154 N 0.01 1.24 -0.69 4.60 -1.51 -1.06 -1.95 116.25 116.89 1icr h VAL 154 Ca 0.01 -1.14 -0.07 0.00 -1.23 0.00 0.00 66.70 64.28 1icr h VAL 154 Cb 0.02 1.41 -0.03 0.00 -2.13 0.00 0.00 31.29 30.56 1icr h VAL 154 CO -0.00 0.35 0.16 0.00 -1.23 0.00 0.00 177.57 176.85 1icr h ALA 155 N 1.50 0.97 0.00 5.19 0.00 -1.13 -0.93 119.26 124.86 1icr h ALA 155 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1icr h ALA 155 Cb 0.58 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1icr h ALA 155 CO 0.04 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.95 1icr h ALA 156 N 1.12 1.00 -0.01 0.00 0.00 -0.41 -0.87 119.26 120.08 1icr h ALA 156 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1icr h ALA 156 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1icr h ALA 156 CO 0.00 0.00 -0.13 1.28 0.00 0.00 0.00 179.25 180.41 1icr n LEU 157 N -2.84 0.89 0.00 0.00 4.77 -0.71 -4.91 117.00 114.20 1icr n LEU 157 Ca 0.01 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1icr n LEU 157 Cb 0.26 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1icr n LEU 157 CO 0.24 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1icr n GLY 158 N 1.25 0.56 3.69 -0.72 0.00 -0.33 -5.06 105.19 104.58 1icr n GLY 158 Ca 0.15 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1icr n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1icr s LEU 159 N 0.00 3.53 0.43 0.99 1.43 -0.43 -5.02 118.68 119.61 1icr s LEU 159 Ca 0.00 -0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.00 1icr s LEU 159 Cb 0.00 -2.08 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 1icr s LEU 159 CO 0.00 0.26 0.75 -1.81 0.23 0.00 0.00 176.35 175.78 1icr s ASP 160 N -1.74 6.38 0.18 2.29 -0.00 0.10 -3.83 116.67 120.05 1icr s ASP 160 Ca 0.21 0.98 -0.24 0.00 -0.00 0.00 0.00 52.55 53.50 1icr s ASP 160 Cb -0.12 -2.26 0.07 0.00 -0.00 0.00 0.00 42.92 40.61 1icr s ASP 160 CO 0.12 -0.47 0.97 0.00 -0.00 0.00 0.00 175.17 175.79 1icr s ALA 161 N -2.53 -1.59 -0.26 5.23 0.00 -1.26 -0.86 121.76 120.49 1icr s ALA 161 Ca 0.48 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.28 1icr s ALA 161 Cb -0.10 0.67 0.10 0.00 0.00 0.00 0.00 23.12 23.78 1icr s ALA 161 CO 0.38 -1.05 0.60 0.54 0.00 0.00 0.00 175.76 176.24 1icr s VAL 162 N -2.97 -0.43 0.24 0.00 0.11 -1.07 -1.49 120.40 114.81 1icr s VAL 162 Ca 0.15 0.04 -0.30 0.00 -2.93 0.00 0.00 61.98 58.93 1icr s VAL 162 Cb -0.02 -0.90 -0.09 0.00 -1.53 0.00 0.00 36.38 33.84 1icr s VAL 162 CO 0.04 0.01 0.94 -2.16 -3.33 0.00 0.00 175.10 170.61 1icr s PRO 163 N 2.16 4.85 -0.11 1.54 0.04 -1.26 -3.29 135.00 138.93 1icr s PRO 163 Ca -0.07 1.49 -0.00 0.00 0.04 0.00 0.00 61.00 62.46 1icr s PRO 163 Cb -0.09 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.21 1icr s PRO 163 CO -0.18 0.50 -0.08 0.42 0.04 0.00 0.00 177.00 177.70 1icr s ILE 164 N -1.19 1.05 -0.43 0.56 -1.09 0.80 -4.93 121.20 115.96 1icr s ILE 164 Ca 0.41 -0.32 0.13 0.00 -2.23 0.00 0.00 60.65 58.65 1icr s ILE 164 Cb -0.26 -1.05 -0.17 0.00 -1.58 0.00 0.00 42.46 39.40 1icr s ILE 164 CO 0.32 0.37 0.48 -0.62 -1.23 0.00 0.00 174.94 174.26 1icr n GLU 165 N 4.77 1.90 -1.82 2.79 1.02 -1.26 -1.43 120.64 126.61 1icr n GLU 165 Ca -0.14 -0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.54 1icr n GLU 165 Cb 0.50 -1.19 -0.00 0.00 -0.02 0.00 0.00 31.44 30.73 1icr n GLU 165 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1icr n GLY 166 N 1.44 4.00 3.46 0.62 0.00 -1.26 -4.83 105.19 108.62 1icr n GLY 166 Ca 0.01 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 1icr n GLY 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1icr s PHE 167 N 3.55 -0.35 -0.56 1.61 -0.71 -1.26 -4.86 117.98 115.40 1icr s PHE 167 Ca 0.49 0.07 -0.20 0.00 -1.04 0.00 0.00 56.93 56.25 1icr s PHE 167 Cb 0.12 0.48 0.08 0.00 -1.21 0.00 0.00 43.02 42.48 1icr s PHE 167 CO -0.05 -0.87 0.72 0.34 -1.34 0.00 0.00 175.22 174.02 1icr s ASP 168 N -2.80 6.21 0.50 1.98 -1.08 0.11 -4.92 116.67 116.67 1icr s ASP 168 Ca 0.04 -1.07 0.19 0.00 -0.52 0.00 0.00 52.55 51.19 1icr s ASP 168 Cb -0.01 -2.32 1.27 0.00 -1.46 0.00 0.00 42.92 40.40 1icr s ASP 168 CO -0.09 -1.06 2.08 0.00 0.52 0.00 0.00 175.17 176.62 1icr h ALA 169 N 9.15 1.65 -0.46 3.66 0.00 -1.88 -1.53 119.26 129.85 1icr h ALA 169 Ca -0.28 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 1icr h ALA 169 Cb 1.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1icr h ALA 169 CO 1.05 0.13 0.01 0.00 0.00 0.00 0.00 179.25 180.44 1icr h ALA 170 N 1.89 0.62 -0.12 0.00 0.00 -1.94 0.13 119.26 119.84 1icr h ALA 170 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1icr h ALA 170 Cb 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1icr h ALA 170 CO 0.01 0.41 -0.06 0.82 0.00 0.00 0.00 179.25 180.44 1icr h ILE 171 N 0.66 1.32 -0.72 0.00 2.04 -1.79 -2.15 117.51 116.87 1icr h ILE 171 Ca 0.13 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1icr h ILE 171 Cb 0.49 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1icr h ILE 171 CO 0.02 0.31 0.42 0.25 0.00 0.00 0.00 178.15 179.15 1icr h LEU 172 N -0.08 0.87 -0.43 1.44 5.85 -1.21 -0.38 115.31 121.38 1icr h LEU 172 Ca 0.03 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1icr h LEU 172 Cb 0.52 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1icr h LEU 172 CO 0.02 0.69 0.27 0.44 -0.34 0.00 0.00 178.44 179.52 1icr h ASP 173 N 0.98 0.50 -0.69 1.25 3.45 -0.72 -2.68 116.42 118.51 1icr h ASP 173 Ca 0.26 -0.03 -0.06 0.00 0.43 0.00 0.00 57.03 57.63 1icr h ASP 173 Cb -0.01 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.61 1icr h ASP 173 CO -0.05 0.38 0.19 0.00 -1.57 0.00 0.00 179.24 178.19 1icr h ALA 174 N 1.14 0.90 -0.61 3.45 0.00 -1.00 0.53 119.26 123.67 1icr h ALA 174 Ca 0.16 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1icr h ALA 174 Cb -0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1icr h ALA 174 CO -0.03 0.61 0.41 1.49 0.00 0.00 0.00 179.25 181.72 1icr h GLU 175 N 1.02 0.61 -0.30 0.00 4.57 -0.77 -2.40 114.58 117.30 1icr h GLU 175 Ca 0.22 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1icr h GLU 175 Cb 0.34 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1icr h GLU 175 CO -0.00 0.40 0.00 1.19 -1.18 0.00 0.00 179.01 179.42 1icr n PHE 176 N -4.47 0.62 -3.79 0.92 3.72 -1.04 -4.98 117.46 108.43 1icr n PHE 176 Ca 0.08 -0.64 -0.29 0.00 -0.05 0.00 0.00 57.45 56.55 1icr n PHE 176 Cb 0.21 -0.13 0.01 0.00 -0.94 0.00 0.00 39.48 38.63 1icr n PHE 176 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1icr n GLY 177 N 0.11 -0.48 0.28 1.37 0.00 -0.01 -4.89 105.19 101.57 1icr n GLY 177 Ca 0.15 0.15 -0.05 0.00 0.00 0.00 0.00 46.02 46.26 1icr n GLY 177 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1icr h LEU 178 N -1.60 0.78 -0.21 0.99 3.38 -1.31 -3.17 115.31 114.17 1icr h LEU 178 Ca -0.54 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.26 1icr h LEU 178 Cb 1.35 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 1icr h LEU 178 CO 0.66 0.88 -0.04 0.50 0.09 0.00 0.00 178.44 180.52 1icr h LYS 179 N 0.74 0.01 0.00 1.13 3.64 -1.75 -0.19 116.57 120.15 1icr h LYS 179 Ca 0.13 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1icr h LYS 179 Cb 0.52 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1icr h LYS 179 CO 0.03 0.01 -0.19 0.93 -2.27 0.00 0.00 179.45 177.96 1icr h GLU 180 N 0.01 0.00 0.00 1.90 3.07 -1.89 -1.89 114.58 115.78 1icr h GLU 180 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1icr h GLU 180 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1icr h GLU 180 CO -0.21 0.19 -0.17 1.63 -1.40 0.00 0.00 179.01 179.05 1icr n LYS 181 N -3.71 0.05 -0.96 2.33 5.02 -0.61 -4.94 118.16 115.35 1icr n LYS 181 Ca -0.01 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1icr n LYS 181 Cb 0.30 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1icr n LYS 181 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1icr n GLY 182 N 1.47 1.20 3.19 0.72 0.00 -0.38 -5.05 105.19 106.34 1icr n GLY 182 Ca 0.06 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 1icr n GLY 182 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1icr s TYR 183 N -2.09 0.80 -0.13 1.61 1.51 -0.22 -1.88 117.35 116.95 1icr s TYR 183 Ca 0.00 -1.16 -0.10 0.00 -1.01 0.00 0.00 57.07 54.80 1icr s TYR 183 Cb 0.00 -0.41 0.04 0.00 -0.11 0.00 0.00 41.96 41.48 1icr s TYR 183 CO 0.00 -0.57 0.33 -0.08 -1.11 0.00 0.00 175.55 174.13 1icr s THR 184 N -4.04 -0.01 0.28 -0.71 -1.32 -0.61 -3.28 115.64 105.95 1icr s THR 184 Ca 0.24 0.04 -0.29 0.00 -1.21 0.00 0.00 61.69 60.47 1icr s THR 184 Cb 0.07 -0.48 -0.10 0.00 -1.51 0.00 0.00 72.50 70.48 1icr s THR 184 CO 0.02 0.02 1.12 -0.94 -2.21 0.00 0.00 174.62 172.63 1icr s SER 185 N 0.60 7.22 0.00 8.08 1.04 -1.26 -1.32 113.70 128.06 1icr s SER 185 Ca -0.03 2.30 0.00 0.00 0.48 0.00 0.00 55.95 58.70 1icr s SER 185 Cb -0.05 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1icr s SER 185 CO -0.04 -0.18 0.00 0.18 0.98 0.00 0.00 173.24 174.18 1icr n LEU 186 N 1.20 0.78 -3.87 2.42 4.77 0.07 -4.84 117.00 117.52 1icr n LEU 186 Ca -0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 1icr n LEU 186 Cb 0.44 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 1icr n LEU 186 CO 0.54 0.12 -0.36 -0.69 -1.33 0.00 0.00 177.39 175.68 1icr s VAL 187 N -1.99 0.01 -0.13 4.08 1.01 -1.19 -4.77 120.40 117.42 1icr s VAL 187 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1icr s VAL 187 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 36.38 36.34 1icr s VAL 187 CO 0.00 0.00 -0.09 -0.69 0.00 0.00 0.00 175.10 174.32 1icr s VAL 188 N -0.01 3.41 -0.32 2.92 1.01 -0.51 -0.76 120.40 126.13 1icr s VAL 188 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1icr s VAL 188 Cb -0.00 -2.45 0.10 0.00 0.00 0.00 0.00 36.38 34.03 1icr s VAL 188 CO -0.00 0.52 0.08 -0.69 0.00 0.00 0.00 175.10 175.01 1icr s VAL 189 N 0.19 1.38 0.29 2.92 1.01 0.52 -0.14 120.40 126.56 1icr s VAL 189 Ca -0.05 -1.72 -0.29 0.00 0.00 0.00 0.00 61.98 59.92 1icr s VAL 189 Cb -0.15 -2.02 -0.10 0.00 0.00 0.00 0.00 36.38 34.12 1icr s VAL 189 CO 0.04 -0.63 1.10 -2.84 0.00 0.00 0.00 175.10 172.76 1icr s PRO 190 N 1.36 4.60 -0.01 2.72 0.02 -1.21 -1.47 135.00 141.02 1icr s PRO 190 Ca 0.10 1.79 0.03 0.00 0.02 0.00 0.00 61.00 62.94 1icr s PRO 190 Cb -0.18 -3.14 -0.01 0.00 0.02 0.00 0.00 34.50 31.19 1icr s PRO 190 CO -0.19 0.18 -0.12 0.08 -0.33 0.00 0.00 177.00 176.63 1icr s VAL 191 N -1.20 0.93 0.00 3.83 1.01 0.22 -2.59 120.40 122.60 1icr s VAL 191 Ca 0.45 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1icr s VAL 191 Cb -0.31 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1icr s VAL 191 CO 0.40 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1icr n GLY 192 N 2.91 -0.54 2.92 4.51 0.00 -0.04 -1.77 105.19 113.18 1icr n GLY 192 Ca -0.15 0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 1icr n GLY 192 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1icr s HIS 193 N 0.00 0.73 0.81 1.61 3.76 -1.26 0.02 115.29 120.96 1icr s HIS 193 Ca 0.00 -0.19 -0.11 0.00 -0.15 0.00 0.00 55.06 54.61 1icr s HIS 193 Cb 0.00 -0.61 0.08 0.00 1.11 0.00 0.00 32.58 33.16 1icr s HIS 193 CO 0.00 -0.15 1.09 -3.38 -0.85 0.00 0.00 174.74 171.45 1icr s HIS 194 N 0.64 2.53 0.51 1.40 -3.43 -1.26 -0.18 115.29 115.49 1icr s HIS 194 Ca -0.09 1.42 0.05 0.00 -0.80 0.00 0.00 55.06 55.64 1icr s HIS 194 Cb -0.12 -3.08 0.01 0.00 -1.43 0.00 0.00 32.58 27.96 1icr s HIS 194 CO 0.00 -1.98 0.26 -1.54 -2.00 0.00 0.00 174.74 169.49 1icr s SER 195 N -3.46 4.48 0.33 7.38 1.04 -0.60 -4.21 113.70 118.67 1icr s SER 195 Ca 0.62 -1.30 0.25 0.00 0.48 0.00 0.00 55.95 55.99 1icr s SER 195 Cb -0.17 0.26 1.18 0.00 0.10 0.00 0.00 66.02 67.39 1icr s SER 195 CO 0.56 -0.93 1.76 -0.37 0.98 0.00 0.00 173.24 175.24 1icr h VAL 196 N 1.02 0.00 0.00 5.02 -1.51 -1.95 -1.68 116.25 117.16 1icr h VAL 196 Ca -0.40 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1icr h VAL 196 Cb 1.30 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 1icr h VAL 196 CO 0.64 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 176.36 1icr n GLU 197 N -2.37 0.17 -2.51 5.19 -0.58 -1.26 -4.62 120.64 114.67 1icr n GLU 197 Ca 0.00 0.03 -0.40 0.00 -0.42 0.00 0.00 57.16 56.38 1icr n GLU 197 Cb 0.15 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.49 1icr n GLU 197 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1icr s ASP 198 N -2.81 6.38 0.61 1.62 2.15 -0.63 -4.63 116.67 119.35 1icr s ASP 198 Ca 0.19 -1.45 0.38 0.00 0.43 0.00 0.00 52.55 52.09 1icr s ASP 198 Cb 0.18 -2.57 1.99 0.00 -0.30 0.00 0.00 42.92 42.22 1icr s ASP 198 CO 0.46 -1.62 2.23 2.19 -0.17 0.00 0.00 175.17 178.26 1icr h PHE 199 N 9.77 0.00 -0.00 -5.34 -5.15 -1.88 -2.37 116.94 111.97 1icr h PHE 199 Ca 0.21 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.98 1icr h PHE 199 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.17 1icr h PHE 199 CO 1.29 0.02 -0.15 -1.71 -2.00 0.00 0.00 178.31 175.75 1icr n ASN 200 N -3.25 0.24 0.24 -0.68 5.15 -1.26 -3.81 115.26 111.88 1icr n ASN 200 Ca -0.02 0.02 0.11 0.00 -0.60 0.00 0.00 54.58 54.09 1icr n ASN 200 Cb 0.15 -0.19 0.53 0.00 -0.53 0.00 0.00 39.78 39.73 1icr n ASN 200 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1icr h ALA 201 N 3.17 1.05 -0.01 5.20 0.00 -1.74 -3.23 119.26 123.70 1icr h ALA 201 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1icr h ALA 201 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1icr h ALA 201 CO 0.00 0.22 -0.19 0.25 0.00 0.00 0.00 179.25 179.54 1icr n THR 202 N -3.37 0.00 -2.69 0.00 -2.24 -1.25 -5.01 114.28 99.71 1icr n THR 202 Ca -0.00 -0.41 -0.33 0.00 -2.27 0.00 0.00 64.05 61.04 1icr n THR 202 Cb 0.39 1.11 -0.06 0.00 -2.10 0.00 0.00 70.33 69.66 1icr n THR 202 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1icr s LEU 203 N -1.54 3.85 0.50 3.22 1.43 -1.22 -5.03 118.68 119.88 1icr s LEU 203 Ca 0.07 1.66 -0.21 0.00 -1.03 0.00 0.00 54.13 54.63 1icr s LEU 203 Cb 0.07 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.69 1icr s LEU 203 CO 0.22 -0.43 1.10 -2.16 0.23 0.00 0.00 176.35 175.31 1icr s PRO 204 N -3.44 3.63 0.46 1.29 0.04 -1.26 -5.01 135.00 130.71 1icr s PRO 204 Ca 0.61 1.56 -0.20 0.00 0.04 0.00 0.00 61.00 63.01 1icr s PRO 204 Cb -0.09 -2.16 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 1icr s PRO 204 CO 0.18 -0.61 0.98 0.21 0.04 0.00 0.00 177.00 177.80 1icr s LYS 205 N -3.08 4.08 -0.04 4.56 2.20 -1.26 -5.06 119.74 121.14 1icr s LYS 205 Ca 0.68 1.16 0.01 0.00 -0.36 0.00 0.00 55.97 57.46 1icr s LYS 205 Cb -0.22 -2.15 0.02 0.00 -1.51 0.00 0.00 37.83 33.96 1icr s LYS 205 CO 0.26 -0.17 -0.04 0.45 -0.36 0.00 0.00 175.35 175.50 1icr s SER 206 N -2.23 0.83 0.02 1.43 0.15 -1.26 -5.14 113.70 107.49 1icr s SER 206 Ca 0.63 -0.11 -0.07 0.00 0.70 0.00 0.00 55.95 57.09 1icr s SER 206 Cb -0.11 -0.38 -0.00 0.00 -1.71 0.00 0.00 66.02 63.82 1icr s SER 206 CO 0.17 -0.04 0.14 -0.13 1.20 0.00 0.00 173.24 174.58 1icr s ARG 207 N 0.79 0.54 0.63 5.44 1.81 -1.26 -5.15 118.95 121.75 1icr s ARG 207 Ca -0.10 -0.50 -0.18 0.00 -1.72 0.00 0.00 55.73 53.23 1icr s ARG 207 Cb -0.13 0.22 -0.02 0.00 -0.45 0.00 0.00 34.95 34.58 1icr s ARG 207 CO 0.00 -0.14 1.23 -0.51 -0.68 0.00 0.00 175.30 175.20 1icr s LEU 208 N -1.64 3.58 0.57 2.53 1.43 -1.26 -4.97 118.68 118.92 1icr s LEU 208 Ca -0.11 2.44 -0.19 0.00 -1.03 0.00 0.00 54.13 55.24 1icr s LEU 208 Cb -0.05 -4.60 -0.05 0.00 0.03 0.00 0.00 46.19 41.52 1icr s LEU 208 CO -0.00 -1.82 1.15 -2.84 0.23 0.00 0.00 176.35 173.06 1icr s PRO 209 N -3.46 3.20 0.54 1.29 0.02 -1.26 -4.90 135.00 130.43 1icr s PRO 209 Ca 0.78 1.64 0.29 0.00 0.02 0.00 0.00 61.00 63.73 1icr s PRO 209 Cb -0.32 -1.98 1.53 0.00 0.02 0.00 0.00 34.50 33.75 1icr s PRO 209 CO 0.37 -0.98 2.09 1.96 -0.33 0.00 0.00 177.00 180.11 1icr h GLN 210 N 0.99 0.00 0.00 5.54 4.20 -1.94 -1.69 115.11 122.20 1icr h GLN 210 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 1icr h GLN 210 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1icr h GLN 210 CO 0.56 0.10 0.00 -2.95 -0.67 0.00 0.00 178.83 175.87 1icr h ASN 211 N 0.00 0.00 0.03 1.46 7.08 -1.92 0.18 115.58 122.42 1icr h ASN 211 Ca -0.00 0.00 -0.37 0.00 -3.08 0.00 0.00 56.30 52.85 1icr h ASN 211 Cb 0.31 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.50 1icr h ASN 211 CO 0.01 0.00 -2.09 -0.38 -2.08 0.00 0.00 177.43 172.89 1icr n ILE 212 N -2.90 1.59 0.77 6.14 5.41 -0.65 -4.63 119.36 125.09 1icr n ILE 212 Ca -0.01 -0.43 0.11 0.00 1.00 0.00 0.00 62.75 63.42 1icr n ILE 212 Cb 0.14 -1.76 0.09 0.00 -0.71 0.00 0.00 39.64 37.40 1icr n ILE 212 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1icr n THR 213 N -3.83 0.11 -4.52 1.39 -2.24 -1.11 -4.94 114.28 99.14 1icr n THR 213 Ca -0.41 -0.13 -0.24 0.00 -2.27 0.00 0.00 64.05 61.00 1icr n THR 213 Cb 0.91 0.31 -0.16 0.00 -2.10 0.00 0.00 70.33 69.28 1icr n THR 213 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1icr s LEU 214 N -3.52 1.62 -0.15 3.22 0.20 0.61 -5.06 118.68 115.60 1icr s LEU 214 Ca 0.07 -0.27 -0.01 0.00 0.69 0.00 0.00 54.13 54.61 1icr s LEU 214 Cb 0.16 -0.76 -0.01 0.00 -0.43 0.00 0.00 46.19 45.14 1icr s LEU 214 CO 0.77 0.03 -0.11 -0.89 -0.29 0.00 0.00 176.35 175.86 1icr s THR 215 N 0.65 3.17 -0.16 3.68 2.01 -1.26 -4.66 115.64 119.07 1icr s THR 215 Ca -0.13 -0.61 -0.06 0.00 0.31 0.00 0.00 61.69 61.20 1icr s THR 215 Cb -0.15 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1icr s THR 215 CO 0.03 0.51 0.05 -1.61 -0.69 0.00 0.00 174.62 172.91 1icr s GLU 216 N 0.55 3.78 0.00 4.92 2.02 -1.26 -5.24 118.70 123.47 1icr s GLU 216 Ca -0.07 -0.35 0.00 0.00 0.02 0.00 0.00 54.97 54.57 1icr s GLU 216 Cb -0.15 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 30.95 1icr s GLU 216 CO 0.03 0.36 0.06 1.33 0.02 0.00 0.00 175.26 177.07