#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ito s PRO 2 N 0.00 2.58 0.46 3.23 0.04 -1.26 -4.95 135.00 135.10 1ito s PRO 2 Ca 0.00 1.11 0.23 0.00 0.04 0.00 0.00 61.00 62.38 1ito s PRO 2 Cb 0.00 -1.94 1.11 0.00 0.04 0.00 0.00 34.50 33.71 1ito s PRO 2 CO 0.00 -1.39 1.93 1.49 0.04 0.00 0.00 177.00 179.07 1ito h GLU 3 N -0.84 0.00 -4.64 4.56 4.81 -2.01 -3.44 114.58 113.02 1ito h GLU 3 Ca -0.44 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.56 1ito h GLU 3 Cb 1.22 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.44 1ito h GLU 3 CO 0.54 0.22 -0.70 -1.12 -0.73 0.00 0.00 179.01 177.21 1ito s SER 4 N -6.33 1.10 -0.29 1.04 0.01 -1.26 -4.15 113.70 103.81 1ito s SER 4 Ca -0.02 -0.92 -0.14 0.00 1.31 0.00 0.00 55.95 56.18 1ito s SER 4 Cb 0.12 0.08 0.14 0.00 0.21 0.00 0.00 66.02 66.58 1ito s SER 4 CO 0.63 -0.42 0.86 0.12 0.41 0.00 0.00 173.24 174.85 1ito s PHE 5 N -3.21 -0.86 -0.20 2.43 2.19 -0.08 -4.95 117.98 113.30 1ito s PHE 5 Ca 0.08 1.58 0.01 0.00 0.33 0.00 0.00 56.93 58.93 1ito s PHE 5 Cb 0.02 0.52 0.04 0.00 -1.31 0.00 0.00 43.02 42.29 1ito s PHE 5 CO -0.04 -0.43 -0.12 0.34 1.83 0.00 0.00 175.22 176.81 1ito s ASP 6 N 2.15 3.36 0.49 6.13 -1.08 -1.26 -1.22 116.67 125.25 1ito s ASP 6 Ca -0.06 -0.86 0.18 0.00 -0.52 0.00 0.00 52.55 51.29 1ito s ASP 6 Cb -0.07 -1.27 1.23 0.00 -1.46 0.00 0.00 42.92 41.35 1ito s ASP 6 CO -0.18 -0.13 2.08 0.00 0.52 0.00 0.00 175.17 177.47 1ito h ALA 7 N 7.97 1.72 -0.51 3.66 0.00 -1.64 -1.20 119.26 129.27 1ito h ALA 7 Ca -0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1ito h ALA 7 Cb 1.10 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1ito h ALA 7 CO 0.49 0.12 0.21 0.00 0.00 0.00 0.00 179.25 180.08 1ito h ARG 8 N 0.00 0.72 0.00 0.00 3.08 -1.87 -1.91 114.38 114.40 1ito h ARG 8 Ca -0.00 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 1ito h ARG 8 Cb 0.19 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1ito h ARG 8 CO 0.01 0.58 -1.53 0.39 -1.07 0.00 0.00 179.97 178.36 1ito n GLU 9 N -4.36 0.63 0.17 0.04 1.02 -0.75 -4.04 120.64 113.36 1ito n GLU 9 Ca 0.04 0.09 0.06 0.00 -0.02 0.00 0.00 57.16 57.33 1ito n GLU 9 Cb 0.15 -1.73 0.16 0.00 -0.02 0.00 0.00 31.44 30.00 1ito n GLU 9 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ito h GLN 10 N 0.00 0.00 -2.10 3.49 1.08 -1.07 -3.36 115.11 113.15 1ito h GLN 10 Ca -0.13 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.49 1ito h GLN 10 Cb 1.40 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.42 1ito h GLN 10 CO 0.02 0.34 -0.83 0.91 -0.95 0.00 0.00 178.83 178.33 1ito n TRP 11 N -3.24 1.83 0.07 2.96 8.01 -0.73 -4.96 117.44 121.38 1ito n TRP 11 Ca 0.02 -3.89 0.20 0.00 -1.31 0.00 0.00 57.50 52.52 1ito n TRP 11 Cb 0.62 -0.46 0.74 0.00 -2.01 0.00 0.00 31.31 30.19 1ito n TRP 11 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 1ito h PRO 12 N 4.07 0.00 -0.08 -0.99 0.11 -1.73 -1.56 132.00 131.83 1ito h PRO 12 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1ito h PRO 12 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1ito h PRO 12 CO 0.67 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.55 1ito n ASN 13 N -4.07 0.62 -3.86 -2.05 4.13 -1.26 -4.42 115.26 104.35 1ito n ASN 13 Ca 0.07 -1.66 -0.29 0.00 1.68 0.00 0.00 54.58 54.39 1ito n ASN 13 Cb 0.55 -0.05 -0.13 0.00 -1.54 0.00 0.00 39.78 38.61 1ito n ASN 13 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ito h PRO 15 N 5.98 0.80 -0.57 0.00 0.13 -1.82 -2.80 132.00 133.71 1ito h PRO 15 Ca 0.05 -0.05 0.17 0.00 -0.87 0.00 0.00 66.00 65.30 1ito h PRO 15 Cb 0.83 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 1ito h PRO 15 CO 0.66 0.53 0.45 1.79 -0.23 0.00 0.00 178.00 181.20 1ito h THR 16 N 0.83 0.59 -0.09 1.56 1.35 -1.95 0.35 112.91 115.55 1ito h THR 16 Ca 0.22 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 66.11 1ito h THR 16 Cb -0.10 0.67 -0.00 0.00 -1.73 0.00 0.00 68.15 66.99 1ito h THR 16 CO -0.05 0.00 0.10 0.40 -0.25 0.00 0.00 175.52 175.72 1ito h ILE 17 N 0.00 0.55 -0.05 6.82 2.04 -1.85 -1.74 117.51 123.27 1ito h ILE 17 Ca 0.27 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.13 1ito h ILE 17 Cb 1.18 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1ito h ILE 17 CO -0.00 0.00 0.00 2.29 0.00 0.00 0.00 178.15 180.44 1ito n LYS 18 N -3.90 1.74 -3.24 2.37 2.85 0.11 -4.79 118.16 113.30 1ito n LYS 18 Ca -0.01 -1.69 -0.36 0.00 -1.05 0.00 0.00 58.31 55.21 1ito n LYS 18 Cb 0.20 -1.38 -0.06 0.00 -0.65 0.00 0.00 35.03 33.14 1ito n LYS 18 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1ito s GLU 19 N -1.60 4.11 -0.12 -1.58 -1.05 -0.66 -5.07 118.70 112.73 1ito s GLU 19 Ca 0.23 0.67 0.00 0.00 -0.15 0.00 0.00 54.97 55.73 1ito s GLU 19 Cb 0.16 -2.92 -0.01 0.00 -0.44 0.00 0.00 34.13 30.92 1ito s GLU 19 CO 0.24 0.45 -0.14 0.42 0.95 0.00 0.00 175.26 177.18 1ito s ILE 20 N -1.47 2.97 0.41 1.83 -1.09 -1.26 -5.03 121.20 117.55 1ito s ILE 20 Ca 0.40 -0.70 0.06 0.00 -2.23 0.00 0.00 60.65 58.18 1ito s ILE 20 Cb -0.16 -2.23 0.06 0.00 -1.58 0.00 0.00 42.46 38.55 1ito s ILE 20 CO 0.20 0.53 0.47 0.54 -1.23 0.00 0.00 174.94 175.45 1ito n ARG 21 N 3.45 0.79 -3.71 2.79 1.74 -1.26 -4.76 116.66 115.69 1ito n ARG 21 Ca -0.18 -2.32 -0.24 0.00 -0.77 0.00 0.00 57.85 54.34 1ito n ARG 21 Cb 0.53 -0.01 -0.17 0.00 -1.02 0.00 0.00 32.46 31.78 1ito n ARG 21 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ito s ASP 22 N -3.48 1.91 0.11 0.55 3.68 -1.26 -1.54 116.67 116.64 1ito s ASP 22 Ca 0.36 -0.30 0.20 0.00 2.13 0.00 0.00 52.55 54.94 1ito s ASP 22 Cb -0.03 -0.37 0.83 0.00 -1.45 0.00 0.00 42.92 41.90 1ito s ASP 22 CO 0.23 -0.26 1.63 0.00 0.13 0.00 0.00 175.17 176.90 1ito n GLN 23 N 5.18 0.09 0.00 4.34 10.64 -0.29 -4.83 117.38 132.51 1ito n GLN 23 Ca -0.07 0.28 0.00 0.00 -1.83 0.00 0.00 57.00 55.38 1ito n GLN 23 Cb 0.49 -1.66 0.00 0.00 -0.86 0.00 0.00 30.24 28.21 1ito n GLN 23 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ito n GLY 24 N 0.28 -0.42 2.58 2.61 0.00 -1.26 -3.86 105.19 105.12 1ito n GLY 24 Ca 0.04 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1ito n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ito n SER 25 N -1.88 5.65 -3.67 1.61 7.64 -1.26 -4.80 113.62 116.91 1ito n SER 25 Ca 0.00 -2.75 -0.12 0.00 1.01 0.00 0.00 58.87 57.01 1ito n SER 25 Cb 0.00 -1.62 -0.08 0.00 -1.01 0.00 0.00 64.21 61.50 1ito n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ito n GLY 27 N 3.32 4.25 1.59 0.00 0.00 -0.17 -4.52 105.19 109.67 1ito n GLY 27 Ca -0.16 -1.55 0.08 0.00 0.00 0.00 0.00 46.02 44.39 1ito n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ito n SER 28 N 3.19 5.05 -0.34 1.61 3.41 -1.26 -2.81 113.62 122.47 1ito n SER 28 Ca 0.73 -2.77 0.13 0.00 -0.26 0.00 0.00 58.87 56.70 1ito n SER 28 Cb 0.30 -0.62 0.34 0.00 -0.26 0.00 0.00 64.21 63.98 1ito n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ito h TRP 30 N 0.74 0.99 0.01 0.00 5.08 -1.83 -0.29 115.95 120.65 1ito h TRP 30 Ca 0.55 0.03 -0.20 0.00 1.08 0.00 0.00 58.89 60.35 1ito h TRP 30 Cb 0.90 -0.31 -0.02 0.00 -3.00 0.00 0.00 29.16 26.72 1ito h TRP 30 CO -0.00 0.35 -0.96 0.00 -1.28 0.00 0.00 178.44 176.54 1ito h ALA 31 N 1.58 0.43 -0.03 0.11 0.00 -1.11 -3.27 119.26 116.98 1ito h ALA 31 Ca 0.49 -0.84 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1ito h ALA 31 Cb 0.68 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ito h ALA 31 CO -0.26 1.12 -0.10 0.74 0.00 0.00 0.00 179.25 180.75 1ito h PHE 32 N 0.02 0.16 -0.98 0.00 -1.00 -0.49 -1.54 116.94 113.11 1ito h PHE 32 Ca -0.03 -0.07 0.19 0.00 2.81 0.00 0.00 57.97 60.88 1ito h PHE 32 Cb 1.67 -0.03 -0.09 0.00 3.61 0.00 0.00 35.95 41.11 1ito h PHE 32 CO 0.01 0.74 0.61 0.78 -1.61 0.00 0.00 178.31 178.84 1ito h GLY 33 N -0.46 1.52 0.41 -1.45 0.00 -1.25 -0.87 103.07 100.98 1ito h GLY 33 Ca -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1ito h GLY 33 CO 0.02 -0.04 -0.20 0.00 0.00 0.00 0.00 176.54 176.32 1ito h ALA 34 N 1.63 -0.72 -0.18 3.60 0.00 -1.59 -2.60 119.26 119.41 1ito h ALA 34 Ca 0.55 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.36 1ito h ALA 34 Cb 0.98 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1ito h ALA 34 CO -0.32 -0.68 0.12 -0.39 0.00 0.00 0.00 179.25 177.98 1ito h VAL 35 N -0.87 0.99 0.08 0.00 -1.51 -1.07 0.20 116.25 114.07 1ito h VAL 35 Ca -0.06 -0.05 -0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1ito h VAL 35 Cb 0.43 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 1ito h VAL 35 CO 0.09 0.03 -0.04 -0.33 -1.23 0.00 0.00 177.57 176.09 1ito h GLU 36 N 0.14 -0.10 -0.69 5.19 5.08 -1.24 -0.51 114.58 122.44 1ito h GLU 36 Ca 0.07 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1ito h GLU 36 Cb 0.13 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1ito h GLU 36 CO -0.01 0.26 0.19 0.00 -1.00 0.00 0.00 179.01 178.45 1ito h ALA 37 N 0.39 1.04 -0.54 3.43 0.00 -1.01 -2.10 119.26 120.47 1ito h ALA 37 Ca -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1ito h ALA 37 Cb 0.41 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ito h ALA 37 CO 0.02 0.64 0.24 0.82 0.00 0.00 0.00 179.25 180.97 1ito h ILE 38 N 1.03 1.21 -0.31 0.00 2.04 -0.61 -1.01 117.51 119.86 1ito h ILE 38 Ca 0.22 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.49 1ito h ILE 38 Cb 0.32 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1ito h ILE 38 CO -0.00 0.24 0.13 0.28 0.00 0.00 0.00 178.15 178.80 1ito h SER 39 N 0.73 0.17 -0.30 1.72 0.02 -0.76 0.47 113.55 115.61 1ito h SER 39 Ca 0.18 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1ito h SER 39 Cb 0.15 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1ito h SER 39 CO -0.02 0.14 0.07 0.44 -1.14 0.00 0.00 176.83 176.32 1ito h ASP 40 N 0.28 0.04 0.23 3.07 3.32 -1.03 -2.28 116.42 120.06 1ito h ASP 40 Ca 0.14 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 1ito h ASP 40 Cb 0.08 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1ito h ASP 40 CO -0.12 0.06 -0.29 0.03 -1.72 0.00 0.00 179.24 177.20 1ito h ARG 41 N 0.19 0.11 -0.27 3.56 3.08 -0.66 0.04 114.38 120.42 1ito h ARG 41 Ca 0.14 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 1ito h ARG 41 Cb 0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1ito h ARG 41 CO -0.17 0.40 -0.26 0.82 -1.07 0.00 0.00 179.97 179.69 1ito h ILE 42 N 0.10 1.27 0.00 2.04 2.04 -0.54 -1.07 117.51 121.35 1ito h ILE 42 Ca 0.01 -1.32 -0.22 0.00 1.00 0.00 0.00 64.86 64.34 1ito h ILE 42 Cb 0.58 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1ito h ILE 42 CO 0.04 0.42 -0.92 0.00 0.00 0.00 0.00 178.15 177.69 1ito h ILE 44 N 0.19 1.36 -0.75 0.00 2.04 -0.78 -3.30 117.51 116.26 1ito h ILE 44 Ca -0.07 -2.24 -0.26 0.00 1.00 0.00 0.00 64.86 63.30 1ito h ILE 44 Cb 1.55 2.23 -0.16 0.00 -0.74 0.00 0.00 36.82 39.71 1ito h ILE 44 CO 0.15 0.68 0.31 1.41 0.00 0.00 0.00 178.15 180.71 1ito n HIS 45 N -3.82 2.46 -2.95 1.37 8.25 -0.43 -4.31 115.22 115.79 1ito n HIS 45 Ca -0.06 -1.33 -0.13 0.00 -0.26 0.00 0.00 57.72 55.93 1ito n HIS 45 Cb 0.78 -0.71 0.03 0.00 1.12 0.00 0.00 29.99 31.21 1ito n HIS 45 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ito n SER 46 N -0.39 -0.84 -3.63 0.41 3.41 -1.20 -4.81 113.62 106.57 1ito n SER 46 Ca 0.43 -3.38 -0.27 0.00 -0.26 0.00 0.00 58.87 55.40 1ito n SER 46 Cb 1.41 0.72 -0.16 0.00 -0.26 0.00 0.00 64.21 65.92 1ito n SER 46 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ito s ASN 47 N -1.82 2.85 0.00 4.04 -0.87 -1.26 -4.86 114.94 113.02 1ito s ASN 47 Ca 0.31 -0.88 0.00 0.00 -1.57 0.00 0.00 52.86 50.72 1ito s ASN 47 Cb 0.32 -0.38 0.00 0.00 -0.02 0.00 0.00 41.25 41.17 1ito s ASN 47 CO -0.06 -0.37 0.00 1.33 -2.57 0.00 0.00 177.10 175.43 1ito n VAL 50 N 5.20 0.00 -3.42 1.60 0.24 -1.26 -5.18 118.33 115.50 1ito n VAL 50 Ca -0.07 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.83 1ito n VAL 50 Cb 0.47 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.74 1ito n VAL 50 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1ito s ASN 51 N 0.00 6.18 -0.06 -1.34 2.47 -1.26 -4.07 114.94 116.86 1ito s ASN 51 Ca 0.00 -0.04 -0.03 0.00 0.42 0.00 0.00 52.86 53.22 1ito s ASN 51 Cb 0.00 -2.19 0.04 0.00 -1.45 0.00 0.00 41.25 37.65 1ito s ASN 51 CO 0.00 -0.25 0.13 0.54 -3.72 0.00 0.00 177.10 173.80 1ito s VAL 52 N 2.00 -0.10 -0.53 -5.21 0.11 -1.26 -5.10 120.40 110.30 1ito s VAL 52 Ca 0.12 0.24 -0.23 0.00 -2.93 0.00 0.00 61.98 59.18 1ito s VAL 52 Cb -0.16 -0.23 0.05 0.00 -1.53 0.00 0.00 36.38 34.50 1ito s VAL 52 CO 0.11 0.10 0.84 -1.61 -3.33 0.00 0.00 175.10 171.20 1ito s GLU 53 N 1.47 3.27 0.25 1.54 2.02 -1.26 -4.72 118.70 121.26 1ito s GLU 53 Ca -0.06 -0.45 -0.30 0.00 0.02 0.00 0.00 54.97 54.18 1ito s GLU 53 Cb -0.12 -4.06 -0.10 0.00 0.10 0.00 0.00 34.13 29.95 1ito s GLU 53 CO -0.05 -1.39 1.47 0.08 0.02 0.00 0.00 175.26 175.39 1ito s VAL 54 N 3.51 2.58 -0.13 2.63 1.01 -1.26 -0.51 120.40 128.23 1ito s VAL 54 Ca 0.26 0.48 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 1ito s VAL 54 Cb -0.15 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1ito s VAL 54 CO 0.17 0.07 1.65 -0.55 0.00 0.00 0.00 175.10 176.44 1ito s SER 55 N 0.44 6.51 0.26 3.32 0.15 0.67 -4.50 113.70 120.54 1ito s SER 55 Ca 0.61 1.95 0.09 0.00 0.70 0.00 0.00 55.95 59.30 1ito s SER 55 Cb -0.43 -2.53 0.30 0.00 -1.71 0.00 0.00 66.02 61.65 1ito s SER 55 CO 0.43 -1.10 1.58 0.00 1.20 0.00 0.00 173.24 175.35 1ito h ALA 56 N 10.21 0.91 -0.65 5.45 0.00 -1.83 -3.00 119.26 130.35 1ito h ALA 56 Ca -0.37 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 53.96 1ito h ALA 56 Cb 1.17 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1ito h ALA 56 CO 0.97 0.80 0.40 1.49 0.00 0.00 0.00 179.25 182.91 1ito h GLU 57 N 0.03 0.87 -0.48 0.00 4.57 -1.87 -0.70 114.58 117.00 1ito h GLU 57 Ca -0.01 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.03 1ito h GLU 57 Cb 1.15 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.54 1ito h GLU 57 CO 0.09 0.62 0.04 0.22 -1.18 0.00 0.00 179.01 178.79 1ito h ASP 58 N 0.88 0.79 0.39 1.04 -0.00 -1.79 -2.27 116.42 115.45 1ito h ASP 58 Ca 0.23 -0.28 -0.02 0.00 -0.00 0.00 0.00 57.03 56.96 1ito h ASP 58 Cb -0.04 -0.21 0.00 0.00 -0.00 0.00 0.00 39.33 39.08 1ito h ASP 58 CO -0.04 0.88 -0.19 -0.03 -0.00 0.00 0.00 179.24 179.86 1ito h MET 59 N 0.68 -0.50 -0.96 0.28 4.05 -1.42 -1.08 114.93 115.97 1ito h MET 59 Ca 0.14 0.03 0.08 0.00 -0.28 0.00 0.00 59.70 59.67 1ito h MET 59 Cb 0.45 0.11 -0.07 0.00 -0.80 0.00 0.00 31.60 31.29 1ito h MET 59 CO 0.02 -0.21 0.62 1.25 0.23 0.00 0.00 176.91 178.82 1ito h LEU 60 N -0.78 0.96 0.00 3.39 6.46 -1.17 -2.89 115.31 121.28 1ito h LEU 60 Ca -0.05 0.02 -0.22 0.00 -0.12 0.00 0.00 57.88 57.51 1ito h LEU 60 Cb 0.52 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.23 1ito h LEU 60 CO 0.09 0.59 -1.91 0.35 -0.62 0.00 0.00 178.44 176.94 1ito n THR 61 N -4.52 1.05 0.56 1.05 -2.24 -0.86 -4.55 114.28 104.77 1ito n THR 61 Ca 0.15 -0.72 0.06 0.00 -2.27 0.00 0.00 64.05 61.27 1ito n THR 61 Cb 0.23 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 1ito n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ito n GLY 64 N 0.42 -1.45 0.33 0.00 0.00 -1.26 -4.16 105.19 99.07 1ito n GLY 64 Ca -0.06 -1.39 0.19 0.00 0.00 0.00 0.00 46.02 44.76 1ito n GLY 64 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ito h GLY 65 N 0.00 0.00 2.00 -0.02 0.00 -1.96 -1.57 103.07 101.52 1ito h GLY 65 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1ito h GLY 65 CO 0.00 0.00 -0.06 -2.09 0.00 0.00 0.00 176.54 174.39 1ito h GLU 66 N 0.00 0.00 -0.01 4.80 4.22 -1.98 -2.59 114.58 119.01 1ito h GLU 66 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1ito h GLU 66 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1ito h GLU 66 CO -0.00 0.06 -0.24 0.00 -2.18 0.00 0.00 179.01 176.65 1ito n GLY 68 N 0.98 0.18 2.50 0.00 0.00 -0.98 0.89 105.19 108.77 1ito n GLY 68 Ca 0.05 -1.37 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 1ito n GLY 68 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ito n ASP 69 N 0.00 1.94 0.00 1.61 4.64 0.14 -4.20 116.55 120.69 1ito n ASP 69 Ca 0.00 -3.04 0.00 0.00 -1.38 0.00 0.00 54.79 50.37 1ito n ASP 69 Cb 0.00 -0.56 0.00 0.00 -1.04 0.00 0.00 41.12 39.52 1ito n ASP 69 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ito n GLY 70 N -0.01 2.92 0.00 0.27 0.00 -1.25 0.07 105.19 107.18 1ito n GLY 70 Ca 0.21 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.51 1ito n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ito n ASN 72 N -1.23 1.67 0.00 0.00 4.13 0.11 -1.00 115.26 118.95 1ito n ASN 72 Ca 0.08 -1.56 0.00 0.00 1.68 0.00 0.00 54.58 54.78 1ito n ASN 72 Cb 0.11 -0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 1ito n ASN 72 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ito n GLY 73 N 1.19 2.77 0.67 7.41 0.00 -0.82 -4.81 105.19 111.60 1ito n GLY 73 Ca 0.18 -1.85 -0.02 0.00 0.00 0.00 0.00 46.02 44.33 1ito n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ito n GLY 74 N 0.49 2.53 3.30 -0.02 0.00 -1.26 0.28 105.19 110.52 1ito n GLY 74 Ca 0.00 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.35 1ito n GLY 74 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ito s PHE 75 N -5.75 3.25 0.20 1.61 0.40 0.26 -4.86 117.98 113.08 1ito s PHE 75 Ca 0.05 -1.29 -0.20 0.00 -0.60 0.00 0.00 56.93 54.89 1ito s PHE 75 Cb -0.00 -2.32 0.15 0.00 0.51 0.00 0.00 43.02 41.36 1ito s PHE 75 CO 0.03 -0.70 1.58 -1.35 0.70 0.00 0.00 175.22 175.48 1ito h PRO 76 N 8.28 -0.12 0.00 0.24 0.11 -1.86 0.17 132.00 138.82 1ito h PRO 76 Ca -0.24 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.88 1ito h PRO 76 Cb 1.09 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ito h PRO 76 CO 0.62 -0.08 -0.01 0.66 -0.21 0.00 0.00 178.00 178.98 1ito h SER 77 N -0.13 0.00 -0.05 -2.05 4.64 -1.95 -0.43 113.55 113.59 1ito h SER 77 Ca 0.26 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.41 1ito h SER 77 Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1ito h SER 77 CO -0.74 0.01 -0.54 1.23 -0.87 0.00 0.00 176.83 175.92 1ito h GLY 78 N 0.08 0.70 1.01 -0.77 0.00 -0.92 -2.49 103.07 100.68 1ito h GLY 78 Ca -0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 1ito h GLY 78 CO 0.00 0.72 0.33 0.00 0.00 0.00 0.00 176.54 177.59 1ito h ALA 79 N 0.91 0.88 0.00 3.60 0.00 -0.78 0.02 119.26 123.89 1ito h ALA 79 Ca 0.01 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1ito h ALA 79 Cb 1.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1ito h ALA 79 CO 0.11 0.45 -0.37 -1.49 0.00 0.00 0.00 179.25 177.95 1ito h TRP 80 N 0.96 0.00 -0.27 0.00 4.06 -1.46 -2.44 115.95 116.79 1ito h TRP 80 Ca 0.24 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.08 1ito h TRP 80 Cb 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.28 1ito h TRP 80 CO 0.01 0.37 -0.24 -0.91 -3.56 0.00 0.00 178.44 174.10 1ito h ASN 81 N 0.00 0.69 -0.62 -3.49 4.21 -0.85 -2.87 115.58 112.65 1ito h ASN 81 Ca -0.00 -0.46 0.00 0.00 1.21 0.00 0.00 56.30 57.05 1ito h ASN 81 Cb 0.74 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 37.72 1ito h ASN 81 CO 0.05 1.00 0.41 0.15 -1.29 0.00 0.00 177.43 177.74 1ito h PHE 82 N 0.38 0.78 -0.73 1.19 3.04 -0.76 -0.94 116.94 119.90 1ito h PHE 82 Ca 0.05 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.99 1ito h PHE 82 Cb 0.80 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 39.01 1ito h PHE 82 CO 0.07 0.50 0.36 2.35 -2.02 0.00 0.00 178.31 179.57 1ito h TRP 83 N 0.84 1.02 0.00 0.41 7.01 -1.26 0.27 115.95 124.24 1ito h TRP 83 Ca 0.23 -0.04 -0.04 0.00 2.11 0.00 0.00 58.89 61.15 1ito h TRP 83 Cb -0.09 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 26.64 1ito h TRP 83 CO 0.00 0.73 -0.34 1.79 -2.79 0.00 0.00 178.44 177.84 1ito h THR 84 N 1.03 0.32 0.00 2.65 1.35 -1.14 -2.05 112.91 115.07 1ito h THR 84 Ca 0.25 -1.47 -0.05 0.00 -0.55 0.00 0.00 66.41 64.59 1ito h THR 84 Cb 0.09 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 1ito h THR 84 CO -0.03 0.18 -0.64 0.11 -0.25 0.00 0.00 175.52 174.89 1ito h LYS 85 N 0.00 0.00 0.00 4.72 6.56 -0.66 -3.43 116.57 123.75 1ito h LYS 85 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1ito h LYS 85 Cb 1.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 1ito h LYS 85 CO 0.02 0.26 -1.59 1.63 -2.06 0.00 0.00 179.45 177.72 1ito n LYS 86 N -4.59 0.67 0.00 3.15 4.76 0.91 -5.09 118.16 117.98 1ito n LYS 86 Ca -0.13 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.19 1ito n LYS 86 Cb 0.35 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 1ito n LYS 86 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ito n GLY 87 N 1.58 -1.50 2.98 0.72 0.00 -0.88 -4.86 105.19 103.23 1ito n GLY 87 Ca -0.02 -1.54 -0.17 0.00 0.00 0.00 0.00 46.02 44.29 1ito n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ito s LEU 88 N -3.33 2.01 0.65 0.99 1.43 0.38 -4.70 118.68 116.13 1ito s LEU 88 Ca 0.00 -0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1ito s LEU 88 Cb 0.00 -0.34 0.07 0.00 0.03 0.00 0.00 46.19 45.95 1ito s LEU 88 CO 0.00 0.08 0.92 0.68 0.23 0.00 0.00 176.35 178.26 1ito s VAL 89 N -0.16 2.40 0.57 -1.59 -7.23 -1.26 0.61 120.40 113.75 1ito s VAL 89 Ca 0.02 -0.48 -0.09 0.00 -1.81 0.00 0.00 61.98 59.63 1ito s VAL 89 Cb -0.03 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 1ito s VAL 89 CO -0.00 0.00 0.94 -0.94 -0.31 0.00 0.00 175.10 174.79 1ito s SER 90 N -4.53 6.22 0.00 4.85 1.04 -1.26 -0.24 113.70 119.79 1ito s SER 90 Ca 0.60 1.24 0.00 0.00 0.48 0.00 0.00 55.95 58.27 1ito s SER 90 Cb -0.09 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1ito s SER 90 CO 0.42 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1ito n GLY 91 N -2.58 1.00 0.00 7.32 0.00 0.33 -0.36 105.19 110.90 1ito n GLY 91 Ca 0.04 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1ito n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ito n GLY 92 N 0.00 1.22 3.69 -0.02 0.00 0.11 -3.90 105.19 106.29 1ito n GLY 92 Ca 0.00 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 1ito n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ito s LEU 93 N 0.00 2.15 0.29 0.99 1.43 -1.26 -1.17 118.68 121.11 1ito s LEU 93 Ca 0.00 1.57 -0.30 0.00 -1.03 0.00 0.00 54.13 54.36 1ito s LEU 93 Cb 0.00 -3.92 -0.12 0.00 0.03 0.00 0.00 46.19 42.18 1ito s LEU 93 CO 0.00 -2.88 1.60 0.00 0.23 0.00 0.00 176.35 175.30 1ito n TYR 94 N -4.05 2.83 -1.00 0.29 4.19 -1.25 -1.56 117.16 116.61 1ito n TYR 94 Ca 0.07 0.25 -0.00 0.00 3.31 0.00 0.00 57.90 61.53 1ito n TYR 94 Cb 0.55 -2.60 -0.00 0.00 0.49 0.00 0.00 39.34 37.78 1ito n TYR 94 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 1ito n ASN 95 N 2.22 -5.12 0.06 2.98 2.85 -1.26 -4.85 115.26 112.15 1ito n ASN 95 Ca 0.09 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.50 1ito n ASN 95 Cb 0.36 -2.63 -0.11 0.00 1.24 0.00 0.00 39.78 38.64 1ito n ASN 95 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1ito h SER 96 N 0.00 0.00 -1.18 1.20 4.64 -1.63 -3.47 113.55 113.11 1ito h SER 96 Ca -0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 1ito h SER 96 Cb 0.71 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.73 1ito h SER 96 CO 0.00 0.97 -0.29 1.41 -0.87 0.00 0.00 176.83 178.06 1ito n HIS 97 N -3.35 -0.27 -4.12 4.77 8.25 -1.26 -5.00 115.22 114.24 1ito n HIS 97 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1ito n HIS 97 Cb 0.93 -2.62 -0.09 0.00 1.12 0.00 0.00 29.99 29.32 1ito n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ito s VAL 98 N -2.57 4.68 0.00 1.59 1.01 -1.26 -5.02 120.40 118.83 1ito s VAL 98 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1ito s VAL 98 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1ito s VAL 98 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1ito n GLY 99 N 2.95 -1.34 0.07 4.51 0.00 -1.26 0.08 105.19 110.20 1ito n GLY 99 Ca -0.18 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 1ito n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ito s ARG 101 N -5.73 1.06 0.72 0.00 0.52 0.51 -0.45 118.95 115.58 1ito s ARG 101 Ca -0.14 -1.70 -0.14 0.00 -0.52 0.00 0.00 55.73 53.23 1ito s ARG 101 Cb 0.05 -2.13 0.03 0.00 0.52 0.00 0.00 34.95 33.42 1ito s ARG 101 CO 0.65 -1.13 1.13 -2.14 0.02 0.00 0.00 175.30 173.84 1ito s PRO 102 N 0.74 2.38 0.30 3.54 0.02 -1.26 -4.19 135.00 136.53 1ito s PRO 102 Ca 0.16 1.45 -0.29 0.00 0.02 0.00 0.00 61.00 62.34 1ito s PRO 102 Cb -0.23 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.30 1ito s PRO 102 CO -0.05 -1.59 1.46 -0.47 -0.33 0.00 0.00 177.00 176.02 1ito s TYR 103 N -2.39 2.86 -1.86 6.54 5.04 -0.31 -4.81 117.35 122.42 1ito s TYR 103 Ca 0.68 1.08 0.21 0.00 -2.44 0.00 0.00 57.07 56.60 1ito s TYR 103 Cb -0.22 -3.90 -0.03 0.00 0.35 0.00 0.00 41.96 38.16 1ito s TYR 103 CO 0.47 -2.80 1.03 -1.13 -1.34 0.00 0.00 175.55 171.77 1ito n SER 104 N 1.56 1.88 -4.63 4.32 3.41 -1.26 -3.86 113.62 115.05 1ito n SER 104 Ca 0.04 -1.44 -0.38 0.00 -0.26 0.00 0.00 58.87 56.83 1ito n SER 104 Cb 0.40 0.52 -0.09 0.00 -0.26 0.00 0.00 64.21 64.78 1ito n SER 104 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ito s ILE 105 N -2.43 5.21 0.41 -1.33 1.01 -1.26 -5.04 121.20 117.77 1ito s ILE 105 Ca 0.17 0.53 -0.26 0.00 0.00 0.00 0.00 60.65 61.09 1ito s ILE 105 Cb 0.17 -3.67 -0.10 0.00 0.01 0.00 0.00 42.46 38.87 1ito s ILE 105 CO 0.57 0.21 1.35 -2.65 0.00 0.00 0.00 174.94 174.42 1ito n PRO 106 N 4.97 2.18 -1.57 2.79 -0.02 -1.26 -4.70 135.00 137.38 1ito n PRO 106 Ca -0.10 0.77 -0.32 0.00 -2.02 0.00 0.00 63.50 61.84 1ito n PRO 106 Cb 0.51 -2.49 0.06 0.00 -0.02 0.00 0.00 33.50 31.56 1ito n PRO 106 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ito s PRO 107 N -2.20 2.70 0.29 0.52 0.04 -1.26 -4.20 135.00 130.89 1ito s PRO 107 Ca 0.59 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.67 1ito s PRO 107 Cb -0.50 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.11 1ito s PRO 107 CO 0.60 -1.30 0.60 0.00 0.04 0.00 0.00 177.00 176.93 1ito s GLU 109 N -3.62 4.26 -0.75 0.00 0.41 0.16 -4.77 118.70 114.38 1ito s GLU 109 Ca 0.19 1.13 -0.13 0.00 -0.41 0.00 0.00 54.97 55.75 1ito s GLU 109 Cb -0.03 -3.62 0.20 0.00 -1.78 0.00 0.00 34.13 28.90 1ito s GLU 109 CO 0.10 -0.48 0.67 -1.01 -0.49 0.00 0.00 175.26 174.05 1ito s HIS 110 N 2.70 3.64 -1.53 1.61 3.76 -1.26 -1.25 115.29 122.95 1ito s HIS 110 Ca 0.40 -2.00 -0.04 0.00 -0.15 0.00 0.00 55.06 53.27 1ito s HIS 110 Cb -0.16 -3.72 0.01 0.00 1.11 0.00 0.00 32.58 29.82 1ito s HIS 110 CO 0.09 -0.97 0.46 0.72 -0.85 0.00 0.00 174.74 174.18 1ito n HIS 111 N 4.11 -1.76 -3.90 1.40 8.25 -1.26 -4.90 115.22 117.16 1ito n HIS 111 Ca 0.09 0.40 -0.09 0.00 -0.26 0.00 0.00 57.72 57.85 1ito n HIS 111 Cb 0.45 -4.11 -0.06 0.00 1.12 0.00 0.00 29.99 27.39 1ito n HIS 111 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1ito s VAL 112 N -3.09 0.06 -0.01 1.59 -7.23 -1.26 -4.88 120.40 105.59 1ito s VAL 112 Ca 0.25 -1.23 -0.08 0.00 -1.81 0.00 0.00 61.98 59.11 1ito s VAL 112 Cb -0.12 -1.74 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 1ito s VAL 112 CO 0.31 -0.29 0.28 0.20 -0.31 0.00 0.00 175.10 175.29 1ito s ASN 113 N -2.94 6.53 0.03 4.85 0.01 -1.26 -4.82 114.94 117.35 1ito s ASN 113 Ca 0.14 0.62 -0.08 0.00 -0.71 0.00 0.00 52.86 52.84 1ito s ASN 113 Cb 0.02 -2.12 0.03 0.00 0.41 0.00 0.00 41.25 39.60 1ito s ASN 113 CO -0.02 0.28 0.37 0.61 -1.51 0.00 0.00 177.10 176.83 1ito n GLY 114 N 1.32 0.86 0.06 0.66 0.00 -1.26 -5.01 105.19 101.82 1ito n GLY 114 Ca -0.13 -0.96 0.15 0.00 0.00 0.00 0.00 46.02 45.08 1ito n GLY 114 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ito n SER 115 N -0.68 0.25 -4.93 1.61 3.41 -1.26 -4.85 113.62 107.17 1ito n SER 115 Ca 0.00 -0.49 -0.26 0.00 -0.26 0.00 0.00 58.87 57.86 1ito n SER 115 Cb 0.19 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 1ito n SER 115 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ito s ARG 116 N -2.43 3.54 0.52 4.33 0.52 -1.26 -5.07 118.95 119.10 1ito s ARG 116 Ca 0.32 -0.24 -0.21 0.00 -0.52 0.00 0.00 55.73 55.08 1ito s ARG 116 Cb 0.20 -2.70 -0.06 0.00 0.52 0.00 0.00 34.95 32.92 1ito s ARG 116 CO 0.45 0.22 1.20 -2.14 0.02 0.00 0.00 175.30 175.05 1ito s PRO 117 N -3.88 3.39 0.68 3.54 0.02 -1.26 -4.43 135.00 133.07 1ito s PRO 117 Ca 0.41 1.82 -0.16 0.00 0.02 0.00 0.00 61.00 63.09 1ito s PRO 117 Cb -0.10 -2.18 0.01 0.00 0.02 0.00 0.00 34.50 32.25 1ito s PRO 117 CO 0.33 -0.87 1.18 -1.25 -0.33 0.00 0.00 177.00 176.06 1ito s PRO 118 N -3.01 2.49 0.36 5.54 0.04 -1.26 -0.66 135.00 138.49 1ito s PRO 118 Ca 0.70 1.68 -0.26 0.00 0.04 0.00 0.00 61.00 63.16 1ito s PRO 118 Cb -0.30 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 1ito s PRO 118 CO 0.34 -1.55 1.05 0.00 0.04 0.00 0.00 177.00 176.89 1ito s THR 120 N -1.50 0.89 0.12 0.00 -4.23 -1.26 -4.99 115.64 104.66 1ito s THR 120 Ca 0.53 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1ito s THR 120 Cb -0.25 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1ito s THR 120 CO 0.31 -0.72 0.41 0.61 -0.54 0.00 0.00 174.62 174.69 1ito n GLY 121 N 4.66 -0.09 3.42 3.99 0.00 -1.26 -4.14 105.19 111.77 1ito n GLY 121 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1ito n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ito s GLU 122 N -1.73 3.40 -0.03 1.61 2.02 -1.26 -4.58 118.70 118.13 1ito s GLU 122 Ca 0.00 -1.61 -0.01 0.00 0.02 0.00 0.00 54.97 53.37 1ito s GLU 122 Cb 0.00 -4.60 0.03 0.00 0.10 0.00 0.00 34.13 29.66 1ito s GLU 122 CO 0.00 -1.67 0.07 0.20 0.02 0.00 0.00 175.26 173.88 1ito s GLY 123 N 3.44 0.03 0.46 -1.39 0.00 -1.07 -4.99 107.32 103.80 1ito s GLY 123 Ca 0.25 0.39 -0.10 0.00 0.00 0.00 0.00 44.72 45.25 1ito s GLY 123 CO -0.03 0.69 0.83 0.99 0.00 0.00 0.00 173.10 175.58 1ito s ASP 124 N 0.92 6.46 -0.09 1.64 1.01 -1.26 -4.78 116.67 120.57 1ito s ASP 124 Ca -0.07 1.19 -0.30 0.00 0.71 0.00 0.00 52.55 54.08 1ito s ASP 124 Cb -0.10 -2.35 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 1ito s ASP 124 CO -0.03 -0.51 1.26 -0.89 0.21 0.00 0.00 175.17 175.21 1ito s THR 125 N -2.56 4.17 1.00 -1.27 2.01 -1.26 -4.92 115.64 112.81 1ito s THR 125 Ca 0.52 1.48 -0.11 0.00 0.31 0.00 0.00 61.69 63.89 1ito s THR 125 Cb -0.10 -3.95 0.19 0.00 0.01 0.00 0.00 72.50 68.65 1ito s THR 125 CO 0.36 -0.05 1.10 -2.84 -0.69 0.00 0.00 174.62 172.50 1ito s PRO 126 N 2.73 0.36 0.61 4.92 0.02 -1.26 -4.97 135.00 137.40 1ito s PRO 126 Ca 0.57 1.27 -0.16 0.00 0.02 0.00 0.00 61.00 62.70 1ito s PRO 126 Cb -0.25 -1.67 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 1ito s PRO 126 CO 0.20 -2.99 1.10 0.15 -0.33 0.00 0.00 177.00 175.13 1ito s LYS 127 N -4.60 3.09 -0.82 5.54 1.02 -1.26 -4.74 119.74 117.99 1ito s LYS 127 Ca 0.67 1.40 -0.20 0.00 0.02 0.00 0.00 55.97 57.85 1ito s LYS 127 Cb -0.23 -1.99 0.10 0.00 -0.52 0.00 0.00 37.83 35.19 1ito s LYS 127 CO 0.60 -1.02 1.05 0.00 -0.92 0.00 0.00 175.35 175.07 1ito s SER 129 N 3.70 6.08 -1.36 0.00 0.15 -1.26 -4.99 113.70 116.00 1ito s SER 129 Ca 0.28 -0.53 -0.06 0.00 0.70 0.00 0.00 55.95 56.33 1ito s SER 129 Cb -0.10 -2.15 0.07 0.00 -1.71 0.00 0.00 66.02 62.13 1ito s SER 129 CO -0.02 -0.29 2.54 0.29 1.20 0.00 0.00 173.24 176.97 1ito n LYS 130 N 5.13 4.32 -3.74 5.44 5.02 -1.26 -4.84 118.16 128.23 1ito n LYS 130 Ca -0.12 -3.12 -0.13 0.00 -2.02 0.00 0.00 58.31 52.92 1ito n LYS 130 Cb 0.49 -2.65 -0.08 0.00 -0.02 0.00 0.00 35.03 32.77 1ito n LYS 130 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1ito s THR 131 N -0.39 0.07 0.39 -0.18 -4.23 -1.26 -4.73 115.64 105.31 1ito s THR 131 Ca 0.58 -0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1ito s THR 131 Cb 0.19 -0.83 -0.03 0.00 1.34 0.00 0.00 72.50 73.17 1ito s THR 131 CO -0.09 -0.30 0.62 0.00 -0.54 0.00 0.00 174.62 174.31 1ito s GLU 133 N -4.45 2.16 0.28 0.00 -1.05 0.41 -4.88 118.70 111.16 1ito s GLU 133 Ca 0.42 1.95 -0.30 0.00 -0.15 0.00 0.00 54.97 56.89 1ito s GLU 133 Cb -0.10 -1.81 -0.12 0.00 -0.44 0.00 0.00 34.13 31.66 1ito s GLU 133 CO 0.38 -1.87 1.55 -0.35 0.95 0.00 0.00 175.26 175.92 1ito n PRO 134 N -2.49 2.54 0.00 -4.83 -0.04 -1.26 -2.02 135.00 126.90 1ito n PRO 134 Ca 0.15 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.51 1ito n PRO 134 Cb 0.49 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 1ito n PRO 134 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ito n GLY 135 N 2.17 2.11 3.85 0.55 0.00 -1.26 -5.06 105.19 107.56 1ito n GLY 135 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1ito n GLY 135 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ito s TYR 136 N -2.46 3.40 -0.01 1.61 5.04 -0.85 -5.09 117.35 118.98 1ito s TYR 136 Ca 0.00 1.14 -0.05 0.00 -2.44 0.00 0.00 57.07 55.72 1ito s TYR 136 Cb 0.00 -2.47 0.00 0.00 0.35 0.00 0.00 41.96 39.84 1ito s TYR 136 CO 0.00 0.15 0.10 -1.12 -1.34 0.00 0.00 175.55 173.34 1ito s SER 137 N -2.26 0.02 0.04 4.32 0.01 -1.26 -4.78 113.70 109.78 1ito s SER 137 Ca 0.52 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1ito s SER 137 Cb -0.11 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1ito s SER 137 CO 0.18 -0.24 0.00 -0.81 0.41 0.00 0.00 173.24 172.78 1ito n PRO 138 N 2.01 1.03 -1.48 12.44 -0.04 -1.26 -5.01 135.00 142.70 1ito n PRO 138 Ca -0.19 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.96 1ito n PRO 138 Cb 0.57 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.09 1ito n PRO 138 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ito s SER 139 N -1.00 5.06 0.26 3.54 1.04 -1.26 -4.76 113.70 116.58 1ito s SER 139 Ca 0.00 1.65 -0.07 0.00 0.48 0.00 0.00 55.95 58.00 1ito s SER 139 Cb 0.00 -2.47 0.45 0.00 0.10 0.00 0.00 66.02 64.10 1ito s SER 139 CO 0.00 -1.65 1.60 0.22 0.98 0.00 0.00 173.24 174.39 1ito h TYR 140 N -0.86 -0.26 -0.73 5.02 3.20 -1.91 0.83 116.97 122.26 1ito h TYR 140 Ca -0.44 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.50 1ito h TYR 140 Cb 1.22 0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.70 1ito h TYR 140 CO 0.60 -0.33 0.44 -0.22 -1.64 0.00 0.00 178.16 177.01 1ito h LYS 141 N 0.03 0.99 0.00 1.82 3.64 -1.92 -2.87 116.57 118.27 1ito h LYS 141 Ca 0.44 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1ito h LYS 141 Cb 0.74 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1ito h LYS 141 CO -0.81 0.70 0.00 0.93 -2.27 0.00 0.00 179.45 178.00 1ito h GLU 142 N 1.00 0.00 -0.58 1.90 5.08 -1.22 -3.21 114.58 117.54 1ito h GLU 142 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1ito h GLU 142 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1ito h GLU 142 CO -0.05 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 174.49 1ito n ASP 143 N -2.67 3.15 -4.70 1.42 2.03 -0.62 -4.91 116.55 110.25 1ito n ASP 143 Ca 0.03 -2.04 -0.42 0.00 0.52 0.00 0.00 54.79 52.87 1ito n ASP 143 Cb 0.35 -0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 40.33 1ito n ASP 143 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1ito s LYS 144 N -1.30 4.39 -0.25 -0.67 -0.14 -1.21 -4.05 119.74 116.50 1ito s LYS 144 Ca 0.38 1.78 -0.07 0.00 -1.36 0.00 0.00 55.97 56.70 1ito s LYS 144 Cb 0.21 -3.43 -0.03 0.00 -1.68 0.00 0.00 37.83 32.90 1ito s LYS 144 CO 0.25 -0.35 0.07 -1.01 -0.76 0.00 0.00 175.35 173.56 1ito s HIS 145 N 1.52 3.09 0.03 3.18 3.76 0.20 -4.80 115.29 122.28 1ito s HIS 145 Ca 0.59 -0.46 -0.01 0.00 -0.15 0.00 0.00 55.06 55.03 1ito s HIS 145 Cb -0.29 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 31.12 1ito s HIS 145 CO 0.27 -0.38 0.20 -0.06 -0.85 0.00 0.00 174.74 173.92 1ito s PHE 146 N 1.61 3.53 0.17 1.40 0.40 -1.26 -0.47 117.98 123.36 1ito s PHE 146 Ca 0.06 0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.69 1ito s PHE 146 Cb -0.15 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 1ito s PHE 146 CO 0.04 0.61 0.34 0.20 0.70 0.00 0.00 175.22 177.11 1ito s GLY 147 N -2.27 1.80 0.00 4.36 0.00 -0.82 -2.55 107.32 107.84 1ito s GLY 147 Ca 0.32 -0.90 0.12 0.00 0.00 0.00 0.00 44.72 44.26 1ito s GLY 147 CO 0.24 -0.87 0.81 0.00 0.00 0.00 0.00 173.10 173.28 1ito s SER 149 N -1.21 -0.60 -0.09 0.00 1.04 -1.15 -4.96 113.70 106.74 1ito s SER 149 Ca 0.12 0.75 -0.03 0.00 0.48 0.00 0.00 55.95 57.28 1ito s SER 149 Cb 0.10 0.62 0.04 0.00 0.10 0.00 0.00 66.02 66.87 1ito s SER 149 CO 0.21 -0.49 0.05 -0.55 0.98 0.00 0.00 173.24 173.44 1ito s SER 150 N -0.92 1.62 0.25 7.02 0.15 -1.26 -2.58 113.70 117.98 1ito s SER 150 Ca -0.07 -0.17 0.02 0.00 0.70 0.00 0.00 55.95 56.43 1ito s SER 150 Cb -0.01 -0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 64.01 1ito s SER 150 CO 0.06 -0.26 0.18 -0.72 1.20 0.00 0.00 173.24 173.70 1ito s TYR 151 N 2.10 1.40 -0.14 3.44 -0.85 -0.54 -5.00 117.35 117.75 1ito s TYR 151 Ca 0.04 -1.46 0.02 0.00 -0.52 0.00 0.00 57.07 55.15 1ito s TYR 151 Cb -0.13 -0.65 0.00 0.00 0.38 0.00 0.00 41.96 41.56 1ito s TYR 151 CO -0.05 -0.69 -0.19 -1.12 -1.52 0.00 0.00 175.55 171.98 1ito s SER 152 N -3.25 3.34 0.09 -0.18 0.01 -1.26 -1.85 113.70 110.60 1ito s SER 152 Ca 0.39 -0.54 -0.25 0.00 1.31 0.00 0.00 55.95 56.86 1ito s SER 152 Cb 0.05 -1.49 -0.06 0.00 0.21 0.00 0.00 66.02 64.73 1ito s SER 152 CO 0.17 0.09 0.78 -0.69 0.41 0.00 0.00 173.24 174.00 1ito s VAL 153 N 0.77 4.59 0.66 3.43 1.01 0.11 -4.99 120.40 125.97 1ito s VAL 153 Ca -0.07 1.68 -0.17 0.00 0.00 0.00 0.00 61.98 63.41 1ito s VAL 153 Cb -0.16 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1ito s VAL 153 CO -0.00 0.42 1.22 0.00 0.00 0.00 0.00 175.10 176.73 1ito s ALA 154 N -0.45 2.34 -1.01 5.51 0.00 -1.26 -4.18 121.76 122.72 1ito s ALA 154 Ca 0.38 0.97 -0.22 0.00 0.00 0.00 0.00 51.96 53.09 1ito s ALA 154 Cb -0.22 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.32 1ito s ALA 154 CO 0.24 -1.53 1.92 -1.71 0.00 0.00 0.00 175.76 174.69 1ito n ASN 155 N -2.14 2.93 -3.52 0.00 2.85 -1.26 -4.63 115.26 109.49 1ito n ASN 155 Ca 0.14 -2.70 -0.11 0.00 -0.11 0.00 0.00 54.58 51.79 1ito n ASN 155 Cb 0.50 -1.47 -0.10 0.00 1.24 0.00 0.00 39.78 39.95 1ito n ASN 155 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1ito s ASN 156 N 5.69 0.28 0.18 1.20 3.84 -1.26 -5.02 114.94 119.85 1ito s ASN 156 Ca 0.63 0.46 -0.21 0.00 0.21 0.00 0.00 52.86 53.94 1ito s ASN 156 Cb 0.06 0.99 0.10 0.00 -0.55 0.00 0.00 41.25 41.85 1ito s ASN 156 CO 0.12 -0.27 1.60 -0.08 -2.79 0.00 0.00 177.10 175.68 1ito h GLU 157 N 8.22 -0.18 -0.82 0.43 4.81 -1.94 0.37 114.58 125.47 1ito h GLU 157 Ca -0.17 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1ito h GLU 157 Cb 1.13 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 1ito h GLU 157 CO 0.20 -0.12 0.49 0.87 -0.73 0.00 0.00 179.01 179.72 1ito h LYS 158 N -0.19 1.11 -0.41 1.92 6.56 -1.97 -0.75 116.57 122.84 1ito h LYS 158 Ca 0.21 -0.10 -0.12 0.00 -1.06 0.00 0.00 60.65 59.58 1ito h LYS 158 Cb 0.53 -0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 1ito h LYS 158 CO -0.61 0.78 -0.22 0.93 -2.06 0.00 0.00 179.45 178.27 1ito h GLU 159 N 1.12 0.82 -0.45 3.15 5.08 -1.68 -0.69 114.58 121.94 1ito h GLU 159 Ca 0.29 -0.34 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1ito h GLU 159 Cb -0.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1ito h GLU 159 CO -0.06 0.96 -0.11 0.82 -1.00 0.00 0.00 179.01 179.63 1ito h ILE 160 N 0.72 1.27 -0.41 3.13 2.04 -0.68 -0.46 117.51 123.12 1ito h ILE 160 Ca 0.10 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.71 1ito h ILE 160 Cb 0.75 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1ito h ILE 160 CO 0.06 0.42 0.16 0.24 0.00 0.00 0.00 178.15 179.03 1ito h MET 161 N 0.71 0.61 -0.61 2.37 2.86 -1.03 -2.32 114.93 117.51 1ito h MET 161 Ca 0.11 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1ito h MET 161 Cb 0.65 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1ito h MET 161 CO 0.04 0.58 0.34 0.00 1.06 0.00 0.00 176.91 178.93 1ito h ALA 162 N 1.00 0.78 -0.29 6.32 0.00 -0.94 -0.05 119.26 126.09 1ito h ALA 162 Ca 0.13 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ito h ALA 162 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1ito h ALA 162 CO -0.01 0.29 0.15 1.49 0.00 0.00 0.00 179.25 181.17 1ito h GLU 163 N 0.83 0.31 -0.52 0.00 4.57 -0.88 -1.55 114.58 117.34 1ito h GLU 163 Ca 0.22 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.31 1ito h GLU 163 Cb 0.03 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1ito h GLU 163 CO -0.04 0.20 0.06 0.82 -1.18 0.00 0.00 179.01 178.88 1ito h ILE 164 N 0.31 1.25 -0.64 2.32 2.04 -1.23 0.51 117.51 122.09 1ito h ILE 164 Ca 0.12 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 65.05 1ito h ILE 164 Cb 0.03 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1ito h ILE 164 CO -0.07 0.35 0.35 0.22 0.00 0.00 0.00 178.15 179.00 1ito h TYR 165 N 0.75 0.65 0.13 1.37 5.03 -0.71 -0.14 116.97 124.05 1ito h TYR 165 Ca 0.15 0.02 -0.36 0.00 2.58 0.00 0.00 58.73 61.13 1ito h TYR 165 Cb 0.43 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 1ito h TYR 165 CO 0.03 0.32 -1.92 -0.22 -1.32 0.00 0.00 178.16 175.05 1ito h LYS 166 N 0.66 0.27 -0.01 1.82 3.64 -1.22 -3.42 116.57 118.32 1ito h LYS 166 Ca 0.28 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1ito h LYS 166 Cb 0.16 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1ito h LYS 166 CO -0.17 1.19 -0.19 0.09 -2.27 0.00 0.00 179.45 178.09 1ito n ASN 167 N -3.47 1.12 0.00 4.20 5.03 0.16 -5.11 115.26 117.19 1ito n ASN 167 Ca -0.29 -1.06 0.00 0.00 0.87 0.00 0.00 54.58 54.10 1ito n ASN 167 Cb 1.05 0.49 0.00 0.00 -1.02 0.00 0.00 39.78 40.30 1ito n ASN 167 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ito n GLY 168 N 0.86 -3.24 3.55 7.41 0.00 -0.06 -4.79 105.19 108.91 1ito n GLY 168 Ca 0.04 -2.16 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 1ito n GLY 168 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ito n PRO 169 N -0.19 0.79 -4.49 1.61 -0.02 -1.26 -4.04 135.00 127.39 1ito n PRO 169 Ca 0.00 0.30 -0.23 0.00 -2.02 0.00 0.00 63.50 61.55 1ito n PRO 169 Cb 0.00 -1.95 -0.11 0.00 -0.02 0.00 0.00 33.50 31.42 1ito n PRO 169 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ito s VAL 170 N -1.56 1.53 0.01 -1.45 -7.23 -0.72 -4.85 120.40 106.13 1ito s VAL 170 Ca 0.71 -2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.83 1ito s VAL 170 Cb -0.45 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.67 1ito s VAL 170 CO 0.51 -0.07 0.19 -0.70 -0.31 0.00 0.00 175.10 174.73 1ito s GLU 171 N -3.80 3.44 0.25 4.82 2.12 -0.50 -1.01 118.70 124.02 1ito s GLU 171 Ca 0.35 -0.36 0.01 0.00 0.36 0.00 0.00 54.97 55.32 1ito s GLU 171 Cb 0.08 -3.08 -0.00 0.00 0.26 0.00 0.00 34.13 31.39 1ito s GLU 171 CO 0.16 0.65 0.31 0.41 -0.54 0.00 0.00 175.26 176.24 1ito n GLY 172 N 0.72 2.65 3.33 -1.50 0.00 0.48 -1.54 105.19 109.32 1ito n GLY 172 Ca -0.09 -1.63 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 1ito n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ito s ALA 173 N -2.59 -1.04 0.21 4.61 0.00 -1.25 0.16 121.76 121.84 1ito s ALA 173 Ca 0.23 0.43 -0.15 0.00 0.00 0.00 0.00 51.96 52.48 1ito s ALA 173 Cb -0.00 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.37 1ito s ALA 173 CO 0.16 -0.40 0.48 -0.59 0.00 0.00 0.00 175.76 175.41 1ito s PHE 174 N -2.05 0.13 -0.31 0.00 -0.71 -0.79 -3.97 117.98 110.28 1ito s PHE 174 Ca -0.08 -0.49 -0.23 0.00 -1.04 0.00 0.00 56.93 55.09 1ito s PHE 174 Cb -0.02 0.26 0.00 0.00 -1.21 0.00 0.00 43.02 42.06 1ito s PHE 174 CO 0.01 -0.93 0.78 -1.12 -1.34 0.00 0.00 175.22 172.62 1ito s SER 175 N -2.94 6.65 -0.02 1.98 0.01 -0.14 -0.60 113.70 118.64 1ito s SER 175 Ca 0.15 0.63 -0.25 0.00 1.31 0.00 0.00 55.95 57.80 1ito s SER 175 Cb -0.00 -2.40 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 1ito s SER 175 CO 0.02 -0.62 0.75 -0.69 0.41 0.00 0.00 173.24 173.11 1ito s VAL 176 N 2.96 4.91 0.20 3.43 1.01 0.14 -4.94 120.40 128.11 1ito s VAL 176 Ca 0.32 1.57 0.11 0.00 0.00 0.00 0.00 61.98 63.97 1ito s VAL 176 Cb -0.14 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1ito s VAL 176 CO 0.13 0.29 -0.18 -0.31 0.00 0.00 0.00 175.10 175.03 1ito s TYR 177 N 0.47 2.42 0.50 5.22 1.51 -1.26 0.13 117.35 126.34 1ito s TYR 177 Ca 0.39 -0.31 0.29 0.00 -1.01 0.00 0.00 57.07 56.43 1ito s TYR 177 Cb -0.19 -1.17 1.39 0.00 -0.11 0.00 0.00 41.96 41.88 1ito s TYR 177 CO 0.21 0.54 1.85 0.66 -1.11 0.00 0.00 175.55 177.69 1ito h SER 178 N 2.94 0.12 0.30 2.29 4.64 -1.35 -0.00 113.55 122.49 1ito h SER 178 Ca -0.46 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1ito h SER 178 Cb 1.21 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ito h SER 178 CO 0.52 0.03 0.00 -0.90 -0.87 0.00 0.00 176.83 175.61 1ito n ASP 179 N -4.33 0.00 -0.00 4.97 3.85 -1.23 -2.77 116.55 117.04 1ito n ASP 179 Ca 0.21 -0.28 -0.10 0.00 -0.71 0.00 0.00 54.79 53.91 1ito n ASP 179 Cb 0.97 -0.19 -0.14 0.00 -1.35 0.00 0.00 41.12 40.41 1ito n ASP 179 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 1ito h PHE 180 N 0.00 0.07 -0.80 2.11 3.04 -1.31 -3.36 116.94 116.70 1ito h PHE 180 Ca 0.00 -0.05 0.20 0.00 3.98 0.00 0.00 57.97 62.09 1ito h PHE 180 Cb 0.15 -0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.61 1ito h PHE 180 CO 0.00 1.09 0.55 -0.07 -2.02 0.00 0.00 178.31 177.86 1ito h LEU 181 N 0.01 0.22 -2.48 0.59 3.38 -1.61 -0.59 115.31 114.82 1ito h LEU 181 Ca -0.25 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1ito h LEU 181 Cb 1.98 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.71 1ito h LEU 181 CO 0.09 0.09 0.00 0.18 0.09 0.00 0.00 178.44 178.90 1ito n LEU 182 N -4.41 3.76 -4.69 1.67 4.32 -1.26 -4.90 117.00 111.48 1ito n LEU 182 Ca 0.16 -1.89 -0.42 0.00 -0.02 0.00 0.00 56.01 53.84 1ito n LEU 182 Cb 0.72 -0.50 -0.00 0.00 -1.62 0.00 0.00 43.42 42.02 1ito n LEU 182 CO 0.34 0.67 0.86 0.00 -1.22 0.00 0.00 177.39 178.05 1ito n TYR 183 N 0.88 2.13 0.00 -1.77 9.36 -0.23 -4.92 117.16 122.61 1ito n TYR 183 Ca 0.20 0.54 0.00 0.00 3.32 0.00 0.00 57.90 61.97 1ito n TYR 183 Cb 0.70 -2.39 0.00 0.00 -0.63 0.00 0.00 39.34 37.02 1ito n TYR 183 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1ito n LYS 184 N 0.39 0.00 -3.88 2.98 4.01 -1.26 -3.57 118.16 116.82 1ito n LYS 184 Ca 0.06 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.75 1ito n LYS 184 Cb 0.37 -0.31 0.00 0.00 -0.51 0.00 0.00 35.03 34.59 1ito n LYS 184 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1ito s SER 185 N -4.61 0.22 0.21 4.39 1.04 -1.26 -3.03 113.70 110.66 1ito s SER 185 Ca 0.00 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1ito s SER 185 Cb 0.00 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1ito s SER 185 CO 0.00 -1.57 0.00 0.61 0.98 0.00 0.00 173.24 173.26 1ito n GLY 186 N -0.53 -1.89 3.58 7.32 0.00 -1.26 -4.72 105.19 107.68 1ito n GLY 186 Ca -0.06 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 1ito n GLY 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ito s VAL 187 N -0.24 5.00 0.35 1.61 1.01 -1.26 -4.04 120.40 122.83 1ito s VAL 187 Ca 0.00 0.60 -0.28 0.00 0.00 0.00 0.00 61.98 62.30 1ito s VAL 187 Cb 0.00 -3.95 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 1ito s VAL 187 CO 0.00 -0.14 1.29 -0.47 0.00 0.00 0.00 175.10 175.78 1ito s TYR 188 N 2.45 3.04 -0.13 5.22 6.14 0.19 -4.81 117.35 129.44 1ito s TYR 188 Ca 0.21 1.44 -0.06 0.00 0.64 0.00 0.00 57.07 59.30 1ito s TYR 188 Cb -0.15 -3.64 0.06 0.00 0.42 0.00 0.00 41.96 38.64 1ito s TYR 188 CO 0.12 -1.80 0.30 -1.14 0.64 0.00 0.00 175.55 173.67 1ito s GLN 189 N -1.88 0.23 -0.08 4.97 0.74 -1.26 -2.26 119.66 120.11 1ito s GLN 189 Ca 0.50 0.70 -0.30 0.00 0.05 0.00 0.00 55.36 56.32 1ito s GLN 189 Cb -0.39 -0.03 -0.03 0.00 1.10 0.00 0.00 33.01 33.66 1ito s GLN 189 CO 0.51 -0.21 1.33 -1.58 -0.55 0.00 0.00 175.29 174.78 1ito s HIS 190 N 1.83 2.83 0.00 1.67 5.65 -1.26 -4.85 115.29 121.15 1ito s HIS 190 Ca -0.05 0.91 0.00 0.00 0.25 0.00 0.00 55.06 56.17 1ito s HIS 190 Cb -0.11 -3.57 0.00 0.00 -1.18 0.00 0.00 32.58 27.72 1ito s HIS 190 CO -0.10 -2.05 0.00 1.33 -0.65 0.00 0.00 174.74 173.27 1ito n VAL 191 N 5.02 0.00 -3.56 0.89 0.24 -1.26 -5.10 118.33 114.56 1ito n VAL 191 Ca 0.13 -0.06 -0.06 0.00 -2.04 0.00 0.00 64.34 62.31 1ito n VAL 191 Cb 0.45 0.50 -0.02 0.00 -1.47 0.00 0.00 33.84 33.29 1ito n VAL 191 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1ito s SER 192 N -1.53 -0.23 0.00 -1.34 0.15 -1.26 -5.17 113.70 104.32 1ito s SER 192 Ca 0.00 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1ito s SER 192 Cb 0.00 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1ito s SER 192 CO 0.00 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1ito n GLY 193 N -0.15 3.09 3.77 9.45 0.00 -1.26 -3.49 105.19 116.59 1ito n GLY 193 Ca -0.03 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 1ito n GLY 193 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ito s GLU 194 N -4.41 2.08 -0.00 1.61 -1.05 -1.26 -4.49 118.70 111.18 1ito s GLU 194 Ca 0.00 0.93 -0.26 0.00 -0.15 0.00 0.00 54.97 55.49 1ito s GLU 194 Cb 0.00 -1.89 -0.04 0.00 -0.44 0.00 0.00 34.13 31.75 1ito s GLU 194 CO 0.00 -1.70 0.80 -1.50 0.95 0.00 0.00 175.26 173.81 1ito s ILE 195 N -2.99 4.86 -0.11 1.83 2.07 -1.26 -1.12 121.20 124.48 1ito s ILE 195 Ca 0.61 1.68 0.16 0.00 -1.41 0.00 0.00 60.65 61.69 1ito s ILE 195 Cb -0.16 -4.14 -0.19 0.00 0.13 0.00 0.00 42.46 38.09 1ito s ILE 195 CO 0.56 0.28 0.64 0.23 -1.91 0.00 0.00 174.94 174.74 1ito n MET 196 N 3.39 0.64 0.00 3.50 2.81 0.12 -4.94 117.12 122.64 1ito n MET 196 Ca 0.00 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1ito n MET 196 Cb 0.51 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 1ito n MET 196 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ito n GLY 197 N 1.49 1.13 3.80 3.03 0.00 -1.18 -4.99 105.19 108.47 1ito n GLY 197 Ca -0.15 -1.99 -0.35 0.00 0.00 0.00 0.00 46.02 43.53 1ito n GLY 197 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ito s GLY 198 N 0.00 2.57 -0.11 -0.02 0.00 -1.26 -0.68 107.32 107.82 1ito s GLY 198 Ca 0.00 0.47 -0.04 0.00 0.00 0.00 0.00 44.72 45.15 1ito s GLY 198 CO 0.00 0.82 0.14 -1.58 0.00 0.00 0.00 173.10 172.49 1ito s HIS 199 N -1.93 -0.10 0.24 1.90 5.04 0.23 -4.88 115.29 115.80 1ito s HIS 199 Ca 0.57 0.34 -0.30 0.00 -1.54 0.00 0.00 55.06 54.13 1ito s HIS 199 Cb -0.14 -0.38 -0.09 0.00 0.04 0.00 0.00 32.58 32.01 1ito s HIS 199 CO 0.18 -0.36 1.01 0.00 -2.34 0.00 0.00 174.74 173.23 1ito s ALA 200 N 2.25 3.36 0.18 1.58 0.00 -1.26 -1.89 121.76 125.98 1ito s ALA 200 Ca 0.04 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1ito s ALA 200 Cb -0.13 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 1ito s ALA 200 CO -0.07 0.04 0.19 0.44 0.00 0.00 0.00 175.76 176.36 1ito n ILE 201 N 1.55 0.00 -4.09 0.00 -6.64 0.12 -4.63 119.36 105.67 1ito n ILE 201 Ca -0.01 -1.18 -0.32 0.00 -1.77 0.00 0.00 62.75 59.46 1ito n ILE 201 Cb 0.46 0.63 -0.16 0.00 -1.44 0.00 0.00 39.64 39.13 1ito n ILE 201 CO 0.00 0.00 0.00 -0.60 -1.77 0.00 0.00 176.55 174.18 1ito s ARG 202 N -2.62 2.77 -0.28 6.28 3.52 -1.14 -0.39 118.95 127.09 1ito s ARG 202 Ca 0.19 -0.80 -0.12 0.00 -0.13 0.00 0.00 55.73 54.87 1ito s ARG 202 Cb 0.00 -2.48 -0.05 0.00 -1.56 0.00 0.00 34.95 30.86 1ito s ARG 202 CO 0.14 -0.24 0.23 0.42 -0.81 0.00 0.00 175.30 175.03 1ito s ILE 203 N 1.33 5.28 -0.17 4.11 1.01 -0.18 -0.34 121.20 132.23 1ito s ILE 203 Ca 0.04 0.25 0.08 0.00 0.00 0.00 0.00 60.65 61.03 1ito s ILE 203 Cb -0.13 -3.56 0.17 0.00 0.01 0.00 0.00 42.46 38.94 1ito s ILE 203 CO -0.12 0.23 1.11 0.00 0.00 0.00 0.00 174.94 176.17 1ito n LEU 204 N 5.11 2.38 0.00 2.97 -0.00 -0.52 -1.76 117.00 125.18 1ito n LEU 204 Ca -0.13 -2.41 0.00 0.00 -0.00 0.00 0.00 56.01 53.47 1ito n LEU 204 Cb 0.52 -0.20 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 1ito n LEU 204 CO 0.34 0.61 0.00 0.61 -0.00 0.00 0.00 177.39 178.95 1ito n GLY 205 N -0.65 -1.80 3.71 1.47 0.00 -1.21 -1.37 105.19 105.34 1ito n GLY 205 Ca 0.08 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 1ito n GLY 205 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ito s TRP 206 N -2.66 0.19 0.00 1.61 -2.14 -0.36 0.73 118.94 116.31 1ito s TRP 206 Ca 0.00 -0.62 0.00 0.00 2.66 0.00 0.00 56.10 58.14 1ito s TRP 206 Cb 0.00 0.45 0.00 0.00 -3.10 0.00 0.00 33.47 30.82 1ito s TRP 206 CO 0.00 -1.18 0.00 0.41 -2.66 0.00 0.00 176.95 173.52 1ito n GLY 207 N -0.45 0.63 2.86 3.67 0.00 -0.80 -0.90 105.19 110.20 1ito n GLY 207 Ca -0.03 -0.75 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 1ito n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ito s VAL 208 N -2.08 0.28 -0.28 1.61 1.01 -1.26 -0.68 120.40 119.00 1ito s VAL 208 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1ito s VAL 208 Cb 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 36.38 36.13 1ito s VAL 208 CO 0.00 0.15 0.04 -0.70 0.00 0.00 0.00 175.10 174.59 1ito s GLU 209 N 0.79 1.08 -1.06 2.72 2.12 0.68 -4.78 118.70 120.25 1ito s GLU 209 Ca -0.09 -1.10 -0.01 0.00 0.36 0.00 0.00 54.97 54.13 1ito s GLU 209 Cb -0.12 -2.37 -0.01 0.00 0.26 0.00 0.00 34.13 31.89 1ito s GLU 209 CO -0.01 -0.83 0.89 0.09 -0.54 0.00 0.00 175.26 174.86 1ito n ASN 210 N 4.72 -2.93 0.00 -1.70 4.13 -1.26 -2.11 115.26 116.11 1ito n ASN 210 Ca -0.05 -0.58 0.00 0.00 1.68 0.00 0.00 54.58 55.63 1ito n ASN 210 Cb 0.43 -4.72 0.00 0.00 -1.54 0.00 0.00 39.78 33.95 1ito n ASN 210 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ito n GLY 211 N -1.15 2.01 3.54 7.41 0.00 -1.26 -4.96 105.19 110.79 1ito n GLY 211 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1ito n GLY 211 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ito s THR 212 N -2.31 4.90 0.39 2.61 2.01 -0.90 -5.05 115.64 117.29 1ito s THR 212 Ca 0.00 0.31 -0.24 0.00 0.31 0.00 0.00 61.69 62.07 1ito s THR 212 Cb 0.00 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 68.32 1ito s THR 212 CO 0.00 -0.41 1.06 -2.16 -0.69 0.00 0.00 174.62 172.42 1ito s PRO 213 N 2.66 4.19 0.27 4.92 0.04 -1.26 -0.23 135.00 145.59 1ito s PRO 213 Ca 0.22 1.55 -0.07 0.00 0.04 0.00 0.00 61.00 62.74 1ito s PRO 213 Cb -0.15 -2.60 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 1ito s PRO 213 CO 0.16 -0.13 0.41 1.52 0.04 0.00 0.00 177.00 179.00 1ito s TYR 214 N -1.60 0.75 -0.07 0.56 -0.85 0.14 -1.44 117.35 114.84 1ito s TYR 214 Ca 0.57 -1.04 0.01 0.00 -0.52 0.00 0.00 57.07 56.09 1ito s TYR 214 Cb -0.23 -0.05 -0.03 0.00 0.38 0.00 0.00 41.96 42.03 1ito s TYR 214 CO 0.29 -0.97 -0.08 -1.58 -1.52 0.00 0.00 175.55 171.69 1ito s TRP 215 N -3.73 2.90 -0.36 -3.49 0.52 0.30 -1.90 118.94 113.17 1ito s TRP 215 Ca 0.28 -0.05 -0.21 0.00 0.02 0.00 0.00 56.10 56.14 1ito s TRP 215 Cb 0.01 -1.72 0.00 0.00 -1.15 0.00 0.00 33.47 30.62 1ito s TRP 215 CO 0.13 0.27 0.66 -1.17 0.02 0.00 0.00 176.95 176.86 1ito s LEU 216 N -0.68 4.24 0.07 2.99 2.96 0.22 -2.46 118.68 126.03 1ito s LEU 216 Ca 0.10 0.16 0.09 0.00 -0.22 0.00 0.00 54.13 54.27 1ito s LEU 216 Cb -0.11 -2.82 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 1ito s LEU 216 CO 0.02 -0.62 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.50 1ito s VAL 217 N 2.77 2.45 -0.17 1.68 1.01 -0.42 -1.44 120.40 126.28 1ito s VAL 217 Ca 0.25 -1.42 -0.04 0.00 0.00 0.00 0.00 61.98 60.77 1ito s VAL 217 Cb -0.14 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1ito s VAL 217 CO 0.15 0.26 -0.04 -0.83 0.00 0.00 0.00 175.10 174.65 1ito s GLY 218 N -1.59 1.68 0.44 4.51 0.00 0.53 -1.51 107.32 111.38 1ito s GLY 218 Ca 0.14 -0.93 0.06 0.00 0.00 0.00 0.00 44.72 43.99 1ito s GLY 218 CO 0.05 0.07 0.61 0.21 0.00 0.00 0.00 173.10 174.04 1ito s ASN 219 N 0.70 5.60 -0.40 1.64 3.84 -0.60 -2.89 114.94 122.84 1ito s ASN 219 Ca -0.02 -0.30 0.05 0.00 0.21 0.00 0.00 52.86 52.79 1ito s ASN 219 Cb -0.15 -0.76 0.45 0.00 -0.55 0.00 0.00 41.25 40.24 1ito s ASN 219 CO 0.02 -0.82 1.38 -1.54 -2.79 0.00 0.00 177.10 173.35 1ito n SER 220 N -1.95 5.54 -0.87 -4.21 3.41 -1.26 -4.29 113.62 109.99 1ito n SER 220 Ca 0.07 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.93 1ito n SER 220 Cb 0.59 -0.50 0.17 0.00 -0.26 0.00 0.00 64.21 64.21 1ito n SER 220 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1ito n TRP 221 N -0.72 0.52 -0.41 7.33 8.01 -1.20 -1.14 117.44 129.83 1ito n TRP 221 Ca 0.48 -1.64 0.05 0.00 -1.31 0.00 0.00 57.50 55.08 1ito n TRP 221 Cb 0.85 -0.27 -0.02 0.00 -2.01 0.00 0.00 31.31 29.87 1ito n TRP 221 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 1ito n ASN 222 N -1.04 -2.45 0.08 -0.99 2.85 -0.59 -4.33 115.26 108.79 1ito n ASN 222 Ca 0.24 0.21 0.12 0.00 -0.11 0.00 0.00 54.58 55.04 1ito n ASN 222 Cb 0.75 -1.27 0.22 0.00 1.24 0.00 0.00 39.78 40.71 1ito n ASN 222 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1ito h THR 223 N -0.39 0.00 -0.12 -0.44 1.35 -1.86 -3.32 112.91 108.14 1ito h THR 223 Ca -0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1ito h THR 223 Cb 0.38 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1ito h THR 223 CO 0.01 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.38 1ito n ASP 224 N -2.25 1.18 -4.79 5.36 5.75 -1.26 -3.11 116.55 117.44 1ito n ASP 224 Ca 0.04 -1.64 -0.32 0.00 -0.01 0.00 0.00 54.79 52.85 1ito n ASP 224 Cb 0.45 -0.08 -0.07 0.00 -1.03 0.00 0.00 41.12 40.39 1ito n ASP 224 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1ito s TRP 225 N -1.84 3.28 0.00 2.11 -0.00 -1.25 -4.96 118.94 116.28 1ito s TRP 225 Ca 0.30 0.19 0.00 0.00 -0.00 0.00 0.00 56.10 56.59 1ito s TRP 225 Cb 0.16 -1.72 0.00 0.00 -0.00 0.00 0.00 33.47 31.91 1ito s TRP 225 CO 0.24 0.55 0.00 0.41 -0.00 0.00 0.00 176.95 178.15 1ito n GLY 226 N 1.03 1.71 3.43 5.86 0.00 -1.23 -0.63 105.19 115.34 1ito n GLY 226 Ca -0.12 -0.49 -0.44 0.00 0.00 0.00 0.00 46.02 44.97 1ito n GLY 226 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ito s ASP 227 N -4.00 7.10 -1.63 1.61 2.15 -0.31 -4.43 116.67 117.15 1ito s ASP 227 Ca 0.00 -3.08 -0.01 0.00 0.43 0.00 0.00 52.55 49.90 1ito s ASP 227 Cb 0.00 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 1ito s ASP 227 CO 0.00 -0.64 0.09 0.59 -0.17 0.00 0.00 175.17 175.04 1ito n ASN 228 N 4.87 -5.64 0.00 -0.34 5.03 -1.24 -1.64 115.26 116.29 1ito n ASN 228 Ca 0.32 -0.06 0.00 0.00 0.87 0.00 0.00 54.58 55.71 1ito n ASN 228 Cb 0.42 -4.64 0.00 0.00 -1.02 0.00 0.00 39.78 34.54 1ito n ASN 228 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ito n GLY 229 N -1.09 1.90 3.89 7.41 0.00 0.19 -4.63 105.19 112.86 1ito n GLY 229 Ca -0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 1ito n GLY 229 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ito s PHE 230 N -2.42 2.89 0.17 1.61 0.40 -0.65 -1.56 117.98 118.41 1ito s PHE 230 Ca 0.00 -0.34 -0.15 0.00 -0.60 0.00 0.00 56.93 55.84 1ito s PHE 230 Cb 0.00 -1.96 0.02 0.00 0.51 0.00 0.00 43.02 41.59 1ito s PHE 230 CO 0.00 0.03 0.43 -0.59 0.70 0.00 0.00 175.22 175.79 1ito s PHE 231 N -2.32 -0.04 -0.04 0.36 -0.71 -0.57 -1.16 117.98 113.50 1ito s PHE 231 Ca 0.44 -0.31 0.07 0.00 -1.04 0.00 0.00 56.93 56.10 1ito s PHE 231 Cb -0.06 0.25 -0.01 0.00 -1.21 0.00 0.00 43.02 41.99 1ito s PHE 231 CO 0.28 -0.80 -0.25 0.15 -1.34 0.00 0.00 175.22 173.25 1ito s LYS 232 N -3.87 2.37 0.03 1.99 1.02 -1.26 -1.30 119.74 118.71 1ito s LYS 232 Ca 0.09 -0.91 0.03 0.00 0.02 0.00 0.00 55.97 55.19 1ito s LYS 232 Cb 0.01 -2.12 -0.02 0.00 -0.52 0.00 0.00 37.83 35.19 1ito s LYS 232 CO -0.05 0.46 -0.09 -1.50 -0.92 0.00 0.00 175.35 173.24 1ito s ILE 233 N -0.36 0.73 0.11 2.17 2.07 -1.03 0.53 121.20 125.42 1ito s ILE 233 Ca 0.02 -0.78 -0.36 0.00 -1.41 0.00 0.00 60.65 58.13 1ito s ILE 233 Cb -0.12 -0.69 -0.17 0.00 0.13 0.00 0.00 42.46 41.62 1ito s ILE 233 CO 0.02 -0.07 1.25 -0.11 -1.91 0.00 0.00 174.94 174.11 1ito n LEU 234 N 2.11 1.40 -4.55 8.50 7.94 -0.96 -0.54 117.00 130.90 1ito n LEU 234 Ca -0.18 1.13 -0.30 0.00 -1.11 0.00 0.00 56.01 55.55 1ito n LEU 234 Cb 0.56 -1.17 -0.11 0.00 0.53 0.00 0.00 43.42 43.23 1ito n LEU 234 CO 0.23 -1.24 -0.44 -0.60 -1.11 0.00 0.00 177.39 174.23 1ito s ARG 235 N 0.16 2.10 0.00 1.96 3.52 -0.52 -4.51 118.95 121.65 1ito s ARG 235 Ca 0.81 -1.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.40 1ito s ARG 235 Cb -0.95 -2.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 1ito s ARG 235 CO 0.50 0.52 0.00 0.41 -0.81 0.00 0.00 175.30 175.91 1ito n GLY 236 N 0.93 0.71 0.39 8.12 0.00 -1.26 -4.71 105.19 109.37 1ito n GLY 236 Ca -0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.90 1ito n GLY 236 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ito n GLN 237 N -2.09 0.29 -3.81 1.61 6.02 -1.26 -4.96 117.38 113.18 1ito n GLN 237 Ca 0.00 -1.32 -0.29 0.00 -0.01 0.00 0.00 57.00 55.38 1ito n GLN 237 Cb 0.00 -0.71 -0.02 0.00 1.02 0.00 0.00 30.24 30.53 1ito n GLN 237 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1ito n ASP 238 N -0.30 -3.12 -4.53 1.08 2.03 -1.26 -4.71 116.55 105.74 1ito n ASP 238 Ca 0.03 -0.69 -0.49 0.00 0.52 0.00 0.00 54.79 54.16 1ito n ASP 238 Cb 0.68 -2.59 -0.06 0.00 -0.72 0.00 0.00 41.12 38.43 1ito n ASP 238 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1ito n HIS 239 N -4.03 1.82 -3.25 -0.67 -0.00 -1.26 -0.43 115.22 107.40 1ito n HIS 239 Ca 0.04 0.15 -0.23 0.00 -0.00 0.00 0.00 57.72 57.68 1ito n HIS 239 Cb 0.50 -2.59 0.03 0.00 -0.00 0.00 0.00 29.99 27.93 1ito n HIS 239 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ito n GLY 241 N -1.48 0.42 0.37 0.00 0.00 0.42 -0.97 105.19 103.96 1ito n GLY 241 Ca -0.06 -0.11 0.20 0.00 0.00 0.00 0.00 46.02 46.05 1ito n GLY 241 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ito h ILE 242 N 0.00 0.61 -0.08 -0.61 6.09 -1.61 -1.85 117.51 120.06 1ito h ILE 242 Ca -0.03 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.46 1ito h ILE 242 Cb 0.40 0.74 0.00 0.00 0.47 0.00 0.00 36.82 38.43 1ito h ILE 242 CO 0.04 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 174.50 1ito n GLU 243 N -4.13 2.01 0.00 2.19 1.02 -1.26 -4.56 120.64 115.91 1ito n GLU 243 Ca 0.08 -1.83 0.12 0.00 -0.02 0.00 0.00 57.16 55.51 1ito n GLU 243 Cb 0.55 -1.42 0.33 0.00 -0.02 0.00 0.00 31.44 30.89 1ito n GLU 243 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ito n SER 244 N 1.21 0.45 -3.02 1.62 3.41 -0.69 -4.06 113.62 112.54 1ito n SER 244 Ca 0.13 -0.17 -0.15 0.00 -0.26 0.00 0.00 58.87 58.42 1ito n SER 244 Cb 0.54 0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 64.58 1ito n SER 244 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1ito n GLU 245 N -1.43 1.02 -3.01 4.33 2.13 -1.26 -4.88 120.64 117.54 1ito n GLU 245 Ca 0.06 -3.30 -0.41 0.00 0.66 0.00 0.00 57.16 54.18 1ito n GLU 245 Cb 0.33 -1.54 -0.05 0.00 0.27 0.00 0.00 31.44 30.45 1ito n GLU 245 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1ito s ILE 246 N -2.57 4.92 0.07 6.31 -1.09 -1.26 -3.97 121.20 123.62 1ito s ILE 246 Ca 0.36 1.34 0.06 0.00 -2.23 0.00 0.00 60.65 60.18 1ito s ILE 246 Cb 0.38 -4.02 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 1ito s ILE 246 CO -0.04 -0.01 -0.16 0.68 -1.23 0.00 0.00 174.94 174.18 1ito s VAL 247 N 2.57 1.32 0.00 2.92 -7.23 -0.59 0.05 120.40 119.44 1ito s VAL 247 Ca 0.31 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 1ito s VAL 247 Cb -0.15 -1.22 0.00 0.00 0.56 0.00 0.00 36.38 35.57 1ito s VAL 247 CO 0.08 -0.10 0.00 0.00 -0.31 0.00 0.00 175.10 174.77 1ito n ALA 248 N 1.39 0.00 0.00 1.32 0.00 -0.77 -1.41 120.51 121.04 1ito n ALA 248 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1ito n ALA 248 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1ito n ALA 248 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ito n GLY 249 N 0.00 0.04 3.38 0.00 0.00 -1.26 -1.47 105.19 105.88 1ito n GLY 249 Ca 0.00 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 1ito n GLY 249 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ito s MET 250 N -2.00 1.99 0.46 1.61 -1.94 -1.07 -4.99 119.30 113.36 1ito s MET 250 Ca 0.00 -1.01 -0.19 0.00 -1.71 0.00 0.00 55.69 52.78 1ito s MET 250 Cb 0.00 -2.08 -0.10 0.00 2.01 0.00 0.00 34.83 34.66 1ito s MET 250 CO 0.00 0.54 0.95 -1.25 -0.01 0.00 0.00 175.02 175.25 1ito s PRO 251 N -1.15 4.10 -0.35 2.03 0.04 -1.26 -0.27 135.00 138.15 1ito s PRO 251 Ca 0.12 1.03 -0.27 0.00 0.04 0.00 0.00 61.00 61.91 1ito s PRO 251 Cb -0.10 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1ito s PRO 251 CO 0.02 -0.12 2.14 0.00 0.04 0.00 0.00 177.00 179.08