#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kip s VAL 1 N 0.00 4.47 0.00 4.08 1.01 -0.31 -4.67 120.40 124.98 3kip s VAL 1 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.49 3kip s VAL 1 Cb 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3kip s VAL 1 CO 0.00 0.39 0.00 0.29 0.00 0.00 0.00 175.10 175.78 3kip n LYS 2 N 1.23 2.02 -3.75 2.72 4.76 -1.26 -4.74 118.16 119.15 3kip n LYS 2 Ca -0.05 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.02 3kip n LYS 2 Cb 0.50 -0.85 -0.12 0.00 -1.84 0.00 0.00 35.03 32.71 3kip n LYS 2 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3kip s LYS 3 N -1.70 3.15 -0.02 1.97 2.20 -1.26 -1.48 119.74 122.60 3kip s LYS 3 Ca 0.00 -0.82 0.08 0.00 -0.36 0.00 0.00 55.97 54.87 3kip s LYS 3 Cb 0.00 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.92 3kip s LYS 3 CO 0.00 -0.42 -0.25 0.08 -0.36 0.00 0.00 175.35 174.40 3kip s VAL 4 N 1.52 2.13 -0.21 4.02 1.01 -0.54 -0.37 120.40 127.95 3kip s VAL 4 Ca 0.03 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 3kip s VAL 4 Cb -0.17 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 3kip s VAL 4 CO 0.03 0.58 -0.06 -0.22 0.00 0.00 0.00 175.10 175.42 3kip s LEU 5 N -0.63 2.82 -0.21 3.92 2.96 0.43 -1.23 118.68 126.73 3kip s LEU 5 Ca 0.10 -0.41 -0.24 0.00 -0.22 0.00 0.00 54.13 53.36 3kip s LEU 5 Cb -0.10 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 3kip s LEU 5 CO -0.01 -0.01 0.77 -0.22 -1.32 0.00 0.00 176.35 175.56 3kip s LEU 6 N 1.42 4.12 -0.11 -0.68 2.96 0.46 -0.98 118.68 125.87 3kip s LEU 6 Ca 0.05 1.01 0.03 0.00 -0.22 0.00 0.00 54.13 55.00 3kip s LEU 6 Cb -0.14 -3.11 -0.00 0.00 0.50 0.00 0.00 46.19 43.43 3kip s LEU 6 CO -0.04 -0.42 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.73 3kip s ILE 7 N 2.40 2.26 -0.06 6.68 1.01 -0.09 -1.12 121.20 132.27 3kip s ILE 7 Ca 0.34 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 60.09 3kip s ILE 7 Cb -0.16 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 3kip s ILE 7 CO 0.10 0.55 -0.21 0.20 0.00 0.00 0.00 174.94 175.58 3kip s ASN 8 N 0.38 3.42 0.00 3.58 -0.87 0.18 -1.36 114.94 120.27 3kip s ASN 8 Ca -0.16 -0.41 0.00 0.00 -1.57 0.00 0.00 52.86 50.72 3kip s ASN 8 Cb -0.17 -0.92 0.00 0.00 -0.02 0.00 0.00 41.25 40.13 3kip s ASN 8 CO 0.07 0.26 0.00 0.61 -2.57 0.00 0.00 177.10 175.48 3kip n GLY 9 N 2.86 1.87 3.68 0.66 0.00 0.15 -2.85 105.19 111.55 3kip n GLY 9 Ca -0.17 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 3kip n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kip n PRO 10 N 0.00 1.99 0.00 1.61 -0.04 -1.12 -2.51 135.00 134.93 3kip n PRO 10 Ca 0.00 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 3kip n PRO 10 Cb 0.00 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 3kip n PRO 10 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kip n ASN 11 N 0.88 0.00 -0.33 3.54 3.02 -1.26 -4.49 115.26 116.61 3kip n ASN 11 Ca 0.06 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.75 3kip n ASN 11 Cb 0.35 0.00 0.34 0.00 -0.61 0.00 0.00 39.78 39.86 3kip n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3kip h LEU 12 N 0.00 0.62 -1.04 3.41 3.38 -1.85 -0.93 115.31 118.89 3kip h LEU 12 Ca 0.00 0.12 0.22 0.00 0.09 0.00 0.00 57.88 58.32 3kip h LEU 12 Cb 0.00 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3kip h LEU 12 CO 0.00 0.14 1.06 -0.55 0.09 0.00 0.00 178.44 179.18 3kip h ASN 13 N 0.60 0.00 0.83 -0.43 -1.07 -1.88 -1.12 115.58 112.51 3kip h ASN 13 Ca 0.59 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.96 3kip h ASN 13 Cb 1.04 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.29 3kip h ASN 13 CO -0.45 0.00 -0.13 0.18 0.07 0.00 0.00 177.43 177.10 3kip n LEU 14 N -3.18 0.15 -4.72 6.14 4.77 -0.35 -4.65 117.00 115.15 3kip n LEU 14 Ca 0.17 0.34 -0.41 0.00 -0.03 0.00 0.00 56.01 56.08 3kip n LEU 14 Cb 1.30 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 41.94 3kip n LEU 14 CO 0.20 0.04 0.73 -1.48 -1.33 0.00 0.00 177.39 175.54 3kip s LEU 15 N -2.96 4.44 -0.34 2.23 2.34 -0.42 -0.54 118.68 123.42 3kip s LEU 15 Ca 0.14 1.84 0.01 0.00 0.06 0.00 0.00 54.13 56.18 3kip s LEU 15 Cb 0.19 -3.58 0.11 0.00 -0.56 0.00 0.00 46.19 42.34 3kip s LEU 15 CO 0.57 -0.22 0.12 -0.83 -1.06 0.00 0.00 176.35 174.93 3kip s GLY 16 N 0.47 1.36 0.02 -3.48 0.00 -1.09 -2.68 107.32 101.91 3kip s GLY 16 Ca 0.51 -2.02 0.22 0.00 0.00 0.00 0.00 44.72 43.43 3kip s GLY 16 CO 0.30 1.48 0.88 2.41 0.00 0.00 0.00 173.10 178.16 3kip n THR 17 N 4.48 0.09 -0.05 0.90 -1.04 0.30 -4.75 114.28 114.21 3kip n THR 17 Ca 0.01 -0.23 -0.02 0.00 -2.04 0.00 0.00 64.05 61.77 3kip n THR 17 Cb 0.40 0.38 -0.01 0.00 -1.82 0.00 0.00 70.33 69.29 3kip n THR 17 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3kip h ARG 18 N 0.00 0.00 0.00 -2.82 2.43 -1.98 -3.54 114.38 108.47 3kip h ARG 18 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kip h ARG 18 Cb 0.72 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3kip h ARG 18 CO 0.00 0.00 0.00 0.98 -1.51 0.00 0.00 179.97 179.44 3kip n TYR 23 N -4.18 0.00 -4.10 2.20 9.36 -1.26 -5.15 117.16 114.03 3kip n TYR 23 Ca -0.03 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 60.89 3kip n TYR 23 Cb 0.10 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.74 3kip n TYR 23 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3kip s GLY 24 N -0.12 1.97 0.00 2.98 0.00 -1.26 -4.97 107.32 105.92 3kip s GLY 24 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.69 3kip s GLY 24 CO 0.00 -0.99 0.12 -1.30 0.00 0.00 0.00 173.10 170.93 3kip n THR 25 N 0.65 0.00 -1.72 0.90 -2.24 -1.26 -4.57 114.28 106.04 3kip n THR 25 Ca -0.10 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 3kip n THR 25 Cb 0.52 -0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 3kip n THR 25 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kip s THR 26 N -1.83 3.01 0.51 4.28 2.01 -1.26 -4.54 115.64 117.82 3kip s THR 26 Ca 0.00 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.17 3kip s THR 26 Cb 0.00 -3.07 0.05 0.00 0.01 0.00 0.00 72.50 69.48 3kip s THR 26 CO 0.00 -0.01 0.71 -0.94 -0.69 0.00 0.00 174.62 173.69 3kip s SER 27 N 4.05 5.31 0.12 3.53 1.04 -1.26 -2.66 113.70 123.84 3kip s SER 27 Ca 0.86 -0.44 -0.13 0.00 0.48 0.00 0.00 55.95 56.72 3kip s SER 27 Cb -0.42 -0.40 -0.05 0.00 0.10 0.00 0.00 66.02 65.25 3kip s SER 27 CO 0.39 -1.09 1.47 0.25 0.98 0.00 0.00 173.24 175.25 3kip h LEU 28 N 0.29 0.86 -1.89 2.42 5.85 -1.76 -2.31 115.31 118.78 3kip h LEU 28 Ca -0.38 -0.44 0.12 0.00 0.84 0.00 0.00 57.88 58.02 3kip h LEU 28 Cb 1.28 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3kip h LEU 28 CO 0.45 1.12 0.33 -1.28 -0.34 0.00 0.00 178.44 178.72 3kip h SER 29 N 0.61 0.11 -0.03 1.25 0.87 -1.92 -1.38 113.55 113.06 3kip h SER 29 Ca 0.07 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.49 3kip h SER 29 Cb 0.83 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 3kip h SER 29 CO 0.07 0.06 -0.44 0.44 -0.53 0.00 0.00 176.83 176.43 3kip h ASP 30 N 0.12 0.61 0.06 6.23 3.32 -1.80 -2.51 116.42 122.45 3kip h ASP 30 Ca 0.22 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 3kip h ASP 30 Cb 0.73 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3kip h ASP 30 CO -0.03 0.97 -0.03 0.40 -1.72 0.00 0.00 179.24 178.83 3kip h ILE 31 N 0.46 1.21 -0.36 0.35 2.04 -1.11 -1.20 117.51 118.90 3kip h ILE 31 Ca 0.03 -1.01 0.07 0.00 1.00 0.00 0.00 64.86 64.95 3kip h ILE 31 Cb 0.96 1.86 -0.07 0.00 -0.74 0.00 0.00 36.82 38.83 3kip h ILE 31 CO 0.09 0.25 -0.07 -0.33 0.00 0.00 0.00 178.15 178.09 3kip h GLU 32 N -0.55 0.02 -0.55 2.37 5.08 -1.55 -2.30 114.58 117.11 3kip h GLU 32 Ca -0.01 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3kip h GLU 32 Cb 0.47 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 3kip h GLU 32 CO 0.01 0.01 0.34 1.96 -1.00 0.00 0.00 179.01 180.34 3kip h GLN 33 N 0.02 0.66 -0.18 2.33 1.08 -1.19 -1.84 115.11 116.00 3kip h GLN 33 Ca 0.17 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.37 3kip h GLN 33 Cb 0.26 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 3kip h GLN 33 CO -0.35 0.43 -0.02 0.00 -0.95 0.00 0.00 178.83 177.94 3kip h ALA 34 N 1.23 0.13 0.70 3.87 0.00 -1.02 -1.98 119.26 122.19 3kip h ALA 34 Ca 0.21 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3kip h ALA 34 Cb -0.01 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kip h ALA 34 CO -0.08 -0.46 -0.42 0.00 0.00 0.00 0.00 179.25 178.29 3kip h ALA 35 N 1.16 -1.23 -0.88 0.00 0.00 -1.11 -0.80 119.26 116.40 3kip h ALA 35 Ca 0.08 -0.22 0.35 0.00 0.00 0.00 0.00 54.91 55.13 3kip h ALA 35 Cb 0.12 0.53 -0.16 0.00 0.00 0.00 0.00 17.79 18.27 3kip h ALA 35 CO -0.16 -1.19 0.40 -0.89 0.00 0.00 0.00 179.25 177.41 3kip n ILE 36 N -5.07 -0.37 0.26 0.00 5.41 -0.72 -0.34 119.36 118.53 3kip n ILE 36 Ca -0.13 1.82 0.12 0.00 1.00 0.00 0.00 62.75 65.56 3kip n ILE 36 Cb 0.43 -2.91 0.10 0.00 -0.71 0.00 0.00 39.64 36.56 3kip n ILE 36 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3kip h GLU 37 N 0.00 0.00 -0.03 0.38 4.57 -1.03 -2.70 114.58 115.77 3kip h GLU 37 Ca 0.72 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.85 3kip h GLU 37 Cb 1.84 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.44 3kip h GLU 37 CO -0.71 0.00 -0.17 0.37 -1.18 0.00 0.00 179.01 177.33 3kip h GLN 38 N 0.00 0.17 0.64 1.92 4.15 0.81 -2.62 115.11 120.18 3kip h GLN 38 Ca 0.00 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.25 3kip h GLN 38 Cb 0.94 0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.66 3kip h GLN 38 CO 0.00 0.80 -0.31 0.00 -1.93 0.00 0.00 178.83 177.39 3kip h ALA 39 N 0.37 -1.11 -0.71 3.38 0.00 -1.54 -3.06 119.26 116.59 3kip h ALA 39 Ca -0.01 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 54.91 3kip h ALA 39 Cb 0.83 0.33 -0.13 0.00 0.00 0.00 0.00 17.79 18.83 3kip h ALA 39 CO 0.03 -1.05 0.05 1.63 0.00 0.00 0.00 179.25 179.91 3kip n LYS 40 N -4.57 -0.06 0.30 0.00 5.02 -1.02 0.03 118.16 117.86 3kip n LYS 40 Ca -0.11 1.05 0.20 0.00 -2.02 0.00 0.00 58.31 57.43 3kip n LYS 40 Cb 0.34 -1.69 0.96 0.00 -0.02 0.00 0.00 35.03 34.62 3kip n LYS 40 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3kip h LEU 41 N 0.00 0.00 -0.01 -0.35 5.85 -1.36 -0.75 115.31 118.68 3kip h LEU 41 Ca 0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.17 3kip h LEU 41 Cb 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3kip h LEU 41 CO -0.65 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 177.74 3kip n LYS 42 N -3.01 0.00 -3.97 1.25 4.76 0.10 -4.88 118.16 112.42 3kip n LYS 42 Ca -0.01 0.25 -0.31 0.00 -2.87 0.00 0.00 58.31 55.37 3kip n LYS 42 Cb 0.17 -1.51 -0.01 0.00 -1.84 0.00 0.00 35.03 31.84 3kip n LYS 42 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kip n ASN 43 N -1.52 -1.82 -2.68 4.39 5.15 -0.29 -4.90 115.26 113.59 3kip n ASN 43 Ca 0.03 -1.10 -0.03 0.00 -0.60 0.00 0.00 54.58 52.88 3kip n ASN 43 Cb 0.17 -2.69 0.12 0.00 -0.53 0.00 0.00 39.78 36.86 3kip n ASN 43 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 3kip n ASN 44 N -2.77 -1.47 -2.91 1.20 6.94 -1.26 -5.01 115.26 109.97 3kip n ASN 44 Ca -0.23 -2.28 -0.22 0.00 -0.02 0.00 0.00 54.58 51.83 3kip n ASN 44 Cb 0.65 0.73 0.03 0.00 -2.36 0.00 0.00 39.78 38.83 3kip n ASN 44 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3kip n ASP 45 N -1.29 -6.06 -4.89 0.53 9.92 -1.26 -5.01 116.55 108.49 3kip n ASP 45 Ca -0.14 -0.26 -0.32 0.00 -0.53 0.00 0.00 54.79 53.54 3kip n ASP 45 Cb 0.87 -4.89 -0.05 0.00 -0.64 0.00 0.00 41.12 36.42 3kip n ASP 45 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 3kip s SER 46 N -2.67 6.26 -0.13 -2.24 0.01 -1.26 -4.76 113.70 108.91 3kip s SER 46 Ca 0.28 0.29 -0.09 0.00 1.31 0.00 0.00 55.95 57.74 3kip s SER 46 Cb -0.12 -1.93 0.04 0.00 0.21 0.00 0.00 66.02 64.22 3kip s SER 46 CO 0.34 0.23 0.32 -0.70 0.41 0.00 0.00 173.24 173.85 3kip s GLU 47 N -2.11 0.33 -0.21 12.44 2.12 -0.55 -3.90 118.70 126.81 3kip s GLU 47 Ca 0.29 0.57 -0.04 0.00 0.36 0.00 0.00 54.97 56.15 3kip s GLU 47 Cb -0.13 0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.28 3kip s GLU 47 CO 0.21 -0.11 -0.05 0.08 -0.54 0.00 0.00 175.26 174.85 3kip s VAL 48 N 0.85 3.35 0.10 3.70 1.01 -1.26 -1.46 120.40 126.70 3kip s VAL 48 Ca -0.06 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 3kip s VAL 48 Cb -0.06 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 3kip s VAL 48 CO -0.06 0.43 0.33 -0.76 0.00 0.00 0.00 175.10 175.05 3kip s LEU 49 N 1.36 4.30 0.00 3.92 1.43 -0.36 -4.59 118.68 124.75 3kip s LEU 49 Ca 0.04 0.55 0.05 0.00 -1.03 0.00 0.00 54.13 53.74 3kip s LEU 49 Cb -0.14 -3.13 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 3kip s LEU 49 CO -0.03 0.11 -0.15 0.68 0.23 0.00 0.00 176.35 177.20 3kip s VAL 50 N -1.56 1.15 0.01 -1.59 -7.23 -1.26 -0.41 120.40 109.51 3kip s VAL 50 Ca 0.37 -0.72 -0.07 0.00 -1.81 0.00 0.00 61.98 59.75 3kip s VAL 50 Cb -0.13 -0.98 0.00 0.00 0.56 0.00 0.00 36.38 35.84 3kip s VAL 50 CO 0.23 0.25 0.14 0.12 -0.31 0.00 0.00 175.10 175.53 3kip s PHE 51 N -0.46 0.06 -0.07 2.82 5.36 -0.28 -4.97 117.98 120.44 3kip s PHE 51 Ca 0.05 -0.20 -0.20 0.00 -0.96 0.00 0.00 56.93 55.62 3kip s PHE 51 Cb -0.06 -0.06 0.04 0.00 -0.34 0.00 0.00 43.02 42.60 3kip s PHE 51 CO -0.00 -0.32 0.46 -1.14 -1.46 0.00 0.00 175.22 172.76 3kip s GLN 52 N -1.71 0.75 -0.17 10.12 -0.44 -1.26 0.48 119.66 127.44 3kip s GLN 52 Ca -0.12 0.17 -0.29 0.00 -2.50 0.00 0.00 55.36 52.61 3kip s GLN 52 Cb -0.06 0.35 0.12 0.00 -1.64 0.00 0.00 33.01 31.78 3kip s GLN 52 CO 0.00 -0.19 0.95 0.45 0.50 0.00 0.00 175.29 177.00 3kip s SER 53 N -0.87 -0.44 0.00 6.67 0.15 -1.13 -4.99 113.70 113.09 3kip s SER 53 Ca -0.09 0.57 0.24 0.00 0.70 0.00 0.00 55.95 57.37 3kip s SER 53 Cb -0.03 0.49 0.74 0.00 -1.71 0.00 0.00 66.02 65.50 3kip s SER 53 CO 0.05 -0.34 1.56 0.59 1.20 0.00 0.00 173.24 176.30 3kip n ASN 54 N 1.12 2.02 -4.43 5.45 3.02 -1.26 -2.78 115.26 118.40 3kip n ASN 54 Ca -0.12 -1.71 -0.40 0.00 -0.03 0.00 0.00 54.58 52.32 3kip n ASN 54 Cb 0.57 -0.07 -0.11 0.00 -0.61 0.00 0.00 39.78 39.56 3kip n ASN 54 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kip s THR 55 N -1.85 4.73 0.24 3.41 2.01 -1.26 -4.65 115.64 118.27 3kip s THR 55 Ca 0.35 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 61.70 3kip s THR 55 Cb 0.20 -3.52 0.40 0.00 0.01 0.00 0.00 72.50 69.59 3kip s THR 55 CO 0.30 -0.09 1.36 1.21 -0.69 0.00 0.00 174.62 176.71 3kip n GLU 56 N 5.02 -0.08 -0.11 4.92 2.13 -1.26 -1.32 120.64 129.93 3kip n GLU 56 Ca -0.13 1.35 -0.05 0.00 0.66 0.00 0.00 57.16 58.99 3kip n GLU 56 Cb 0.48 -2.03 0.14 0.00 0.27 0.00 0.00 31.44 30.30 3kip n GLU 56 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3kip h GLY 57 N 0.00 0.88 1.36 8.31 0.00 -1.99 -1.14 103.07 110.48 3kip h GLY 57 Ca 0.42 -0.62 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 3kip h GLY 57 CO -0.89 0.57 -0.03 0.74 0.00 0.00 0.00 176.54 176.93 3kip h PHE 58 N 0.75 0.84 -0.50 5.60 0.04 -1.62 0.28 116.94 122.32 3kip h PHE 58 Ca 0.14 -0.12 -0.10 0.00 2.80 0.00 0.00 57.97 60.69 3kip h PHE 58 Cb 0.51 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 3kip h PHE 58 CO 0.03 0.79 -0.06 0.82 -0.60 0.00 0.00 178.31 179.28 3kip h ILE 59 N 0.72 1.27 -0.16 -0.55 2.04 -1.01 -1.63 117.51 118.20 3kip h ILE 59 Ca 0.14 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 3kip h ILE 59 Cb 0.48 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3kip h ILE 59 CO 0.02 0.41 0.08 0.40 0.00 0.00 0.00 178.15 179.07 3kip h ILE 60 N 0.79 1.10 -0.70 -0.67 2.04 -0.39 -1.50 117.51 118.19 3kip h ILE 60 Ca 0.14 -0.29 0.15 0.00 1.00 0.00 0.00 64.86 65.86 3kip h ILE 60 Cb 0.60 1.01 -0.11 0.00 -0.74 0.00 0.00 36.82 37.59 3kip h ILE 60 CO 0.04 0.10 0.11 0.44 0.00 0.00 0.00 178.15 178.83 3kip h ASP 61 N 0.15 -0.10 -0.47 1.72 3.32 -0.39 -0.91 116.42 119.73 3kip h ASP 61 Ca 0.05 0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 3kip h ASP 61 Cb 0.08 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3kip h ASP 61 CO -0.01 -0.07 0.07 -0.09 -1.72 0.00 0.00 179.24 177.42 3kip h ARG 62 N 0.21 0.78 -0.98 3.56 9.65 -0.73 -1.75 114.38 125.12 3kip h ARG 62 Ca 0.39 -0.21 0.01 0.00 -1.10 0.00 0.00 59.98 59.06 3kip h ARG 62 Cb 0.65 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.09 3kip h ARG 62 CO -0.53 0.80 0.65 0.82 2.80 0.00 0.00 179.97 184.50 3kip h ILE 63 N 0.64 1.25 -0.56 1.20 2.04 -0.19 -0.56 117.51 121.33 3kip h ILE 63 Ca 0.14 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.56 3kip h ILE 63 Cb 0.40 -0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 3kip h ILE 63 CO 0.01 0.24 0.36 0.45 0.00 0.00 0.00 178.15 179.21 3kip h HIS 64 N 1.32 0.67 -0.04 1.37 3.86 -0.65 -2.86 115.15 118.81 3kip h HIS 64 Ca 0.36 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.62 3kip h HIS 64 Cb -0.14 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.06 3kip h HIS 64 CO -0.00 0.40 -0.18 0.93 0.86 0.00 0.00 177.93 179.94 3kip h GLU 65 N 0.71 -0.26 -1.00 2.45 5.08 -0.41 -2.15 114.58 119.00 3kip h GLU 65 Ca 0.22 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.73 3kip h GLU 65 Cb -0.03 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 29.13 3kip h GLU 65 CO -0.07 -0.17 -0.44 0.00 -1.00 0.00 0.00 179.01 177.32 3kip h ALA 66 N 0.68 -0.03 -0.45 3.43 0.00 -1.08 -0.87 119.26 120.94 3kip h ALA 66 Ca 0.07 0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.31 3kip h ALA 66 Cb 0.36 1.11 -0.10 0.00 0.00 0.00 0.00 17.79 19.17 3kip h ALA 66 CO -0.20 -0.71 -0.25 -0.22 0.00 0.00 0.00 179.25 177.87 3kip h LYS 67 N -0.00 -0.15 0.00 0.00 1.63 -1.16 -1.06 116.57 115.83 3kip h LYS 67 Ca 0.30 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.07 3kip h LYS 67 Cb 0.55 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 3kip h LYS 67 CO -0.98 -0.10 -0.19 0.00 -3.45 0.00 0.00 179.45 174.73 3kip h ARG 68 N -0.16 0.00 -0.01 1.90 3.08 -1.09 -0.35 114.38 117.74 3kip h ARG 68 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3kip h ARG 68 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3kip h ARG 68 CO -0.55 0.19 0.00 1.04 -1.07 0.00 0.00 179.97 179.58 3kip n GLN 69 N -3.88 1.06 -1.22 0.04 6.02 -0.49 -4.94 117.38 113.97 3kip n GLN 69 Ca -0.02 -0.10 -0.08 0.00 -0.01 0.00 0.00 57.00 56.80 3kip n GLN 69 Cb 0.28 -1.30 -0.03 0.00 1.02 0.00 0.00 30.24 30.21 3kip n GLN 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kip n GLY 70 N 0.82 0.97 3.68 1.08 0.00 -0.14 -4.94 105.19 106.65 3kip n GLY 70 Ca 0.14 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 3kip n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kip s VAL 71 N -2.23 2.84 -0.42 1.61 1.01 -0.69 -4.75 120.40 117.77 3kip s VAL 71 Ca 0.00 0.21 0.23 0.00 0.00 0.00 0.00 61.98 62.42 3kip s VAL 71 Cb 0.00 -3.13 0.17 0.00 0.00 0.00 0.00 36.38 33.41 3kip s VAL 71 CO 0.00 -0.01 1.37 1.23 0.00 0.00 0.00 175.10 177.70 3kip h GLY 72 N 9.13 0.00 -5.07 4.51 0.00 -1.06 -3.44 103.07 107.15 3kip h GLY 72 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 3kip h GLY 72 CO 0.94 0.00 0.17 -0.12 0.00 0.00 0.00 176.54 177.53 3kip s PHE 73 N -3.25 -0.77 -0.08 5.60 2.19 -1.17 -4.37 117.98 116.12 3kip s PHE 73 Ca 0.04 1.83 0.01 0.00 0.33 0.00 0.00 56.93 59.15 3kip s PHE 73 Cb 0.09 0.32 -0.03 0.00 -1.31 0.00 0.00 43.02 42.09 3kip s PHE 73 CO 0.72 -0.37 -0.10 0.08 1.83 0.00 0.00 175.22 177.37 3kip s VAL 74 N 0.49 3.39 -0.22 3.12 1.01 -0.27 -0.43 120.40 127.50 3kip s VAL 74 Ca -0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 3kip s VAL 74 Cb -0.05 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 3kip s VAL 74 CO -0.02 0.57 -0.05 -0.69 0.00 0.00 0.00 175.10 174.91 3kip s VAL 75 N -0.44 3.37 -0.01 2.92 1.01 -0.15 -1.95 120.40 125.14 3kip s VAL 75 Ca 0.06 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.58 3kip s VAL 75 Cb -0.12 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 3kip s VAL 75 CO 0.02 0.43 -0.13 -0.51 0.00 0.00 0.00 175.10 174.91 3kip s ILE 76 N 1.41 1.00 -0.29 2.22 2.07 -0.51 -0.92 121.20 126.18 3kip s ILE 76 Ca 0.05 -0.53 0.02 0.00 -1.41 0.00 0.00 60.65 58.78 3kip s ILE 76 Cb -0.14 -0.85 0.08 0.00 0.13 0.00 0.00 42.46 41.68 3kip s ILE 76 CO -0.03 0.29 0.00 0.21 -1.91 0.00 0.00 174.94 173.50 3kip s ASN 77 N -0.21 4.37 0.00 4.50 2.47 -0.47 -0.47 114.94 125.13 3kip s ASN 77 Ca 0.03 -1.70 0.25 0.00 0.42 0.00 0.00 52.86 51.87 3kip s ASN 77 Cb -0.06 -1.38 1.06 0.00 -1.45 0.00 0.00 41.25 39.42 3kip s ASN 77 CO -0.00 -0.32 1.74 0.00 -3.72 0.00 0.00 177.10 174.80 3kip n ALA 78 N 4.48 2.57 -0.50 1.71 0.00 -1.26 -0.67 120.51 126.84 3kip n ALA 78 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3kip n ALA 78 Cb 0.42 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3kip n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kip n GLY 79 N 1.11 1.85 0.42 0.00 0.00 -1.26 -0.98 105.19 106.34 3kip n GLY 79 Ca 0.18 -0.38 0.23 0.00 0.00 0.00 0.00 46.02 46.05 3kip n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kip h ALA 80 N -0.50 2.59 0.00 4.61 0.00 -1.94 -0.13 119.26 123.89 3kip h ALA 80 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kip h ALA 80 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kip h ALA 80 CO 0.00 -0.81 -0.01 1.88 0.00 0.00 0.00 179.25 180.31 3kip h TYR 81 N 0.09 0.00 -1.09 0.00 0.05 -1.43 0.27 116.97 114.86 3kip h TYR 81 Ca 0.37 0.00 0.34 0.00 0.05 0.00 0.00 58.73 59.49 3kip h TYR 81 Cb 1.33 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.94 3kip h TYR 81 CO -0.00 0.01 0.67 1.15 -1.05 0.00 0.00 178.16 178.94 3kip h THR 82 N 0.00 0.30 -0.01 -2.88 2.02 -1.05 -0.74 112.91 110.54 3kip h THR 82 Ca -0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3kip h THR 82 Cb 0.05 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 3kip h THR 82 CO 0.00 0.05 -0.46 1.41 0.37 0.00 0.00 175.52 176.89 3kip n HIS 83 N -4.86 0.00 0.00 3.16 8.25 0.95 -1.09 115.22 121.63 3kip n HIS 83 Ca 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 3kip n HIS 83 Cb 1.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.19 3kip n HIS 83 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3kip n THR 84 N -0.15 0.00 -3.34 1.59 -2.24 -0.88 -4.76 114.28 104.51 3kip n THR 84 Ca 0.08 -0.13 -0.47 0.00 -2.27 0.00 0.00 64.05 61.26 3kip n THR 84 Cb 0.42 0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 69.29 3kip n THR 84 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kip s SER 85 N -0.70 6.73 0.40 3.42 0.15 -0.34 -4.84 113.70 118.52 3kip s SER 85 Ca 0.00 -2.69 0.10 0.00 0.70 0.00 0.00 55.95 54.06 3kip s SER 85 Cb 0.00 -2.20 0.83 0.00 -1.71 0.00 0.00 66.02 62.94 3kip s SER 85 CO 0.00 -0.57 1.94 0.58 1.20 0.00 0.00 173.24 176.39 3kip h VAL 86 N 4.79 1.16 -0.54 4.45 2.07 -1.93 -2.84 116.25 123.42 3kip h VAL 86 Ca 0.10 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.81 3kip h VAL 86 Cb 1.04 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 3kip h VAL 86 CO 0.75 0.22 -0.03 1.23 0.02 0.00 0.00 177.57 179.77 3kip h GLY 87 N 0.68 1.02 1.00 2.17 0.00 -1.98 -0.86 103.07 105.11 3kip h GLY 87 Ca 0.04 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 3kip h GLY 87 CO 0.02 0.69 0.35 -2.22 0.00 0.00 0.00 176.54 175.38 3kip h ILE 88 N 0.87 1.20 -0.15 2.60 2.04 -1.86 -1.71 117.51 120.49 3kip h ILE 88 Ca 0.15 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.57 3kip h ILE 88 Cb 0.55 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 3kip h ILE 88 CO 0.03 0.21 -0.12 -0.09 0.00 0.00 0.00 178.15 178.18 3kip h ARG 89 N 0.85 -0.13 0.00 2.37 2.43 -1.18 -0.89 114.38 117.83 3kip h ARG 89 Ca 0.22 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 3kip h ARG 89 Cb 0.03 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3kip h ARG 89 CO -0.04 -0.09 -0.23 -0.44 -1.51 0.00 0.00 179.97 177.66 3kip h ASP 90 N -0.13 0.00 -0.21 -3.80 5.19 -1.07 -0.17 116.42 116.22 3kip h ASP 90 Ca 0.10 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.33 3kip h ASP 90 Cb 0.28 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.79 3kip h ASP 90 CO -0.24 0.23 -0.52 0.00 -3.12 0.00 0.00 179.24 175.60 3kip h ALA 91 N 1.77 0.56 -0.20 3.45 0.00 -0.23 0.30 119.26 124.91 3kip h ALA 91 Ca -0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 3kip h ALA 91 Cb 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3kip h ALA 91 CO 0.03 0.68 -0.47 -0.07 0.00 0.00 0.00 179.25 179.42 3kip h LEU 92 N 0.62 0.76 -0.42 0.00 3.38 -0.76 -1.78 115.31 117.10 3kip h LEU 92 Ca 0.02 -0.56 -0.11 0.00 0.09 0.00 0.00 57.88 57.32 3kip h LEU 92 Cb 1.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3kip h LEU 92 CO 0.11 1.18 -0.16 -0.07 0.09 0.00 0.00 178.44 179.60 3kip h LEU 93 N 0.36 0.87 -0.61 1.67 3.38 -1.01 -0.37 115.31 119.60 3kip h LEU 93 Ca -0.00 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.66 3kip h LEU 93 Cb 1.08 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.53 3kip h LEU 93 CO 0.10 1.06 0.29 1.23 0.09 0.00 0.00 178.44 181.21 3kip h GLY 94 N 0.68 0.88 1.05 0.83 0.00 -0.38 -1.67 103.07 104.46 3kip h GLY 94 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3kip h GLY 94 CO 0.05 0.06 -0.36 -1.30 0.00 0.00 0.00 176.54 175.00 3kip n THR 95 N -4.90 0.00 -3.57 4.70 -2.24 -0.67 -4.96 114.28 102.63 3kip n THR 95 Ca 0.08 -0.02 -0.23 0.00 -2.27 0.00 0.00 64.05 61.61 3kip n THR 95 Cb 0.22 0.13 0.08 0.00 -2.10 0.00 0.00 70.33 68.66 3kip n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kip n ALA 96 N -1.35 -1.44 -2.65 6.98 0.00 -0.19 -4.98 120.51 116.88 3kip n ALA 96 Ca 0.07 0.32 -0.38 0.00 0.00 0.00 0.00 53.44 53.46 3kip n ALA 96 Cb 0.33 -4.95 -0.09 0.00 0.00 0.00 0.00 19.45 14.74 3kip n ALA 96 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kip s ILE 97 N -3.33 5.27 0.69 0.00 1.01 -0.98 -5.04 121.20 118.82 3kip s ILE 97 Ca 0.48 0.45 -0.16 0.00 0.00 0.00 0.00 60.65 61.42 3kip s ILE 97 Cb -0.21 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.65 3kip s ILE 97 CO 0.73 0.28 1.20 -2.16 0.00 0.00 0.00 174.94 174.99 3kip s PRO 98 N 1.34 2.43 0.04 2.79 0.04 -1.26 -4.78 135.00 135.61 3kip s PRO 98 Ca 0.13 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 62.74 3kip s PRO 98 Cb -0.14 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.56 3kip s PRO 98 CO 0.07 -1.61 0.39 -0.59 0.04 0.00 0.00 177.00 175.30 3kip s PHE 99 N -1.92 -0.23 -0.08 0.56 -0.71 -1.26 -1.12 117.98 113.23 3kip s PHE 99 Ca 0.74 0.17 0.03 0.00 -1.04 0.00 0.00 56.93 56.84 3kip s PHE 99 Cb -0.29 0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 41.70 3kip s PHE 99 CO 0.42 -0.55 -0.18 0.42 -1.34 0.00 0.00 175.22 173.98 3kip s ILE 100 N -2.46 2.65 -0.16 -4.49 1.01 -0.82 -0.11 121.20 116.82 3kip s ILE 100 Ca -0.05 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.59 3kip s ILE 100 Cb -0.01 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 3kip s ILE 100 CO -0.02 0.56 0.40 -0.70 0.00 0.00 0.00 174.94 175.18 3kip s GLU 101 N -0.13 4.27 -0.10 2.79 2.12 -0.77 -1.43 118.70 125.45 3kip s GLU 101 Ca -0.03 0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.58 3kip s GLU 101 Cb -0.14 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.77 3kip s GLU 101 CO 0.04 0.12 -0.10 0.08 -0.54 0.00 0.00 175.26 174.86 3kip s VAL 102 N 0.78 3.34 -0.07 3.70 1.01 0.38 -1.51 120.40 128.03 3kip s VAL 102 Ca 0.21 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.66 3kip s VAL 102 Cb -0.14 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 3kip s VAL 102 CO 0.08 0.56 -0.24 -1.00 0.00 0.00 0.00 175.10 174.49 3kip s HIS 103 N -0.22 2.41 0.18 5.22 3.76 -0.16 -4.34 115.29 122.13 3kip s HIS 103 Ca 0.02 -0.80 -0.10 0.00 -0.15 0.00 0.00 55.06 54.02 3kip s HIS 103 Cb -0.13 -1.59 0.07 0.00 1.11 0.00 0.00 32.58 32.04 3kip s HIS 103 CO 0.03 -0.28 1.67 0.82 -0.85 0.00 0.00 174.74 176.13 3kip h ILE 104 N 5.29 1.26 -1.29 0.60 2.04 -1.89 -1.72 117.51 121.81 3kip h ILE 104 Ca -0.28 -1.02 -0.56 0.00 1.00 0.00 0.00 64.86 63.99 3kip h ILE 104 Cb 1.20 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 37.92 3kip h ILE 104 CO 0.47 0.38 -0.44 0.42 0.00 0.00 0.00 178.15 178.98 3kip s THR 105 N -5.19 2.16 -0.58 -0.27 -4.23 -1.26 -1.87 115.64 104.39 3kip s THR 105 Ca -0.12 -1.61 -0.28 0.00 -1.18 0.00 0.00 61.69 58.50 3kip s THR 105 Cb 0.13 -2.77 0.03 0.00 1.34 0.00 0.00 72.50 71.23 3kip s THR 105 CO 0.84 0.00 1.17 0.21 -0.54 0.00 0.00 174.62 176.30 3kip s ASN 106 N -4.02 6.43 0.55 3.99 2.47 -1.26 -2.46 114.94 120.64 3kip s ASN 106 Ca 0.39 0.05 0.29 0.00 0.42 0.00 0.00 52.86 54.00 3kip s ASN 106 Cb 0.01 -2.54 1.58 0.00 -1.45 0.00 0.00 41.25 38.85 3kip s ASN 106 CO 0.22 -1.47 2.13 -0.37 -3.72 0.00 0.00 177.10 173.89 3kip h VAL 107 N 6.14 0.52 0.00 -5.21 -1.51 -1.93 -2.07 116.25 112.19 3kip h VAL 107 Ca -0.25 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 3kip h VAL 107 Cb 1.06 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 3kip h VAL 107 CO 1.18 0.08 0.00 0.45 -1.23 0.00 0.00 177.57 178.05 3kip h HIS 108 N 0.00 0.00 -0.00 5.19 3.86 -1.89 0.12 115.15 122.43 3kip h HIS 108 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kip h HIS 108 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 3kip h HIS 108 CO 0.00 0.00 -0.04 1.04 0.86 0.00 0.00 177.93 179.79 3kip n GLN 109 N -2.44 0.57 -0.12 2.45 6.02 -0.78 -4.90 117.38 118.18 3kip n GLN 109 Ca -0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 3kip n GLN 109 Cb 0.09 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.85 3kip n GLN 109 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3kip n ARG 110 N -1.14 3.52 -1.92 -1.09 1.74 0.03 -5.05 116.66 112.75 3kip n ARG 110 Ca 0.15 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.81 3kip n ARG 110 Cb 0.24 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.65 3kip n ARG 110 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3kip s GLU 111 N 1.39 4.21 0.12 5.56 8.01 -1.26 -4.85 118.70 131.88 3kip s GLU 111 Ca 0.00 2.37 -0.02 0.00 0.01 0.00 0.00 54.97 57.33 3kip s GLU 111 Cb 0.00 -3.17 0.23 0.00 -4.31 0.00 0.00 34.13 26.88 3kip s GLU 111 CO 0.00 -0.62 0.66 -0.35 0.01 0.00 0.00 175.26 174.97 3kip n PRO 112 N 4.06 -0.04 0.27 0.39 -0.04 -1.26 0.13 135.00 138.51 3kip n PRO 112 Ca 0.14 0.66 0.18 0.00 -0.04 0.00 0.00 63.50 64.44 3kip n PRO 112 Cb 0.38 -1.00 0.99 0.00 -0.04 0.00 0.00 33.50 33.83 3kip n PRO 112 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3kip h PHE 113 N 0.00 0.00 0.00 0.54 -5.15 -1.98 0.31 116.94 110.66 3kip h PHE 113 Ca 0.22 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.99 3kip h PHE 113 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.54 3kip h PHE 113 CO -0.30 0.00 -0.07 0.54 -2.00 0.00 0.00 178.31 176.48 3kip n ARG 114 N -2.77 0.11 0.22 6.09 1.74 0.34 -3.24 116.66 119.16 3kip n ARG 114 Ca -0.02 0.08 0.15 0.00 -0.77 0.00 0.00 57.85 57.29 3kip n ARG 114 Cb 0.06 -1.62 0.63 0.00 -1.02 0.00 0.00 32.46 30.50 3kip n ARG 114 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3kip h HIS 115 N 0.00 0.00 -3.42 -1.55 3.86 -0.46 -3.45 115.15 110.12 3kip h HIS 115 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 3kip h HIS 115 Cb 0.60 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.07 3kip h HIS 115 CO 0.00 0.00 0.46 -0.65 0.86 0.00 0.00 177.93 178.60 3kip s GLN 116 N -3.55 4.56 -0.04 2.45 -1.52 -1.20 -5.06 119.66 115.30 3kip s GLN 116 Ca 0.02 1.63 0.02 0.00 -1.95 0.00 0.00 55.36 55.08 3kip s GLN 116 Cb 0.09 -3.35 0.01 0.00 -0.22 0.00 0.00 33.01 29.55 3kip s GLN 116 CO 0.48 -0.02 -0.07 0.45 -0.25 0.00 0.00 175.29 175.88 3kip s SER 117 N 0.47 1.07 0.00 5.90 0.15 -1.26 -4.40 113.70 115.63 3kip s SER 117 Ca 0.52 -0.16 0.31 0.00 0.70 0.00 0.00 55.95 57.32 3kip s SER 117 Cb -0.27 -0.43 1.78 0.00 -1.71 0.00 0.00 66.02 65.39 3kip s SER 117 CO 0.31 -0.00 2.14 -1.22 1.20 0.00 0.00 173.24 175.67 3kip n TYR 118 N 3.74 0.00 -0.11 3.44 4.01 -0.25 -4.20 117.16 123.79 3kip n TYR 118 Ca -0.23 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.34 3kip n TYR 118 Cb 0.52 -0.05 -0.10 0.00 -0.31 0.00 0.00 39.34 39.40 3kip n TYR 118 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3kip n LEU 119 N -1.05 2.71 -0.29 7.72 4.77 -1.26 -4.69 117.00 124.91 3kip n LEU 119 Ca 0.21 -0.03 0.06 0.00 -0.03 0.00 0.00 56.01 56.22 3kip n LEU 119 Cb 0.13 -0.77 0.16 0.00 -2.33 0.00 0.00 43.42 40.61 3kip n LEU 119 CO 0.18 0.80 0.77 0.28 -1.33 0.00 0.00 177.39 178.09 3kip h SER 120 N -0.18 -0.55 0.77 -1.43 0.02 -1.95 -0.71 113.55 109.52 3kip h SER 120 Ca -0.53 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3kip h SER 120 Cb 1.73 0.44 0.00 0.00 0.14 0.00 0.00 62.40 64.71 3kip h SER 120 CO -0.14 -0.25 0.00 -0.90 -1.14 0.00 0.00 176.83 174.40 3kip n ASP 121 N -5.45 0.06 -0.01 3.07 5.75 -1.26 -2.04 116.55 116.66 3kip n ASP 121 Ca 0.15 0.51 0.08 0.00 -0.01 0.00 0.00 54.79 55.52 3kip n ASP 121 Cb 0.51 -0.52 -0.09 0.00 -1.03 0.00 0.00 41.12 39.98 3kip n ASP 121 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kip n LYS 122 N -1.56 1.53 -1.87 0.11 4.76 -0.36 -5.01 118.16 115.75 3kip n LYS 122 Ca 0.05 -0.02 -0.32 0.00 -2.87 0.00 0.00 58.31 55.15 3kip n LYS 122 Cb 0.26 -1.28 0.02 0.00 -1.84 0.00 0.00 35.03 32.19 3kip n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kip s ALA 123 N -2.55 2.77 0.04 7.82 0.00 -0.67 -4.85 121.76 124.32 3kip s ALA 123 Ca 0.06 0.21 -0.17 0.00 0.00 0.00 0.00 51.96 52.07 3kip s ALA 123 Cb 0.13 -3.19 -0.23 0.00 0.00 0.00 0.00 23.12 19.83 3kip s ALA 123 CO 0.67 -0.92 1.16 0.28 0.00 0.00 0.00 175.76 176.95 3kip h VAL 124 N -0.05 1.35 -4.31 0.00 2.07 -0.83 -3.47 116.25 111.00 3kip h VAL 124 Ca -0.45 -2.15 -0.23 0.00 0.82 0.00 0.00 66.70 64.69 3kip h VAL 124 Cb 1.21 2.45 -0.12 0.00 -1.52 0.00 0.00 31.29 33.31 3kip h VAL 124 CO 0.58 0.65 -0.40 0.00 0.02 0.00 0.00 177.57 178.41 3kip s ALA 125 N -3.30 0.82 -0.07 1.67 0.00 -1.26 -5.06 121.76 114.56 3kip s ALA 125 Ca -0.11 -1.50 -0.03 0.00 0.00 0.00 0.00 51.96 50.31 3kip s ALA 125 Cb 0.05 1.28 0.04 0.00 0.00 0.00 0.00 23.12 24.50 3kip s ALA 125 CO 0.87 -0.70 0.14 0.54 0.00 0.00 0.00 175.76 176.61 3kip s VAL 126 N -3.86 -0.22 -0.19 0.00 0.11 -1.26 -1.85 120.40 113.14 3kip s VAL 126 Ca 0.34 0.36 -0.05 0.00 -2.93 0.00 0.00 61.98 59.70 3kip s VAL 126 Cb 0.03 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.60 3kip s VAL 126 CO 0.15 0.15 -0.00 -0.63 -3.33 0.00 0.00 175.10 171.43 3kip s ILE 127 N 2.20 4.00 0.01 7.04 1.01 -0.57 -4.99 121.20 129.90 3kip s ILE 127 Ca 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 3kip s ILE 127 Cb -0.12 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 3kip s ILE 127 CO -0.05 0.44 0.04 0.00 0.00 0.00 0.00 174.94 175.37 3kip n GLY 129 N 1.51 0.72 0.77 0.00 0.00 -0.64 -4.67 105.19 102.88 3kip n GLY 129 Ca -0.23 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.36 3kip n GLY 129 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kip n LEU 130 N -0.52 2.25 0.00 0.99 7.94 -1.23 -4.69 117.00 121.73 3kip n LEU 130 Ca -0.05 -1.09 0.00 0.00 -1.11 0.00 0.00 56.01 53.77 3kip n LEU 130 Cb 0.20 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 43.90 3kip n LEU 130 CO 0.07 0.54 0.00 0.61 -1.11 0.00 0.00 177.39 177.50 3kip n GLY 131 N 1.19 -1.83 0.34 -3.96 0.00 -0.78 -3.28 105.19 96.88 3kip n GLY 131 Ca 0.15 -1.39 0.16 0.00 0.00 0.00 0.00 46.02 44.94 3kip n GLY 131 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kip h VAL 132 N 0.00 0.83 -0.71 1.61 2.07 -1.94 -1.31 116.25 116.80 3kip h VAL 132 Ca 0.00 -0.02 0.20 0.00 0.82 0.00 0.00 66.70 67.71 3kip h VAL 132 Cb 0.00 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3kip h VAL 132 CO 0.00 0.01 0.53 0.22 0.02 0.00 0.00 177.57 178.34 3kip h TYR 133 N 0.05 0.00 -0.97 1.57 3.20 -1.96 0.44 116.97 119.29 3kip h TYR 133 Ca 0.18 0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.26 3kip h TYR 133 Cb 0.66 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.84 3kip h TYR 133 CO -0.00 0.00 0.62 0.78 -1.64 0.00 0.00 178.16 177.92 3kip h GLY 134 N 0.00 1.24 1.11 1.82 0.00 -1.24 0.26 103.07 106.25 3kip h GLY 134 Ca 0.34 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.28 3kip h GLY 134 CO -0.00 -0.05 -0.29 -0.97 0.00 0.00 0.00 176.54 175.23 3kip h TYR 135 N 0.52 1.12 -0.57 5.60 0.05 -1.09 -2.51 116.97 120.08 3kip h TYR 135 Ca 0.53 -0.30 -0.04 0.00 0.05 0.00 0.00 58.73 58.97 3kip h TYR 135 Cb 1.16 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.63 3kip h TYR 135 CO -0.00 1.12 0.20 1.15 -1.05 0.00 0.00 178.16 179.58 3kip h THR 136 N 0.79 1.23 -0.29 -2.88 2.02 -0.64 -1.05 112.91 112.09 3kip h THR 136 Ca 0.09 -0.77 -0.15 0.00 0.77 0.00 0.00 66.41 66.35 3kip h THR 136 Cb 0.87 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3kip h THR 136 CO 0.08 0.29 -0.39 0.00 0.37 0.00 0.00 175.52 175.86 3kip h ALA 137 N 1.06 0.44 -0.66 6.16 0.00 -1.00 0.75 119.26 126.00 3kip h ALA 137 Ca 0.19 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3kip h ALA 137 Cb 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3kip h ALA 137 CO -0.01 0.54 0.43 0.00 0.00 0.00 0.00 179.25 180.21 3kip h ALA 138 N 0.69 1.59 -0.36 0.00 0.00 -1.38 -1.61 119.26 118.19 3kip h ALA 138 Ca 0.03 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3kip h ALA 138 Cb 0.99 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3kip h ALA 138 CO 0.09 0.36 -0.33 0.82 0.00 0.00 0.00 179.25 180.19 3kip h ILE 139 N 0.83 1.28 -0.13 0.00 2.04 -0.50 0.09 117.51 121.13 3kip h ILE 139 Ca 0.25 -1.49 0.05 0.00 1.00 0.00 0.00 64.86 64.67 3kip h ILE 139 Cb -0.01 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 3kip h ILE 139 CO -0.06 0.49 -0.28 -0.33 0.00 0.00 0.00 178.15 177.97 3kip h GLU 140 N 0.68 -0.33 -0.14 2.37 4.39 -0.37 -1.19 114.58 119.98 3kip h GLU 140 Ca 0.07 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.80 3kip h GLU 140 Cb 0.88 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 3kip h GLU 140 CO 0.08 -0.22 0.05 -0.92 -1.16 0.00 0.00 179.01 176.84 3kip h TYR 141 N -0.35 0.09 -0.49 4.33 5.03 -1.16 -1.66 116.97 122.77 3kip h TYR 141 Ca 0.10 0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.51 3kip h TYR 141 Cb 0.50 -0.02 -0.10 0.00 1.55 0.00 0.00 36.73 38.65 3kip h TYR 141 CO -0.37 0.05 -0.25 0.00 -1.32 0.00 0.00 178.16 176.27 3kip h ALA 142 N 1.08 0.07 0.00 1.82 0.00 -0.78 -0.41 119.26 121.04 3kip h ALA 142 Ca 0.06 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kip h ALA 142 Cb 0.03 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kip h ALA 142 CO -0.06 -0.59 0.00 1.28 0.00 0.00 0.00 179.25 179.88 3kip n LEU 143 N -5.41 0.00 -2.53 0.00 4.77 -0.47 -2.74 117.00 110.62 3kip n LEU 143 Ca 0.04 0.22 -0.28 0.00 -0.03 0.00 0.00 56.01 55.95 3kip n LEU 143 Cb 0.32 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3kip n LEU 143 CO 0.07 -0.03 0.34 0.59 -1.33 0.00 0.00 177.39 177.02 3kip n ASN 144 N -1.22 5.01 -4.30 -1.43 4.13 -0.17 -4.39 115.26 112.89 3kip n ASN 144 Ca 0.14 -3.73 -0.33 0.00 1.68 0.00 0.00 54.58 52.34 3kip n ASN 144 Cb 0.18 -0.53 -0.15 0.00 -1.54 0.00 0.00 39.78 37.74 3kip n ASN 144 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3kip s TYR 145 N -3.60 2.81 -0.01 3.10 5.04 -1.11 -4.95 117.35 118.64 3kip s TYR 145 Ca 0.48 -0.90 -0.01 0.00 -2.44 0.00 0.00 57.07 54.21 3kip s TYR 145 Cb 0.40 -1.89 0.00 0.00 0.35 0.00 0.00 41.96 40.82 3kip s TYR 145 CO -0.21 -0.39 0.01 1.04 -1.34 0.00 0.00 175.55 174.65 3kip n GLN 146 N 3.95 -0.04 0.00 4.97 1.13 -1.26 -1.16 117.38 124.96 3kip n GLN 146 Ca -0.19 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 3kip n GLN 146 Cb 0.52 -0.09 0.00 0.00 0.11 0.00 0.00 30.24 30.78 3kip n GLN 146 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90