#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 3.31 -0.01 4.08 1.01 -0.96 -4.72 120.40 123.10 3kip s VAL 1 Ca 0.00 1.29 0.01 0.00 0.00 0.00 0.00 61.98 63.28 3kip s VAL 1 Cb 0.00 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 3kip s VAL 1 CO 0.00 0.28 0.02 0.29 0.00 0.00 0.00 175.10 175.69 3kip n LYS 2 N 0.97 2.16 -4.00 2.72 5.02 -1.26 -4.71 118.16 119.06 3kip n LYS 2 Ca -0.00 -0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 55.99 3kip n LYS 2 Cb 0.44 -1.04 -0.17 0.00 -0.02 0.00 0.00 35.03 34.25 3kip n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kip s LYS 3 N -2.06 2.15 -0.03 1.97 2.20 -1.26 -1.72 119.74 120.99 3kip s LYS 3 Ca -0.01 -0.50 0.05 0.00 -0.36 0.00 0.00 55.97 55.15 3kip s LYS 3 Cb 0.01 -2.01 -0.01 0.00 -1.51 0.00 0.00 37.83 34.31 3kip s LYS 3 CO 0.06 -0.24 -0.18 0.08 -0.36 0.00 0.00 175.35 174.71 3kip s VAL 4 N 1.53 1.43 -0.21 4.02 1.01 -0.08 -1.27 120.40 126.83 3kip s VAL 4 Ca 0.05 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 3kip s VAL 4 Cb -0.13 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 3kip s VAL 4 CO -0.10 0.41 -0.00 -0.22 0.00 0.00 0.00 175.10 175.18 3kip s LEU 5 N -0.22 3.18 -0.32 3.92 2.96 -0.23 -0.70 118.68 127.28 3kip s LEU 5 Ca 0.02 -0.25 -0.21 0.00 -0.22 0.00 0.00 54.13 53.47 3kip s LEU 5 Cb -0.09 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 3kip s LEU 5 CO 0.01 0.03 0.65 -0.22 -1.32 0.00 0.00 176.35 175.50 3kip s LEU 6 N 1.19 4.16 -0.12 -0.68 2.96 0.26 -0.38 118.68 126.07 3kip s LEU 6 Ca 0.03 0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 54.33 3kip s LEU 6 Cb -0.14 -2.84 -0.02 0.00 0.50 0.00 0.00 46.19 43.68 3kip s LEU 6 CO 0.01 -0.52 -0.10 -0.63 -1.32 0.00 0.00 176.35 173.78 3kip s ILE 7 N 2.68 3.32 -0.11 6.68 1.01 0.14 -1.15 121.20 133.77 3kip s ILE 7 Ca 0.26 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.36 3kip s ILE 7 Cb -0.15 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 39.94 3kip s ILE 7 CO 0.13 0.54 -0.21 0.20 0.00 0.00 0.00 174.94 175.59 3kip s ASN 8 N 0.04 2.92 0.00 3.58 -0.87 0.42 -1.04 114.94 120.00 3kip s ASN 8 Ca -0.03 -0.54 0.00 0.00 -1.57 0.00 0.00 52.86 50.72 3kip s ASN 8 Cb -0.14 -1.34 0.00 0.00 -0.02 0.00 0.00 41.25 39.75 3kip s ASN 8 CO 0.04 0.10 0.00 0.61 -2.57 0.00 0.00 177.10 175.28 3kip n GLY 9 N 3.84 0.17 3.63 0.66 0.00 0.14 -2.69 105.19 110.93 3kip n GLY 9 Ca -0.20 -1.76 -0.45 0.00 0.00 0.00 0.00 46.02 43.61 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 1.61 0.00 1.61 -0.04 -1.04 -3.07 135.00 134.07 3kip n PRO 10 Ca 0.00 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 3kip n PRO 10 Cb 0.00 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 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 1.61 0.00 0.09 3.54 3.02 -1.26 -4.53 115.26 117.73 3kip n ASN 11 Ca 0.11 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.72 3kip n ASN 11 Cb 0.31 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 39.80 3kip n ASN 11 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kip n LEU 12 N 0.00 0.31 0.00 3.41 4.77 -1.17 -0.06 117.00 124.25 3kip n LEU 12 Ca 0.00 0.64 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 3kip n LEU 12 Cb 0.00 -0.68 0.69 0.00 -2.33 0.00 0.00 43.42 41.09 3kip n LEU 12 CO 0.00 -0.75 0.91 -0.46 -1.33 0.00 0.00 177.39 175.77 3kip n ASN 13 N -1.91 0.00 -0.55 -1.43 6.94 -1.26 -3.50 115.26 113.54 3kip n ASN 13 Ca -0.01 -1.10 0.09 0.00 -0.02 0.00 0.00 54.58 53.54 3kip n ASN 13 Cb 0.02 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 37.47 3kip n ASN 13 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3kip n LEU 14 N -0.90 2.10 -4.79 -4.53 4.77 0.92 -4.83 117.00 109.73 3kip n LEU 14 Ca 0.17 -0.87 -0.39 0.00 -0.03 0.00 0.00 56.01 54.90 3kip n LEU 14 Cb 0.08 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3kip n LEU 14 CO 0.13 0.38 0.33 -1.48 -1.33 0.00 0.00 177.39 175.42 3kip s LEU 15 N -1.88 4.52 -0.37 2.23 2.34 -1.23 0.18 118.68 124.47 3kip s LEU 15 Ca 0.18 1.34 0.02 0.00 0.06 0.00 0.00 54.13 55.72 3kip s LEU 15 Cb 0.15 -3.00 0.10 0.00 -0.56 0.00 0.00 46.19 42.88 3kip s LEU 15 CO 0.35 0.22 0.11 -0.83 -1.06 0.00 0.00 176.35 175.14 3kip s GLY 16 N -0.92 1.98 -0.26 -3.48 0.00 -1.08 -2.91 107.32 100.66 3kip s GLY 16 Ca 0.31 -2.57 0.13 0.00 0.00 0.00 0.00 44.72 42.59 3kip s GLY 16 CO 0.20 0.97 1.66 -1.30 0.00 0.00 0.00 173.10 174.63 3kip n THR 17 N 4.32 2.68 0.02 0.90 -2.24 0.13 -4.62 114.28 115.45 3kip n THR 17 Ca 0.02 -1.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.07 3kip n THR 17 Cb 0.41 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 3kip n THR 17 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3kip n ARG 18 N -0.12 0.00 -0.00 -0.78 1.74 -1.26 -5.19 116.66 111.05 3kip n ARG 18 Ca 0.31 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.43 3kip n ARG 18 Cb 1.17 -0.29 -0.05 0.00 -1.02 0.00 0.00 32.46 32.27 3kip n ARG 18 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3kip n TYR 23 N -2.91 0.00 -3.32 -1.55 9.36 -1.26 -5.10 117.16 112.38 3kip n TYR 23 Ca 0.00 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.93 3kip n TYR 23 Cb 0.24 -0.09 -0.03 0.00 -0.63 0.00 0.00 39.34 38.83 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 -2.30 1.93 0.00 2.98 0.00 -1.26 -4.93 107.32 103.74 3kip s GLY 24 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.22 3kip s GLY 24 CO 0.31 -0.38 0.12 -1.30 0.00 0.00 0.00 173.10 171.85 3kip n THR 25 N -0.83 0.07 -2.71 0.90 -2.24 -1.26 -4.42 114.28 103.79 3kip n THR 25 Ca -0.01 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 3kip n THR 25 Cb 0.54 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 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 -0.26 4.38 0.65 4.28 2.01 -1.26 -4.58 115.64 120.85 3kip s THR 26 Ca 0.00 1.12 -0.09 0.00 0.31 0.00 0.00 61.69 63.03 3kip s THR 26 Cb 0.00 -4.49 0.00 0.00 0.01 0.00 0.00 72.50 68.02 3kip s THR 26 CO 0.00 -0.83 1.01 -0.94 -0.69 0.00 0.00 174.62 173.17 3kip s SER 27 N 2.23 5.66 0.41 3.53 1.04 -1.26 -2.63 113.70 122.68 3kip s SER 27 Ca 0.43 1.05 0.12 0.00 0.48 0.00 0.00 55.95 58.03 3kip s SER 27 Cb -0.09 -1.97 0.96 0.00 0.10 0.00 0.00 66.02 65.01 3kip s SER 27 CO 0.26 -1.14 1.93 0.25 0.98 0.00 0.00 173.24 175.52 3kip h LEU 28 N -0.41 0.47 -0.30 2.42 5.85 -1.75 -2.46 115.31 119.13 3kip h LEU 28 Ca -0.45 0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.09 3kip h LEU 28 Cb 1.24 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 3kip h LEU 28 CO 0.63 0.27 -0.82 -1.28 -0.34 0.00 0.00 178.44 176.89 3kip h SER 29 N 0.52 0.50 0.17 1.25 0.87 -1.92 -0.66 113.55 114.28 3kip h SER 29 Ca 0.35 -0.36 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 3kip h SER 29 Cb 0.66 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 3kip h SER 29 CO -0.12 1.13 -0.23 0.44 -0.53 0.00 0.00 176.83 177.51 3kip h ASP 30 N 0.26 -0.65 -0.21 6.23 3.32 -1.82 0.22 116.42 123.78 3kip h ASP 30 Ca -0.05 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.12 3kip h ASP 30 Cb 1.42 0.23 -0.05 0.00 0.22 0.00 0.00 39.33 41.15 3kip h ASP 30 CO 0.14 -0.33 -0.14 0.40 -1.72 0.00 0.00 179.24 177.59 3kip h ILE 31 N -0.47 0.60 0.38 0.35 2.04 -1.29 0.29 117.51 119.41 3kip h ILE 31 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 3kip h ILE 31 Cb 0.46 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3kip h ILE 31 CO -0.09 0.00 -0.50 -0.33 0.00 0.00 0.00 178.15 177.22 3kip h GLU 32 N -0.13 -0.88 -0.64 2.37 5.08 -1.07 -0.47 114.58 118.83 3kip h GLU 32 Ca 0.12 0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.65 3kip h GLU 32 Cb 0.31 0.20 -0.08 0.00 0.50 0.00 0.00 28.75 29.68 3kip h GLU 32 CO -0.29 -0.59 0.21 1.96 -1.00 0.00 0.00 179.01 179.30 3kip h GLN 33 N -0.92 0.35 -0.59 2.33 1.08 -0.52 -1.27 115.11 115.58 3kip h GLN 33 Ca -0.04 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.06 3kip h GLN 33 Cb 0.83 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.16 3kip h GLN 33 CO -0.13 0.23 0.07 0.00 -0.95 0.00 0.00 178.83 178.05 3kip h ALA 34 N 1.47 1.02 -0.53 3.87 0.00 -0.77 0.01 119.26 124.34 3kip h ALA 34 Ca 0.34 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3kip h ALA 34 Cb 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3kip h ALA 34 CO -0.37 0.62 0.21 0.00 0.00 0.00 0.00 179.25 179.71 3kip h ALA 35 N 1.17 0.69 0.18 0.00 0.00 -0.00 -1.07 119.26 120.23 3kip h ALA 35 Ca 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kip h ALA 35 Cb 0.43 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3kip h ALA 35 CO 0.01 0.31 -0.13 0.82 0.00 0.00 0.00 179.25 180.26 3kip h ILE 36 N 0.72 0.71 -0.71 0.00 2.04 -0.47 -2.71 117.51 117.09 3kip h ILE 36 Ca 0.18 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.15 3kip h ILE 36 Cb 0.21 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3kip h ILE 36 CO -0.01 0.00 0.47 -0.33 0.00 0.00 0.00 178.15 178.28 3kip h GLU 37 N -0.32 0.50 0.04 2.37 4.39 -0.83 -2.87 114.58 117.87 3kip h GLU 37 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3kip h GLU 37 Cb 0.28 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3kip h GLU 37 CO -0.00 0.33 -0.04 0.37 -1.16 0.00 0.00 179.01 178.51 3kip h GLN 38 N 0.51 -0.08 -0.18 2.33 4.15 -0.86 -1.83 115.11 119.14 3kip h GLN 38 Ca 0.33 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.75 3kip h GLN 38 Cb 0.60 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 3kip h GLN 38 CO -0.11 -0.05 0.07 0.00 -1.93 0.00 0.00 178.83 176.81 3kip h ALA 39 N 0.87 0.24 -0.12 3.38 0.00 -1.52 -2.89 119.26 119.22 3kip h ALA 39 Ca -0.00 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3kip h ALA 39 Cb 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kip h ALA 39 CO -0.00 -0.17 0.09 0.87 0.00 0.00 0.00 179.25 180.04 3kip h LYS 40 N 0.14 0.00 -1.01 0.00 1.57 -1.43 -2.73 116.57 113.11 3kip h LYS 40 Ca 0.06 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.67 3kip h LYS 40 Cb 0.18 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.39 3kip h LYS 40 CO -0.00 0.00 0.21 -0.11 -0.57 0.00 0.00 179.45 178.98 3kip n LEU 41 N -4.31 4.23 -0.07 2.94 7.94 -0.70 -3.06 117.00 123.96 3kip n LEU 41 Ca -0.00 -2.19 0.02 0.00 -1.11 0.00 0.00 56.01 52.73 3kip n LEU 41 Cb 0.21 -0.61 0.03 0.00 0.53 0.00 0.00 43.42 43.58 3kip n LEU 41 CO 0.33 0.68 0.43 0.29 -1.11 0.00 0.00 177.39 178.01 3kip n LYS 42 N -0.02 1.62 -0.40 1.96 5.02 -1.03 -5.03 118.16 120.27 3kip n LYS 42 Ca 0.19 -1.48 0.00 0.00 -2.02 0.00 0.00 58.31 55.01 3kip n LYS 42 Cb 0.88 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.94 3kip n LYS 42 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3kip n ASN 43 N -0.55 0.00 -2.57 4.39 2.85 -1.17 -4.85 115.26 113.35 3kip n ASN 43 Ca 0.04 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.34 3kip n ASN 43 Cb 0.44 -2.25 0.02 0.00 1.24 0.00 0.00 39.78 39.23 3kip n ASN 43 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 3kip n ASN 44 N 0.00 2.92 -4.13 1.20 6.94 -1.26 -4.95 115.26 115.97 3kip n ASN 44 Ca 0.00 -3.13 -0.31 0.00 -0.02 0.00 0.00 54.58 51.12 3kip n ASN 44 Cb 0.00 -0.49 -0.03 0.00 -2.36 0.00 0.00 39.78 36.89 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 -0.28 -1.47 -4.93 0.53 8.00 -1.26 -4.97 116.55 112.17 3kip n ASP 45 Ca 0.23 -1.05 -0.25 0.00 0.71 0.00 0.00 54.79 54.43 3kip n ASP 45 Cb 0.76 -2.71 -0.03 0.00 -0.02 0.00 0.00 41.12 39.12 3kip n ASP 45 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3kip s SER 46 N -3.89 6.20 -0.28 -2.24 0.01 -1.26 -4.75 113.70 107.49 3kip s SER 46 Ca 0.34 0.09 -0.20 0.00 1.31 0.00 0.00 55.95 57.49 3kip s SER 46 Cb -0.19 -1.82 0.09 0.00 0.21 0.00 0.00 66.02 64.31 3kip s SER 46 CO 0.92 0.02 0.77 -0.70 0.41 0.00 0.00 173.24 174.66 3kip s GLU 47 N -3.42 0.70 -0.21 12.44 2.12 -0.70 -4.25 118.70 125.38 3kip s GLU 47 Ca 0.34 1.02 -0.02 0.00 0.36 0.00 0.00 54.97 56.66 3kip s GLU 47 Cb -0.10 0.24 -0.00 0.00 0.26 0.00 0.00 34.13 34.53 3kip s GLU 47 CO 0.28 -0.11 -0.09 0.08 -0.54 0.00 0.00 175.26 174.87 3kip s VAL 48 N 0.99 3.01 0.28 3.70 1.01 -1.26 -0.90 120.40 127.24 3kip s VAL 48 Ca -0.05 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 3kip s VAL 48 Cb -0.05 -2.34 -0.07 0.00 0.00 0.00 0.00 36.38 33.92 3kip s VAL 48 CO -0.10 0.46 0.61 -0.76 0.00 0.00 0.00 175.10 175.31 3kip s LEU 49 N 1.38 4.07 0.17 3.92 1.43 0.13 -4.73 118.68 125.05 3kip s LEU 49 Ca 0.05 0.95 0.11 0.00 -1.03 0.00 0.00 54.13 54.21 3kip s LEU 49 Cb -0.14 -3.75 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 3kip s LEU 49 CO -0.05 -0.17 -0.25 0.68 0.23 0.00 0.00 176.35 176.79 3kip s VAL 50 N -1.99 2.27 -0.15 -1.59 -7.23 -1.26 -0.58 120.40 109.87 3kip s VAL 50 Ca 0.48 -1.92 -0.24 0.00 -1.81 0.00 0.00 61.98 58.49 3kip s VAL 50 Cb -0.11 -2.05 0.06 0.00 0.56 0.00 0.00 36.38 34.84 3kip s VAL 50 CO 0.24 -0.06 0.61 0.12 -0.31 0.00 0.00 175.10 175.70 3kip s PHE 51 N -1.47 -0.62 0.02 2.82 5.36 -0.30 -4.96 117.98 118.82 3kip s PHE 51 Ca 0.18 1.35 -0.12 0.00 -0.96 0.00 0.00 56.93 57.38 3kip s PHE 51 Cb -0.09 0.27 0.01 0.00 -0.34 0.00 0.00 43.02 42.88 3kip s PHE 51 CO 0.08 -0.42 0.25 -1.14 -1.46 0.00 0.00 175.22 172.53 3kip s GLN 52 N -0.33 0.68 -0.14 10.12 -0.44 -1.26 -0.44 119.66 127.86 3kip s GLN 52 Ca -0.05 -0.42 -0.31 0.00 -2.50 0.00 0.00 55.36 52.08 3kip s GLN 52 Cb -0.03 0.29 0.13 0.00 -1.64 0.00 0.00 33.01 31.76 3kip s GLN 52 CO 0.04 -0.19 1.06 0.45 0.50 0.00 0.00 175.29 177.15 3kip s SER 53 N -1.71 -0.27 0.00 6.67 0.15 -1.10 -4.99 113.70 112.44 3kip s SER 53 Ca -0.09 0.16 0.23 0.00 0.70 0.00 0.00 55.95 56.95 3kip s SER 53 Cb -0.03 0.25 0.15 0.00 -1.71 0.00 0.00 66.02 64.68 3kip s SER 53 CO -0.00 -0.35 1.19 0.59 1.20 0.00 0.00 173.24 175.87 3kip n ASN 54 N 0.25 1.90 -4.44 5.45 3.02 -1.26 -2.48 115.26 117.69 3kip n ASN 54 Ca -0.06 -1.43 -0.41 0.00 -0.03 0.00 0.00 54.58 52.65 3kip n ASN 54 Cb 0.59 0.39 -0.11 0.00 -0.61 0.00 0.00 39.78 40.04 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 -2.45 4.94 0.14 3.41 2.01 -1.26 -4.65 115.64 117.78 3kip s THR 55 Ca 0.20 -0.62 -0.18 0.00 0.31 0.00 0.00 61.69 61.40 3kip s THR 55 Cb 0.18 -3.69 0.06 0.00 0.01 0.00 0.00 72.50 69.07 3kip s THR 55 CO 0.55 -0.18 1.15 1.21 -0.69 0.00 0.00 174.62 176.66 3kip n GLU 56 N 5.07 -0.25 -0.02 4.92 2.13 -1.26 -1.54 120.64 129.69 3kip n GLU 56 Ca -0.12 1.14 0.03 0.00 0.66 0.00 0.00 57.16 58.87 3kip n GLU 56 Cb 0.47 -1.68 0.39 0.00 0.27 0.00 0.00 31.44 30.90 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 0.61 2.00 8.31 0.00 -1.99 -0.61 103.07 111.39 3kip h GLY 57 Ca 0.19 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 3kip h GLY 57 CO -0.72 0.24 -0.62 0.74 0.00 0.00 0.00 176.54 176.18 3kip h PHE 58 N 0.58 0.00 -0.12 5.60 0.04 -1.70 0.55 116.94 121.89 3kip h PHE 58 Ca 0.15 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.80 3kip h PHE 58 Cb -0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3kip h PHE 58 CO 0.00 0.62 -0.41 0.82 -0.60 0.00 0.00 178.31 178.74 3kip h ILE 59 N 0.00 1.37 -0.63 -0.55 2.04 -0.87 -1.90 117.51 116.97 3kip h ILE 59 Ca -0.01 -1.72 0.01 0.00 1.00 0.00 0.00 64.86 64.14 3kip h ILE 59 Cb 1.14 2.13 -0.03 0.00 -0.74 0.00 0.00 36.82 39.32 3kip h ILE 59 CO 0.08 0.52 0.41 0.40 0.00 0.00 0.00 178.15 179.56 3kip h ILE 60 N 0.09 1.13 -0.29 -0.67 2.04 -0.72 -0.73 117.51 118.36 3kip h ILE 60 Ca -0.02 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3kip h ILE 60 Cb 1.04 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3kip h ILE 60 CO 0.09 0.15 0.14 0.44 0.00 0.00 0.00 178.15 178.97 3kip h ASP 61 N 0.83 0.35 0.10 1.72 3.32 0.14 -2.25 116.42 120.62 3kip h ASP 61 Ca 0.24 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 3kip h ASP 61 Cb -0.06 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3kip h ASP 61 CO -0.07 0.29 -0.53 -0.09 -1.72 0.00 0.00 179.24 177.13 3kip h ARG 62 N 0.40 0.46 -0.45 3.56 9.65 -0.38 -0.03 114.38 127.59 3kip h ARG 62 Ca 0.10 -0.28 -0.08 0.00 -1.10 0.00 0.00 59.98 58.62 3kip h ARG 62 Cb 0.04 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.63 3kip h ARG 62 CO -0.02 0.88 -0.05 0.82 2.80 0.00 0.00 179.97 184.40 3kip h ILE 63 N 0.36 1.27 -0.22 1.20 2.04 -0.68 -0.57 117.51 120.91 3kip h ILE 63 Ca 0.01 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 64.75 3kip h ILE 63 Cb 1.04 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 3kip h ILE 63 CO 0.09 0.39 0.11 0.45 0.00 0.00 0.00 178.15 179.19 3kip h HIS 64 N 0.67 0.20 -0.55 1.37 3.86 -0.97 -1.98 115.15 117.75 3kip h HIS 64 Ca 0.12 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.41 3kip h HIS 64 Cb 0.57 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.95 3kip h HIS 64 CO 0.04 0.12 0.37 1.49 0.86 0.00 0.00 177.93 180.81 3kip h GLU 65 N 0.24 0.44 -0.38 2.45 4.57 -0.68 -2.01 114.58 119.20 3kip h GLU 65 Ca 0.09 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 3kip h GLU 65 Cb 0.02 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 3kip h GLU 65 CO -0.06 0.29 0.16 0.00 -1.18 0.00 0.00 179.01 178.22 3kip h ALA 66 N 1.71 0.50 0.05 2.92 0.00 -0.35 -0.89 119.26 123.19 3kip h ALA 66 Ca 0.24 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3kip h ALA 66 Cb 0.37 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3kip h ALA 66 CO -0.07 0.09 -0.26 -0.22 0.00 0.00 0.00 179.25 178.79 3kip h LYS 67 N 0.47 -0.41 -1.14 0.00 1.63 -1.03 -0.47 116.57 115.61 3kip h LYS 67 Ca 0.13 0.03 0.32 0.00 -0.85 0.00 0.00 60.65 60.28 3kip h LYS 67 Cb 0.17 0.09 -0.09 0.00 -0.60 0.00 0.00 32.23 31.80 3kip h LYS 67 CO -0.01 -0.28 0.75 0.00 -3.45 0.00 0.00 179.45 176.47 3kip h ARG 68 N -0.43 0.24 0.00 1.90 3.08 -1.23 -1.71 114.38 116.23 3kip h ARG 68 Ca 0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3kip h ARG 68 Cb 0.49 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3kip h ARG 68 CO -0.20 0.16 -0.43 0.94 -1.07 0.00 0.00 179.97 179.37 3kip n GLN 69 N -4.56 0.26 -0.30 0.04 7.27 -0.38 -4.90 117.38 114.81 3kip n GLN 69 Ca 0.29 0.12 0.00 0.00 0.07 0.00 0.00 57.00 57.47 3kip n GLN 69 Cb 1.09 -1.70 0.00 0.00 2.41 0.00 0.00 30.24 32.03 3kip n GLN 69 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kip n GLY 70 N 1.34 0.82 3.68 1.69 0.00 -0.64 -5.02 105.19 107.06 3kip n GLY 70 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 3kip n GLY 70 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kip n VAL 71 N -2.25 0.37 0.60 1.61 0.31 -0.29 -4.81 118.33 113.86 3kip n VAL 71 Ca 0.00 -0.09 0.06 0.00 -0.01 0.00 0.00 64.34 64.30 3kip n VAL 71 Cb 0.00 -1.60 -0.05 0.00 -0.91 0.00 0.00 33.84 31.28 3kip n VAL 71 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kip n GLY 72 N 2.99 -0.17 3.45 2.92 0.00 -0.39 -4.72 105.19 109.28 3kip n GLY 72 Ca 0.15 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 3kip n GLY 72 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kip s PHE 73 N -2.01 -0.55 -0.04 1.61 2.19 -1.22 -4.45 117.98 113.50 3kip s PHE 73 Ca 0.07 0.83 0.04 0.00 0.33 0.00 0.00 56.93 58.20 3kip s PHE 73 Cb 0.10 0.37 -0.00 0.00 -1.31 0.00 0.00 43.02 42.18 3kip s PHE 73 CO 0.46 -0.61 -0.17 0.08 1.83 0.00 0.00 175.22 176.81 3kip s VAL 74 N -1.69 1.39 -0.28 3.12 1.01 -0.82 -1.07 120.40 122.07 3kip s VAL 74 Ca -0.09 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 3kip s VAL 74 Cb -0.01 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.19 3kip s VAL 74 CO 0.05 0.40 0.04 -0.69 0.00 0.00 0.00 175.10 174.90 3kip s VAL 75 N 0.03 3.67 -0.05 2.92 1.01 0.49 -1.59 120.40 126.88 3kip s VAL 75 Ca -0.03 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.23 3kip s VAL 75 Cb -0.11 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.39 3kip s VAL 75 CO 0.02 0.13 -0.17 -0.51 0.00 0.00 0.00 175.10 174.56 3kip s ILE 76 N 1.46 1.47 -0.39 2.22 2.07 -0.21 -0.68 121.20 127.13 3kip s ILE 76 Ca 0.02 -0.73 0.04 0.00 -1.41 0.00 0.00 60.65 58.57 3kip s ILE 76 Cb -0.17 -1.27 0.11 0.00 0.13 0.00 0.00 42.46 41.26 3kip s ILE 76 CO 0.00 0.42 0.12 0.21 -1.91 0.00 0.00 174.94 173.79 3kip s ASN 77 N 0.11 4.69 0.00 4.50 3.84 -0.21 -0.67 114.94 127.20 3kip s ASN 77 Ca -0.06 -2.38 0.31 0.00 0.21 0.00 0.00 52.86 50.94 3kip s ASN 77 Cb -0.12 -1.65 1.86 0.00 -0.55 0.00 0.00 41.25 40.79 3kip s ASN 77 CO 0.03 -0.35 2.19 0.00 -2.79 0.00 0.00 177.10 176.18 3kip n ALA 78 N 3.96 2.66 -0.53 1.71 0.00 -1.26 0.29 120.51 127.34 3kip n ALA 78 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3kip n ALA 78 Cb 0.39 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 0.96 2.63 0.35 0.00 0.00 -1.26 -1.31 105.19 106.55 3kip n GLY 79 Ca 0.23 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.53 1.71 0.00 4.61 0.00 -1.94 -1.36 119.26 121.76 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 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3kip h ALA 80 CO 0.00 0.18 0.32 1.88 0.00 0.00 0.00 179.25 181.64 3kip h TYR 81 N 0.73 0.00 -0.96 0.00 0.05 -1.58 0.17 116.97 115.38 3kip h TYR 81 Ca 0.29 0.00 0.12 0.00 0.05 0.00 0.00 58.73 59.20 3kip h TYR 81 Cb 0.23 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 37.89 3kip h TYR 81 CO -0.00 0.00 0.59 1.15 -1.05 0.00 0.00 178.16 178.85 3kip h THR 82 N 0.00 0.88 -0.01 -2.88 2.02 -1.31 -0.59 112.91 111.02 3kip h THR 82 Ca 0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3kip h THR 82 Cb 0.64 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3kip h THR 82 CO 0.00 0.17 -0.39 1.41 0.37 0.00 0.00 175.52 177.07 3kip n HIS 83 N -4.68 0.00 0.00 3.16 8.25 0.58 -0.89 115.22 121.64 3kip n HIS 83 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 3kip n HIS 83 Cb 0.37 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 -0.43 0.00 -3.44 1.59 -2.24 -1.09 -4.80 114.28 103.87 3kip n THR 84 Ca 0.10 -0.16 -0.44 0.00 -2.27 0.00 0.00 64.05 61.28 3kip n THR 84 Cb 0.40 0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.68 6.25 0.39 3.42 0.15 -0.25 -4.78 113.70 118.21 3kip s SER 85 Ca 0.00 -2.53 0.17 0.00 0.70 0.00 0.00 55.95 54.29 3kip s SER 85 Cb 0.00 -2.11 0.82 0.00 -1.71 0.00 0.00 66.02 63.02 3kip s SER 85 CO 0.00 -0.58 1.83 0.58 1.20 0.00 0.00 173.24 176.27 3kip h VAL 86 N 5.17 1.02 -0.23 4.45 2.07 -1.93 -3.00 116.25 123.79 3kip h VAL 86 Ca -0.00 -1.27 0.06 0.00 0.82 0.00 0.00 66.70 66.30 3kip h VAL 86 Cb 1.03 1.73 -0.07 0.00 -1.52 0.00 0.00 31.29 32.46 3kip h VAL 86 CO 0.79 0.33 -0.31 1.23 0.02 0.00 0.00 177.57 179.63 3kip h GLY 87 N 1.43 -0.34 1.35 2.17 0.00 -1.97 -0.30 103.07 105.40 3kip h GLY 87 Ca -0.00 0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.67 3kip h GLY 87 CO 0.04 -0.21 0.14 -2.22 0.00 0.00 0.00 176.54 174.30 3kip h ILE 88 N -0.33 1.22 0.10 2.60 2.04 -1.89 -1.63 117.51 119.61 3kip h ILE 88 Ca 0.12 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3kip h ILE 88 Cb 0.53 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3kip h ILE 88 CO -0.41 0.30 -0.07 -0.09 0.00 0.00 0.00 178.15 177.87 3kip h ARG 89 N 0.80 -0.17 0.00 2.37 2.43 -1.27 -1.91 114.38 116.63 3kip h ARG 89 Ca 0.18 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 3kip h ARG 89 Cb 0.27 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3kip h ARG 89 CO -0.00 -0.11 -0.24 -0.44 -1.51 0.00 0.00 179.97 177.66 3kip h ASP 90 N -0.18 0.00 -0.46 -3.80 5.19 -0.82 -1.68 116.42 114.67 3kip h ASP 90 Ca -0.00 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.31 3kip h ASP 90 Cb 0.16 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 3kip h ASP 90 CO -0.01 0.24 -0.11 0.00 -3.12 0.00 0.00 179.24 176.25 3kip h ALA 91 N 1.76 0.64 -0.37 3.45 0.00 -0.72 0.78 119.26 124.80 3kip h ALA 91 Ca -0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 3kip h ALA 91 Cb 0.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kip h ALA 91 CO 0.03 0.53 -0.05 -0.07 0.00 0.00 0.00 179.25 179.70 3kip h LEU 92 N 0.73 0.68 -0.39 0.00 3.38 -0.59 -1.07 115.31 118.05 3kip h LEU 92 Ca 0.12 -0.34 -0.16 0.00 0.09 0.00 0.00 57.88 57.59 3kip h LEU 92 Cb 0.65 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3kip h LEU 92 CO 0.04 0.85 -0.37 -0.07 0.09 0.00 0.00 178.44 178.99 3kip h LEU 93 N 0.48 1.00 -1.60 1.67 3.38 -1.39 -0.13 115.31 118.71 3kip h LEU 93 Ca 0.10 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 57.65 3kip h LEU 93 Cb 0.54 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3kip h LEU 93 CO 0.03 1.25 0.33 1.23 0.09 0.00 0.00 178.44 181.37 3kip h GLY 94 N 0.76 0.60 -0.68 0.83 0.00 -0.58 -1.78 103.07 102.21 3kip h GLY 94 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3kip h GLY 94 CO 0.09 0.17 -0.61 -1.30 0.00 0.00 0.00 176.54 174.90 3kip n THR 95 N -4.47 0.00 -1.90 4.70 -2.24 -0.43 -4.98 114.28 104.96 3kip n THR 95 Ca 0.06 -0.19 -0.18 0.00 -2.27 0.00 0.00 64.05 61.47 3kip n THR 95 Cb 0.18 1.15 -0.05 0.00 -2.10 0.00 0.00 70.33 69.51 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 -0.44 -0.40 -2.69 6.98 0.00 -0.07 -4.98 120.51 118.92 3kip n ALA 96 Ca 0.08 0.23 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 3kip n ALA 96 Cb 0.43 -1.93 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 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 -2.79 4.80 0.68 0.00 1.01 -1.15 -5.04 121.20 118.71 3kip s ILE 97 Ca 0.00 2.01 -0.16 0.00 0.00 0.00 0.00 60.65 62.50 3kip s ILE 97 Cb 0.00 -4.30 0.01 0.00 0.01 0.00 0.00 42.46 38.18 3kip s ILE 97 CO 0.00 0.02 1.21 -2.84 0.00 0.00 0.00 174.94 173.33 3kip s PRO 98 N 1.94 2.45 0.10 2.79 0.02 -1.26 -4.77 135.00 136.26 3kip s PRO 98 Ca 0.48 1.77 -0.16 0.00 0.02 0.00 0.00 61.00 63.11 3kip s PRO 98 Cb -0.18 -1.87 0.03 0.00 0.02 0.00 0.00 34.50 32.50 3kip s PRO 98 CO 0.18 -1.60 0.40 -0.59 -0.33 0.00 0.00 177.00 175.06 3kip s PHE 99 N -1.86 -0.21 0.01 6.54 -0.71 -1.26 -1.94 117.98 118.55 3kip s PHE 99 Ca 0.75 -0.03 0.08 0.00 -1.04 0.00 0.00 56.93 56.69 3kip s PHE 99 Cb -0.30 0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.72 3kip s PHE 99 CO 0.41 -0.66 -0.24 0.42 -1.34 0.00 0.00 175.22 173.82 3kip s ILE 100 N -3.41 2.27 -0.18 -4.49 1.01 -0.62 -0.20 121.20 115.57 3kip s ILE 100 Ca 0.01 -1.18 -0.05 0.00 0.00 0.00 0.00 60.65 59.42 3kip s ILE 100 Cb 0.01 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 3kip s ILE 100 CO -0.09 0.48 0.01 -0.70 0.00 0.00 0.00 174.94 174.64 3kip s GLU 101 N -0.94 3.75 -0.03 2.79 2.12 -0.88 -1.05 118.70 124.46 3kip s GLU 101 Ca 0.11 -0.46 0.07 0.00 0.36 0.00 0.00 54.97 55.05 3kip s GLU 101 Cb -0.10 -3.07 -0.02 0.00 0.26 0.00 0.00 34.13 31.20 3kip s GLU 101 CO 0.01 0.17 -0.25 0.08 -0.54 0.00 0.00 175.26 174.73 3kip s VAL 102 N 0.60 2.10 -0.06 3.70 1.01 0.15 -1.13 120.40 126.77 3kip s VAL 102 Ca -0.00 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 60.91 3kip s VAL 102 Cb -0.14 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.53 3kip s VAL 102 CO 0.02 0.58 -0.08 -1.00 0.00 0.00 0.00 175.10 174.62 3kip s HIS 103 N -0.49 1.15 0.15 5.22 3.76 -0.03 -4.32 115.29 120.74 3kip s HIS 103 Ca 0.06 -0.42 -0.13 0.00 -0.15 0.00 0.00 55.06 54.42 3kip s HIS 103 Cb -0.11 -0.92 0.04 0.00 1.11 0.00 0.00 32.58 32.70 3kip s HIS 103 CO 0.00 -0.27 1.69 0.82 -0.85 0.00 0.00 174.74 176.13 3kip h ILE 104 N 6.07 1.23 -1.80 0.60 2.04 -1.87 -2.33 117.51 121.45 3kip h ILE 104 Ca -0.33 -0.75 -0.49 0.00 1.00 0.00 0.00 64.86 64.29 3kip h ILE 104 Cb 1.17 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 3kip h ILE 104 CO 0.46 0.28 -0.43 0.42 0.00 0.00 0.00 178.15 178.88 3kip s THR 105 N -5.44 3.44 -0.87 -0.27 -4.23 -1.26 -1.78 115.64 105.23 3kip s THR 105 Ca -0.13 -1.34 -0.23 0.00 -1.18 0.00 0.00 61.69 58.81 3kip s THR 105 Cb 0.12 -3.17 0.06 0.00 1.34 0.00 0.00 72.50 70.85 3kip s THR 105 CO 0.79 -0.15 1.26 0.21 -0.54 0.00 0.00 174.62 176.19 3kip s ASN 106 N -4.03 6.38 0.46 3.99 3.04 -1.26 -3.34 114.94 120.18 3kip s ASN 106 Ca 0.42 -1.21 0.26 0.00 0.04 0.00 0.00 52.86 52.37 3kip s ASN 106 Cb -0.06 -2.51 1.30 0.00 -1.54 0.00 0.00 41.25 38.45 3kip s ASN 106 CO 0.27 -1.51 1.78 0.58 -3.04 0.00 0.00 177.10 175.19 3kip h VAL 107 N 6.28 0.46 0.00 -5.21 2.07 -1.92 -0.06 116.25 117.87 3kip h VAL 107 Ca -0.02 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3kip h VAL 107 Cb 1.03 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3kip h VAL 107 CO 1.29 0.04 0.00 0.45 0.02 0.00 0.00 177.57 179.37 3kip h HIS 108 N 0.21 0.00 0.00 1.57 3.86 -1.88 -0.31 115.15 118.60 3kip h HIS 108 Ca 0.59 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.75 3kip h HIS 108 Cb 1.85 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.32 3kip h HIS 108 CO -0.00 0.00 -0.25 1.96 0.86 0.00 0.00 177.93 180.50 3kip h GLN 109 N 0.00 0.00 0.00 2.45 4.20 -1.41 -3.47 115.11 116.88 3kip h GLN 109 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kip h GLN 109 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3kip h GLN 109 CO 0.00 0.25 0.00 0.54 -0.67 0.00 0.00 178.83 178.95 3kip n ARG 110 N -3.61 1.29 -1.89 1.46 1.74 -0.13 -4.99 116.66 110.53 3kip n ARG 110 Ca -0.01 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.68 3kip n ARG 110 Cb 0.38 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.84 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 -0.23 3.64 0.20 5.56 8.01 -1.26 -4.90 118.70 129.71 3kip s GLU 111 Ca 0.00 2.27 -0.15 0.00 0.01 0.00 0.00 54.97 57.10 3kip s GLU 111 Cb 0.00 -2.58 0.21 0.00 -4.31 0.00 0.00 34.13 27.45 3kip s GLU 111 CO 0.00 -0.80 1.32 -2.30 0.01 0.00 0.00 175.26 173.49 3kip n PRO 112 N -0.32 -0.20 0.30 0.39 -0.02 -1.26 -0.59 135.00 133.31 3kip n PRO 112 Ca 0.06 1.31 0.10 0.00 -2.02 0.00 0.00 63.50 62.95 3kip n PRO 112 Cb 0.43 -1.95 0.51 0.00 -0.02 0.00 0.00 33.50 32.48 3kip n PRO 112 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3kip h PHE 113 N 0.00 0.00 -0.00 6.00 -5.15 -1.97 1.00 116.94 116.82 3kip h PHE 113 Ca 0.30 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.07 3kip h PHE 113 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.68 3kip h PHE 113 CO -0.75 0.00 -0.44 0.54 -2.00 0.00 0.00 178.31 175.67 3kip n ARG 114 N -2.62 0.45 0.01 6.09 1.74 0.25 -3.32 116.66 119.26 3kip n ARG 114 Ca -0.01 -0.29 0.11 0.00 -0.77 0.00 0.00 57.85 56.89 3kip n ARG 114 Cb 0.54 -1.49 0.48 0.00 -1.02 0.00 0.00 32.46 30.96 3kip n ARG 114 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3kip n HIS 115 N -1.02 0.05 -3.43 -1.55 8.25 0.35 -4.70 115.22 113.16 3kip n HIS 115 Ca 0.09 0.02 -0.37 0.00 -0.26 0.00 0.00 57.72 57.19 3kip n HIS 115 Cb 0.35 -0.53 -0.06 0.00 1.12 0.00 0.00 29.99 30.87 3kip n HIS 115 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3kip s GLN 116 N -3.01 4.27 0.05 -0.41 -1.52 -1.21 -5.09 119.66 112.73 3kip s GLN 116 Ca 0.11 0.28 0.07 0.00 -1.95 0.00 0.00 55.36 53.86 3kip s GLN 116 Cb 0.15 -3.42 -0.03 0.00 -0.22 0.00 0.00 33.01 29.49 3kip s GLN 116 CO 0.42 0.23 -0.20 0.45 -0.25 0.00 0.00 175.29 175.94 3kip s SER 117 N 0.44 2.35 0.00 5.90 0.15 -1.26 -4.37 113.70 116.91 3kip s SER 117 Ca 0.21 -0.53 0.27 0.00 0.70 0.00 0.00 55.95 56.61 3kip s SER 117 Cb -0.14 -0.18 0.89 0.00 -1.71 0.00 0.00 66.02 64.87 3kip s SER 117 CO 0.07 0.13 1.65 -1.22 1.20 0.00 0.00 173.24 175.07 3kip n TYR 118 N 1.79 0.01 -0.11 3.44 4.01 -0.07 -4.25 117.16 121.97 3kip n TYR 118 Ca -0.18 -0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.43 3kip n TYR 118 Cb 0.54 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.42 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 0.40 1.12 -0.02 7.72 4.77 -1.26 -4.69 117.00 125.03 3kip n LEU 119 Ca 0.18 -0.05 0.11 0.00 -0.03 0.00 0.00 56.01 56.22 3kip n LEU 119 Cb 0.40 -0.03 0.52 0.00 -2.33 0.00 0.00 43.42 41.98 3kip n LEU 119 CO 0.16 0.66 1.17 0.28 -1.33 0.00 0.00 177.39 178.33 3kip h SER 120 N 0.00 0.31 0.72 -1.43 0.02 -1.95 -0.32 113.55 110.90 3kip h SER 120 Ca -0.55 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 3kip h SER 120 Cb 2.10 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.58 3kip h SER 120 CO -0.01 0.20 0.00 -0.90 -1.14 0.00 0.00 176.83 174.97 3kip n ASP 121 N -4.47 0.00 -0.08 3.07 5.75 -1.26 -3.40 116.55 116.16 3kip n ASP 121 Ca 0.07 0.16 0.03 0.00 -0.01 0.00 0.00 54.79 55.04 3kip n ASP 121 Cb 0.30 -0.38 -0.02 0.00 -1.03 0.00 0.00 41.12 39.99 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 -1.38 3.54 -2.23 0.11 4.76 -0.20 -5.02 118.16 117.75 3kip n LYS 122 Ca 0.10 -0.25 -0.32 0.00 -2.87 0.00 0.00 58.31 54.97 3kip n LYS 122 Cb 0.27 -0.90 -0.01 0.00 -1.84 0.00 0.00 35.03 32.54 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 -1.36 2.92 0.24 7.82 0.00 -0.80 -4.78 121.76 125.78 3kip s ALA 123 Ca 0.04 0.27 -0.06 0.00 0.00 0.00 0.00 51.96 52.21 3kip s ALA 123 Cb 0.05 -3.17 0.23 0.00 0.00 0.00 0.00 23.12 20.23 3kip s ALA 123 CO 0.23 -0.50 1.84 0.28 0.00 0.00 0.00 175.76 177.61 3kip h VAL 124 N 0.68 1.26 -2.84 0.00 2.07 -0.94 -3.46 116.25 113.02 3kip h VAL 124 Ca -0.47 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.30 3kip h VAL 124 Cb 1.20 0.14 -0.16 0.00 -1.52 0.00 0.00 31.29 30.95 3kip h VAL 124 CO 0.60 0.30 -0.00 0.00 0.02 0.00 0.00 177.57 178.48 3kip s ALA 125 N -5.73 -1.24 -0.05 1.67 0.00 -1.26 -5.07 121.76 110.08 3kip s ALA 125 Ca -0.12 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.37 3kip s ALA 125 Cb 0.17 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.67 3kip s ALA 125 CO 0.83 -0.49 -0.09 0.08 0.00 0.00 0.00 175.76 176.08 3kip s VAL 126 N -2.45 0.88 -0.14 0.00 1.01 -1.26 -2.07 120.40 116.36 3kip s VAL 126 Ca -0.05 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3kip s VAL 126 Cb -0.01 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.57 3kip s VAL 126 CO -0.02 0.29 -0.18 -0.63 0.00 0.00 0.00 175.10 174.56 3kip s ILE 127 N 0.56 1.78 -0.11 2.22 1.01 -0.28 -4.99 121.20 121.39 3kip s ILE 127 Ca -0.10 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 3kip s ILE 127 Cb -0.13 -1.61 0.05 0.00 0.01 0.00 0.00 42.46 40.77 3kip s ILE 127 CO 0.02 0.50 0.26 0.00 0.00 0.00 0.00 174.94 175.72 3kip n GLY 129 N 4.19 1.10 0.97 0.00 0.00 -0.88 -4.69 105.19 105.89 3kip n GLY 129 Ca -0.25 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 2.80 0.00 0.99 7.94 -1.24 -4.72 117.00 122.78 3kip n LEU 130 Ca 0.00 -1.41 0.00 0.00 -1.11 0.00 0.00 56.01 53.49 3kip n LEU 130 Cb 0.00 -0.40 0.00 0.00 0.53 0.00 0.00 43.42 43.55 3kip n LEU 130 CO 0.00 0.53 0.00 0.61 -1.11 0.00 0.00 177.39 177.42 3kip n GLY 131 N 0.87 1.48 0.29 -3.96 0.00 -0.73 -3.29 105.19 99.85 3kip n GLY 131 Ca 0.15 -0.54 0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 0.01 0.00 1.61 2.07 -1.95 -2.17 116.25 115.82 3kip h VAL 132 Ca 0.00 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 3kip h VAL 132 Cb 0.00 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3kip h VAL 132 CO 0.00 0.00 -0.18 0.22 0.02 0.00 0.00 177.57 177.64 3kip h TYR 133 N 0.00 0.00 -0.69 1.57 3.20 -1.95 -2.56 116.97 116.53 3kip h TYR 133 Ca -0.00 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.05 3kip h TYR 133 Cb 0.39 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 3kip h TYR 133 CO 0.00 0.18 0.48 0.78 -1.64 0.00 0.00 178.16 177.96 3kip h GLY 134 N 1.42 0.26 1.42 1.82 0.00 -1.42 0.60 103.07 107.16 3kip h GLY 134 Ca -0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 47.33 47.07 3kip h GLY 134 CO 0.02 0.02 -0.70 -0.97 0.00 0.00 0.00 176.54 174.91 3kip h TYR 135 N 0.15 0.77 -0.11 5.60 0.05 -1.67 -2.45 116.97 119.31 3kip h TYR 135 Ca 0.34 -0.32 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 3kip h TYR 135 Cb 1.12 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 38.73 3kip h TYR 135 CO -0.00 1.10 0.00 1.15 -1.05 0.00 0.00 178.16 179.36 3kip h THR 136 N 0.41 1.25 -0.25 -2.88 2.02 -1.06 -0.80 112.91 111.61 3kip h THR 136 Ca -0.03 -0.79 0.06 0.00 0.77 0.00 0.00 66.41 66.42 3kip h THR 136 Cb 1.29 1.56 -0.08 0.00 -1.74 0.00 0.00 68.15 69.18 3kip h THR 136 CO 0.13 0.23 -0.37 0.00 0.37 0.00 0.00 175.52 175.88 3kip h ALA 137 N 0.75 -0.39 -0.90 6.16 0.00 -1.32 0.80 119.26 124.36 3kip h ALA 137 Ca 0.03 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kip h ALA 137 Cb 0.35 0.73 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 3kip h ALA 137 CO 0.01 -0.83 0.58 0.00 0.00 0.00 0.00 179.25 179.01 3kip h ALA 138 N 0.42 1.34 -0.29 0.00 0.00 -1.33 -1.62 119.26 117.78 3kip h ALA 138 Ca 0.12 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3kip h ALA 138 Cb 0.57 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kip h ALA 138 CO -0.45 0.60 -0.40 0.82 0.00 0.00 0.00 179.25 179.82 3kip h ILE 139 N 1.22 1.29 -0.68 0.00 2.04 -0.28 -0.18 117.51 120.92 3kip h ILE 139 Ca 0.33 -1.58 0.08 0.00 1.00 0.00 0.00 64.86 64.69 3kip h ILE 139 Cb -0.12 1.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 3kip h ILE 139 CO -0.07 0.51 0.34 -0.33 0.00 0.00 0.00 178.15 178.60 3kip h GLU 140 N 0.58 0.58 -0.23 2.37 4.39 -0.27 -1.75 114.58 120.24 3kip h GLU 140 Ca 0.05 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 3kip h GLU 140 Cb 0.94 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 3kip h GLU 140 CO 0.09 0.38 -0.28 -0.92 -1.16 0.00 0.00 179.01 177.12 3kip h TYR 141 N 0.60 0.72 -0.32 4.33 5.03 -0.76 -2.67 116.97 123.89 3kip h TYR 141 Ca 0.33 -0.23 0.07 0.00 2.58 0.00 0.00 58.73 61.48 3kip h TYR 141 Cb 0.32 -0.15 -0.08 0.00 1.55 0.00 0.00 36.73 38.37 3kip h TYR 141 CO -0.11 0.95 -0.25 0.00 -1.32 0.00 0.00 178.16 177.43 3kip h ALA 142 N 0.65 -0.09 0.00 1.82 0.00 -0.77 -1.41 119.26 119.46 3kip h ALA 142 Ca 0.03 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kip h ALA 142 Cb 0.85 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3kip h ALA 142 CO 0.07 -0.66 0.00 1.28 0.00 0.00 0.00 179.25 179.94 3kip n LEU 143 N -5.39 0.00 -0.76 0.00 4.77 -0.68 -1.82 117.00 113.11 3kip n LEU 143 Ca 0.00 0.40 0.09 0.00 -0.03 0.00 0.00 56.01 56.47 3kip n LEU 143 Cb 0.30 -0.40 0.11 0.00 -2.33 0.00 0.00 43.42 41.10 3kip n LEU 143 CO 0.12 -0.22 0.56 0.59 -1.33 0.00 0.00 177.39 177.11 3kip n ASN 144 N -1.40 2.66 -4.69 -1.43 5.03 -0.56 -4.34 115.26 110.54 3kip n ASN 144 Ca 0.05 -1.78 -0.42 0.00 0.87 0.00 0.00 54.58 53.29 3kip n ASN 144 Cb 0.13 -0.07 -0.03 0.00 -1.02 0.00 0.00 39.78 38.79 3kip n ASN 144 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3kip s TYR 145 N -1.37 2.81 -0.53 3.10 5.04 -0.76 -4.83 117.35 120.81 3kip s TYR 145 Ca 0.24 0.80 -0.28 0.00 -2.44 0.00 0.00 57.07 55.39 3kip s TYR 145 Cb 0.15 -3.67 0.01 0.00 0.35 0.00 0.00 41.96 38.81 3kip s TYR 145 CO 0.23 -2.47 1.49 -1.14 -1.34 0.00 0.00 175.55 172.31 3kip s GLN 146 N 2.53 3.27 0.00 4.97 0.74 -1.26 -2.28 119.66 127.63 3kip s GLN 146 Ca 0.64 0.59 0.00 0.00 0.05 0.00 0.00 55.36 56.64 3kip s GLN 146 Cb -0.31 -4.15 0.00 0.00 1.10 0.00 0.00 33.01 29.65 3kip s GLN 146 CO 0.26 -1.97 0.00 -0.11 -0.55 0.00 0.00 175.29 172.92