#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 2.08 0.00 1.96 1.01 -0.84 -4.89 120.40 119.73 3kip s VAL 1 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3kip s VAL 1 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3kip s VAL 1 CO 0.00 0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.41 3kip n LYS 2 N 1.00 0.00 -3.42 2.72 5.02 -1.26 -4.74 118.16 117.48 3kip n LYS 2 Ca 0.03 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.94 3kip n LYS 2 Cb 0.39 -0.69 -0.07 0.00 -0.02 0.00 0.00 35.03 34.63 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 -1.72 4.18 -0.02 1.97 2.47 -1.26 -1.71 119.74 123.65 3kip s LYS 3 Ca 0.00 0.17 0.04 0.00 -1.56 0.00 0.00 55.97 54.62 3kip s LYS 3 Cb 0.00 -3.52 -0.01 0.00 -1.46 0.00 0.00 37.83 32.84 3kip s LYS 3 CO 0.00 0.01 -0.14 0.08 0.16 0.00 0.00 175.35 175.46 3kip s VAL 4 N 1.16 1.12 -0.16 4.02 1.01 -0.55 -1.07 120.40 125.94 3kip s VAL 4 Ca 0.18 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 3kip s VAL 4 Cb -0.14 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 3kip s VAL 4 CO 0.07 0.32 -0.09 -0.22 0.00 0.00 0.00 175.10 175.19 3kip s LEU 5 N -0.15 2.87 -0.16 3.92 2.96 -0.54 -0.57 118.68 127.01 3kip s LEU 5 Ca 0.02 -0.30 -0.13 0.00 -0.22 0.00 0.00 54.13 53.50 3kip s LEU 5 Cb -0.07 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 3kip s LEU 5 CO 0.00 0.12 0.28 -0.22 -1.32 0.00 0.00 176.35 175.21 3kip s LEU 6 N 0.61 4.24 -0.08 -0.68 2.96 0.25 -0.38 118.68 125.60 3kip s LEU 6 Ca -0.05 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 3kip s LEU 6 Cb -0.15 -2.35 0.02 0.00 0.50 0.00 0.00 46.19 44.21 3kip s LEU 6 CO 0.03 0.11 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.45 3kip s ILE 7 N 0.44 0.96 -0.07 6.68 1.01 -0.57 -0.35 121.20 129.29 3kip s ILE 7 Ca 0.16 -0.31 0.04 0.00 0.00 0.00 0.00 60.65 60.54 3kip s ILE 7 Cb -0.13 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 3kip s ILE 7 CO 0.03 0.34 -0.19 0.20 0.00 0.00 0.00 174.94 175.32 3kip s ASN 8 N 1.20 3.60 0.00 3.58 -0.87 0.24 -1.06 114.94 121.63 3kip s ASN 8 Ca -0.05 -0.36 0.00 0.00 -1.57 0.00 0.00 52.86 50.88 3kip s ASN 8 Cb -0.14 -0.98 0.00 0.00 -0.02 0.00 0.00 41.25 40.11 3kip s ASN 8 CO -0.02 0.27 0.00 0.61 -2.57 0.00 0.00 177.10 175.38 3kip n GLY 9 N 2.82 0.95 3.56 0.66 0.00 -0.31 -2.42 105.19 110.46 3kip n GLY 9 Ca -0.17 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 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 1.13 0.00 1.61 -0.04 -0.98 -2.61 135.00 134.10 3kip n PRO 10 Ca 0.00 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 3kip n PRO 10 Cb 0.00 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 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 0.85 0.00 0.15 3.54 3.02 -1.26 -4.48 115.26 117.08 3kip n ASN 11 Ca 0.10 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.70 3kip n ASN 11 Cb 0.37 -0.17 0.50 0.00 -0.61 0.00 0.00 39.78 39.87 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 0.18 -2.16 3.41 3.38 -1.86 0.25 115.31 118.51 3kip h LEU 12 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kip h LEU 12 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3kip h LEU 12 CO 0.00 0.22 0.13 -0.55 0.09 0.00 0.00 178.44 178.32 3kip h ASN 13 N 0.20 0.00 0.35 -0.43 -1.07 -1.86 -2.63 115.58 110.14 3kip h ASN 13 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.42 3kip h ASN 13 Cb 0.13 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.38 3kip h ASN 13 CO 0.00 0.00 -0.11 0.18 0.07 0.00 0.00 177.43 177.57 3kip n LEU 14 N -2.74 0.49 -4.81 6.14 4.77 0.89 -4.70 117.00 117.04 3kip n LEU 14 Ca -0.02 -0.01 -0.34 0.00 -0.03 0.00 0.00 56.01 55.61 3kip n LEU 14 Cb 0.18 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 3kip n LEU 14 CO 0.14 0.09 0.67 -1.48 -1.33 0.00 0.00 177.39 175.49 3kip s LEU 15 N -2.46 3.96 -0.28 2.23 2.34 -0.99 -2.16 118.68 121.32 3kip s LEU 15 Ca 0.29 1.78 -0.00 0.00 0.06 0.00 0.00 54.13 56.26 3kip s LEU 15 Cb 0.20 -4.48 0.05 0.00 -0.56 0.00 0.00 46.19 41.40 3kip s LEU 15 CO 0.47 -0.45 -0.04 -0.83 -1.06 0.00 0.00 176.35 174.44 3kip s GLY 16 N -2.04 1.70 0.00 -3.48 0.00 -1.11 -3.34 107.32 99.04 3kip s GLY 16 Ca 0.62 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.63 3kip s GLY 16 CO 0.16 0.64 0.31 2.41 0.00 0.00 0.00 173.10 176.62 3kip n THR 17 N 4.57 0.00 -0.06 0.90 -1.04 -0.92 -4.68 114.28 113.06 3kip n THR 17 Ca -0.14 -0.45 -0.10 0.00 -2.04 0.00 0.00 64.05 61.31 3kip n THR 17 Cb 0.44 1.07 -0.05 0.00 -1.82 0.00 0.00 70.33 69.96 3kip n THR 17 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3kip n ARG 18 N -0.28 0.29 0.00 -2.82 0.63 -1.26 -5.20 116.66 108.01 3kip n ARG 18 Ca 0.00 0.09 0.01 0.00 -0.92 0.00 0.00 57.85 57.03 3kip n ARG 18 Cb 0.02 -1.12 0.00 0.00 0.45 0.00 0.00 32.46 31.81 3kip n ARG 18 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 3kip n TYR 23 N -3.14 0.00 -2.66 -0.14 -0.00 -1.26 -5.11 117.16 104.85 3kip n TYR 23 Ca -0.23 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.44 3kip n TYR 23 Cb 0.71 0.00 0.03 0.00 -0.00 0.00 0.00 39.34 40.08 3kip n TYR 23 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 3kip s GLY 24 N -0.38 1.70 0.00 2.98 0.00 -1.26 -4.92 107.32 105.43 3kip s GLY 24 Ca 0.01 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.63 3kip s GLY 24 CO 0.03 -0.84 0.05 -1.30 0.00 0.00 0.00 173.10 171.03 3kip n THR 25 N -2.36 0.00 -2.37 0.90 -2.24 -1.26 -4.46 114.28 102.49 3kip n THR 25 Ca 0.05 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.40 3kip n THR 25 Cb 0.59 -0.45 -0.02 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 -1.94 4.03 0.71 4.28 2.01 -1.26 -4.51 115.64 118.96 3kip s THR 26 Ca 0.00 1.14 -0.07 0.00 0.31 0.00 0.00 61.69 63.06 3kip s THR 26 Cb 0.00 -4.12 0.06 0.00 0.01 0.00 0.00 72.50 68.45 3kip s THR 26 CO 0.00 -0.54 1.03 -0.94 -0.69 0.00 0.00 174.62 173.48 3kip s SER 27 N 3.25 4.81 0.18 3.53 1.04 -1.26 -2.74 113.70 122.51 3kip s SER 27 Ca 0.59 0.49 0.03 0.00 0.48 0.00 0.00 55.95 57.54 3kip s SER 27 Cb -0.17 -1.13 0.06 0.00 0.10 0.00 0.00 66.02 64.88 3kip s SER 27 CO 0.26 -1.61 1.43 0.25 0.98 0.00 0.00 173.24 174.55 3kip h LEU 28 N -0.63 0.26 -1.44 2.42 5.85 -1.81 -2.71 115.31 117.25 3kip h LEU 28 Ca -0.45 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.03 3kip h LEU 28 Cb 1.32 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3kip h LEU 28 CO 0.61 0.95 -0.18 -1.28 -0.34 0.00 0.00 178.44 178.20 3kip h SER 29 N 0.13 0.13 -0.63 1.25 0.87 -1.93 -1.44 113.55 111.92 3kip h SER 29 Ca -0.03 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 3kip h SER 29 Cb 1.40 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.29 3kip h SER 29 CO 0.12 0.33 0.41 0.44 -0.53 0.00 0.00 176.83 177.60 3kip h ASP 30 N 0.13 0.73 -0.20 6.23 3.32 -1.86 -0.20 116.42 124.57 3kip h ASP 30 Ca 0.03 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3kip h ASP 30 Cb 0.41 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3kip h ASP 30 CO 0.03 0.54 -0.14 0.40 -1.72 0.00 0.00 179.24 178.34 3kip h ILE 31 N 0.85 1.32 0.41 0.35 2.04 -1.32 0.26 117.51 121.43 3kip h ILE 31 Ca 0.23 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 3kip h ILE 31 Cb -0.09 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3kip h ILE 31 CO -0.05 0.38 -0.40 -0.33 0.00 0.00 0.00 178.15 177.76 3kip h GLU 32 N 0.13 -0.79 -0.26 2.37 5.08 -1.18 -1.48 114.58 118.45 3kip h GLU 32 Ca 0.04 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3kip h GLU 32 Cb 0.66 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 3kip h GLU 32 CO 0.04 -0.53 0.06 1.96 -1.00 0.00 0.00 179.01 179.54 3kip h GLN 33 N -0.82 0.16 -0.62 2.33 1.08 -0.79 -1.58 115.11 114.87 3kip h GLN 33 Ca -0.04 -0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.28 3kip h GLN 33 Cb 0.73 -0.04 -0.10 0.00 -0.05 0.00 0.00 27.48 28.02 3kip h GLN 33 CO -0.05 0.11 0.04 0.00 -0.95 0.00 0.00 178.83 177.98 3kip h ALA 34 N 1.18 0.65 -0.52 3.87 0.00 -0.30 -1.79 119.26 122.36 3kip h ALA 34 Ca 0.12 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 3kip h ALA 34 Cb 0.11 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3kip h ALA 34 CO -0.15 -0.37 0.06 0.00 0.00 0.00 0.00 179.25 178.79 3kip h ALA 35 N 1.54 0.70 -0.95 0.00 0.00 -0.84 -1.39 119.26 118.32 3kip h ALA 35 Ca 0.33 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3kip h ALA 35 Cb 0.52 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3kip h ALA 35 CO -0.49 0.47 0.62 0.82 0.00 0.00 0.00 179.25 180.66 3kip h ILE 36 N 0.77 1.12 0.01 0.00 2.04 -0.48 -2.24 117.51 118.72 3kip h ILE 36 Ca 0.16 -0.39 -0.19 0.00 1.00 0.00 0.00 64.86 65.44 3kip h ILE 36 Cb 0.45 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 3kip h ILE 36 CO 0.02 0.21 -0.87 -0.33 0.00 0.00 0.00 178.15 177.18 3kip h GLU 37 N 1.14 0.07 -0.34 2.37 4.39 -1.21 -2.32 114.58 118.69 3kip h GLU 37 Ca 0.39 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 60.07 3kip h GLU 37 Cb 0.10 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.71 3kip h GLU 37 CO -0.14 0.89 -0.05 0.37 -1.16 0.00 0.00 179.01 178.92 3kip h GLN 38 N 0.04 0.03 -0.25 2.33 4.15 -0.65 0.28 115.11 121.04 3kip h GLN 38 Ca -0.02 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 3kip h GLN 38 Cb 1.51 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.18 3kip h GLN 38 CO 0.12 0.02 0.07 0.00 -1.93 0.00 0.00 178.83 177.12 3kip h ALA 39 N 1.32 0.33 -0.49 3.38 0.00 -1.48 -3.12 119.26 119.19 3kip h ALA 39 Ca 0.16 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3kip h ALA 39 Cb 0.24 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3kip h ALA 39 CO -0.32 -0.04 0.22 0.87 0.00 0.00 0.00 179.25 179.99 3kip h LYS 40 N 0.23 0.42 0.00 0.00 1.57 -0.87 -1.71 116.57 116.22 3kip h LYS 40 Ca 0.08 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kip h LYS 40 Cb 0.25 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 3kip h LYS 40 CO -0.00 0.28 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.07 3kip h LEU 41 N 0.44 0.00 -1.36 2.94 3.38 -0.90 -2.88 115.31 116.93 3kip h LEU 41 Ca 0.23 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.23 3kip h LEU 41 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3kip h LEU 41 CO -0.19 0.01 0.46 0.11 0.09 0.00 0.00 178.44 178.92 3kip h LYS 42 N 0.00 0.82 0.00 1.13 1.79 -1.31 -3.46 116.57 115.54 3kip h LYS 42 Ca -0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3kip h LYS 42 Cb 0.07 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 3kip h LYS 42 CO 0.00 0.54 0.00 -1.71 -1.08 0.00 0.00 179.45 177.20 3kip n ASN 43 N -4.45 0.00 -1.79 0.86 5.15 -1.09 -4.95 115.26 108.99 3kip n ASN 43 Ca 0.08 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.95 3kip n ASN 43 Cb 0.11 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.37 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 0.34 6.00 -3.36 1.20 6.94 -1.26 -4.87 115.26 120.25 3kip n ASN 44 Ca 0.00 -2.81 -0.21 0.00 -0.02 0.00 0.00 54.58 51.55 3kip n ASN 44 Cb 0.00 -1.11 0.01 0.00 -2.36 0.00 0.00 39.78 36.31 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 0.91 -3.65 -2.71 0.53 8.00 -1.26 -5.01 116.55 113.35 3kip n ASP 45 Ca 0.21 -0.62 -0.05 0.00 0.71 0.00 0.00 54.79 55.03 3kip n ASP 45 Cb 0.56 -1.18 0.02 0.00 -0.02 0.00 0.00 41.12 40.50 3kip n ASP 45 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3kip n SER 46 N -1.48 0.46 -3.64 -2.24 7.64 -1.26 -4.94 113.62 108.15 3kip n SER 46 Ca -0.21 -1.35 -0.05 0.00 1.01 0.00 0.00 58.87 58.27 3kip n SER 46 Cb 0.52 -0.13 -0.07 0.00 -1.01 0.00 0.00 64.21 63.52 3kip n SER 46 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3kip s GLU 47 N -2.85 0.35 -0.23 1.43 2.12 -0.70 -4.72 118.70 114.10 3kip s GLU 47 Ca 0.16 0.47 -0.03 0.00 0.36 0.00 0.00 54.97 55.93 3kip s GLU 47 Cb -0.01 0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.52 3kip s GLU 47 CO 0.11 -0.05 -0.05 0.08 -0.54 0.00 0.00 175.26 174.80 3kip s VAL 48 N 0.57 3.17 0.26 3.70 1.01 -1.26 -1.49 120.40 126.36 3kip s VAL 48 Ca -0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 3kip s VAL 48 Cb -0.04 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.77 3kip s VAL 48 CO -0.11 0.36 0.60 -0.76 0.00 0.00 0.00 175.10 175.19 3kip s LEU 49 N 1.43 4.13 -0.02 3.92 1.43 0.26 -4.66 118.68 125.18 3kip s LEU 49 Ca 0.04 1.01 0.03 0.00 -1.03 0.00 0.00 54.13 54.18 3kip s LEU 49 Cb -0.15 -3.78 -0.00 0.00 0.03 0.00 0.00 46.19 42.28 3kip s LEU 49 CO -0.04 -0.12 -0.11 0.68 0.23 0.00 0.00 176.35 177.00 3kip s VAL 50 N -1.88 0.88 0.00 -1.59 -7.23 -1.26 -0.58 120.40 108.75 3kip s VAL 50 Ca 0.49 -0.45 0.00 0.00 -1.81 0.00 0.00 61.98 60.22 3kip s VAL 50 Cb -0.11 -0.76 -0.00 0.00 0.56 0.00 0.00 36.38 36.07 3kip s VAL 50 CO 0.21 0.26 -0.02 0.12 -0.31 0.00 0.00 175.10 175.36 3kip s PHE 51 N -0.06 0.16 -0.02 2.82 5.36 0.52 -4.96 117.98 121.80 3kip s PHE 51 Ca 0.01 -0.11 -0.02 0.00 -0.96 0.00 0.00 56.93 55.85 3kip s PHE 51 Cb -0.06 -0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.51 3kip s PHE 51 CO 0.00 -0.03 0.05 -1.14 -1.46 0.00 0.00 175.22 172.64 3kip s GLN 52 N -0.28 0.08 -0.01 10.12 -0.44 -1.26 -0.59 119.66 127.28 3kip s GLN 52 Ca -0.02 0.03 -0.23 0.00 -2.50 0.00 0.00 55.36 52.64 3kip s GLN 52 Cb -0.02 0.03 0.05 0.00 -1.64 0.00 0.00 33.01 31.43 3kip s GLN 52 CO -0.00 -0.01 0.51 0.45 0.50 0.00 0.00 175.29 176.73 3kip s SER 53 N -0.07 -0.43 0.02 6.67 0.15 -1.02 -4.98 113.70 114.04 3kip s SER 53 Ca -0.01 0.34 0.23 0.00 0.70 0.00 0.00 55.95 57.21 3kip s SER 53 Cb -0.01 0.45 0.05 0.00 -1.71 0.00 0.00 66.02 64.80 3kip s SER 53 CO 0.00 -0.59 1.05 0.59 1.20 0.00 0.00 173.24 175.49 3kip n ASN 54 N 0.87 0.66 -4.60 5.45 3.02 -1.26 -2.32 115.26 117.07 3kip n ASN 54 Ca -0.20 -0.40 -0.39 0.00 -0.03 0.00 0.00 54.58 53.56 3kip n ASN 54 Cb 0.58 0.79 -0.09 0.00 -0.61 0.00 0.00 39.78 40.45 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 -3.12 5.16 0.16 3.41 2.01 -1.26 -4.53 115.64 117.46 3kip s THR 55 Ca 0.06 0.59 -0.22 0.00 0.31 0.00 0.00 61.69 62.43 3kip s THR 55 Cb 0.15 -3.72 0.06 0.00 0.01 0.00 0.00 72.50 69.00 3kip s THR 55 CO 0.80 0.13 1.61 -0.08 -0.69 0.00 0.00 174.62 176.40 3kip h GLU 56 N 8.16 -0.22 -0.12 4.92 4.81 -2.00 -2.28 114.58 127.85 3kip h GLU 56 Ca -0.31 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.97 3kip h GLU 56 Cb 1.16 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 3kip h GLU 56 CO 0.66 -0.15 0.10 0.78 -0.73 0.00 0.00 179.01 179.66 3kip h GLY 57 N -0.23 0.00 1.38 1.92 0.00 -1.99 -1.60 103.07 102.55 3kip h GLY 57 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.24 3kip h GLY 57 CO -0.50 0.00 -1.06 0.74 0.00 0.00 0.00 176.54 175.72 3kip h PHE 58 N 0.00 0.83 -0.21 5.60 0.04 -1.84 0.22 116.94 121.58 3kip h PHE 58 Ca 0.06 -0.48 -0.04 0.00 2.80 0.00 0.00 57.97 60.31 3kip h PHE 58 Cb 0.25 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3kip h PHE 58 CO 0.00 1.31 -0.04 0.82 -0.60 0.00 0.00 178.31 179.81 3kip h ILE 59 N 0.28 1.15 0.06 -0.55 2.04 -1.03 -0.49 117.51 118.97 3kip h ILE 59 Ca -0.12 -0.62 -0.21 0.00 1.00 0.00 0.00 64.86 64.91 3kip h ILE 59 Cb 1.72 1.04 0.02 0.00 -0.74 0.00 0.00 36.82 38.86 3kip h ILE 59 CO 0.20 0.20 -0.84 0.40 0.00 0.00 0.00 178.15 178.11 3kip h ILE 60 N 0.30 1.40 -0.76 -0.67 2.04 -0.67 -0.99 117.51 118.16 3kip h ILE 60 Ca 0.07 -2.29 0.10 0.00 1.00 0.00 0.00 64.86 63.74 3kip h ILE 60 Cb 0.27 2.74 -0.07 0.00 -0.74 0.00 0.00 36.82 39.01 3kip h ILE 60 CO 0.01 0.67 0.40 0.44 0.00 0.00 0.00 178.15 179.67 3kip h ASP 61 N -0.03 0.54 -0.21 1.72 3.32 -0.50 -2.36 116.42 118.90 3kip h ASP 61 Ca -0.12 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3kip h ASP 61 Cb 1.57 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 41.07 3kip h ASP 61 CO 0.16 0.30 0.07 -0.09 -1.72 0.00 0.00 179.24 177.97 3kip h ARG 62 N 0.67 0.32 -0.88 3.56 9.65 -0.64 -1.16 114.38 125.91 3kip h ARG 62 Ca 0.37 -0.07 0.20 0.00 -1.10 0.00 0.00 59.98 59.38 3kip h ARG 62 Cb 0.38 -0.05 -0.11 0.00 -1.39 0.00 0.00 29.97 28.80 3kip h ARG 62 CO -0.27 0.41 0.40 0.82 2.80 0.00 0.00 179.97 184.14 3kip h ILE 63 N 0.17 0.55 -0.37 1.20 2.04 -0.88 0.54 117.51 120.77 3kip h ILE 63 Ca 0.07 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 3kip h ILE 63 Cb 0.22 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 3kip h ILE 63 CO -0.00 0.09 0.03 0.45 0.00 0.00 0.00 178.15 178.72 3kip h HIS 64 N 0.47 0.68 -0.88 1.37 3.86 -0.93 -2.78 115.15 116.95 3kip h HIS 64 Ca 0.53 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.63 3kip h HIS 64 Cb 0.93 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 29.18 3kip h HIS 64 CO -0.12 0.70 0.53 1.49 0.86 0.00 0.00 177.93 181.38 3kip h GLU 65 N 0.46 1.19 -0.31 2.45 4.57 -0.00 -2.65 114.58 120.29 3kip h GLU 65 Ca 0.11 -0.11 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 3kip h GLU 65 Cb 0.41 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 3kip h GLU 65 CO 0.01 0.84 0.05 0.00 -1.18 0.00 0.00 179.01 178.72 3kip h ALA 66 N 1.29 0.31 -0.30 2.92 0.00 0.31 -0.33 119.26 123.46 3kip h ALA 66 Ca 0.31 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.37 3kip h ALA 66 Cb -0.05 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kip h ALA 66 CO -0.06 -0.36 0.21 -0.22 0.00 0.00 0.00 179.25 178.82 3kip h LYS 67 N 0.15 0.05 -0.03 0.00 1.63 -1.29 -1.26 116.57 115.82 3kip h LYS 67 Ca 0.15 -0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.73 3kip h LYS 67 Cb 0.17 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 3kip h LYS 67 CO -0.21 0.03 -0.87 -0.09 -3.45 0.00 0.00 179.45 174.87 3kip h ARG 68 N 0.05 0.43 -0.22 1.90 2.43 -0.78 -2.50 114.38 115.68 3kip h ARG 68 Ca 0.14 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3kip h ARG 68 Cb 0.49 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3kip h ARG 68 CO -0.01 1.07 0.00 1.04 -1.51 0.00 0.00 179.97 180.56 3kip n GLN 69 N -3.78 1.63 -3.00 0.20 6.02 -0.39 -4.91 117.38 113.14 3kip n GLN 69 Ca -0.06 -0.96 -0.22 0.00 -0.01 0.00 0.00 57.00 55.75 3kip n GLN 69 Cb 0.79 -1.29 0.03 0.00 1.02 0.00 0.00 30.24 30.79 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 1.00 -0.52 3.70 1.08 0.00 -0.67 -4.96 105.19 104.83 3kip n GLY 70 Ca 0.12 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.46 0.06 0.94 1.61 0.31 -0.57 -4.72 118.33 111.50 3kip n VAL 71 Ca -0.12 -0.01 0.12 0.00 -0.01 0.00 0.00 64.34 64.32 3kip n VAL 71 Cb 0.62 -1.92 0.16 0.00 -0.91 0.00 0.00 33.84 31.80 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 3.91 1.02 3.64 2.92 0.00 -0.23 -4.67 105.19 111.77 3kip n GLY 72 Ca 0.17 -0.67 -0.07 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.91 -0.33 -0.09 1.61 2.19 -1.23 -4.50 117.98 113.72 3kip s PHE 73 Ca 0.31 0.79 0.04 0.00 0.33 0.00 0.00 56.93 58.39 3kip s PHE 73 Cb 0.21 0.41 -0.01 0.00 -1.31 0.00 0.00 43.02 42.31 3kip s PHE 73 CO 0.31 -0.17 -0.20 0.08 1.83 0.00 0.00 175.22 177.06 3kip s VAL 74 N 0.03 2.44 -0.33 3.12 1.01 -0.48 -1.47 120.40 124.72 3kip s VAL 74 Ca 0.04 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 3kip s VAL 74 Cb -0.05 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.40 3kip s VAL 74 CO -0.08 0.56 0.14 -0.69 0.00 0.00 0.00 175.10 175.03 3kip s VAL 75 N 0.07 4.36 -0.06 2.92 1.01 0.49 -1.68 120.40 127.49 3kip s VAL 75 Ca -0.09 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.24 3kip s VAL 75 Cb -0.15 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 32.94 3kip s VAL 75 CO 0.06 -0.03 -0.09 -0.51 0.00 0.00 0.00 175.10 174.53 3kip s ILE 76 N 1.55 0.90 -0.62 2.22 2.07 -0.81 -1.51 121.20 125.00 3kip s ILE 76 Ca 0.03 -0.32 -0.10 0.00 -1.41 0.00 0.00 60.65 58.84 3kip s ILE 76 Cb -0.18 -0.86 0.16 0.00 0.13 0.00 0.00 42.46 41.71 3kip s ILE 76 CO 0.05 0.31 0.51 0.21 -1.91 0.00 0.00 174.94 174.11 3kip s ASN 77 N 0.88 5.98 0.00 4.50 3.84 -0.22 -1.04 114.94 128.88 3kip s ASN 77 Ca -0.11 -2.33 0.18 0.00 0.21 0.00 0.00 52.86 50.81 3kip s ASN 77 Cb -0.15 -2.06 1.04 0.00 -0.55 0.00 0.00 41.25 39.53 3kip s ASN 77 CO 0.01 -0.61 1.48 0.00 -2.79 0.00 0.00 177.10 175.19 3kip n ALA 78 N 4.38 2.13 -0.57 1.71 0.00 -1.26 -1.16 120.51 125.73 3kip n ALA 78 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3kip n ALA 78 Cb 0.42 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.14 2.98 0.26 0.00 0.00 -1.26 0.03 105.19 107.33 3kip n GLY 79 Ca 0.13 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.57 1.58 0.00 4.61 0.00 -1.92 -2.32 119.26 120.64 3kip h ALA 80 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kip h ALA 80 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kip h ALA 80 CO 0.00 0.11 0.00 1.88 0.00 0.00 0.00 179.25 181.24 3kip h TYR 81 N 0.00 0.00 -1.01 0.00 0.05 -0.78 -2.06 116.97 113.16 3kip h TYR 81 Ca -0.00 0.00 0.24 0.00 0.05 0.00 0.00 58.73 59.02 3kip h TYR 81 Cb 0.19 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 37.83 3kip h TYR 81 CO 0.00 0.00 0.62 1.15 -1.05 0.00 0.00 178.16 178.88 3kip h THR 82 N 0.00 0.58 -0.00 -2.88 2.02 -1.40 0.18 112.91 111.40 3kip h THR 82 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3kip h THR 82 Cb 0.29 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3kip h THR 82 CO 0.00 0.10 -0.89 1.41 0.37 0.00 0.00 175.52 176.51 3kip n HIS 83 N -4.75 0.00 0.00 3.16 8.25 -0.78 -1.08 115.22 120.02 3kip n HIS 83 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 3kip n HIS 83 Cb 0.75 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.81 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 -1.46 0.00 -3.27 1.59 -2.24 -0.75 -4.73 114.28 103.42 3kip n THR 84 Ca 0.04 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.37 3kip n THR 84 Cb 0.33 0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 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 -1.60 6.19 0.42 3.42 0.15 0.56 -4.83 113.70 118.00 3kip s SER 85 Ca 0.00 -1.66 0.23 0.00 0.70 0.00 0.00 55.95 55.22 3kip s SER 85 Cb 0.00 -2.23 0.62 0.00 -1.71 0.00 0.00 66.02 62.70 3kip s SER 85 CO 0.00 -0.90 1.70 0.58 1.20 0.00 0.00 173.24 175.82 3kip h VAL 86 N 5.89 0.38 -0.55 4.45 2.07 -1.94 -3.25 116.25 123.30 3kip h VAL 86 Ca -0.30 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 65.91 3kip h VAL 86 Cb 1.10 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 3kip h VAL 86 CO 1.04 0.19 0.11 1.23 0.02 0.00 0.00 177.57 180.16 3kip h GLY 87 N 2.95 0.96 0.86 2.17 0.00 -1.97 -1.75 103.07 106.29 3kip h GLY 87 Ca -0.00 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 46.72 3kip h GLY 87 CO 0.02 0.58 -0.04 -2.22 0.00 0.00 0.00 176.54 174.89 3kip h ILE 88 N 0.79 0.89 -0.08 2.60 2.04 -1.93 -0.33 117.51 121.49 3kip h ILE 88 Ca 0.17 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.07 3kip h ILE 88 Cb 0.37 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 3kip h ILE 88 CO 0.01 0.00 -0.22 -0.09 0.00 0.00 0.00 178.15 177.84 3kip h ARG 89 N -0.05 -0.30 0.00 2.37 2.43 -1.54 0.35 114.38 117.65 3kip h ARG 89 Ca 0.03 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3kip h ARG 89 Cb 0.09 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3kip h ARG 89 CO -0.07 -0.20 -0.01 -0.44 -1.51 0.00 0.00 179.97 177.75 3kip h ASP 90 N -0.31 0.00 -0.11 -3.80 3.32 -1.17 0.64 116.42 114.98 3kip h ASP 90 Ca 0.09 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.92 3kip h ASP 90 Cb 0.43 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.99 3kip h ASP 90 CO -0.26 0.01 -0.76 0.00 -1.72 0.00 0.00 179.24 176.51 3kip h ALA 91 N 1.99 0.24 -0.06 3.45 0.00 0.74 0.30 119.26 125.92 3kip h ALA 91 Ca -0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 3kip h ALA 91 Cb 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kip h ALA 91 CO 0.00 0.61 -0.10 -0.07 0.00 0.00 0.00 179.25 179.69 3kip h LEU 92 N 0.41 0.19 -0.79 0.00 3.38 0.14 -0.97 115.31 117.66 3kip h LEU 92 Ca -0.06 -0.54 0.09 0.00 0.09 0.00 0.00 57.88 57.46 3kip h LEU 92 Cb 1.40 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 42.02 3kip h LEU 92 CO 0.16 0.69 0.44 -0.07 0.09 0.00 0.00 178.44 179.75 3kip h LEU 93 N -0.30 0.63 -0.73 1.67 3.38 0.01 -1.14 115.31 118.82 3kip h LEU 93 Ca 0.01 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3kip h LEU 93 Cb 0.65 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3kip h LEU 93 CO 0.02 0.36 -0.59 1.23 0.09 0.00 0.00 178.44 179.55 3kip h GLY 94 N 0.75 0.00 0.25 0.83 0.00 -0.15 -2.83 103.07 101.92 3kip h GLY 94 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3kip h GLY 94 CO -0.25 0.00 -0.50 -1.30 0.00 0.00 0.00 176.54 174.49 3kip n THR 95 N -3.70 0.00 -2.09 4.70 -2.24 -0.39 -4.98 114.28 105.58 3kip n THR 95 Ca -0.01 -0.08 -0.20 0.00 -2.27 0.00 0.00 64.05 61.49 3kip n THR 95 Cb 0.62 0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 69.40 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 -0.98 -0.51 -2.68 6.98 0.00 -0.44 -4.95 120.51 117.93 3kip n ALA 96 Ca 0.08 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 3kip n ALA 96 Cb 0.36 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 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 -2.88 4.83 0.59 0.00 1.01 -1.20 -5.03 121.20 118.52 3kip s ILE 97 Ca 0.00 1.87 -0.15 0.00 0.00 0.00 0.00 60.65 62.37 3kip s ILE 97 Cb 0.00 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 3kip s ILE 97 CO 0.00 0.03 1.04 -2.16 0.00 0.00 0.00 174.94 173.86 3kip s PRO 98 N 1.94 3.42 0.15 2.79 0.04 -1.26 -4.78 135.00 137.30 3kip s PRO 98 Ca 0.45 1.11 -0.10 0.00 0.04 0.00 0.00 61.00 62.50 3kip s PRO 98 Cb -0.18 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 3kip s PRO 98 CO 0.16 -0.72 0.29 -0.59 0.04 0.00 0.00 177.00 176.18 3kip s PHE 99 N -2.57 0.29 0.06 0.56 -0.71 -1.26 -1.39 117.98 112.96 3kip s PHE 99 Ca 0.62 -0.66 0.10 0.00 -1.04 0.00 0.00 56.93 55.94 3kip s PHE 99 Cb -0.14 -0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.63 3kip s PHE 99 CO 0.38 -0.71 -0.26 0.42 -1.34 0.00 0.00 175.22 173.71 3kip s ILE 100 N -3.94 2.17 -0.16 -4.49 1.01 -0.68 -0.04 121.20 115.07 3kip s ILE 100 Ca 0.14 -1.44 -0.06 0.00 0.00 0.00 0.00 60.65 59.29 3kip s ILE 100 Cb 0.03 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 3kip s ILE 100 CO -0.03 0.33 0.03 -0.70 0.00 0.00 0.00 174.94 174.57 3kip s GLU 101 N -1.36 3.76 -0.03 2.79 2.12 -0.56 -1.92 118.70 123.50 3kip s GLU 101 Ca 0.12 -0.39 0.06 0.00 0.36 0.00 0.00 54.97 55.12 3kip s GLU 101 Cb -0.10 -3.08 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 3kip s GLU 101 CO 0.03 0.33 -0.23 0.08 -0.54 0.00 0.00 175.26 174.93 3kip s VAL 102 N 0.17 1.84 -0.10 3.70 1.01 -0.21 -1.80 120.40 125.02 3kip s VAL 102 Ca 0.02 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3kip s VAL 102 Cb -0.13 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.71 3kip s VAL 102 CO 0.01 0.52 -0.23 -1.00 0.00 0.00 0.00 175.10 174.40 3kip s HIS 103 N -0.34 2.48 0.33 5.22 3.76 -0.34 -4.26 115.29 122.14 3kip s HIS 103 Ca 0.03 -1.02 0.02 0.00 -0.15 0.00 0.00 55.06 53.94 3kip s HIS 103 Cb -0.11 -1.67 0.60 0.00 1.11 0.00 0.00 32.58 32.51 3kip s HIS 103 CO 0.01 -0.42 1.95 0.82 -0.85 0.00 0.00 174.74 176.25 3kip h ILE 104 N 5.73 1.09 -2.17 0.60 2.04 -1.87 -2.13 117.51 120.80 3kip h ILE 104 Ca -0.20 -0.32 -0.58 0.00 1.00 0.00 0.00 64.86 64.76 3kip h ILE 104 Cb 1.23 0.07 -0.11 0.00 -0.74 0.00 0.00 36.82 37.27 3kip h ILE 104 CO 0.47 0.17 -0.68 0.42 0.00 0.00 0.00 178.15 178.53 3kip s THR 105 N -5.81 2.97 -0.85 -0.27 -4.23 -1.26 -1.66 115.64 104.53 3kip s THR 105 Ca -0.11 -2.11 -0.25 0.00 -1.18 0.00 0.00 61.69 58.04 3kip s THR 105 Cb 0.19 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.40 3kip s THR 105 CO 0.78 -0.36 1.64 0.21 -0.54 0.00 0.00 174.62 176.35 3kip s ASN 106 N -3.62 5.79 0.43 3.99 3.84 -1.26 -3.53 114.94 120.58 3kip s ASN 106 Ca 0.31 -0.66 0.28 0.00 0.21 0.00 0.00 52.86 53.00 3kip s ASN 106 Cb -0.05 -2.56 1.38 0.00 -0.55 0.00 0.00 41.25 39.48 3kip s ASN 106 CO 0.18 -2.11 1.64 0.58 -2.79 0.00 0.00 177.10 174.60 3kip h VAL 107 N 6.79 0.16 0.00 -5.21 2.07 -1.93 0.11 116.25 118.24 3kip h VAL 107 Ca -0.02 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3kip h VAL 107 Cb 1.05 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3kip h VAL 107 CO 1.29 0.02 0.00 1.41 0.02 0.00 0.00 177.57 180.31 3kip n HIS 108 N -4.71 0.70 0.88 1.57 8.25 -1.26 -1.32 115.22 119.33 3kip n HIS 108 Ca 0.36 0.28 0.14 0.00 -0.26 0.00 0.00 57.72 58.24 3kip n HIS 108 Cb 1.36 -0.96 0.52 0.00 1.12 0.00 0.00 29.99 32.04 3kip n HIS 108 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3kip n GLN 109 N -2.15 0.08 -0.93 -0.41 6.02 0.39 -4.91 117.38 115.48 3kip n GLN 109 Ca 0.02 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 3kip n GLN 109 Cb 0.20 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 29.87 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 -1.74 1.56 -1.64 -1.09 1.74 -0.44 -5.04 116.66 110.01 3kip n ARG 110 Ca 0.06 0.00 -0.47 0.00 -0.77 0.00 0.00 57.85 56.67 3kip n ARG 110 Cb 0.37 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.77 3kip n ARG 110 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kip n GLU 111 N -0.67 1.78 -0.20 5.56 4.71 -1.26 -4.82 120.64 125.74 3kip n GLU 111 Ca 0.00 0.64 0.08 0.00 -0.01 0.00 0.00 57.16 57.87 3kip n GLU 111 Cb 0.00 -2.31 0.16 0.00 -1.01 0.00 0.00 31.44 28.27 3kip n GLU 111 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 3kip n PRO 112 N 2.61 -0.05 0.18 3.49 -0.02 -1.26 0.39 135.00 140.34 3kip n PRO 112 Ca 0.15 0.86 0.10 0.00 -2.02 0.00 0.00 63.50 62.60 3kip n PRO 112 Cb 0.27 -1.36 0.56 0.00 -0.02 0.00 0.00 33.50 32.95 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 -0.02 6.00 -5.15 -1.98 -1.48 116.94 114.31 3kip h PHE 113 Ca 0.34 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.11 3kip h PHE 113 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.85 3kip h PHE 113 CO -0.31 0.00 -0.19 0.54 -2.00 0.00 0.00 178.31 176.35 3kip n ARG 114 N -2.26 1.64 0.25 6.09 1.74 0.16 -3.64 116.66 120.65 3kip n ARG 114 Ca -0.01 -1.26 0.15 0.00 -0.77 0.00 0.00 57.85 55.96 3kip n ARG 114 Cb 0.13 -1.47 0.48 0.00 -1.02 0.00 0.00 32.46 30.57 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 3.08 0.00 -3.21 -1.55 3.86 -1.38 -3.45 115.15 112.50 3kip h HIS 115 Ca 0.00 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.63 3kip h HIS 115 Cb 0.77 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.19 3kip h HIS 115 CO 0.00 0.00 -0.10 -0.65 0.86 0.00 0.00 177.93 178.04 3kip s GLN 116 N -3.47 4.04 -0.02 2.45 -1.52 -1.24 -5.08 119.66 114.83 3kip s GLN 116 Ca 0.04 0.56 0.01 0.00 -1.95 0.00 0.00 55.36 54.01 3kip s GLN 116 Cb 0.07 -3.12 0.02 0.00 -0.22 0.00 0.00 33.01 29.76 3kip s GLN 116 CO 0.59 0.60 -0.02 0.45 -0.25 0.00 0.00 175.29 176.65 3kip s SER 117 N -1.33 0.52 -0.01 5.90 0.15 -1.26 -4.46 113.70 113.21 3kip s SER 117 Ca 0.31 -0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.91 3kip s SER 117 Cb -0.17 -0.20 0.05 0.00 -1.71 0.00 0.00 66.02 63.99 3kip s SER 117 CO 0.18 -0.04 0.78 -1.22 1.20 0.00 0.00 173.24 174.14 3kip n TYR 118 N 3.69 0.11 -0.01 3.44 4.01 -0.24 -4.00 117.16 124.16 3kip n TYR 118 Ca -0.22 -0.04 -0.02 0.00 -0.16 0.00 0.00 57.90 57.47 3kip n TYR 118 Cb 0.53 -0.07 -0.01 0.00 -0.31 0.00 0.00 39.34 39.48 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 -0.13 2.24 -0.33 7.72 4.77 -1.26 -4.65 117.00 125.36 3kip n LEU 119 Ca 0.02 -0.01 0.06 0.00 -0.03 0.00 0.00 56.01 56.05 3kip n LEU 119 Cb 0.20 -0.05 0.15 0.00 -2.33 0.00 0.00 43.42 41.38 3kip n LEU 119 CO 0.02 0.42 0.70 0.28 -1.33 0.00 0.00 177.39 177.47 3kip h SER 120 N 0.00 -0.79 0.94 -1.43 0.02 -1.95 0.22 113.55 110.56 3kip h SER 120 Ca -0.06 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3kip h SER 120 Cb 1.10 0.55 0.00 0.00 0.14 0.00 0.00 62.40 64.19 3kip h SER 120 CO -0.01 -0.31 0.00 -2.24 -1.14 0.00 0.00 176.83 173.14 3kip h ASP 121 N 0.01 0.00 -0.02 3.07 2.03 -1.88 -2.81 116.42 116.82 3kip h ASP 121 Ca 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.76 3kip h ASP 121 Cb 0.74 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.24 3kip h ASP 121 CO -0.94 0.00 -0.09 0.29 -1.03 0.00 0.00 179.24 177.47 3kip n LYS 122 N -2.83 1.53 -2.19 4.15 4.76 0.60 -5.00 118.16 119.17 3kip n LYS 122 Ca 0.01 -1.38 -0.29 0.00 -2.87 0.00 0.00 58.31 53.78 3kip n LYS 122 Cb 0.28 -1.33 0.01 0.00 -1.84 0.00 0.00 35.03 32.15 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 -1.63 3.21 0.02 7.82 0.00 -0.18 -4.77 121.76 126.24 3kip s ALA 123 Ca 0.19 -0.30 -0.22 0.00 0.00 0.00 0.00 51.96 51.63 3kip s ALA 123 Cb 0.15 -2.86 -0.16 0.00 0.00 0.00 0.00 23.12 20.24 3kip s ALA 123 CO 0.28 -0.61 1.34 0.28 0.00 0.00 0.00 175.76 177.05 3kip h VAL 124 N -0.14 1.35 -4.11 0.00 2.07 -0.79 -3.47 116.25 111.16 3kip h VAL 124 Ca -0.45 -1.19 -0.14 0.00 0.82 0.00 0.00 66.70 65.73 3kip h VAL 124 Cb 1.20 1.92 -0.13 0.00 -1.52 0.00 0.00 31.29 32.77 3kip h VAL 124 CO 0.62 0.34 -0.40 0.00 0.02 0.00 0.00 177.57 178.15 3kip s ALA 125 N -4.38 0.40 -0.13 1.67 0.00 -1.24 -5.05 121.76 113.04 3kip s ALA 125 Ca -0.15 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 3kip s ALA 125 Cb 0.04 1.08 0.03 0.00 0.00 0.00 0.00 23.12 24.28 3kip s ALA 125 CO 0.72 -0.67 -0.05 0.08 0.00 0.00 0.00 175.76 175.85 3kip s VAL 126 N -4.05 0.91 -0.27 0.00 1.01 -1.26 -1.49 120.40 115.24 3kip s VAL 126 Ca 0.26 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 3kip s VAL 126 Cb 0.04 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 3kip s VAL 126 CO 0.06 0.24 0.12 -0.63 0.00 0.00 0.00 175.10 174.90 3kip s ILE 127 N 1.74 4.65 -0.10 2.22 1.01 -0.74 -5.00 121.20 124.98 3kip s ILE 127 Ca 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 3kip s ILE 127 Cb -0.14 -3.23 0.05 0.00 0.01 0.00 0.00 42.46 39.15 3kip s ILE 127 CO -0.08 0.25 0.14 0.00 0.00 0.00 0.00 174.94 175.26 3kip n GLY 129 N 5.32 0.78 0.11 0.00 0.00 -0.80 -4.64 105.19 105.95 3kip n GLY 129 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 0.31 0.00 0.99 7.94 -1.25 -4.62 117.00 120.36 3kip n LEU 130 Ca 0.00 -0.15 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 3kip n LEU 130 Cb 0.00 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 43.92 3kip n LEU 130 CO 0.00 0.07 0.00 0.61 -1.11 0.00 0.00 177.39 176.96 3kip n GLY 131 N 0.66 0.19 0.26 -3.96 0.00 -0.67 -3.31 105.19 98.37 3kip n GLY 131 Ca 0.05 -0.90 0.14 0.00 0.00 0.00 0.00 46.02 45.31 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 0.39 0.00 1.61 2.07 -1.93 -1.88 116.25 116.50 3kip h VAL 132 Ca 0.00 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3kip h VAL 132 Cb 0.00 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3kip h VAL 132 CO 0.00 0.11 0.00 0.22 0.02 0.00 0.00 177.57 177.92 3kip h TYR 133 N 0.00 0.00 -0.84 1.57 3.20 -1.95 -2.20 116.97 116.75 3kip h TYR 133 Ca -0.00 0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 3kip h TYR 133 Cb 0.44 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.65 3kip h TYR 133 CO 0.00 0.00 0.54 0.78 -1.64 0.00 0.00 178.16 177.84 3kip h GLY 134 N 1.28 1.15 1.05 1.82 0.00 -1.39 0.18 103.07 107.16 3kip h GLY 134 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 3kip h GLY 134 CO 0.00 0.20 -0.13 -0.97 0.00 0.00 0.00 176.54 175.64 3kip h TYR 135 N 0.81 1.04 -0.75 5.60 0.05 -1.60 -1.16 116.97 120.97 3kip h TYR 135 Ca 0.38 -0.23 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 3kip h TYR 135 Cb 0.40 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.86 3kip h TYR 135 CO -0.00 1.01 0.43 1.15 -1.05 0.00 0.00 178.16 179.71 3kip h THR 136 N 0.77 1.21 0.02 -2.88 2.02 -0.80 -0.30 112.91 112.96 3kip h THR 136 Ca 0.12 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 3kip h THR 136 Cb 0.69 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3kip h THR 136 CO 0.05 0.23 -0.01 0.00 0.37 0.00 0.00 175.52 176.16 3kip h ALA 137 N 1.45 -0.02 -0.92 6.16 0.00 -1.10 -2.42 119.26 122.40 3kip h ALA 137 Ca 0.27 -0.38 0.21 0.00 0.00 0.00 0.00 54.91 55.01 3kip h ALA 137 Cb -0.02 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.61 3kip h ALA 137 CO -0.05 -0.06 -0.14 0.00 0.00 0.00 0.00 179.25 179.00 3kip n ALA 138 N -2.59 0.31 0.06 0.00 0.00 -0.45 -2.22 120.51 115.63 3kip n ALA 138 Ca -0.08 1.01 -0.11 0.00 0.00 0.00 0.00 53.44 54.25 3kip n ALA 138 Cb 0.37 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 3kip n ALA 138 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3kip h ILE 139 N 0.00 1.41 -0.77 0.00 2.04 -0.83 -0.85 117.51 118.51 3kip h ILE 139 Ca 0.49 -2.36 0.06 0.00 1.00 0.00 0.00 64.86 64.04 3kip h ILE 139 Cb 0.85 2.32 -0.06 0.00 -0.74 0.00 0.00 36.82 39.19 3kip h ILE 139 CO -0.92 0.70 0.46 -0.08 0.00 0.00 0.00 178.15 178.31 3kip h GLU 140 N 0.23 0.81 -0.11 2.37 4.57 -1.04 -0.08 114.58 121.33 3kip h GLU 140 Ca -0.06 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.04 3kip h GLU 140 Cb 1.47 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 29.87 3kip h GLU 140 CO 0.14 0.54 -0.05 -0.92 -1.18 0.00 0.00 179.01 177.54 3kip h TYR 141 N 0.84 0.26 -0.14 0.92 5.03 -0.90 -2.56 116.97 120.41 3kip h TYR 141 Ca 0.34 -0.06 0.02 0.00 2.58 0.00 0.00 58.73 61.60 3kip h TYR 141 Cb 0.18 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.37 3kip h TYR 141 CO -0.05 0.57 -0.19 0.00 -1.32 0.00 0.00 178.16 177.17 3kip h ALA 142 N 0.65 -0.46 0.00 1.82 0.00 -0.96 -1.78 119.26 118.52 3kip h ALA 142 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kip h ALA 142 Cb 0.50 0.85 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3kip h ALA 142 CO 0.02 -0.56 0.05 1.28 0.00 0.00 0.00 179.25 180.04 3kip n LEU 143 N -3.63 0.00 -0.84 0.00 4.77 -0.06 -0.49 117.00 116.75 3kip n LEU 143 Ca -0.01 0.23 0.04 0.00 -0.03 0.00 0.00 56.01 56.24 3kip n LEU 143 Cb 0.12 -0.23 0.21 0.00 -2.33 0.00 0.00 43.42 41.19 3kip n LEU 143 CO 0.00 -0.23 0.66 0.59 -1.33 0.00 0.00 177.39 177.08 3kip n ASN 144 N -1.20 2.94 -4.41 -1.43 4.13 -0.67 -4.69 115.26 109.93 3kip n ASN 144 Ca 0.00 -3.38 -0.36 0.00 1.68 0.00 0.00 54.58 52.52 3kip n ASN 144 Cb 0.05 -0.56 -0.13 0.00 -1.54 0.00 0.00 39.78 37.60 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 -3.03 3.05 0.00 3.10 5.04 0.36 -4.95 117.35 120.92 3kip s TYR 145 Ca 0.41 -0.56 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 3kip s TYR 145 Cb 0.36 -2.20 0.00 0.00 0.35 0.00 0.00 41.96 40.47 3kip s TYR 145 CO 0.03 -0.41 0.00 1.04 -1.34 0.00 0.00 175.55 174.87 3kip n GLN 146 N 4.89 0.00 0.00 4.97 1.13 -1.26 -1.98 117.38 125.12 3kip n GLN 146 Ca -0.17 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.89 3kip n GLN 146 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.86 3kip n GLN 146 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90