#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kip n VAL 1 N 0.00 3.98 0.00 4.08 0.31 -0.94 -4.82 118.33 120.93 3kip n VAL 1 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 3kip n VAL 1 Cb 0.00 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 3kip n VAL 1 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kip n LYS 2 N -1.12 5.65 -4.04 5.55 5.02 -1.26 -4.76 118.16 123.20 3kip n LYS 2 Ca 0.11 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.09 3kip n LYS 2 Cb 0.45 -0.52 -0.15 0.00 -0.02 0.00 0.00 35.03 34.79 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 -0.10 1.86 0.04 1.97 2.47 -1.26 -1.13 119.74 123.58 3kip s LYS 3 Ca 0.00 -1.62 0.04 0.00 -1.56 0.00 0.00 55.97 52.83 3kip s LYS 3 Cb 0.00 -3.05 -0.04 0.00 -1.46 0.00 0.00 37.83 33.28 3kip s LYS 3 CO 0.00 -0.76 -0.03 0.08 0.16 0.00 0.00 175.35 174.80 3kip s VAL 4 N 1.00 3.87 -0.21 4.02 1.01 0.72 -0.54 120.40 130.27 3kip s VAL 4 Ca 0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 3kip s VAL 4 Cb -0.20 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.43 3kip s VAL 4 CO -0.06 0.27 -0.09 -0.22 0.00 0.00 0.00 175.10 175.00 3kip s LEU 5 N -1.82 2.71 -0.31 3.92 2.96 0.56 -0.84 118.68 125.86 3kip s LEU 5 Ca 0.21 -0.50 -0.22 0.00 -0.22 0.00 0.00 54.13 53.40 3kip s LEU 5 Cb -0.11 -1.66 -0.00 0.00 0.50 0.00 0.00 46.19 44.91 3kip s LEU 5 CO 0.12 -0.02 0.71 -0.22 -1.32 0.00 0.00 176.35 175.62 3kip s LEU 6 N 1.41 4.12 -0.17 -0.68 2.96 0.55 -0.71 118.68 126.16 3kip s LEU 6 Ca 0.05 0.53 -0.04 0.00 -0.22 0.00 0.00 54.13 54.45 3kip s LEU 6 Cb -0.14 -2.95 -0.03 0.00 0.50 0.00 0.00 46.19 43.58 3kip s LEU 6 CO -0.06 -0.56 -0.02 -0.63 -1.32 0.00 0.00 176.35 173.76 3kip s ILE 7 N 2.79 3.94 -0.10 6.68 1.01 0.33 -0.54 121.20 135.32 3kip s ILE 7 Ca 0.29 -0.33 -0.00 0.00 0.00 0.00 0.00 60.65 60.60 3kip s ILE 7 Cb -0.14 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 3kip s ILE 7 CO 0.12 0.47 -0.07 0.20 0.00 0.00 0.00 174.94 175.66 3kip s ASN 8 N 0.63 4.60 0.00 3.58 -0.87 0.49 -1.54 114.94 121.83 3kip s ASN 8 Ca -0.02 -0.08 0.00 0.00 -1.57 0.00 0.00 52.86 51.19 3kip s ASN 8 Cb -0.14 -1.36 0.00 0.00 -0.02 0.00 0.00 41.25 39.73 3kip s ASN 8 CO 0.02 0.29 0.00 0.61 -2.57 0.00 0.00 177.10 175.46 3kip n GLY 9 N 2.68 0.85 3.66 0.66 0.00 -0.34 -2.39 105.19 110.31 3kip n GLY 9 Ca -0.18 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 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 1.62 0.00 1.61 -0.04 -1.02 -2.69 135.00 134.49 3kip n PRO 10 Ca 0.00 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 3kip n PRO 10 Cb 0.00 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 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 0.31 0.00 0.23 3.54 3.02 -1.26 -4.54 115.26 116.55 3kip n ASN 11 Ca 0.08 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.79 3kip n ASN 11 Cb 0.39 -0.57 0.64 0.00 -0.61 0.00 0.00 39.78 39.63 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 0.00 0.00 3.41 3.38 -1.88 -0.62 115.31 119.60 3kip h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kip h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kip h LEU 12 CO 0.00 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.07 3kip n ASN 13 N -2.78 0.00 -0.29 -0.43 6.94 -1.26 -1.86 115.26 115.57 3kip n ASN 13 Ca 0.01 0.08 0.06 0.00 -0.02 0.00 0.00 54.58 54.71 3kip n ASN 13 Cb 0.27 -0.10 0.01 0.00 -2.36 0.00 0.00 39.78 37.60 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 -1.10 1.42 -4.76 -4.53 4.77 -0.24 -4.77 117.00 107.79 3kip n LEU 14 Ca 0.00 -0.81 -0.40 0.00 -0.03 0.00 0.00 56.01 54.78 3kip n LEU 14 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 3kip n LEU 14 CO 0.00 0.28 0.69 -1.48 -1.33 0.00 0.00 177.39 175.55 3kip s LEU 15 N -1.58 4.57 -0.35 2.23 2.34 -0.78 -1.36 118.68 123.75 3kip s LEU 15 Ca 0.10 2.03 0.03 0.00 0.06 0.00 0.00 54.13 56.35 3kip s LEU 15 Cb 0.09 -3.68 0.10 0.00 -0.56 0.00 0.00 46.19 42.15 3kip s LEU 15 CO 0.26 0.03 0.08 -0.83 -1.06 0.00 0.00 176.35 174.83 3kip s GLY 16 N -1.16 1.82 0.00 -3.48 0.00 -0.89 -3.04 107.32 100.56 3kip s GLY 16 Ca 0.44 -2.44 0.09 0.00 0.00 0.00 0.00 44.72 42.80 3kip s GLY 16 CO 0.33 1.08 0.56 -1.30 0.00 0.00 0.00 173.10 173.77 3kip n THR 17 N 4.26 0.00 0.00 0.90 -2.24 -0.46 -4.68 114.28 112.05 3kip n THR 17 Ca 0.03 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3kip n THR 17 Cb 0.41 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.37 0.00 -0.31 -0.78 1.74 -1.26 -5.21 116.66 110.46 3kip n ARG 18 Ca 0.03 0.48 0.07 0.00 -0.77 0.00 0.00 57.85 57.66 3kip n ARG 18 Cb 0.17 -0.98 0.21 0.00 -1.02 0.00 0.00 32.46 30.84 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 -1.97 0.69 -2.84 -1.55 9.36 -1.26 -5.14 117.16 114.45 3kip n TYR 23 Ca 0.00 -0.72 -0.14 0.00 3.32 0.00 0.00 57.90 60.36 3kip n TYR 23 Cb 0.00 -0.19 0.06 0.00 -0.63 0.00 0.00 39.34 38.58 3kip n TYR 23 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3kip n GLY 24 N -0.16 1.51 1.08 2.98 0.00 -1.26 -5.00 105.19 104.34 3kip n GLY 24 Ca 0.17 -2.13 -0.01 0.00 0.00 0.00 0.00 46.02 44.05 3kip n GLY 24 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kip n THR 25 N -2.02 1.13 -2.71 2.61 -2.24 -1.26 -4.61 114.28 105.17 3kip n THR 25 Ca 0.11 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 3kip n THR 25 Cb 0.40 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 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 -1.35 4.78 0.46 4.28 2.01 -1.26 -4.63 115.64 119.92 3kip s THR 26 Ca 0.17 1.98 -0.01 0.00 0.31 0.00 0.00 61.69 64.15 3kip s THR 26 Cb 0.13 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.35 3kip s THR 26 CO 0.04 -0.01 0.69 -0.94 -0.69 0.00 0.00 174.62 173.71 3kip s SER 27 N 1.11 5.86 0.28 3.53 1.04 -1.26 -2.10 113.70 122.17 3kip s SER 27 Ca 0.46 0.37 0.00 0.00 0.48 0.00 0.00 55.95 57.27 3kip s SER 27 Cb -0.18 -1.62 0.51 0.00 0.10 0.00 0.00 66.02 64.83 3kip s SER 27 CO 0.16 -0.70 1.86 0.25 0.98 0.00 0.00 173.24 175.78 3kip h LEU 28 N 0.36 0.96 0.00 2.42 5.85 -1.76 -0.61 115.31 122.53 3kip h LEU 28 Ca -0.46 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3kip h LEU 28 Cb 1.25 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3kip h LEU 28 CO 0.58 0.56 0.00 -1.54 -0.34 0.00 0.00 178.44 177.70 3kip n SER 29 N -4.56 0.00 -0.01 1.25 3.41 -1.26 -1.57 113.62 110.87 3kip n SER 29 Ca 0.17 0.27 -0.06 0.00 -0.26 0.00 0.00 58.87 58.99 3kip n SER 29 Cb 0.29 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 63.77 3kip n SER 29 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3kip h ASP 30 N 0.00 -0.09 -0.94 4.04 3.32 -1.49 -2.75 116.42 118.52 3kip h ASP 30 Ca 0.00 -0.30 0.23 0.00 0.02 0.00 0.00 57.03 56.98 3kip h ASP 30 Cb 0.35 0.02 -0.12 0.00 0.22 0.00 0.00 39.33 39.80 3kip h ASP 30 CO 0.00 0.53 0.47 0.40 -1.72 0.00 0.00 179.24 178.92 3kip h ILE 31 N -0.99 0.50 -0.12 0.35 2.04 -1.15 -1.40 117.51 116.73 3kip h ILE 31 Ca -0.01 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3kip h ILE 31 Cb 0.38 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3kip h ILE 31 CO 0.02 0.09 -0.06 -0.33 0.00 0.00 0.00 178.15 177.87 3kip h GLU 32 N 0.47 0.25 0.00 2.37 5.08 -1.37 -1.43 114.58 119.94 3kip h GLU 32 Ca 0.59 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.84 3kip h GLU 32 Cb 1.12 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 3kip h GLU 32 CO -0.51 0.59 -0.03 1.96 -1.00 0.00 0.00 179.01 180.02 3kip h GLN 33 N -0.10 0.00 0.16 2.33 1.08 -0.98 0.17 115.11 117.77 3kip h GLN 33 Ca 0.03 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.88 3kip h GLN 33 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 3kip h GLN 33 CO 0.02 0.03 -1.76 0.00 -0.95 0.00 0.00 178.83 176.16 3kip h ALA 34 N 1.97 0.23 0.30 3.87 0.00 -0.93 -2.66 119.26 122.04 3kip h ALA 34 Ca -0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 54.91 53.70 3kip h ALA 34 Cb 0.28 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3kip h ALA 34 CO 0.00 1.07 -0.18 0.00 0.00 0.00 0.00 179.25 180.14 3kip h ALA 35 N 0.07 -0.45 -0.74 0.00 0.00 -0.75 0.14 119.26 117.52 3kip h ALA 35 Ca -0.36 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.56 3kip h ALA 35 Cb 2.02 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.98 3kip h ALA 35 CO 0.13 -0.76 0.49 0.82 0.00 0.00 0.00 179.25 179.93 3kip h ILE 36 N -0.46 0.93 0.00 0.00 2.04 -1.01 -1.71 117.51 117.31 3kip h ILE 36 Ca -0.03 -0.22 -0.17 0.00 1.00 0.00 0.00 64.86 65.44 3kip h ILE 36 Cb 0.38 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 3kip h ILE 36 CO 0.03 0.12 -1.01 -0.33 0.00 0.00 0.00 178.15 176.96 3kip h GLU 37 N 0.64 0.00 -0.45 2.37 5.08 -1.20 -2.93 114.58 118.09 3kip h GLU 37 Ca 0.34 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.76 3kip h GLU 37 Cb 0.48 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 3kip h GLU 37 CO -0.12 0.57 0.18 0.37 -1.00 0.00 0.00 179.01 179.01 3kip h GLN 38 N 0.00 0.35 0.10 2.33 4.15 0.22 -1.70 115.11 120.56 3kip h GLN 38 Ca -0.08 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 3kip h GLN 38 Cb 1.61 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 29.22 3kip h GLN 38 CO 0.08 0.23 -0.05 0.00 -1.93 0.00 0.00 178.83 177.17 3kip h ALA 39 N 1.28 -0.13 -0.80 3.38 0.00 -1.57 -3.18 119.26 118.24 3kip h ALA 39 Ca 0.21 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.07 3kip h ALA 39 Cb 0.18 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 3kip h ALA 39 CO -0.20 -0.39 0.37 0.87 0.00 0.00 0.00 179.25 179.91 3kip h LYS 40 N -0.51 0.52 0.00 0.00 1.79 -1.45 -1.66 116.57 115.26 3kip h LYS 40 Ca -0.01 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3kip h LYS 40 Cb 0.42 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3kip h LYS 40 CO 0.02 0.34 0.00 -0.07 -1.08 0.00 0.00 179.45 178.66 3kip h LEU 41 N 0.53 0.00 0.00 2.94 -0.00 -1.29 0.21 115.31 117.70 3kip h LEU 41 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.32 3kip h LEU 41 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 3kip h LEU 41 CO -0.38 0.00 0.00 0.29 -0.00 0.00 0.00 178.44 178.35 3kip n LYS 42 N -2.70 0.31 -0.81 1.13 4.76 -0.62 -4.89 118.16 115.34 3kip n LYS 42 Ca -0.01 0.09 -0.04 0.00 -2.87 0.00 0.00 58.31 55.48 3kip n LYS 42 Cb 0.15 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.82 3kip n LYS 42 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kip n ASN 43 N -1.16 -3.00 -2.10 4.39 3.02 0.06 -4.79 115.26 111.68 3kip n ASN 43 Ca 0.08 0.10 -0.22 0.00 -0.03 0.00 0.00 54.58 54.51 3kip n ASN 43 Cb 0.09 -2.31 0.02 0.00 -0.61 0.00 0.00 39.78 36.97 3kip n ASN 43 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3kip n ASN 44 N 0.51 4.64 -3.91 6.41 6.94 -1.26 -4.92 115.26 123.67 3kip n ASN 44 Ca -0.04 -3.60 -0.29 0.00 -0.02 0.00 0.00 54.58 50.63 3kip n ASN 44 Cb 0.29 -0.35 0.02 0.00 -2.36 0.00 0.00 39.78 37.38 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 -0.69 -3.65 -4.77 0.53 8.00 -1.26 -4.98 116.55 109.71 3kip n ASP 45 Ca 0.41 -0.83 -0.23 0.00 0.71 0.00 0.00 54.79 54.85 3kip n ASP 45 Cb 0.95 -3.75 0.09 0.00 -0.02 0.00 0.00 41.12 38.38 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 -3.59 4.63 -0.29 -2.24 0.01 -1.26 -4.89 113.70 106.07 3kip s SER 46 Ca 0.50 -0.20 -0.17 0.00 1.31 0.00 0.00 55.95 57.38 3kip s SER 46 Cb -0.25 -0.34 0.18 0.00 0.21 0.00 0.00 66.02 65.82 3kip s SER 46 CO 0.84 -1.65 1.15 -0.70 0.41 0.00 0.00 173.24 173.29 3kip s GLU 47 N -5.05 0.21 -0.22 12.44 2.12 -0.29 -4.61 118.70 123.31 3kip s GLU 47 Ca 0.63 0.34 -0.00 0.00 0.36 0.00 0.00 54.97 56.30 3kip s GLU 47 Cb -0.07 0.05 0.02 0.00 0.26 0.00 0.00 34.13 34.40 3kip s GLU 47 CO 0.43 -0.04 -0.12 0.08 -0.54 0.00 0.00 175.26 175.06 3kip s VAL 48 N 1.02 2.51 0.37 3.70 1.01 -1.26 -0.20 120.40 127.55 3kip s VAL 48 Ca -0.06 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 60.84 3kip s VAL 48 Cb -0.03 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 3kip s VAL 48 CO -0.12 0.33 0.67 -0.76 0.00 0.00 0.00 175.10 175.22 3kip s LEU 49 N 1.30 3.89 0.04 3.92 1.43 -0.02 -4.65 118.68 124.58 3kip s LEU 49 Ca 0.01 0.86 0.08 0.00 -1.03 0.00 0.00 54.13 54.06 3kip s LEU 49 Cb -0.15 -3.74 -0.03 0.00 0.03 0.00 0.00 46.19 42.31 3kip s LEU 49 CO -0.08 -0.36 -0.22 0.68 0.23 0.00 0.00 176.35 176.60 3kip s VAL 50 N -2.35 1.80 -0.12 -1.59 -7.23 -1.26 -0.33 120.40 109.32 3kip s VAL 50 Ca 0.46 -1.24 -0.10 0.00 -1.81 0.00 0.00 61.98 59.29 3kip s VAL 50 Cb -0.10 -1.55 0.04 0.00 0.56 0.00 0.00 36.38 35.32 3kip s VAL 50 CO 0.34 0.26 0.32 0.12 -0.31 0.00 0.00 175.10 175.83 3kip s PHE 51 N -0.79 -0.37 0.04 2.82 5.36 0.30 -4.96 117.98 120.38 3kip s PHE 51 Ca 0.09 0.88 0.03 0.00 -0.96 0.00 0.00 56.93 56.97 3kip s PHE 51 Cb -0.09 0.12 -0.02 0.00 -0.34 0.00 0.00 43.02 42.69 3kip s PHE 51 CO 0.02 -0.19 -0.09 -1.14 -1.46 0.00 0.00 175.22 172.36 3kip s GLN 52 N 0.39 0.59 -0.05 10.12 -0.44 -1.26 -0.38 119.66 128.65 3kip s GLN 52 Ca -0.02 -0.69 -0.31 0.00 -2.50 0.00 0.00 55.36 51.84 3kip s GLN 52 Cb -0.04 -0.45 0.07 0.00 -1.64 0.00 0.00 33.01 30.96 3kip s GLN 52 CO -0.02 0.10 0.68 0.45 0.50 0.00 0.00 175.29 177.00 3kip s SER 53 N -1.33 -0.66 0.05 6.67 0.15 -1.01 -4.99 113.70 112.59 3kip s SER 53 Ca -0.06 0.70 0.23 0.00 0.70 0.00 0.00 55.95 57.53 3kip s SER 53 Cb -0.09 0.54 0.11 0.00 -1.71 0.00 0.00 66.02 64.87 3kip s SER 53 CO 0.01 -0.62 1.09 0.59 1.20 0.00 0.00 173.24 175.51 3kip n ASN 54 N 0.89 0.63 -4.54 5.45 3.02 -1.26 -2.42 115.26 117.03 3kip n ASN 54 Ca -0.19 -0.25 -0.41 0.00 -0.03 0.00 0.00 54.58 53.70 3kip n ASN 54 Cb 0.57 0.70 -0.09 0.00 -0.61 0.00 0.00 39.78 40.35 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 -3.16 5.14 0.23 3.41 2.01 -1.26 -4.62 115.64 117.39 3kip s THR 55 Ca 0.05 0.04 -0.14 0.00 0.31 0.00 0.00 61.69 61.95 3kip s THR 55 Cb 0.15 -3.87 0.29 0.00 0.01 0.00 0.00 72.50 69.08 3kip s THR 55 CO 0.79 -0.15 1.58 -0.08 -0.69 0.00 0.00 174.62 176.07 3kip h GLU 56 N 8.49 -0.04 -0.67 4.92 4.81 -2.00 -1.08 114.58 129.01 3kip h GLU 56 Ca -0.29 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.09 3kip h GLU 56 Cb 1.14 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 30.42 3kip h GLU 56 CO 0.72 -0.02 0.08 0.78 -0.73 0.00 0.00 179.01 179.83 3kip h GLY 57 N -0.04 0.82 1.53 1.92 0.00 -1.99 -0.32 103.07 104.98 3kip h GLY 57 Ca 0.35 0.03 -0.16 0.00 0.00 0.00 0.00 47.33 47.56 3kip h GLY 57 CO -0.85 -0.20 -0.55 0.74 0.00 0.00 0.00 176.54 175.67 3kip h PHE 58 N 0.18 0.62 -0.65 5.60 0.04 -1.64 0.13 116.94 121.22 3kip h PHE 58 Ca 0.37 -0.22 -0.07 0.00 2.80 0.00 0.00 57.97 60.85 3kip h PHE 58 Cb 0.61 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.62 3kip h PHE 58 CO -0.32 0.94 0.14 0.82 -0.60 0.00 0.00 178.31 179.28 3kip h ILE 59 N 0.38 1.26 -0.14 -0.55 2.04 -0.78 -0.56 117.51 119.16 3kip h ILE 59 Ca 0.01 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 64.90 3kip h ILE 59 Cb 1.09 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3kip h ILE 59 CO 0.10 0.37 0.08 0.40 0.00 0.00 0.00 178.15 179.10 3kip h ILE 60 N 0.98 1.07 -0.95 -0.67 2.04 -0.76 -2.09 117.51 117.14 3kip h ILE 60 Ca 0.20 -0.19 0.14 0.00 1.00 0.00 0.00 64.86 66.02 3kip h ILE 60 Cb 0.39 0.95 -0.09 0.00 -0.74 0.00 0.00 36.82 37.32 3kip h ILE 60 CO 0.01 0.07 0.57 0.44 0.00 0.00 0.00 178.15 179.23 3kip h ASP 61 N 0.15 0.78 -0.10 1.72 3.32 -0.44 -1.59 116.42 120.27 3kip h ASP 61 Ca 0.05 0.07 -0.15 0.00 0.02 0.00 0.00 57.03 57.02 3kip h ASP 61 Cb 0.04 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3kip h ASP 61 CO -0.01 0.37 -0.44 -0.09 -1.72 0.00 0.00 179.24 177.35 3kip h ARG 62 N 0.84 0.64 -0.40 3.56 9.65 -0.71 -1.62 114.38 126.34 3kip h ARG 62 Ca 0.50 -0.35 -0.10 0.00 -1.10 0.00 0.00 59.98 58.94 3kip h ARG 62 Cb 0.61 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.19 3kip h ARG 62 CO -0.31 0.95 -0.14 0.82 2.80 0.00 0.00 179.97 184.09 3kip h ILE 63 N 0.52 1.26 -0.28 1.20 2.04 -0.64 -0.17 117.51 121.43 3kip h ILE 63 Ca 0.04 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 3kip h ILE 63 Cb 0.97 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3kip h ILE 63 CO 0.09 0.40 0.13 0.45 0.00 0.00 0.00 178.15 179.22 3kip h HIS 64 N 0.66 0.42 -0.51 1.37 3.86 -0.46 -2.84 115.15 117.65 3kip h HIS 64 Ca 0.11 -0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.37 3kip h HIS 64 Cb 0.61 -0.13 -0.06 0.00 1.06 0.00 0.00 27.41 28.89 3kip h HIS 64 CO 0.03 0.39 0.15 1.49 0.86 0.00 0.00 177.93 180.85 3kip h GLU 65 N 0.32 0.29 -0.90 2.45 4.81 -1.04 -1.64 114.58 118.88 3kip h GLU 65 Ca 0.10 -0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.49 3kip h GLU 65 Cb 0.14 -0.07 -0.11 0.00 0.63 0.00 0.00 28.75 29.35 3kip h GLU 65 CO -0.01 0.19 0.46 0.00 -0.73 0.00 0.00 179.01 178.92 3kip h ALA 66 N 1.37 1.42 -0.25 2.92 0.00 -0.82 -0.11 119.26 123.78 3kip h ALA 66 Ca 0.25 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3kip h ALA 66 Cb 0.31 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kip h ALA 66 CO -0.29 -0.18 0.15 -0.22 0.00 0.00 0.00 179.25 178.71 3kip h LYS 67 N 0.57 0.33 -0.51 0.00 1.63 -1.07 -1.37 116.57 116.15 3kip h LYS 67 Ca 0.52 -0.03 0.14 0.00 -0.85 0.00 0.00 60.65 60.43 3kip h LYS 67 Cb 0.86 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.39 3kip h LYS 67 CO -0.43 0.26 0.36 0.00 -3.45 0.00 0.00 179.45 176.19 3kip h ARG 68 N 0.31 0.05 -0.00 1.90 3.08 -0.80 -1.44 114.38 117.48 3kip h ARG 68 Ca 0.09 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3kip h ARG 68 Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3kip h ARG 68 CO -0.02 0.03 -0.03 1.04 -1.07 0.00 0.00 179.97 179.92 3kip n GLN 69 N -4.40 0.94 -3.87 0.04 6.02 -0.61 -4.94 117.38 110.56 3kip n GLN 69 Ca 0.09 -0.23 -0.29 0.00 -0.01 0.00 0.00 57.00 56.56 3kip n GLN 69 Cb 0.55 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.35 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 1.15 -0.50 3.74 1.08 0.00 -0.54 -4.99 105.19 105.13 3kip n GLY 70 Ca 0.19 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.31 2.23 -0.53 1.61 1.01 -0.56 -4.78 120.40 116.06 3kip s VAL 71 Ca 0.64 0.18 0.18 0.00 0.00 0.00 0.00 61.98 62.97 3kip s VAL 71 Cb -0.32 -3.12 -0.22 0.00 0.00 0.00 0.00 36.38 32.73 3kip s VAL 71 CO 0.82 0.02 0.62 0.61 0.00 0.00 0.00 175.10 177.17 3kip n GLY 72 N 2.67 -0.72 3.54 4.51 0.00 0.30 -4.77 105.19 110.72 3kip n GLY 72 Ca 0.10 -0.47 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.87 -0.65 -0.07 1.61 2.19 -1.24 -4.33 117.98 112.62 3kip s PHE 73 Ca 0.02 1.21 0.03 0.00 0.33 0.00 0.00 56.93 58.52 3kip s PHE 73 Cb 0.13 0.39 0.01 0.00 -1.31 0.00 0.00 43.02 42.24 3kip s PHE 73 CO 0.73 -0.55 -0.15 0.08 1.83 0.00 0.00 175.22 177.17 3kip s VAL 74 N -0.92 1.32 -0.31 3.12 1.01 -0.34 -0.32 120.40 123.95 3kip s VAL 74 Ca -0.08 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 3kip s VAL 74 Cb -0.01 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.22 3kip s VAL 74 CO 0.08 0.39 0.09 -0.69 0.00 0.00 0.00 175.10 174.96 3kip s VAL 75 N 0.50 3.87 -0.06 2.92 1.01 0.11 -1.51 120.40 127.25 3kip s VAL 75 Ca -0.13 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.03 3kip s VAL 75 Cb -0.15 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 3kip s VAL 75 CO 0.04 -0.01 -0.19 -0.51 0.00 0.00 0.00 175.10 174.43 3kip s ILE 76 N 1.46 1.63 -0.52 2.22 2.07 -0.55 -0.51 121.20 127.00 3kip s ILE 76 Ca 0.01 -0.81 0.01 0.00 -1.41 0.00 0.00 60.65 58.45 3kip s ILE 76 Cb -0.18 -1.40 0.13 0.00 0.13 0.00 0.00 42.46 41.15 3kip s ILE 76 CO 0.02 0.46 0.28 0.21 -1.91 0.00 0.00 174.94 174.01 3kip s ASN 77 N 0.08 4.72 0.00 4.50 3.84 -0.59 -0.31 114.94 127.19 3kip s ASN 77 Ca -0.07 -2.79 0.07 0.00 0.21 0.00 0.00 52.86 50.29 3kip s ASN 77 Cb -0.13 -1.72 0.44 0.00 -0.55 0.00 0.00 41.25 39.29 3kip s ASN 77 CO 0.03 -0.31 0.86 0.00 -2.79 0.00 0.00 177.10 174.89 3kip n ALA 78 N 3.48 1.82 -0.32 1.71 0.00 -1.26 -1.20 120.51 124.74 3kip n ALA 78 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3kip n ALA 78 Cb 0.36 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.40 2.22 0.30 0.00 0.00 -1.26 -1.49 105.19 104.56 3kip n GLY 79 Ca 0.06 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.32 1.77 -0.09 4.61 0.00 -1.94 -0.62 119.26 122.68 3kip h ALA 80 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3kip h ALA 80 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3kip h ALA 80 CO 0.00 0.20 0.28 1.88 0.00 0.00 0.00 179.25 181.61 3kip h TYR 81 N 0.46 0.00 -0.63 0.00 0.05 -1.64 -0.99 116.97 114.22 3kip h TYR 81 Ca 0.14 0.00 0.11 0.00 0.05 0.00 0.00 58.73 59.02 3kip h TYR 81 Cb -0.02 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.68 3kip h TYR 81 CO -0.00 0.00 0.42 1.15 -1.05 0.00 0.00 178.16 178.68 3kip h THR 82 N 0.00 0.88 -0.01 -2.88 2.02 -1.15 -0.52 112.91 111.25 3kip h THR 82 Ca 0.04 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3kip h THR 82 Cb 0.60 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3kip h THR 82 CO -0.00 0.08 -0.54 1.41 0.37 0.00 0.00 175.52 176.84 3kip n HIS 83 N -4.47 0.00 0.00 3.16 8.25 -0.38 -0.24 115.22 121.54 3kip n HIS 83 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 3kip n HIS 83 Cb 0.40 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.68 0.00 -3.39 1.59 -2.24 -0.68 -4.78 114.28 104.09 3kip n THR 84 Ca 0.08 -0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.41 3kip n THR 84 Cb 0.39 0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.83 6.15 0.37 3.42 0.15 -0.29 -4.86 113.70 117.81 3kip s SER 85 Ca 0.00 -2.04 0.18 0.00 0.70 0.00 0.00 55.95 54.79 3kip s SER 85 Cb 0.00 -2.15 0.70 0.00 -1.71 0.00 0.00 66.02 62.86 3kip s SER 85 CO 0.00 -0.75 1.75 0.58 1.20 0.00 0.00 173.24 176.03 3kip h VAL 86 N 5.71 0.98 -0.17 4.45 2.07 -1.93 -3.22 116.25 124.14 3kip h VAL 86 Ca -0.19 -1.50 -0.20 0.00 0.82 0.00 0.00 66.70 65.63 3kip h VAL 86 Cb 1.08 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 3kip h VAL 86 CO 0.93 0.38 -0.71 1.23 0.02 0.00 0.00 177.57 179.42 3kip h GLY 87 N 1.84 0.79 0.55 2.17 0.00 -1.97 -0.76 103.07 105.68 3kip h GLY 87 Ca -0.00 -1.05 0.06 0.00 0.00 0.00 0.00 47.33 46.33 3kip h GLY 87 CO 0.05 0.94 0.09 -2.22 0.00 0.00 0.00 176.54 175.41 3kip h ILE 88 N 0.50 0.82 -0.38 2.60 2.04 -1.91 -1.13 117.51 120.06 3kip h ILE 88 Ca -0.03 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 65.83 3kip h ILE 88 Cb 1.32 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.90 3kip h ILE 88 CO 0.14 0.04 -0.08 -0.09 0.00 0.00 0.00 178.15 178.16 3kip h ARG 89 N 0.23 0.01 0.00 2.37 2.43 -1.40 -1.45 114.38 116.57 3kip h ARG 89 Ca 0.19 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 3kip h ARG 89 Cb 0.21 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3kip h ARG 89 CO -0.23 0.01 -0.26 -0.44 -1.51 0.00 0.00 179.97 177.54 3kip h ASP 90 N 0.01 0.00 -0.37 -3.80 3.32 -0.91 -1.82 116.42 112.85 3kip h ASP 90 Ca 0.18 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 3kip h ASP 90 Cb 0.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3kip h ASP 90 CO -0.38 0.26 -0.01 0.00 -1.72 0.00 0.00 179.24 177.39 3kip h ALA 91 N 1.74 0.50 -0.57 3.45 0.00 -0.26 0.44 119.26 124.56 3kip h ALA 91 Ca -0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3kip h ALA 91 Cb 0.47 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kip h ALA 91 CO 0.03 0.28 0.11 -0.07 0.00 0.00 0.00 179.25 179.60 3kip h LEU 92 N 0.48 0.89 -0.65 0.00 3.38 -0.99 -2.09 115.31 116.33 3kip h LEU 92 Ca 0.10 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 3kip h LEU 92 Cb 0.48 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3kip h LEU 92 CO 0.02 0.92 -0.58 -0.07 0.09 0.00 0.00 178.44 178.82 3kip h LEU 93 N 0.83 0.00 -0.77 1.67 3.38 -1.25 -0.64 115.31 118.52 3kip h LEU 93 Ca 0.17 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 3kip h LEU 93 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3kip h LEU 93 CO 0.01 0.58 -0.17 1.23 0.09 0.00 0.00 178.44 180.17 3kip h GLY 94 N 2.23 0.81 0.33 0.83 0.00 0.15 -2.89 103.07 104.52 3kip h GLY 94 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.67 3kip h GLY 94 CO 0.07 0.60 -0.75 -1.30 0.00 0.00 0.00 176.54 175.17 3kip n THR 95 N -4.14 0.00 -1.80 4.70 -2.24 -0.81 -4.97 114.28 105.03 3kip n THR 95 Ca 0.01 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 3kip n THR 95 Cb 0.40 0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 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 -1.37 -0.27 -2.71 6.98 0.00 -0.26 -4.96 120.51 117.92 3kip n ALA 96 Ca 0.05 0.15 -0.39 0.00 0.00 0.00 0.00 53.44 53.25 3kip n ALA 96 Cb 0.34 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.53 5.07 0.84 0.00 1.01 -1.15 -5.04 121.20 119.39 3kip s ILE 97 Ca 0.00 1.29 -0.11 0.00 0.00 0.00 0.00 60.65 61.83 3kip s ILE 97 Cb 0.00 -3.98 0.09 0.00 0.01 0.00 0.00 42.46 38.59 3kip s ILE 97 CO 0.00 0.23 1.09 -2.16 0.00 0.00 0.00 174.94 174.11 3kip s PRO 98 N 1.02 1.75 0.19 2.79 0.04 -1.26 -4.81 135.00 134.71 3kip s PRO 98 Ca 0.33 0.79 -0.23 0.00 0.04 0.00 0.00 61.00 61.94 3kip s PRO 98 Cb -0.17 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.56 3kip s PRO 98 CO 0.15 -1.89 0.65 -0.59 0.04 0.00 0.00 177.00 175.36 3kip s PHE 99 N -3.02 -0.42 -0.08 0.56 -0.71 -1.26 -1.20 117.98 111.85 3kip s PHE 99 Ca 0.62 0.15 0.05 0.00 -1.04 0.00 0.00 56.93 56.70 3kip s PHE 99 Cb -0.16 0.60 -0.01 0.00 -1.21 0.00 0.00 43.02 42.24 3kip s PHE 99 CO 0.56 -0.94 -0.23 0.42 -1.34 0.00 0.00 175.22 173.68 3kip s ILE 100 N -3.76 2.22 -0.16 -4.49 1.01 -0.57 -0.58 121.20 114.87 3kip s ILE 100 Ca 0.04 -0.99 -0.15 0.00 0.00 0.00 0.00 60.65 59.55 3kip s ILE 100 Cb -0.02 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 3kip s ILE 100 CO -0.07 0.56 0.36 -0.70 0.00 0.00 0.00 174.94 175.09 3kip s GLU 101 N 0.01 4.26 -0.04 2.79 2.12 -0.62 -1.48 118.70 125.73 3kip s GLU 101 Ca -0.08 0.20 0.06 0.00 0.36 0.00 0.00 54.97 55.51 3kip s GLU 101 Cb -0.15 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.76 3kip s GLU 101 CO 0.05 0.15 -0.23 0.08 -0.54 0.00 0.00 175.26 174.78 3kip s VAL 102 N 0.71 2.33 -0.13 3.70 1.01 0.57 -0.74 120.40 127.86 3kip s VAL 102 Ca 0.19 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3kip s VAL 102 Cb -0.14 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.41 3kip s VAL 102 CO 0.06 0.58 -0.15 -1.00 0.00 0.00 0.00 175.10 174.59 3kip s HIS 103 N -0.54 2.08 0.25 5.22 3.76 -0.38 -4.17 115.29 121.50 3kip s HIS 103 Ca 0.08 -1.06 -0.03 0.00 -0.15 0.00 0.00 55.06 53.89 3kip s HIS 103 Cb -0.11 -1.51 0.46 0.00 1.11 0.00 0.00 32.58 32.54 3kip s HIS 103 CO 0.00 -0.56 1.76 0.82 -0.85 0.00 0.00 174.74 175.91 3kip h ILE 104 N 5.99 0.75 -0.75 0.60 2.04 -1.88 -0.96 117.51 123.30 3kip h ILE 104 Ca -0.34 -0.20 -0.61 0.00 1.00 0.00 0.00 64.86 64.71 3kip h ILE 104 Cb 1.16 0.11 -0.08 0.00 -0.74 0.00 0.00 36.82 37.27 3kip h ILE 104 CO 0.51 0.11 -0.41 0.42 0.00 0.00 0.00 178.15 178.77 3kip s THR 105 N -6.01 1.67 -0.77 -0.27 -4.23 -1.26 -1.46 115.64 103.31 3kip s THR 105 Ca -0.12 -1.69 -0.21 0.00 -1.18 0.00 0.00 61.69 58.49 3kip s THR 105 Cb 0.20 -2.36 0.10 0.00 1.34 0.00 0.00 72.50 71.79 3kip s THR 105 CO 0.77 0.00 1.01 0.21 -0.54 0.00 0.00 174.62 176.07 3kip s ASN 106 N -4.07 6.37 0.50 3.99 3.04 -1.26 -2.47 114.94 121.04 3kip s ASN 106 Ca 0.27 -1.49 0.31 0.00 0.04 0.00 0.00 52.86 52.00 3kip s ASN 106 Cb 0.00 -2.40 1.42 0.00 -1.54 0.00 0.00 41.25 38.73 3kip s ASN 106 CO 0.16 -1.25 1.80 -0.37 -3.04 0.00 0.00 177.10 174.40 3kip h VAL 107 N 5.91 0.44 0.00 -5.21 -1.51 -1.92 0.08 116.25 114.05 3kip h VAL 107 Ca -0.10 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 3kip h VAL 107 Cb 1.05 0.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 3kip h VAL 107 CO 1.14 0.02 0.00 0.45 -1.23 0.00 0.00 177.57 177.95 3kip h HIS 108 N 0.11 0.00 -0.01 5.19 3.86 -1.89 -0.72 115.15 121.69 3kip h HIS 108 Ca 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.78 3kip h HIS 108 Cb 2.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.49 3kip h HIS 108 CO -0.00 0.00 -0.06 1.04 0.86 0.00 0.00 177.93 179.76 3kip n GLN 109 N -2.38 1.11 -2.98 2.45 6.02 0.02 -4.94 117.38 116.67 3kip n GLN 109 Ca 0.00 -0.47 -0.14 0.00 -0.01 0.00 0.00 57.00 56.39 3kip n GLN 109 Cb 0.15 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.90 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 -0.54 1.36 -1.55 -1.09 5.12 -0.28 -5.06 116.66 114.62 3kip n ARG 110 Ca 0.18 -1.60 -0.48 0.00 -1.93 0.00 0.00 57.85 54.02 3kip n ARG 110 Cb 0.28 0.35 -0.03 0.00 -1.16 0.00 0.00 32.46 31.90 3kip n ARG 110 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3kip n GLU 111 N -0.72 0.95 -0.33 5.56 4.71 -1.26 -4.81 120.64 124.74 3kip n GLU 111 Ca -0.07 0.34 0.21 0.00 -0.01 0.00 0.00 57.16 57.63 3kip n GLU 111 Cb 0.28 -1.72 0.47 0.00 -1.01 0.00 0.00 31.44 29.46 3kip n GLU 111 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3kip h PRO 112 N 2.59 0.45 -0.22 3.49 0.11 -1.94 0.28 132.00 136.76 3kip h PRO 112 Ca -0.40 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.75 3kip h PRO 112 Cb 1.36 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3kip h PRO 112 CO 0.65 0.30 0.39 0.27 -0.21 0.00 0.00 178.00 179.40 3kip h PHE 113 N 0.46 0.00 0.00 0.65 -5.15 -1.98 -1.26 116.94 109.67 3kip h PHE 113 Ca 0.60 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.37 3kip h PHE 113 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.56 3kip h PHE 113 CO -0.00 0.00 -0.27 0.54 -2.00 0.00 0.00 178.31 176.57 3kip n ARG 114 N -3.36 0.00 0.26 6.09 1.74 0.97 -3.02 116.66 119.35 3kip n ARG 114 Ca 0.03 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.24 3kip n ARG 114 Cb 0.51 -1.50 0.69 0.00 -1.02 0.00 0.00 32.46 31.13 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 -3.77 -1.55 3.86 -1.34 -3.43 115.15 108.92 3kip h HIS 115 Ca 0.00 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.72 3kip h HIS 115 Cb 0.50 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 3kip h HIS 115 CO 0.00 0.13 0.24 -0.65 0.86 0.00 0.00 177.93 178.51 3kip s GLN 116 N -4.03 4.40 -0.04 2.45 -1.52 -1.17 -5.07 119.66 114.69 3kip s GLN 116 Ca -0.02 1.10 -0.03 0.00 -1.95 0.00 0.00 55.36 54.46 3kip s GLN 116 Cb 0.12 -2.76 0.02 0.00 -0.22 0.00 0.00 33.01 30.16 3kip s GLN 116 CO 0.58 0.29 0.11 0.45 -0.25 0.00 0.00 175.29 176.47 3kip s SER 117 N -1.71 -0.09 0.00 5.90 0.15 -1.26 -4.35 113.70 112.34 3kip s SER 117 Ca 0.49 0.21 0.22 0.00 0.70 0.00 0.00 55.95 57.57 3kip s SER 117 Cb -0.17 0.18 0.60 0.00 -1.71 0.00 0.00 66.02 64.93 3kip s SER 117 CO 0.21 -0.07 1.48 -1.22 1.20 0.00 0.00 173.24 174.85 3kip n TYR 118 N 3.36 0.28 -0.10 3.44 4.01 0.67 -4.22 117.16 124.61 3kip n TYR 118 Ca -0.16 -0.14 -0.11 0.00 -0.16 0.00 0.00 57.90 57.33 3kip n TYR 118 Cb 0.57 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.46 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 0.83 0.62 -0.25 7.72 4.77 -1.26 -4.70 117.00 124.73 3kip n LEU 119 Ca 0.17 -0.03 0.05 0.00 -0.03 0.00 0.00 56.01 56.18 3kip n LEU 119 Cb 0.46 0.19 0.18 0.00 -2.33 0.00 0.00 43.42 41.91 3kip n LEU 119 CO 0.14 0.55 0.95 0.28 -1.33 0.00 0.00 177.39 177.98 3kip h SER 120 N 0.00 0.06 0.77 -1.43 0.02 -1.93 -0.46 113.55 110.58 3kip h SER 120 Ca -0.50 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3kip h SER 120 Cb 2.06 0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.78 3kip h SER 120 CO 0.00 -0.01 0.00 -0.90 -1.14 0.00 0.00 176.83 174.78 3kip n ASP 121 N -5.13 0.00 -0.00 3.07 5.75 -1.26 -2.85 116.55 116.13 3kip n ASP 121 Ca 0.14 0.25 0.05 0.00 -0.01 0.00 0.00 54.79 55.22 3kip n ASP 121 Cb 0.45 -0.41 -0.06 0.00 -1.03 0.00 0.00 41.12 40.06 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 -1.41 3.27 -1.92 0.11 4.76 -0.62 -5.01 118.16 117.33 3kip n LYS 122 Ca 0.09 -0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.17 3kip n LYS 122 Cb 0.28 -1.03 0.04 0.00 -1.84 0.00 0.00 35.03 32.49 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 -2.06 2.49 0.14 7.82 0.00 -0.28 -4.80 121.76 125.07 3kip s ALA 123 Ca 0.04 0.99 -0.12 0.00 0.00 0.00 0.00 51.96 52.87 3kip s ALA 123 Cb 0.08 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 3kip s ALA 123 CO 0.45 -1.27 1.53 0.28 0.00 0.00 0.00 175.76 176.75 3kip h VAL 124 N 0.70 1.27 -3.58 0.00 2.07 -1.16 -3.47 116.25 112.09 3kip h VAL 124 Ca -0.50 -1.35 -0.07 0.00 0.82 0.00 0.00 66.70 65.60 3kip h VAL 124 Cb 1.30 1.21 -0.13 0.00 -1.52 0.00 0.00 31.29 32.14 3kip h VAL 124 CO 0.54 0.46 -0.19 0.00 0.02 0.00 0.00 177.57 178.40 3kip s ALA 125 N -4.66 -0.60 -0.13 1.67 0.00 -1.25 -5.05 121.76 111.74 3kip s ALA 125 Ca -0.12 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.52 3kip s ALA 125 Cb 0.11 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.89 3kip s ALA 125 CO 0.85 -0.60 -0.11 0.08 0.00 0.00 0.00 175.76 175.98 3kip s VAL 126 N -3.84 1.32 -0.20 0.00 1.01 -1.26 -1.60 120.40 115.83 3kip s VAL 126 Ca 0.05 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 3kip s VAL 126 Cb 0.03 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 3kip s VAL 126 CO -0.10 0.42 -0.05 -0.63 0.00 0.00 0.00 175.10 174.73 3kip s ILE 127 N 1.52 3.38 -0.09 2.22 1.01 0.08 -4.98 121.20 124.33 3kip s ILE 127 Ca 0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 3kip s ILE 127 Cb -0.13 -2.52 0.05 0.00 0.01 0.00 0.00 42.46 39.87 3kip s ILE 127 CO -0.09 0.44 0.19 0.00 0.00 0.00 0.00 174.94 175.49 3kip n GLY 129 N 4.79 0.89 1.43 0.00 0.00 -0.36 -4.65 105.19 107.29 3kip n GLY 129 Ca -0.15 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 45.86 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 4.18 0.00 0.99 7.94 -1.22 -4.73 117.00 124.16 3kip n LEU 130 Ca 0.00 -2.12 0.00 0.00 -1.11 0.00 0.00 56.01 52.78 3kip n LEU 130 Cb 0.00 -0.60 0.00 0.00 0.53 0.00 0.00 43.42 43.35 3kip n LEU 130 CO 0.00 0.54 0.00 0.61 -1.11 0.00 0.00 177.39 177.43 3kip n GLY 131 N 0.57 -0.04 0.24 -3.96 0.00 -0.54 -3.19 105.19 98.27 3kip n GLY 131 Ca 0.20 -0.98 0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 0.78 -0.00 1.61 2.07 -1.95 -2.59 116.25 116.18 3kip h VAL 132 Ca 0.00 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3kip h VAL 132 Cb 0.00 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3kip h VAL 132 CO 0.00 0.18 0.01 0.22 0.02 0.00 0.00 177.57 178.00 3kip h TYR 133 N 0.00 0.00 -0.60 1.57 3.20 -1.95 -1.57 116.97 117.62 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 0.43 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 38.59 3kip h TYR 133 CO 0.00 0.00 -0.44 0.78 -1.64 0.00 0.00 178.16 176.86 3kip h GLY 134 N 0.00 -0.47 0.99 1.82 0.00 -1.44 0.12 103.07 104.09 3kip h GLY 134 Ca 0.00 0.58 0.01 0.00 0.00 0.00 0.00 47.33 47.91 3kip h GLY 134 CO -0.00 -0.15 0.35 -0.97 0.00 0.00 0.00 176.54 175.77 3kip h TYR 135 N -0.22 0.67 -0.47 5.60 0.05 -1.51 -1.53 116.97 119.57 3kip h TYR 135 Ca 0.18 0.02 0.08 0.00 0.05 0.00 0.00 58.73 59.05 3kip h TYR 135 Cb 0.56 -0.23 -0.06 0.00 1.01 0.00 0.00 36.73 38.01 3kip h TYR 135 CO -0.73 0.42 0.10 1.15 -1.05 0.00 0.00 178.16 178.05 3kip h THR 136 N 0.72 0.75 -0.51 -2.88 2.02 -1.28 -1.48 112.91 110.24 3kip h THR 136 Ca 0.20 -0.08 -0.12 0.00 0.77 0.00 0.00 66.41 67.17 3kip h THR 136 Cb -0.07 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 3kip h THR 136 CO -0.05 0.04 -0.16 0.00 0.37 0.00 0.00 175.52 175.72 3kip h ALA 137 N 1.36 0.73 -0.86 6.16 0.00 -0.07 -2.28 119.26 124.30 3kip h ALA 137 Ca 0.23 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3kip h ALA 137 Cb 0.30 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3kip h ALA 137 CO -0.30 0.67 0.43 0.00 0.00 0.00 0.00 179.25 180.06 3kip h ALA 138 N 0.91 1.11 -0.26 0.00 0.00 -1.02 -2.10 119.26 117.90 3kip h ALA 138 Ca 0.13 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3kip h ALA 138 Cb 0.74 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3kip h ALA 138 CO 0.06 0.66 -0.22 0.82 0.00 0.00 0.00 179.25 180.57 3kip h ILE 139 N 1.22 1.26 -0.39 0.00 2.04 -1.10 -0.60 117.51 119.94 3kip h ILE 139 Ca 0.30 -1.21 -0.11 0.00 1.00 0.00 0.00 64.86 64.83 3kip h ILE 139 Cb 0.10 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3kip h ILE 139 CO -0.04 0.39 -0.21 -0.33 0.00 0.00 0.00 178.15 177.95 3kip h GLU 140 N 0.44 0.76 -0.32 2.37 4.39 -0.96 -0.19 114.58 121.07 3kip h GLU 140 Ca 0.07 -0.30 -0.14 0.00 0.34 0.00 0.00 59.36 59.33 3kip h GLU 140 Cb 0.63 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3kip h GLU 140 CO 0.04 0.91 -0.33 -0.92 -1.16 0.00 0.00 179.01 177.55 3kip h TYR 141 N 0.67 0.95 0.07 4.33 5.03 -1.02 -3.01 116.97 123.98 3kip h TYR 141 Ca 0.10 -0.29 0.00 0.00 2.58 0.00 0.00 58.73 61.12 3kip h TYR 141 Cb 0.72 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.79 3kip h TYR 141 CO 0.04 1.07 -0.07 0.00 -1.32 0.00 0.00 178.16 177.87 3kip h ALA 142 N 0.72 -0.13 0.00 1.82 0.00 -0.73 -1.80 119.26 119.14 3kip h ALA 142 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kip h ALA 142 Cb 0.91 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3kip h ALA 142 CO 0.08 -0.59 0.00 1.28 0.00 0.00 0.00 179.25 180.02 3kip n LEU 143 N -5.18 0.00 -0.85 0.00 4.77 -0.12 -1.23 117.00 114.39 3kip n LEU 143 Ca -0.07 0.29 0.06 0.00 -0.03 0.00 0.00 56.01 56.25 3kip n LEU 143 Cb 0.11 -0.29 0.23 0.00 -2.33 0.00 0.00 43.42 41.14 3kip n LEU 143 CO 0.32 -0.13 0.69 0.59 -1.33 0.00 0.00 177.39 177.52 3kip n ASN 144 N -1.29 3.34 -4.56 -1.43 4.13 -0.69 -4.59 115.26 110.17 3kip n ASN 144 Ca 0.08 -3.21 -0.37 0.00 1.68 0.00 0.00 54.58 52.75 3kip n ASN 144 Cb 0.13 -0.55 -0.11 0.00 -1.54 0.00 0.00 39.78 37.71 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 -2.94 3.20 0.00 3.10 5.04 -0.37 -4.96 117.35 120.42 3kip s TYR 145 Ca 0.41 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 3kip s TYR 145 Cb 0.35 -2.32 0.00 0.00 0.35 0.00 0.00 41.96 40.34 3kip s TYR 145 CO 0.06 -0.17 0.00 0.94 -1.34 0.00 0.00 175.55 175.04 3kip n GLN 146 N 4.86 0.00 0.00 4.97 -0.06 -1.26 -2.22 117.38 123.66 3kip n GLN 146 Ca -0.15 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 54.95 3kip n GLN 146 Cb 0.52 0.00 0.56 0.00 -4.06 0.00 0.00 30.24 27.26 3kip n GLN 146 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75