#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kip s LEU 0 N 0.00 3.18 0.13 1.69 1.43 -1.26 -4.58 118.68 119.27 3kip s LEU 0 Ca 0.00 1.45 -0.31 0.00 -1.03 0.00 0.00 54.13 54.24 3kip s LEU 0 Cb 0.00 -4.44 -0.09 0.00 0.03 0.00 0.00 46.19 41.69 3kip s LEU 0 CO 0.00 -1.04 1.48 -0.69 0.23 0.00 0.00 176.35 176.33 3kip s VAL 1 N -3.16 3.00 -0.25 -1.59 1.01 -0.87 -4.97 120.40 113.57 3kip s VAL 1 Ca 0.56 0.70 -0.07 0.00 0.00 0.00 0.00 61.98 63.17 3kip s VAL 1 Cb -0.12 -3.45 -0.16 0.00 0.00 0.00 0.00 36.38 32.65 3kip s VAL 1 CO 0.54 0.05 -0.18 0.29 0.00 0.00 0.00 175.10 175.81 3kip n LYS 2 N 4.07 0.63 -3.76 2.72 4.76 -1.26 -4.72 118.16 120.60 3kip n LYS 2 Ca 0.13 0.24 -0.37 0.00 -2.87 0.00 0.00 58.31 55.44 3kip n LYS 2 Cb 0.41 -1.55 -0.13 0.00 -1.84 0.00 0.00 35.03 31.92 3kip n LYS 2 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3kip s LYS 3 N -2.51 3.40 -0.04 1.97 2.47 -1.26 -0.20 119.74 123.57 3kip s LYS 3 Ca -0.35 -0.65 0.05 0.00 -1.56 0.00 0.00 55.97 53.47 3kip s LYS 3 Cb 0.11 -3.33 -0.01 0.00 -1.46 0.00 0.00 37.83 33.14 3kip s LYS 3 CO 0.58 -0.30 -0.19 0.08 0.16 0.00 0.00 175.35 175.68 3kip s VAL 4 N 1.56 1.55 -0.22 4.02 1.01 -0.34 -1.18 120.40 126.80 3kip s VAL 4 Ca 0.05 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 3kip s VAL 4 Cb -0.16 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 3kip s VAL 4 CO 0.03 0.44 -0.02 -0.22 0.00 0.00 0.00 175.10 175.32 3kip s LEU 5 N -0.14 3.00 -0.31 3.92 2.96 0.66 0.14 118.68 128.91 3kip s LEU 5 Ca -0.00 -0.35 -0.16 0.00 -0.22 0.00 0.00 54.13 53.40 3kip s LEU 5 Cb -0.11 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 3kip s LEU 5 CO 0.01 -0.01 0.42 -0.22 -1.32 0.00 0.00 176.35 175.24 3kip s LEU 6 N 1.43 4.23 -0.11 -0.68 2.96 0.19 -0.68 118.68 126.04 3kip s LEU 6 Ca 0.05 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 3kip s LEU 6 Cb -0.14 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 44.07 3kip s LEU 6 CO -0.02 -0.32 -0.18 -0.63 -1.32 0.00 0.00 176.35 173.88 3kip s ILE 7 N 2.17 2.57 -0.06 6.68 1.01 -0.39 -0.58 121.20 132.61 3kip s ILE 7 Ca 0.16 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 60.02 3kip s ILE 7 Cb -0.16 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 3kip s ILE 7 CO 0.11 0.54 -0.24 0.20 0.00 0.00 0.00 174.94 175.56 3kip s ASN 8 N 0.27 3.18 0.03 3.58 -0.87 0.01 -0.52 114.94 120.61 3kip s ASN 8 Ca -0.13 -0.48 0.00 0.00 -1.57 0.00 0.00 52.86 50.68 3kip s ASN 8 Cb -0.16 -0.88 0.00 0.00 -0.02 0.00 0.00 41.25 40.19 3kip s ASN 8 CO 0.07 0.25 0.00 0.61 -2.57 0.00 0.00 177.10 175.46 3kip n GLY 9 N 2.93 0.50 3.74 0.66 0.00 0.14 -2.61 105.19 110.55 3kip n GLY 9 Ca -0.17 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.64 3kip n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kip s PRO 10 N 1.21 2.80 0.00 1.61 0.04 -1.06 -2.66 135.00 136.95 3kip s PRO 10 Ca 0.00 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.21 3kip s PRO 10 Cb 0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3kip s PRO 10 CO 0.00 -1.43 0.00 0.09 0.04 0.00 0.00 177.00 175.70 3kip n ASN 11 N -1.51 0.00 0.26 6.66 3.02 -1.26 -4.47 115.26 117.95 3kip n ASN 11 Ca 0.13 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.86 3kip n ASN 11 Cb 0.46 -0.04 0.87 0.00 -0.61 0.00 0.00 39.78 40.46 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 -2.43 3.41 3.38 -1.87 0.24 115.31 118.04 3kip h LEU 12 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 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 0.14 -0.55 0.09 0.00 0.00 178.44 178.12 3kip h ASN 13 N 0.00 0.00 -0.02 -0.43 -1.07 -1.88 -2.78 115.58 109.41 3kip h ASN 13 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3kip h ASN 13 Cb 0.16 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.41 3kip h ASN 13 CO 0.00 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.68 3kip n LEU 14 N -3.49 1.12 -4.77 6.14 4.77 0.85 -4.62 117.00 117.00 3kip n LEU 14 Ca -0.01 -0.38 -0.38 0.00 -0.03 0.00 0.00 56.01 55.21 3kip n LEU 14 Cb 0.23 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 3kip n LEU 14 CO 0.23 0.19 0.63 -1.48 -1.33 0.00 0.00 177.39 175.63 3kip s LEU 15 N -1.97 4.43 -0.42 2.23 2.34 -1.05 -1.26 118.68 122.98 3kip s LEU 15 Ca 0.40 1.83 0.03 0.00 0.06 0.00 0.00 54.13 56.45 3kip s LEU 15 Cb 0.21 -3.86 0.12 0.00 -0.56 0.00 0.00 46.19 42.10 3kip s LEU 15 CO 0.34 0.01 0.15 -0.83 -1.06 0.00 0.00 176.35 174.96 3kip s GLY 16 N -1.49 2.04 -0.17 -3.48 0.00 -1.13 -2.90 107.32 100.19 3kip s GLY 16 Ca 0.47 -2.76 0.16 0.00 0.00 0.00 0.00 44.72 42.58 3kip s GLY 16 CO 0.26 1.08 1.50 -1.30 0.00 0.00 0.00 173.10 174.64 3kip n THR 17 N 3.78 2.27 -0.04 0.90 -2.24 -0.39 -4.52 114.28 114.05 3kip n THR 17 Ca 0.04 -1.67 -0.08 0.00 -2.27 0.00 0.00 64.05 60.07 3kip n THR 17 Cb 0.37 -0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 3kip n THR 17 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3kip n ARG 18 N -0.08 0.16 0.00 -0.78 0.63 -1.26 -5.18 116.66 110.15 3kip n ARG 18 Ca 0.22 0.07 0.10 0.00 -0.92 0.00 0.00 57.85 57.32 3kip n ARG 18 Cb 0.93 -0.82 0.01 0.00 0.45 0.00 0.00 32.46 33.03 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 -3.27 0.00 -4.27 -0.14 9.36 -1.26 -5.09 117.16 112.50 3kip n TYR 23 Ca -0.15 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 60.87 3kip n TYR 23 Cb 0.61 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 39.21 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 -2.29 1.17 0.00 2.98 0.00 -1.26 -5.01 107.32 102.91 3kip s GLY 24 Ca 0.18 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.60 3kip s GLY 24 CO 0.50 -1.35 0.00 -1.30 0.00 0.00 0.00 173.10 170.96 3kip n THR 25 N 0.66 0.00 -2.81 0.90 -2.24 -1.26 -4.55 114.28 104.98 3kip n THR 25 Ca -0.16 -0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 3kip n THR 25 Cb 0.56 -0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 68.21 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 1.09 4.68 0.53 4.28 2.01 -1.26 -4.74 115.64 122.23 3kip s THR 26 Ca 0.00 1.45 0.01 0.00 0.31 0.00 0.00 61.69 63.47 3kip s THR 26 Cb 0.00 -4.26 0.03 0.00 0.01 0.00 0.00 72.50 68.28 3kip s THR 26 CO 0.00 -0.33 0.75 -0.94 -0.69 0.00 0.00 174.62 173.41 3kip s SER 27 N 1.60 5.36 0.25 3.53 1.04 -1.26 -2.83 113.70 121.39 3kip s SER 27 Ca 0.38 0.00 -0.06 0.00 0.48 0.00 0.00 55.95 56.76 3kip s SER 27 Cb -0.13 -0.94 0.27 0.00 0.10 0.00 0.00 66.02 65.31 3kip s SER 27 CO 0.13 -1.07 1.93 0.25 0.98 0.00 0.00 173.24 175.46 3kip h LEU 28 N 0.14 1.14 -0.52 2.42 5.85 -1.75 -2.79 115.31 119.80 3kip h LEU 28 Ca -0.42 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 3kip h LEU 28 Cb 1.29 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3kip h LEU 28 CO 0.52 0.84 0.19 -1.28 -0.34 0.00 0.00 178.44 178.37 3kip h SER 29 N 1.34 0.74 -0.67 1.25 0.87 -1.93 -1.83 113.55 113.32 3kip h SER 29 Ca 0.36 -0.19 0.07 0.00 -1.23 0.00 0.00 61.79 60.80 3kip h SER 29 Cb -0.14 -0.19 -0.10 0.00 -0.44 0.00 0.00 62.40 61.53 3kip h SER 29 CO -0.08 0.73 -0.55 0.44 -0.53 0.00 0.00 176.83 176.84 3kip h ASP 30 N 0.71 -1.93 -0.72 6.23 3.32 -1.91 0.53 116.42 122.65 3kip h ASP 30 Ca 0.17 0.28 0.08 0.00 0.02 0.00 0.00 57.03 57.58 3kip h ASP 30 Cb 0.24 0.83 -0.07 0.00 0.22 0.00 0.00 39.33 40.55 3kip h ASP 30 CO -0.01 -0.33 0.38 0.40 -1.72 0.00 0.00 179.24 177.96 3kip h ILE 31 N -0.22 0.89 -0.31 0.35 2.04 -1.23 -0.89 117.51 118.15 3kip h ILE 31 Ca 0.13 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 3kip h ILE 31 Cb 0.52 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3kip h ILE 31 CO -0.75 0.12 0.09 -0.33 0.00 0.00 0.00 178.15 177.28 3kip h GLU 32 N 0.66 0.49 -0.33 2.37 5.08 -0.43 -1.67 114.58 120.74 3kip h GLU 32 Ca 0.34 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.52 3kip h GLU 32 Cb 0.31 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3kip h GLU 32 CO -0.24 0.55 -0.06 1.96 -1.00 0.00 0.00 179.01 180.22 3kip h GLN 33 N 0.34 0.63 -0.24 2.33 1.08 0.66 -2.22 115.11 117.69 3kip h GLN 33 Ca 0.10 -0.23 0.06 0.00 -1.45 0.00 0.00 58.65 57.13 3kip h GLN 33 Cb 0.27 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.59 3kip h GLN 33 CO -0.00 0.79 -0.20 0.00 -0.95 0.00 0.00 178.83 178.47 3kip h ALA 34 N 0.82 -0.06 -0.18 3.87 0.00 -1.14 -0.95 119.26 121.62 3kip h ALA 34 Ca 0.09 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3kip h ALA 34 Cb 0.55 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3kip h ALA 34 CO 0.03 -0.62 -0.14 0.00 0.00 0.00 0.00 179.25 178.51 3kip h ALA 35 N 0.90 -0.01 -0.16 0.00 0.00 -1.20 0.27 119.26 119.06 3kip h ALA 35 Ca 0.14 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3kip h ALA 35 Cb 0.41 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 3kip h ALA 35 CO -0.36 -0.58 -0.38 0.82 0.00 0.00 0.00 179.25 178.75 3kip h ILE 36 N -0.15 0.20 -0.16 0.00 2.04 -0.76 -1.86 117.51 116.82 3kip h ILE 36 Ca 0.11 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 3kip h ILE 36 Cb 0.32 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3kip h ILE 36 CO -0.27 0.00 0.01 -0.08 0.00 0.00 0.00 178.15 177.81 3kip h GLU 37 N -0.44 0.23 -0.26 2.37 4.57 -0.98 -2.28 114.58 117.79 3kip h GLU 37 Ca 0.09 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.30 3kip h GLU 37 Cb 0.59 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.07 3kip h GLU 37 CO -0.40 0.25 -0.17 0.37 -1.18 0.00 0.00 179.01 177.88 3kip h GLN 38 N 0.23 -0.14 0.21 1.92 4.15 0.38 -1.92 115.11 119.93 3kip h GLN 38 Ca 0.06 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 3kip h GLN 38 Cb 0.14 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.87 3kip h GLN 38 CO 0.00 -0.09 -0.10 0.00 -1.93 0.00 0.00 178.83 176.71 3kip h ALA 39 N 1.02 -0.28 -0.41 3.38 0.00 -1.19 -2.86 119.26 118.93 3kip h ALA 39 Ca 0.14 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.01 3kip h ALA 39 Cb 0.36 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3kip h ALA 39 CO -0.35 -0.52 0.29 0.87 0.00 0.00 0.00 179.25 179.55 3kip h LYS 40 N -0.56 0.01 -2.02 0.00 1.57 -1.29 -1.48 116.57 112.80 3kip h LYS 40 Ca -0.03 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3kip h LYS 40 Cb 0.41 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3kip h LYS 40 CO 0.05 0.00 -0.01 1.28 -0.57 0.00 0.00 179.45 180.20 3kip n LEU 41 N -4.42 4.10 0.00 2.94 7.99 -0.74 -2.99 117.00 123.88 3kip n LEU 41 Ca 0.07 -1.90 0.00 0.00 -0.01 0.00 0.00 56.01 54.17 3kip n LEU 41 Cb 0.48 -0.88 0.00 0.00 -0.11 0.00 0.00 43.42 42.91 3kip n LEU 41 CO 0.36 0.80 0.30 0.29 -1.51 0.00 0.00 177.39 177.63 3kip n LYS 42 N 1.68 0.87 -0.12 3.23 4.76 -0.56 -4.98 118.16 123.04 3kip n LYS 42 Ca 0.02 -0.75 0.00 0.00 -2.87 0.00 0.00 58.31 54.71 3kip n LYS 42 Cb 0.41 -0.71 0.00 0.00 -1.84 0.00 0.00 35.03 32.89 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 -0.16 0.00 -0.85 4.39 3.02 -1.16 -4.74 115.26 115.75 3kip n ASN 43 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.60 3kip n ASN 43 Cb 0.34 -1.42 0.13 0.00 -0.61 0.00 0.00 39.78 38.22 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 0.00 1.44 -2.82 6.41 6.94 -1.26 -5.00 115.26 120.97 3kip n ASN 44 Ca 0.00 -3.11 -0.20 0.00 -0.02 0.00 0.00 54.58 51.25 3kip n ASN 44 Cb 0.00 -0.43 0.05 0.00 -2.36 0.00 0.00 39.78 37.04 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 -0.55 -5.62 -4.92 0.53 8.00 -1.26 -5.04 116.55 107.69 3kip n ASP 45 Ca 0.13 -0.33 -0.27 0.00 0.71 0.00 0.00 54.79 55.04 3kip n ASP 45 Cb 0.84 -4.36 0.05 0.00 -0.02 0.00 0.00 41.12 37.63 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 -2.95 5.15 -0.06 -2.24 0.01 -1.26 -4.86 113.70 107.48 3kip s SER 46 Ca 0.35 0.62 -0.21 0.00 1.31 0.00 0.00 55.95 58.02 3kip s SER 46 Cb -0.16 -1.40 0.05 0.00 0.21 0.00 0.00 66.02 64.72 3kip s SER 46 CO 0.44 -1.39 0.48 -0.70 0.41 0.00 0.00 173.24 172.48 3kip s GLU 47 N -5.17 0.80 -0.20 12.44 2.12 0.72 -4.57 118.70 124.84 3kip s GLU 47 Ca 0.58 0.15 -0.02 0.00 0.36 0.00 0.00 54.97 56.03 3kip s GLU 47 Cb -0.11 0.37 -0.00 0.00 0.26 0.00 0.00 34.13 34.65 3kip s GLU 47 CO 0.46 -0.21 -0.09 0.08 -0.54 0.00 0.00 175.26 174.95 3kip s VAL 48 N -0.96 3.04 0.24 3.70 1.01 -1.26 -1.19 120.40 124.97 3kip s VAL 48 Ca -0.10 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 3kip s VAL 48 Cb -0.03 -2.35 -0.07 0.00 0.00 0.00 0.00 36.38 33.93 3kip s VAL 48 CO 0.06 0.46 0.58 -0.76 0.00 0.00 0.00 175.10 175.43 3kip s LEU 49 N 1.28 4.16 -0.01 3.92 1.43 0.38 -4.72 118.68 125.13 3kip s LEU 49 Ca 0.03 0.98 0.07 0.00 -1.03 0.00 0.00 54.13 54.18 3kip s LEU 49 Cb -0.14 -3.72 -0.02 0.00 0.03 0.00 0.00 46.19 42.34 3kip s LEU 49 CO -0.04 -0.08 -0.22 0.68 0.23 0.00 0.00 176.35 176.92 3kip s VAL 50 N -1.82 1.72 -0.06 -1.59 -7.23 -1.26 0.56 120.40 110.72 3kip s VAL 50 Ca 0.48 -0.96 -0.05 0.00 -1.81 0.00 0.00 61.98 59.63 3kip s VAL 50 Cb -0.11 -1.44 0.02 0.00 0.56 0.00 0.00 36.38 35.41 3kip s VAL 50 CO 0.21 0.46 0.16 0.12 -0.31 0.00 0.00 175.10 175.73 3kip s PHE 51 N -0.54 -0.18 0.01 2.82 5.36 0.26 -4.95 117.98 120.75 3kip s PHE 51 Ca 0.08 0.43 -0.01 0.00 -0.96 0.00 0.00 56.93 56.48 3kip s PHE 51 Cb -0.08 0.06 -0.01 0.00 -0.34 0.00 0.00 43.02 42.64 3kip s PHE 51 CO -0.01 -0.09 0.01 -1.14 -1.46 0.00 0.00 175.22 172.53 3kip s GLN 52 N 0.13 0.23 -0.13 10.12 -0.44 -1.26 -0.81 119.66 127.50 3kip s GLN 52 Ca -0.00 -0.36 -0.25 0.00 -2.50 0.00 0.00 55.36 52.25 3kip s GLN 52 Cb -0.02 0.09 0.06 0.00 -1.64 0.00 0.00 33.01 31.50 3kip s GLN 52 CO -0.00 -0.04 0.61 0.45 0.50 0.00 0.00 175.29 176.81 3kip s SER 53 N -0.93 -0.61 0.39 6.67 0.15 -1.07 -5.00 113.70 113.30 3kip s SER 53 Ca -0.10 0.91 0.22 0.00 0.70 0.00 0.00 55.95 57.67 3kip s SER 53 Cb -0.06 0.87 0.26 0.00 -1.71 0.00 0.00 66.02 65.38 3kip s SER 53 CO -0.00 -0.41 1.52 0.78 1.20 0.00 0.00 173.24 176.33 3kip h ASN 54 N 4.11 0.00 -3.58 5.45 2.35 -1.89 -2.80 115.58 119.21 3kip h ASN 54 Ca -0.28 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 54.85 3kip h ASN 54 Cb 1.16 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.40 3kip h ASN 54 CO 0.26 0.09 -0.01 -0.89 -1.65 0.00 0.00 177.43 175.23 3kip s THR 55 N -3.18 5.06 0.11 2.81 2.01 -1.26 -4.55 115.64 116.64 3kip s THR 55 Ca 0.06 0.87 -0.27 0.00 0.31 0.00 0.00 61.69 62.66 3kip s THR 55 Cb 0.06 -3.84 -0.09 0.00 0.01 0.00 0.00 72.50 68.64 3kip s THR 55 CO 0.69 0.06 1.45 -0.08 -0.69 0.00 0.00 174.62 176.06 3kip h GLU 56 N 8.04 -0.27 -0.84 4.92 4.81 -2.00 -2.55 114.58 126.68 3kip h GLU 56 Ca -0.29 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.15 3kip h GLU 56 Cb 1.14 0.06 -0.16 0.00 0.63 0.00 0.00 28.75 30.42 3kip h GLU 56 CO 0.72 -0.18 -0.11 0.78 -0.73 0.00 0.00 179.01 179.49 3kip h GLY 57 N -0.28 0.79 0.89 1.92 0.00 -1.99 -0.27 103.07 104.13 3kip h GLY 57 Ca 0.07 0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.64 3kip h GLY 57 CO -0.53 -0.35 0.54 0.74 0.00 0.00 0.00 176.54 176.95 3kip h PHE 58 N 0.03 1.01 -0.64 5.60 0.04 -1.90 0.49 116.94 121.58 3kip h PHE 58 Ca 0.44 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 61.21 3kip h PHE 58 Cb 0.75 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.54 3kip h PHE 58 CO -0.57 0.59 0.27 0.82 -0.60 0.00 0.00 178.31 178.82 3kip h ILE 59 N 1.06 1.22 -0.29 -0.55 2.04 -0.71 0.12 117.51 120.38 3kip h ILE 59 Ca 0.33 -0.67 -0.17 0.00 1.00 0.00 0.00 64.86 65.35 3kip h ILE 59 Cb -0.01 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3kip h ILE 59 CO -0.11 0.27 -0.49 0.40 0.00 0.00 0.00 178.15 178.23 3kip h ILE 60 N 0.91 1.28 -0.66 -0.67 2.04 -0.09 -2.12 117.51 118.21 3kip h ILE 60 Ca 0.22 -1.68 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 3kip h ILE 60 Cb 0.16 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 3kip h ILE 60 CO -0.02 0.54 0.35 0.44 0.00 0.00 0.00 178.15 179.47 3kip h ASP 61 N 0.63 0.83 -0.64 1.72 3.32 0.55 -1.95 116.42 120.89 3kip h ASP 61 Ca 0.03 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3kip h ASP 61 Cb 1.07 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.37 3kip h ASP 61 CO 0.11 0.70 0.40 -0.09 -1.72 0.00 0.00 179.24 178.64 3kip h ARG 62 N 0.91 0.86 -0.66 3.56 9.65 -0.54 0.80 114.38 128.95 3kip h ARG 62 Ca 0.23 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.04 3kip h ARG 62 Cb 0.06 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.42 3kip h ARG 62 CO -0.04 0.60 0.39 0.82 2.80 0.00 0.00 179.97 184.54 3kip h ILE 63 N 0.87 1.20 0.00 1.20 2.04 -0.94 0.27 117.51 122.15 3kip h ILE 63 Ca 0.23 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.66 3kip h ILE 63 Cb -0.06 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 3kip h ILE 63 CO -0.05 0.21 -0.14 0.45 0.00 0.00 0.00 178.15 178.62 3kip h HIS 64 N 0.90 -0.37 -1.00 1.37 3.86 -0.73 -1.46 115.15 117.72 3kip h HIS 64 Ca 0.24 0.01 0.21 0.00 -1.16 0.00 0.00 60.37 59.67 3kip h HIS 64 Cb -0.01 0.17 -0.11 0.00 1.06 0.00 0.00 27.41 28.52 3kip h HIS 64 CO -0.01 -0.21 0.61 1.49 0.86 0.00 0.00 177.93 180.67 3kip h GLU 65 N -0.24 0.67 -0.85 2.45 4.57 -0.33 -2.03 114.58 118.80 3kip h GLU 65 Ca 0.05 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 3kip h GLU 65 Cb 0.30 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 28.70 3kip h GLU 65 CO -0.14 0.44 0.56 0.00 -1.18 0.00 0.00 179.01 178.69 3kip h ALA 66 N 1.66 1.10 -0.42 2.92 0.00 0.60 -1.12 119.26 123.99 3kip h ALA 66 Ca 0.59 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 3kip h ALA 66 Cb 1.02 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3kip h ALA 66 CO -0.38 0.45 0.15 -0.22 0.00 0.00 0.00 179.25 179.24 3kip h LYS 67 N 1.12 0.64 -0.77 0.00 1.63 -1.09 -1.37 116.57 116.74 3kip h LYS 67 Ca 0.33 -0.13 0.12 0.00 -0.85 0.00 0.00 60.65 60.12 3kip h LYS 67 Cb -0.07 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.41 3kip h LYS 67 CO -0.09 0.62 0.51 0.00 -3.45 0.00 0.00 179.45 177.03 3kip h ARG 68 N 0.54 0.56 -0.00 1.90 3.08 -0.86 -2.48 114.38 117.11 3kip h ARG 68 Ca 0.14 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3kip h ARG 68 Cb 0.23 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3kip h ARG 68 CO -0.01 0.37 -0.14 1.04 -1.07 0.00 0.00 179.97 180.16 3kip n GLN 69 N -4.50 0.60 -1.43 0.04 6.02 -0.53 -4.91 117.38 112.67 3kip n GLN 69 Ca 0.14 -0.22 -0.04 0.00 -0.01 0.00 0.00 57.00 56.87 3kip n GLN 69 Cb 0.42 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.17 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 1.31 0.53 3.68 1.08 0.00 -0.73 -5.01 105.19 106.06 3kip n GLY 70 Ca 0.13 -0.84 -0.45 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.25 0.23 1.04 1.61 0.31 -0.72 -4.71 118.33 112.85 3kip n VAL 71 Ca -0.04 -0.04 0.12 0.00 -0.01 0.00 0.00 64.34 64.36 3kip n VAL 71 Cb 0.26 -1.83 0.18 0.00 -0.91 0.00 0.00 33.84 31.55 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 3.92 -1.02 3.63 2.92 0.00 -0.32 -4.75 105.19 109.57 3kip n GLY 72 Ca 0.18 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.89 -0.72 -0.14 1.61 2.19 -1.18 -4.24 117.98 112.62 3kip s PHE 73 Ca 0.13 1.73 -0.02 0.00 0.33 0.00 0.00 56.93 59.10 3kip s PHE 73 Cb 0.18 0.32 -0.02 0.00 -1.31 0.00 0.00 43.02 42.19 3kip s PHE 73 CO 0.70 -0.35 -0.09 0.08 1.83 0.00 0.00 175.22 177.39 3kip s VAL 74 N 0.45 3.46 -0.35 3.12 1.01 0.15 -0.25 120.40 127.99 3kip s VAL 74 Ca -0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 3kip s VAL 74 Cb -0.05 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.86 3kip s VAL 74 CO -0.03 0.51 0.19 -0.69 0.00 0.00 0.00 175.10 175.08 3kip s VAL 75 N 0.32 4.59 -0.11 2.92 1.01 0.15 -1.55 120.40 127.72 3kip s VAL 75 Ca -0.07 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3kip s VAL 75 Cb -0.15 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 3kip s VAL 75 CO 0.04 -0.11 -0.19 -0.51 0.00 0.00 0.00 175.10 174.33 3kip s ILE 76 N 1.58 2.52 -0.60 2.22 2.07 -0.09 -1.26 121.20 127.65 3kip s ILE 76 Ca 0.03 -0.85 -0.06 0.00 -1.41 0.00 0.00 60.65 58.36 3kip s ILE 76 Cb -0.18 -2.01 0.15 0.00 0.13 0.00 0.00 42.46 40.55 3kip s ILE 76 CO 0.07 0.54 0.44 0.21 -1.91 0.00 0.00 174.94 174.29 3kip s ASN 77 N 0.32 5.60 0.00 4.50 3.84 0.33 0.57 114.94 130.10 3kip s ASN 77 Ca -0.15 -2.51 0.10 0.00 0.21 0.00 0.00 52.86 50.51 3kip s ASN 77 Cb -0.17 -1.95 0.61 0.00 -0.55 0.00 0.00 41.25 39.20 3kip s ASN 77 CO 0.07 -0.50 1.19 0.00 -2.79 0.00 0.00 177.10 175.07 3kip n ALA 78 N 4.03 2.30 -0.01 1.71 0.00 -1.26 0.26 120.51 127.53 3kip n ALA 78 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3kip n ALA 78 Cb 0.40 -1.17 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 0.34 2.36 0.36 0.00 0.00 -1.26 -1.06 105.19 105.94 3kip n GLY 79 Ca 0.08 -0.03 0.07 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 -0.01 1.65 0.00 4.61 0.00 -1.94 -0.34 119.26 123.24 3kip h ALA 80 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kip h ALA 80 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3kip h ALA 80 CO 0.00 0.17 0.07 1.88 0.00 0.00 0.00 179.25 181.37 3kip h TYR 81 N 0.86 0.00 -0.26 0.00 0.05 -1.47 -1.34 116.97 114.82 3kip h TYR 81 Ca 0.40 0.00 0.04 0.00 0.05 0.00 0.00 58.73 59.22 3kip h TYR 81 Cb 0.40 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 3kip h TYR 81 CO -0.00 0.00 0.18 1.15 -1.05 0.00 0.00 178.16 178.43 3kip h THR 82 N 0.00 0.96 0.00 -2.88 2.02 -1.07 0.11 112.91 112.04 3kip h THR 82 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3kip h THR 82 Cb 0.13 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3kip h THR 82 CO 0.00 0.03 -0.96 1.41 0.37 0.00 0.00 175.52 176.37 3kip n HIS 83 N -4.49 0.10 0.00 3.16 8.25 -0.51 -0.49 115.22 121.24 3kip n HIS 83 Ca 0.02 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3kip n HIS 83 Cb 0.22 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.72 0.00 -3.12 1.59 -2.24 -0.88 -4.78 114.28 103.13 3kip n THR 84 Ca 0.03 -0.11 -0.45 0.00 -2.27 0.00 0.00 64.05 61.25 3kip n THR 84 Cb 0.39 0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.08 6.89 0.37 3.42 0.15 0.31 -4.83 113.70 118.93 3kip s SER 85 Ca 0.00 -2.71 0.04 0.00 0.70 0.00 0.00 55.95 53.98 3kip s SER 85 Cb 0.00 -2.31 0.71 0.00 -1.71 0.00 0.00 66.02 62.71 3kip s SER 85 CO 0.00 -0.72 2.02 0.58 1.20 0.00 0.00 173.24 176.32 3kip h VAL 86 N 4.89 1.15 -1.00 4.45 2.07 -1.93 -2.87 116.25 123.01 3kip h VAL 86 Ca 0.18 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.42 3kip h VAL 86 Cb 0.97 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3kip h VAL 86 CO 1.02 0.15 0.66 1.23 0.02 0.00 0.00 177.57 180.65 3kip h GLY 87 N 0.75 1.44 0.90 2.17 0.00 -1.98 0.10 103.07 106.45 3kip h GLY 87 Ca 0.19 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 3kip h GLY 87 CO -0.04 0.48 0.04 -2.22 0.00 0.00 0.00 176.54 174.80 3kip h ILE 88 N 1.32 1.24 -0.97 2.60 2.04 -1.90 -1.71 117.51 120.14 3kip h ILE 88 Ca 0.38 -0.87 0.06 0.00 1.00 0.00 0.00 64.86 65.43 3kip h ILE 88 Cb -0.09 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 3kip h ILE 88 CO -0.10 0.29 0.62 -0.09 0.00 0.00 0.00 178.15 178.87 3kip h ARG 89 N 0.38 1.11 0.00 2.37 2.43 -0.99 -0.24 114.38 119.45 3kip h ARG 89 Ca 0.10 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3kip h ARG 89 Cb 0.38 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3kip h ARG 89 CO 0.01 0.74 -0.18 -0.44 -1.51 0.00 0.00 179.97 178.59 3kip h ASP 90 N 1.15 0.00 0.31 -3.80 5.19 -0.73 -1.87 116.42 116.66 3kip h ASP 90 Ca 0.42 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.52 3kip h ASP 90 Cb 0.14 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.68 3kip h ASP 90 CO -0.17 0.18 -1.33 0.00 -3.12 0.00 0.00 179.24 174.80 3kip h ALA 91 N 1.82 -0.03 -0.09 3.45 0.00 -0.10 0.28 119.26 124.59 3kip h ALA 91 Ca -0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 54.07 3kip h ALA 91 Cb 0.84 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3kip h ALA 91 CO 0.02 0.76 0.03 -0.07 0.00 0.00 0.00 179.25 179.99 3kip h LEU 92 N 0.18 0.13 -0.64 0.00 3.38 -1.20 0.43 115.31 117.59 3kip h LEU 92 Ca -0.20 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.61 3kip h LEU 92 Cb 2.02 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 42.69 3kip h LEU 92 CO 0.24 0.30 0.37 -0.07 0.09 0.00 0.00 178.44 179.37 3kip h LEU 93 N -0.04 0.56 -1.21 1.67 3.38 -1.43 0.39 115.31 118.64 3kip h LEU 93 Ca 0.03 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3kip h LEU 93 Cb 0.22 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3kip h LEU 93 CO -0.00 0.38 0.55 1.23 0.09 0.00 0.00 178.44 180.69 3kip h GLY 94 N 0.70 1.19 -1.18 0.83 0.00 -0.16 -2.40 103.07 102.05 3kip h GLY 94 Ca 0.28 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3kip h GLY 94 CO -0.15 0.32 -0.27 -1.30 0.00 0.00 0.00 176.54 175.14 3kip n THR 95 N -4.46 0.00 -3.76 4.70 -2.24 0.12 -4.98 114.28 103.65 3kip n THR 95 Ca 0.12 -0.33 -0.25 0.00 -2.27 0.00 0.00 64.05 61.32 3kip n THR 95 Cb 0.15 1.22 0.04 0.00 -2.10 0.00 0.00 70.33 69.64 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 0.40 -1.65 -2.77 6.98 0.00 0.13 -4.97 120.51 118.63 3kip n ALA 96 Ca 0.12 0.04 -0.36 0.00 0.00 0.00 0.00 53.44 53.24 3kip n ALA 96 Cb 0.50 -3.34 -0.10 0.00 0.00 0.00 0.00 19.45 16.51 3kip n ALA 96 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kip s ILE 97 N -3.47 5.04 0.84 0.00 1.01 -1.00 -5.04 121.20 118.58 3kip s ILE 97 Ca 0.32 0.06 -0.12 0.00 0.00 0.00 0.00 60.65 60.92 3kip s ILE 97 Cb -0.16 -3.32 0.09 0.00 0.01 0.00 0.00 42.46 39.09 3kip s ILE 97 CO 0.81 0.40 1.10 -2.16 0.00 0.00 0.00 174.94 175.08 3kip s PRO 98 N 0.75 1.74 -0.05 2.79 0.04 -1.26 -4.79 135.00 134.22 3kip s PRO 98 Ca 0.06 0.69 -0.25 0.00 0.04 0.00 0.00 61.00 61.54 3kip s PRO 98 Cb -0.13 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.59 3kip s PRO 98 CO 0.02 -1.88 0.55 -0.59 0.04 0.00 0.00 177.00 175.15 3kip s PHE 99 N -3.08 -0.50 -0.08 0.56 -0.71 -1.26 -0.67 117.98 112.24 3kip s PHE 99 Ca 0.62 0.88 0.02 0.00 -1.04 0.00 0.00 56.93 57.41 3kip s PHE 99 Cb -0.16 0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 41.93 3kip s PHE 99 CO 0.55 -0.52 -0.14 0.42 -1.34 0.00 0.00 175.22 174.20 3kip s ILE 100 N -1.13 3.06 -0.22 -4.49 1.01 -0.60 0.42 121.20 119.26 3kip s ILE 100 Ca -0.11 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.65 3kip s ILE 100 Cb -0.02 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 3kip s ILE 100 CO 0.07 0.56 0.58 -0.70 0.00 0.00 0.00 174.94 175.46 3kip s GLU 101 N -0.30 4.17 -0.02 2.79 2.12 -0.73 -0.91 118.70 125.81 3kip s GLU 101 Ca 0.02 0.50 0.03 0.00 0.36 0.00 0.00 54.97 55.87 3kip s GLU 101 Cb -0.13 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 3kip s GLU 101 CO 0.03 -0.25 -0.08 0.08 -0.54 0.00 0.00 175.26 174.50 3kip s VAL 102 N 1.97 3.59 -0.09 3.70 1.01 0.19 -2.00 120.40 128.77 3kip s VAL 102 Ca 0.26 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3kip s VAL 102 Cb -0.16 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.72 3kip s VAL 102 CO 0.10 0.48 -0.15 -1.00 0.00 0.00 0.00 175.10 174.53 3kip s HIS 103 N -0.91 1.85 0.20 5.22 3.76 -0.26 -4.20 115.29 120.96 3kip s HIS 103 Ca 0.15 -0.81 -0.10 0.00 -0.15 0.00 0.00 55.06 54.15 3kip s HIS 103 Cb -0.11 -1.33 0.12 0.00 1.11 0.00 0.00 32.58 32.37 3kip s HIS 103 CO 0.05 -0.41 1.78 0.82 -0.85 0.00 0.00 174.74 176.12 3kip h ILE 104 N 5.95 1.24 -1.73 0.60 2.04 -1.88 -1.40 117.51 122.33 3kip h ILE 104 Ca -0.30 -0.70 -0.53 0.00 1.00 0.00 0.00 64.86 64.33 3kip h ILE 104 Cb 1.18 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 3kip h ILE 104 CO 0.48 0.29 -0.48 0.42 0.00 0.00 0.00 178.15 178.86 3kip s THR 105 N -5.65 2.83 -0.69 -0.27 -4.23 -1.26 -1.46 115.64 104.91 3kip s THR 105 Ca -0.13 -1.58 -0.26 0.00 -1.18 0.00 0.00 61.69 58.55 3kip s THR 105 Cb 0.14 -3.01 0.04 0.00 1.34 0.00 0.00 72.50 71.01 3kip s THR 105 CO 0.81 -0.10 1.18 0.21 -0.54 0.00 0.00 174.62 176.18 3kip s ASN 106 N -3.94 6.22 0.61 3.99 3.04 -1.26 -2.91 114.94 120.69 3kip s ASN 106 Ca 0.41 -0.47 0.36 0.00 0.04 0.00 0.00 52.86 53.20 3kip s ASN 106 Cb -0.02 -2.52 2.00 0.00 -1.54 0.00 0.00 41.25 39.17 3kip s ASN 106 CO 0.24 -1.66 2.26 -0.37 -3.04 0.00 0.00 177.10 174.53 3kip h VAL 107 N 6.04 0.28 0.00 -5.21 -1.51 -1.92 0.60 116.25 114.53 3kip h VAL 107 Ca -0.28 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 3kip h VAL 107 Cb 1.06 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3kip h VAL 107 CO 1.23 0.02 0.00 0.45 -1.23 0.00 0.00 177.57 178.04 3kip h HIS 108 N 0.00 0.00 0.00 5.19 3.86 -1.88 -1.48 115.15 120.84 3kip h HIS 108 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kip h HIS 108 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3kip h HIS 108 CO 0.00 0.00 0.00 1.04 0.86 0.00 0.00 177.93 179.83 3kip n GLN 109 N -2.45 0.18 0.00 2.45 6.02 0.20 -4.92 117.38 118.86 3kip n GLN 109 Ca 0.01 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 3kip n GLN 109 Cb 0.21 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 29.74 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 -2.04 3.17 -2.08 -1.09 1.74 -0.56 -5.05 116.66 110.75 3kip n ARG 110 Ca 0.05 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.72 3kip n ARG 110 Cb 0.36 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.77 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 2.77 4.31 0.44 5.56 8.01 -1.26 -4.88 118.70 133.65 3kip s GLU 111 Ca 0.00 2.23 0.30 0.00 0.01 0.00 0.00 54.97 57.51 3kip s GLU 111 Cb 0.00 -3.13 1.43 0.00 -4.31 0.00 0.00 34.13 28.12 3kip s GLU 111 CO 0.00 -0.34 1.62 -1.35 0.01 0.00 0.00 175.26 175.20 3kip h PRO 112 N 4.88 0.08 0.00 0.39 0.11 -1.94 0.70 132.00 136.23 3kip h PRO 112 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kip h PRO 112 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kip h PRO 112 CO 0.76 0.05 0.01 1.97 -0.21 0.00 0.00 178.00 180.58 3kip n PHE 113 N -4.70 0.58 1.17 0.65 1.16 -1.26 -1.46 117.46 113.60 3kip n PHE 113 Ca 0.37 0.30 0.12 0.00 -1.87 0.00 0.00 57.45 56.38 3kip n PHE 113 Cb 1.44 -0.98 0.26 0.00 -1.61 0.00 0.00 39.48 38.58 3kip n PHE 113 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3kip n ARG 114 N -2.10 0.96 0.18 3.97 1.74 0.25 -3.63 116.66 118.02 3kip n ARG 114 Ca -0.01 -0.65 0.13 0.00 -0.77 0.00 0.00 57.85 56.55 3kip n ARG 114 Cb 0.03 -1.49 0.40 0.00 -1.02 0.00 0.00 32.46 30.39 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 1.60 0.00 -2.98 -1.55 3.86 -1.36 -3.45 115.15 111.26 3kip h HIS 115 Ca 0.00 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.56 3kip h HIS 115 Cb 0.58 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.95 3kip h HIS 115 CO 0.00 0.00 -0.52 -0.65 0.86 0.00 0.00 177.93 177.62 3kip s GLN 116 N -3.28 3.60 0.12 2.45 -1.52 -1.24 -5.08 119.66 114.72 3kip s GLN 116 Ca 0.07 -0.23 0.08 0.00 -1.95 0.00 0.00 55.36 53.33 3kip s GLN 116 Cb 0.09 -3.17 -0.04 0.00 -0.22 0.00 0.00 33.01 29.67 3kip s GLN 116 CO 0.57 0.59 -0.19 0.45 -0.25 0.00 0.00 175.29 176.46 3kip s SER 117 N -0.50 2.49 -0.00 5.90 0.15 -1.26 -4.44 113.70 116.04 3kip s SER 117 Ca 0.11 -0.73 0.21 0.00 0.70 0.00 0.00 55.95 56.24 3kip s SER 117 Cb -0.12 -0.13 0.61 0.00 -1.71 0.00 0.00 66.02 64.67 3kip s SER 117 CO 0.02 0.01 1.51 -1.22 1.20 0.00 0.00 173.24 174.76 3kip n TYR 118 N 0.86 0.93 -0.08 3.44 4.01 0.35 -4.39 117.16 122.28 3kip n TYR 118 Ca -0.18 -0.46 -0.11 0.00 -0.16 0.00 0.00 57.90 56.99 3kip n TYR 118 Cb 0.55 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.49 3kip n TYR 118 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3kip n LEU 119 N 1.53 2.41 -0.28 7.72 4.77 -1.26 -4.66 117.00 127.23 3kip n LEU 119 Ca 0.23 -0.07 0.10 0.00 -0.03 0.00 0.00 56.01 56.24 3kip n LEU 119 Cb 0.58 -0.41 0.25 0.00 -2.33 0.00 0.00 43.42 41.51 3kip n LEU 119 CO 0.16 0.69 0.99 0.28 -1.33 0.00 0.00 177.39 178.18 3kip h SER 120 N 0.00 0.18 1.16 -1.43 0.02 -1.94 0.25 113.55 111.78 3kip h SER 120 Ca -0.37 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3kip h SER 120 Cb 1.62 0.17 0.00 0.00 0.14 0.00 0.00 62.40 64.33 3kip h SER 120 CO -0.04 -0.02 0.00 -2.24 -1.14 0.00 0.00 176.83 173.39 3kip h ASP 121 N 0.34 0.00 -0.00 3.07 2.03 -1.87 -2.77 116.42 117.22 3kip h ASP 121 Ca 0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.80 3kip h ASP 121 Cb 0.90 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.40 3kip h ASP 121 CO -0.53 0.00 -0.48 0.29 -1.03 0.00 0.00 179.24 177.49 3kip n LYS 122 N -2.32 2.50 -1.60 4.15 4.76 0.09 -5.01 118.16 120.73 3kip n LYS 122 Ca 0.04 -0.25 -0.36 0.00 -2.87 0.00 0.00 58.31 54.87 3kip n LYS 122 Cb 0.34 -1.13 0.08 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 -1.99 2.25 0.02 7.82 0.00 0.66 -4.80 121.76 125.72 3kip s ALA 123 Ca 0.07 1.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 3kip s ALA 123 Cb 0.10 -3.51 -0.16 0.00 0.00 0.00 0.00 23.12 19.55 3kip s ALA 123 CO 0.45 -1.72 1.18 0.28 0.00 0.00 0.00 175.76 175.96 3kip h VAL 124 N 0.16 0.00 -3.23 0.00 2.07 -0.35 -3.47 116.25 111.42 3kip h VAL 124 Ca -0.49 -0.25 -0.39 0.00 0.82 0.00 0.00 66.70 66.39 3kip h VAL 124 Cb 1.32 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.94 3kip h VAL 124 CO 0.51 0.00 -0.67 0.00 0.02 0.00 0.00 177.57 177.43 3kip s ALA 125 N -5.14 1.82 -0.20 1.67 0.00 -1.25 -5.05 121.76 113.61 3kip s ALA 125 Ca -0.15 -1.73 0.01 0.00 0.00 0.00 0.00 51.96 50.09 3kip s ALA 125 Cb 0.02 0.35 0.04 0.00 0.00 0.00 0.00 23.12 23.53 3kip s ALA 125 CO 0.45 -0.19 -0.11 0.08 0.00 0.00 0.00 175.76 175.99 3kip s VAL 126 N -3.34 1.67 -0.16 0.00 1.01 -1.26 -1.78 120.40 116.54 3kip s VAL 126 Ca 0.26 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 3kip s VAL 126 Cb 0.05 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 3kip s VAL 126 CO 0.08 0.21 0.01 -0.63 0.00 0.00 0.00 175.10 174.76 3kip s ILE 127 N 1.39 4.33 -0.23 2.22 1.01 -0.85 -5.01 121.20 124.06 3kip s ILE 127 Ca -0.01 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.33 3kip s ILE 127 Cb -0.16 -2.92 0.08 0.00 0.01 0.00 0.00 42.46 39.48 3kip s ILE 127 CO -0.09 0.49 0.53 0.00 0.00 0.00 0.00 174.94 175.87 3kip n GLY 129 N 4.68 0.92 1.60 0.00 0.00 -0.53 -4.66 105.19 107.20 3kip n GLY 129 Ca -0.18 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 45.84 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 4.73 0.00 0.99 7.94 -1.21 -4.64 117.00 124.80 3kip n LEU 130 Ca 0.00 -2.40 0.00 0.00 -1.11 0.00 0.00 56.01 52.50 3kip n LEU 130 Cb 0.00 -0.64 0.00 0.00 0.53 0.00 0.00 43.42 43.31 3kip n LEU 130 CO 0.00 0.56 0.00 0.61 -1.11 0.00 0.00 177.39 177.45 3kip n GLY 131 N 0.52 1.99 0.10 -3.96 0.00 -0.54 -3.20 105.19 100.10 3kip n GLY 131 Ca 0.22 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 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 1.46 -0.08 1.61 2.07 -1.95 -1.72 116.25 117.64 3kip h VAL 132 Ca 0.00 -2.82 0.02 0.00 0.82 0.00 0.00 66.70 64.72 3kip h VAL 132 Cb 0.00 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 3kip h VAL 132 CO 0.00 0.78 0.15 0.22 0.02 0.00 0.00 177.57 178.74 3kip h TYR 133 N 0.00 0.00 -0.66 1.57 3.20 -1.96 -2.08 116.97 117.04 3kip h TYR 133 Ca -0.01 0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.95 3kip h TYR 133 Cb 1.50 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 39.66 3kip h TYR 133 CO 0.00 0.00 -0.47 0.78 -1.64 0.00 0.00 178.16 176.83 3kip h GLY 134 N 0.00 -0.56 0.17 1.82 0.00 -1.27 -0.05 103.07 103.19 3kip h GLY 134 Ca 0.04 0.62 0.11 0.00 0.00 0.00 0.00 47.33 48.10 3kip h GLY 134 CO -0.00 -0.12 0.10 -0.97 0.00 0.00 0.00 176.54 175.54 3kip h TYR 135 N -0.20 0.15 -0.28 5.60 0.05 -1.59 -2.09 116.97 118.62 3kip h TYR 135 Ca 0.18 0.04 0.03 0.00 0.05 0.00 0.00 58.73 59.02 3kip h TYR 135 Cb 0.55 0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.28 3kip h TYR 135 CO -0.78 -0.05 0.09 1.15 -1.05 0.00 0.00 178.16 177.52 3kip h THR 136 N 0.23 0.92 0.09 -2.88 2.02 -1.12 0.19 112.91 112.34 3kip h THR 136 Ca 0.30 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.41 3kip h THR 136 Cb 0.46 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3kip h THR 136 CO -0.41 0.04 -0.04 0.00 0.37 0.00 0.00 175.52 175.48 3kip h ALA 137 N 1.18 -0.11 -1.00 6.16 0.00 -1.24 -0.36 119.26 123.88 3kip h ALA 137 Ca 0.12 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.18 3kip h ALA 137 Cb 0.10 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.83 3kip h ALA 137 CO -0.13 -0.50 0.62 0.00 0.00 0.00 0.00 179.25 179.24 3kip h ALA 138 N 0.67 1.93 -0.10 0.00 0.00 -1.12 -1.50 119.26 119.14 3kip h ALA 138 Ca -0.01 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 3kip h ALA 138 Cb 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kip h ALA 138 CO 0.02 -0.32 -0.66 0.82 0.00 0.00 0.00 179.25 179.12 3kip h ILE 139 N 0.58 1.37 0.10 0.00 2.04 0.03 -2.30 117.51 119.33 3kip h ILE 139 Ca 0.58 -2.02 0.01 0.00 1.00 0.00 0.00 64.86 64.42 3kip h ILE 139 Cb 1.17 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.24 3kip h ILE 139 CO -0.35 0.61 -0.12 -0.33 0.00 0.00 0.00 178.15 177.97 3kip h GLU 140 N 0.28 -0.24 -0.58 2.37 4.39 -0.63 -0.96 114.58 119.21 3kip h GLU 140 Ca -0.02 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.75 3kip h GLU 140 Cb 1.20 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.86 3kip h GLU 140 CO 0.11 -0.16 0.32 -0.92 -1.16 0.00 0.00 179.01 177.20 3kip h TYR 141 N -0.25 0.59 -0.24 4.33 5.03 -1.31 -2.53 116.97 122.60 3kip h TYR 141 Ca 0.01 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 3kip h TYR 141 Cb 0.25 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.34 3kip h TYR 141 CO -0.13 0.30 0.12 0.00 -1.32 0.00 0.00 178.16 177.13 3kip h ALA 142 N 1.30 0.30 0.00 1.82 0.00 -1.20 -1.55 119.26 119.93 3kip h ALA 142 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kip h ALA 142 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kip h ALA 142 CO -0.16 -0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.22 3kip n LEU 143 N -4.85 0.00 -0.13 0.00 4.77 -0.38 -2.33 117.00 114.08 3kip n LEU 143 Ca -0.03 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.99 3kip n LEU 143 Cb 0.08 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 3kip n LEU 143 CO 0.35 0.00 0.43 0.59 -1.33 0.00 0.00 177.39 177.43 3kip n ASN 144 N -0.53 1.40 -4.91 -1.43 5.03 -0.59 -4.58 115.26 109.65 3kip n ASN 144 Ca 0.01 -2.26 -0.30 0.00 0.87 0.00 0.00 54.58 52.90 3kip n ASN 144 Cb 0.00 -0.20 -0.04 0.00 -1.02 0.00 0.00 39.78 38.52 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 -1.34 3.49 -1.80 3.10 5.04 -0.98 -4.89 117.35 119.97 3kip s TYR 145 Ca 0.12 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 55.16 3kip s TYR 145 Cb 0.10 -1.89 0.00 0.00 0.35 0.00 0.00 41.96 40.52 3kip s TYR 145 CO 0.01 0.48 0.45 1.04 -1.34 0.00 0.00 175.55 176.19