#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kip s VAL 1 N 0.00 3.10 -0.02 1.96 1.01 -0.61 -4.76 120.40 121.08 3kip s VAL 1 Ca 0.00 0.79 0.08 0.00 0.00 0.00 0.00 61.98 62.85 3kip s VAL 1 Cb 0.00 -3.51 -0.13 0.00 0.00 0.00 0.00 36.38 32.75 3kip s VAL 1 CO 0.00 0.06 0.17 0.29 0.00 0.00 0.00 175.10 175.62 3kip n LYS 2 N 3.97 0.42 -4.06 2.72 5.02 -1.26 -4.68 118.16 120.28 3kip n LYS 2 Ca 0.12 -0.07 -0.32 0.00 -2.02 0.00 0.00 58.31 56.02 3kip n LYS 2 Cb 0.41 -1.20 -0.15 0.00 -0.02 0.00 0.00 35.03 34.07 3kip n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kip s LYS 3 N -2.55 2.24 -0.06 1.97 2.47 -1.26 -0.51 119.74 122.04 3kip s LYS 3 Ca -0.03 -1.27 0.06 0.00 -1.56 0.00 0.00 55.97 53.17 3kip s LYS 3 Cb 0.05 -2.83 -0.01 0.00 -1.46 0.00 0.00 37.83 33.58 3kip s LYS 3 CO 0.34 -0.54 -0.25 0.08 0.16 0.00 0.00 175.35 175.15 3kip s VAL 4 N 1.15 2.11 -0.21 4.02 1.01 -0.36 -1.03 120.40 127.09 3kip s VAL 4 Ca -0.07 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 3kip s VAL 4 Cb -0.19 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 3kip s VAL 4 CO -0.06 0.57 -0.06 -0.22 0.00 0.00 0.00 175.10 175.33 3kip s LEU 5 N -0.20 2.81 -0.15 3.92 2.96 0.05 -0.67 118.68 127.40 3kip s LEU 5 Ca -0.02 -0.41 -0.25 0.00 -0.22 0.00 0.00 54.13 53.23 3kip s LEU 5 Cb -0.13 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 3kip s LEU 5 CO 0.03 -0.01 0.79 -0.22 -1.32 0.00 0.00 176.35 175.63 3kip s LEU 6 N 1.41 4.21 -0.09 -0.68 2.96 0.04 -1.55 118.68 124.98 3kip s LEU 6 Ca 0.05 1.16 0.04 0.00 -0.22 0.00 0.00 54.13 55.16 3kip s LEU 6 Cb -0.14 -3.18 -0.01 0.00 0.50 0.00 0.00 46.19 43.36 3kip s LEU 6 CO -0.04 -0.33 -0.23 -0.63 -1.32 0.00 0.00 176.35 173.80 3kip s ILE 7 N 1.82 2.18 -0.07 6.68 1.01 -0.32 -1.08 121.20 131.43 3kip s ILE 7 Ca 0.38 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 60.09 3kip s ILE 7 Cb -0.17 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 3kip s ILE 7 CO 0.14 0.56 -0.24 0.20 0.00 0.00 0.00 174.94 175.60 3kip s ASN 8 N 0.18 3.16 0.11 3.58 -0.87 -0.46 -0.43 114.94 120.21 3kip s ASN 8 Ca -0.13 -0.50 0.00 0.00 -1.57 0.00 0.00 52.86 50.66 3kip s ASN 8 Cb -0.16 -0.98 0.00 0.00 -0.02 0.00 0.00 41.25 40.09 3kip s ASN 8 CO 0.07 0.23 0.00 0.61 -2.57 0.00 0.00 177.10 175.44 3kip n GLY 9 N 3.05 0.12 3.66 0.66 0.00 0.57 -2.56 105.19 110.69 3kip n GLY 9 Ca -0.18 -1.78 -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 -0.17 1.71 0.00 1.61 -0.04 -1.08 -2.60 135.00 134.43 3kip n PRO 10 Ca 0.00 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 3kip n PRO 10 Cb 0.00 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 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 0.48 0.00 0.32 3.54 3.02 -1.26 -4.49 115.26 116.87 3kip n ASN 11 Ca 0.08 0.00 0.21 0.00 -0.03 0.00 0.00 54.58 54.83 3kip n ASN 11 Cb 0.38 0.00 1.10 0.00 -0.61 0.00 0.00 39.78 40.65 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 -2.24 3.41 3.38 -1.86 0.32 115.31 118.31 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 0.01 0.02 -0.55 0.09 0.00 0.00 178.44 178.01 3kip h ASN 13 N 0.00 0.00 -0.02 -0.43 -1.07 -1.88 -2.99 115.58 109.19 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 0.08 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.33 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 -2.69 1.63 -4.74 6.14 4.77 0.10 -4.70 117.00 117.50 3kip n LEU 14 Ca -0.02 -0.55 -0.40 0.00 -0.03 0.00 0.00 56.01 55.00 3kip n LEU 14 Cb 0.07 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 3kip n LEU 14 CO 0.15 0.28 0.68 -1.48 -1.33 0.00 0.00 177.39 175.69 3kip s LEU 15 N -1.98 4.58 -0.54 2.23 2.34 -1.13 -0.52 118.68 123.66 3kip s LEU 15 Ca 0.37 1.94 0.04 0.00 0.06 0.00 0.00 54.13 56.54 3kip s LEU 15 Cb 0.21 -3.60 0.14 0.00 -0.56 0.00 0.00 46.19 42.37 3kip s LEU 15 CO 0.33 0.02 0.30 -0.83 -1.06 0.00 0.00 176.35 175.11 3kip s GLY 16 N -0.66 2.37 0.00 -3.48 0.00 -1.11 -2.91 107.32 101.53 3kip s GLY 16 Ca 0.44 -3.24 0.26 0.00 0.00 0.00 0.00 44.72 42.19 3kip s GLY 16 CO 0.32 1.15 1.60 -1.30 0.00 0.00 0.00 173.10 174.88 3kip n THR 17 N 2.96 0.00 -0.09 0.90 -2.24 0.32 -4.63 114.28 111.51 3kip n THR 17 Ca 0.09 -0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.75 3kip n THR 17 Cb 0.33 0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.36 0.50 -0.08 -0.78 0.63 -1.26 -5.18 116.66 109.12 3kip n ARG 18 Ca 0.07 0.45 0.05 0.00 -0.92 0.00 0.00 57.85 57.51 3kip n ARG 18 Cb 0.33 -1.63 0.09 0.00 0.45 0.00 0.00 32.46 31.70 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 -4.53 0.21 -4.08 -0.14 9.36 -1.26 -5.09 117.16 111.64 3kip n TYR 23 Ca -0.16 -0.25 -0.22 0.00 3.32 0.00 0.00 57.90 60.59 3kip n TYR 23 Cb 0.43 -0.01 -0.05 0.00 -0.63 0.00 0.00 39.34 39.08 3kip n TYR 23 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3kip s GLY 24 N -0.92 1.53 0.00 2.98 0.00 -1.26 -4.98 107.32 104.66 3kip s GLY 24 Ca 0.17 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.38 3kip s GLY 24 CO 0.14 -1.52 0.19 -1.30 0.00 0.00 0.00 173.10 170.61 3kip n THR 25 N -1.18 0.00 -2.17 0.90 -2.24 -1.26 -4.50 114.28 103.82 3kip n THR 25 Ca -0.06 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.29 3kip n THR 25 Cb 0.58 -0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.27 3.83 0.53 4.28 2.01 -1.26 -4.50 115.64 119.26 3kip s THR 26 Ca 0.00 0.98 0.04 0.00 0.31 0.00 0.00 61.69 63.03 3kip s THR 26 Cb 0.00 -3.72 0.05 0.00 0.01 0.00 0.00 72.50 68.84 3kip s THR 26 CO 0.00 -0.18 0.74 -0.94 -0.69 0.00 0.00 174.62 173.55 3kip s SER 27 N 3.25 5.25 0.15 3.53 1.04 -1.26 -2.73 113.70 122.92 3kip s SER 27 Ca 0.67 -0.32 -0.17 0.00 0.48 0.00 0.00 55.95 56.61 3kip s SER 27 Cb -0.27 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.34 3kip s SER 27 CO 0.25 -1.14 1.80 0.25 0.98 0.00 0.00 173.24 175.37 3kip h LEU 28 N 0.19 0.44 -0.80 2.42 5.85 -1.76 -2.72 115.31 118.93 3kip h LEU 28 Ca -0.39 -0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.47 3kip h LEU 28 Cb 1.29 -0.11 -0.11 0.00 0.37 0.00 0.00 40.66 42.10 3kip h LEU 28 CO 0.46 0.34 0.32 -1.28 -0.34 0.00 0.00 178.44 177.94 3kip h SER 29 N 0.50 0.26 0.56 1.25 0.87 -1.94 -1.67 113.55 113.38 3kip h SER 29 Ca 0.14 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 3kip h SER 29 Cb -0.04 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3kip h SER 29 CO -0.03 0.06 -0.50 0.44 -0.53 0.00 0.00 176.83 176.27 3kip h ASP 30 N 0.41 -1.34 -0.56 6.23 3.32 -1.87 -1.08 116.42 121.54 3kip h ASP 30 Ca 0.46 0.10 0.11 0.00 0.02 0.00 0.00 57.03 57.73 3kip h ASP 30 Cb 0.77 0.43 -0.10 0.00 0.22 0.00 0.00 39.33 40.65 3kip h ASP 30 CO -0.46 -0.68 -0.07 0.40 -1.72 0.00 0.00 179.24 176.71 3kip h ILE 31 N -1.04 0.49 -0.25 0.35 2.04 -1.14 0.28 117.51 118.24 3kip h ILE 31 Ca -0.07 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3kip h ILE 31 Cb 0.88 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3kip h ILE 31 CO -0.03 0.01 0.17 -0.33 0.00 0.00 0.00 178.15 177.97 3kip h GLU 32 N 0.05 0.34 -0.66 2.37 5.08 -1.27 -0.94 114.58 119.55 3kip h GLU 32 Ca 0.28 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3kip h GLU 32 Cb 0.44 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 3kip h GLU 32 CO -0.53 0.23 0.43 1.96 -1.00 0.00 0.00 179.01 180.10 3kip h GLN 33 N 0.34 0.84 -0.35 2.33 1.08 0.33 0.67 115.11 120.36 3kip h GLN 33 Ca 0.09 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.16 3kip h GLN 33 Cb -0.03 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.20 3kip h GLN 33 CO -0.02 0.56 -0.09 0.00 -0.95 0.00 0.00 178.83 178.33 3kip h ALA 34 N 1.25 0.49 0.39 3.87 0.00 -0.69 0.85 119.26 125.43 3kip h ALA 34 Ca 0.25 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kip h ALA 34 Cb -0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3kip h ALA 34 CO -0.07 0.34 -0.45 0.00 0.00 0.00 0.00 179.25 179.07 3kip h ALA 35 N 0.82 -0.97 -0.64 0.00 0.00 -0.95 0.19 119.26 117.71 3kip h ALA 35 Ca 0.09 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.97 3kip h ALA 35 Cb 0.59 0.67 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 3kip h ALA 35 CO 0.04 -1.09 -0.27 0.82 0.00 0.00 0.00 179.25 178.74 3kip h ILE 36 N -0.87 0.22 -0.34 0.00 2.04 -0.18 -1.88 117.51 116.50 3kip h ILE 36 Ca -0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 3kip h ILE 36 Cb 0.79 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3kip h ILE 36 CO -0.10 0.00 0.04 -0.33 0.00 0.00 0.00 178.15 177.76 3kip h GLU 37 N -0.10 0.51 -0.25 2.37 4.39 -0.73 -1.92 114.58 118.85 3kip h GLU 37 Ca 0.27 -0.09 0.06 0.00 0.34 0.00 0.00 59.36 59.94 3kip h GLU 37 Cb 0.54 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.04 3kip h GLU 37 CO -0.70 0.50 -0.24 0.37 -1.16 0.00 0.00 179.01 177.79 3kip h GLN 38 N 0.49 -0.23 0.36 2.33 4.15 0.23 -0.47 115.11 121.97 3kip h GLN 38 Ca 0.11 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 3kip h GLN 38 Cb 0.26 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.01 3kip h GLN 38 CO 0.00 -0.15 -0.17 0.00 -1.93 0.00 0.00 178.83 176.58 3kip h ALA 39 N 0.83 -0.48 -0.90 3.38 0.00 -1.52 -3.22 119.26 117.34 3kip h ALA 39 Ca 0.14 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.02 3kip h ALA 39 Cb 0.45 0.19 -0.16 0.00 0.00 0.00 0.00 17.79 18.27 3kip h ALA 39 CO -0.39 -0.58 -0.30 1.63 0.00 0.00 0.00 179.25 179.61 3kip n LYS 40 N -5.15 -0.15 0.17 0.00 5.02 -0.73 -0.03 118.16 117.29 3kip n LYS 40 Ca -0.10 1.39 0.12 0.00 -2.02 0.00 0.00 58.31 57.70 3kip n LYS 40 Cb 0.28 -2.06 0.61 0.00 -0.02 0.00 0.00 35.03 33.84 3kip n LYS 40 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3kip h LEU 41 N 0.00 0.00 -0.80 -0.35 -0.00 -1.09 0.19 115.31 113.27 3kip h LEU 41 Ca 0.36 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 58.17 3kip h LEU 41 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.24 3kip h LEU 41 CO -0.90 0.00 -0.32 0.11 -0.00 0.00 0.00 178.44 177.32 3kip h LYS 42 N 0.00 0.00 -6.15 1.13 1.79 -0.47 -3.47 116.57 109.39 3kip h LYS 42 Ca 0.00 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 58.04 3kip h LYS 42 Cb 0.02 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.70 3kip h LYS 42 CO 0.00 0.32 -0.83 -1.71 -1.08 0.00 0.00 179.45 176.15 3kip n ASN 43 N -3.39 -1.39 -2.34 0.86 5.15 0.05 -4.87 115.26 109.34 3kip n ASN 43 Ca 0.01 -0.84 0.01 0.00 -0.60 0.00 0.00 54.58 53.16 3kip n ASN 43 Cb 0.52 -3.93 0.04 0.00 -0.53 0.00 0.00 39.78 35.88 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 -3.03 1.05 -3.68 1.20 0.23 -1.26 -4.97 115.26 104.79 3kip n ASN 44 Ca -0.27 -2.03 -0.32 0.00 -0.53 0.00 0.00 54.58 51.43 3kip n ASN 44 Cb 0.67 -0.30 0.04 0.00 -2.08 0.00 0.00 39.78 38.11 3kip n ASN 44 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3kip n ASP 45 N -0.32 -5.27 -4.92 0.53 8.00 -1.26 -5.00 116.55 108.31 3kip n ASP 45 Ca 0.03 -1.02 -0.26 0.00 0.71 0.00 0.00 54.79 54.26 3kip n ASP 45 Cb 0.91 -3.38 -0.01 0.00 -0.02 0.00 0.00 41.12 38.62 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 -3.48 6.28 -0.03 -2.24 0.01 -1.26 -4.79 113.70 108.20 3kip s SER 46 Ca 0.47 0.71 -0.06 0.00 1.31 0.00 0.00 55.95 58.38 3kip s SER 46 Cb -0.17 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 63.92 3kip s SER 46 CO 0.86 -0.44 0.14 -0.70 0.41 0.00 0.00 173.24 173.51 3kip s GLU 47 N -4.52 0.33 -0.24 12.44 2.12 0.33 -4.39 118.70 124.77 3kip s GLU 47 Ca 0.44 -0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.66 3kip s GLU 47 Cb -0.10 0.14 0.04 0.00 0.26 0.00 0.00 34.13 34.47 3kip s GLU 47 CO 0.40 -0.07 -0.11 0.08 -0.54 0.00 0.00 175.26 175.03 3kip s VAL 48 N -0.68 2.39 0.33 3.70 1.01 -1.26 -1.22 120.40 124.67 3kip s VAL 48 Ca -0.08 -1.27 -0.15 0.00 0.00 0.00 0.00 61.98 60.48 3kip s VAL 48 Cb -0.05 -2.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.99 3kip s VAL 48 CO 0.01 0.18 0.75 -0.76 0.00 0.00 0.00 175.10 175.27 3kip s LEU 49 N 1.22 4.05 0.01 3.92 2.01 0.16 -4.59 118.68 125.46 3kip s LEU 49 Ca -0.03 1.30 0.06 0.00 0.01 0.00 0.00 54.13 55.47 3kip s LEU 49 Cb -0.17 -4.11 -0.02 0.00 0.01 0.00 0.00 46.19 41.90 3kip s LEU 49 CO -0.07 -0.22 -0.17 0.68 1.01 0.00 0.00 176.35 177.59 3kip s VAL 50 N -2.00 1.33 -0.12 -1.59 -7.23 -1.26 -0.78 120.40 108.75 3kip s VAL 50 Ca 0.55 -0.89 -0.15 0.00 -1.81 0.00 0.00 61.98 59.67 3kip s VAL 50 Cb -0.10 -1.14 0.04 0.00 0.56 0.00 0.00 36.38 35.73 3kip s VAL 50 CO 0.17 0.24 0.41 0.12 -0.31 0.00 0.00 175.10 175.73 3kip s PHE 51 N -0.59 -0.41 0.03 2.82 5.36 -0.24 -4.97 117.98 119.97 3kip s PHE 51 Ca 0.05 0.95 0.01 0.00 -0.96 0.00 0.00 56.93 56.99 3kip s PHE 51 Cb -0.07 0.16 -0.02 0.00 -0.34 0.00 0.00 43.02 42.75 3kip s PHE 51 CO 0.00 -0.27 -0.05 -1.14 -1.46 0.00 0.00 175.22 172.30 3kip s GLN 52 N -0.14 0.40 0.20 10.12 -0.44 -1.26 -1.36 119.66 127.18 3kip s GLN 52 Ca -0.03 -0.60 -0.19 0.00 -2.50 0.00 0.00 55.36 52.05 3kip s GLN 52 Cb -0.03 -0.13 0.03 0.00 -1.64 0.00 0.00 33.01 31.24 3kip s GLN 52 CO 0.02 0.01 0.56 0.45 0.50 0.00 0.00 175.29 176.83 3kip s SER 53 N -1.29 -0.30 -0.01 6.67 0.15 -1.06 -4.98 113.70 112.88 3kip s SER 53 Ca -0.10 -0.44 0.18 0.00 0.70 0.00 0.00 55.95 56.29 3kip s SER 53 Cb -0.09 0.60 -0.24 0.00 -1.71 0.00 0.00 66.02 64.59 3kip s SER 53 CO -0.00 -1.09 0.60 0.59 1.20 0.00 0.00 173.24 174.54 3kip n ASN 54 N -0.36 0.80 -4.63 5.45 3.02 -1.26 -2.64 115.26 115.63 3kip n ASN 54 Ca -0.10 -0.49 -0.42 0.00 -0.03 0.00 0.00 54.58 53.54 3kip n ASN 54 Cb 0.62 1.41 -0.03 0.00 -0.61 0.00 0.00 39.78 41.16 3kip n ASN 54 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kip s THR 55 N -2.99 4.66 0.17 3.41 2.01 -1.26 -4.62 115.64 117.02 3kip s THR 55 Ca 0.00 1.52 -0.28 0.00 0.31 0.00 0.00 61.69 63.24 3kip s THR 55 Cb 0.13 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 3kip s THR 55 CO 0.76 -0.33 1.55 -0.08 -0.69 0.00 0.00 174.62 175.83 3kip h GLU 56 N 8.02 -0.11 -0.99 4.92 4.81 -2.00 -2.38 114.58 126.84 3kip h GLU 56 Ca -0.22 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.17 3kip h GLU 56 Cb 1.08 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 30.39 3kip h GLU 56 CO 0.96 -0.07 0.62 0.78 -0.73 0.00 0.00 179.01 180.56 3kip h GLY 57 N -0.12 1.63 0.96 1.92 0.00 -1.99 -0.82 103.07 104.65 3kip h GLY 57 Ca 0.18 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 3kip h GLY 57 CO -0.84 0.07 0.02 0.74 0.00 0.00 0.00 176.54 176.53 3kip h PHE 58 N 0.86 0.80 -1.00 5.60 0.04 -1.87 0.54 116.94 121.91 3kip h PHE 58 Ca 0.52 -0.13 0.02 0.00 2.80 0.00 0.00 57.97 61.18 3kip h PHE 58 Cb 0.68 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 38.57 3kip h PHE 58 CO -0.00 0.79 0.66 0.82 -0.60 0.00 0.00 178.31 179.97 3kip h ILE 59 N 0.58 1.24 -0.05 -0.55 2.04 -0.81 0.82 117.51 120.78 3kip h ILE 59 Ca 0.12 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 3kip h ILE 59 Cb 0.45 -0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 3kip h ILE 59 CO 0.02 0.24 0.01 0.40 0.00 0.00 0.00 178.15 178.82 3kip h ILE 60 N 1.34 1.21 -0.72 -0.67 2.04 -0.41 -0.66 117.51 119.64 3kip h ILE 60 Ca 0.37 -0.65 0.15 0.00 1.00 0.00 0.00 64.86 65.74 3kip h ILE 60 Cb -0.12 1.56 -0.13 0.00 -0.74 0.00 0.00 36.82 37.39 3kip h ILE 60 CO -0.09 0.18 -0.12 0.44 0.00 0.00 0.00 178.15 178.56 3kip h ASP 61 N -0.17 -0.55 -0.65 1.72 3.32 0.36 -0.24 116.42 120.21 3kip h ASP 61 Ca 0.01 0.21 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 3kip h ASP 61 Cb 0.28 0.40 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 3kip h ASP 61 CO 0.00 -0.22 0.17 -0.09 -1.72 0.00 0.00 179.24 177.38 3kip h ARG 62 N 0.03 1.06 -0.52 3.56 9.65 -0.33 -0.43 114.38 127.39 3kip h ARG 62 Ca 0.36 -0.24 -0.05 0.00 -1.10 0.00 0.00 59.98 58.95 3kip h ARG 62 Cb 0.58 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.00 3kip h ARG 62 CO -0.70 0.93 0.14 0.82 2.80 0.00 0.00 179.97 183.96 3kip h ILE 63 N 1.01 1.24 0.25 1.20 2.04 -0.03 0.10 117.51 123.33 3kip h ILE 63 Ca 0.21 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.25 3kip h ILE 63 Cb 0.35 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3kip h ILE 63 CO 0.00 0.30 -0.34 0.45 0.00 0.00 0.00 178.15 178.56 3kip h HIS 64 N 0.73 -0.92 -0.96 1.37 3.86 -0.34 -2.22 115.15 116.66 3kip h HIS 64 Ca 0.17 0.01 0.21 0.00 -1.16 0.00 0.00 60.37 59.60 3kip h HIS 64 Cb 0.31 0.37 -0.18 0.00 1.06 0.00 0.00 27.41 28.97 3kip h HIS 64 CO 0.02 -0.47 -0.18 1.49 0.86 0.00 0.00 177.93 179.66 3kip h GLU 65 N -0.65 0.00 -0.96 2.45 4.57 -1.00 -1.35 114.58 117.64 3kip h GLU 65 Ca -0.00 -0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.36 3kip h GLU 65 Cb 0.62 -0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.11 3kip h GLU 65 CO -0.12 0.00 0.56 0.00 -1.18 0.00 0.00 179.01 178.28 3kip h ALA 66 N 1.96 1.57 0.12 2.92 0.00 -0.33 -0.79 119.26 124.70 3kip h ALA 66 Ca 0.49 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.48 3kip h ALA 66 Cb 0.81 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3kip h ALA 66 CO -0.97 -0.07 -0.06 -0.22 0.00 0.00 0.00 179.25 177.94 3kip h LYS 67 N 0.71 -0.15 -0.99 0.00 1.63 -1.14 -0.79 116.57 115.84 3kip h LYS 67 Ca 0.55 0.01 0.24 0.00 -0.85 0.00 0.00 60.65 60.61 3kip h LYS 67 Cb 0.85 0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 32.43 3kip h LYS 67 CO -0.39 0.09 0.65 0.00 -3.45 0.00 0.00 179.45 176.36 3kip h ARG 68 N -0.39 0.36 -0.02 1.90 2.47 -1.12 0.13 114.38 117.71 3kip h ARG 68 Ca -0.02 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 3kip h ARG 68 Cb 0.32 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 3kip h ARG 68 CO 0.03 0.24 0.00 1.04 0.56 0.00 0.00 179.97 181.84 3kip n GLN 69 N -4.55 1.22 -1.70 0.04 6.02 -0.41 -4.91 117.38 113.09 3kip n GLN 69 Ca 0.23 -0.32 -0.15 0.00 -0.01 0.00 0.00 57.00 56.75 3kip n GLN 69 Cb 0.82 -1.45 -0.05 0.00 1.02 0.00 0.00 30.24 30.59 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 1.01 0.95 3.72 1.08 0.00 0.03 -4.96 105.19 107.02 3kip n GLY 70 Ca 0.20 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3kip n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kip s VAL 71 N -2.61 2.66 -0.84 1.61 1.01 -0.37 -4.74 120.40 117.12 3kip s VAL 71 Ca 0.00 0.48 0.17 0.00 0.00 0.00 0.00 61.98 62.63 3kip s VAL 71 Cb 0.00 -3.31 -0.17 0.00 0.00 0.00 0.00 36.38 32.90 3kip s VAL 71 CO 0.00 0.04 0.72 0.61 0.00 0.00 0.00 175.10 176.48 3kip n GLY 72 N 3.56 -0.55 3.46 4.51 0.00 -0.20 -4.75 105.19 111.22 3kip n GLY 72 Ca 0.13 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.55 -0.55 -0.06 1.61 2.19 -1.17 -4.40 117.98 113.04 3kip s PHE 73 Ca 0.07 0.87 0.03 0.00 0.33 0.00 0.00 56.93 58.23 3kip s PHE 73 Cb 0.13 0.36 0.01 0.00 -1.31 0.00 0.00 43.02 42.21 3kip s PHE 73 CO 0.68 -0.60 -0.15 0.08 1.83 0.00 0.00 175.22 177.06 3kip s VAL 74 N -1.52 1.30 -0.24 3.12 1.01 -0.53 -0.77 120.40 122.76 3kip s VAL 74 Ca -0.10 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 3kip s VAL 74 Cb -0.01 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 3kip s VAL 74 CO 0.06 0.39 0.04 -0.69 0.00 0.00 0.00 175.10 174.90 3kip s VAL 75 N 0.49 4.06 -0.05 2.92 1.01 -0.59 -1.29 120.40 126.95 3kip s VAL 75 Ca -0.13 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3kip s VAL 75 Cb -0.15 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.36 3kip s VAL 75 CO 0.04 0.37 -0.08 -0.51 0.00 0.00 0.00 175.10 174.92 3kip s ILE 76 N 1.51 0.80 -0.32 2.22 2.07 -0.44 -1.17 121.20 125.88 3kip s ILE 76 Ca 0.06 -0.31 0.01 0.00 -1.41 0.00 0.00 60.65 59.00 3kip s ILE 76 Cb -0.15 -0.76 0.08 0.00 0.13 0.00 0.00 42.46 41.76 3kip s ILE 76 CO 0.02 0.27 0.03 0.21 -1.91 0.00 0.00 174.94 173.56 3kip s ASN 77 N 0.63 4.83 0.00 4.50 3.84 0.43 0.09 114.94 129.26 3kip s ASN 77 Ca -0.11 -1.70 0.28 0.00 0.21 0.00 0.00 52.86 51.55 3kip s ASN 77 Cb -0.13 -1.67 1.14 0.00 -0.55 0.00 0.00 41.25 40.03 3kip s ASN 77 CO 0.02 -0.33 1.79 0.00 -2.79 0.00 0.00 177.10 175.79 3kip n ALA 78 N 4.47 2.59 -0.50 1.71 0.00 -1.26 -0.32 120.51 127.20 3kip n ALA 78 Ca -0.06 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3kip n ALA 78 Cb 0.42 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3kip n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kip n GLY 79 N 1.14 2.28 0.42 0.00 0.00 -1.26 -1.01 105.19 106.76 3kip n GLY 79 Ca 0.19 -0.28 0.23 0.00 0.00 0.00 0.00 46.02 46.17 3kip n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kip h ALA 80 N -0.50 2.58 0.00 4.61 0.00 -1.94 -2.02 119.26 121.99 3kip h ALA 80 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kip h ALA 80 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kip h ALA 80 CO 0.00 -0.79 0.00 0.66 0.00 0.00 0.00 179.25 179.12 3kip n TYR 81 N -4.35 0.72 -0.08 0.00 4.01 -0.18 -1.37 117.16 115.90 3kip n TYR 81 Ca 0.14 0.32 0.06 0.00 -0.16 0.00 0.00 57.90 58.26 3kip n TYR 81 Cb 0.74 -1.02 0.41 0.00 -0.31 0.00 0.00 39.34 39.16 3kip n TYR 81 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3kip h THR 82 N 0.00 1.05 0.00 -0.72 2.02 -1.47 0.19 112.91 113.98 3kip h THR 82 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3kip h THR 82 Cb 0.19 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 3kip h THR 82 CO 0.00 0.11 -0.98 1.41 0.37 0.00 0.00 175.52 176.43 3kip n HIS 83 N -4.47 0.45 0.00 3.16 8.25 -0.47 0.28 115.22 122.42 3kip n HIS 83 Ca 0.07 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 3kip n HIS 83 Cb 0.16 -0.59 0.00 0.00 1.12 0.00 0.00 29.99 30.68 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 -2.15 0.00 -3.22 1.59 -2.24 -0.95 -4.75 114.28 102.55 3kip n THR 84 Ca 0.02 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.34 3kip n THR 84 Cb 0.47 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 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 -2.54 6.45 0.38 3.42 0.15 0.61 -4.84 113.70 117.33 3kip s SER 85 Ca 0.00 -2.07 0.06 0.00 0.70 0.00 0.00 55.95 54.64 3kip s SER 85 Cb 0.00 -2.25 0.74 0.00 -1.71 0.00 0.00 66.02 62.79 3kip s SER 85 CO 0.00 -0.84 1.96 0.58 1.20 0.00 0.00 173.24 176.14 3kip h VAL 86 N 5.48 1.15 -0.37 4.45 2.07 -1.94 -3.22 116.25 123.87 3kip h VAL 86 Ca -0.09 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 66.97 3kip h VAL 86 Cb 1.07 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 3kip h VAL 86 CO 0.96 0.19 0.04 1.23 0.02 0.00 0.00 177.57 180.01 3kip h GLY 87 N 0.69 0.41 0.83 2.17 0.00 -1.97 0.19 103.07 105.39 3kip h GLY 87 Ca 0.12 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.49 3kip h GLY 87 CO -0.01 -0.06 0.46 -2.22 0.00 0.00 0.00 176.54 174.71 3kip h ILE 88 N 0.15 1.08 -0.33 2.60 2.04 -1.91 0.16 117.51 121.31 3kip h ILE 88 Ca 0.18 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.75 3kip h ILE 88 Cb 0.23 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3kip h ILE 88 CO -0.27 0.16 0.21 -0.09 0.00 0.00 0.00 178.15 178.16 3kip h ARG 89 N 0.88 0.41 0.00 2.37 2.43 -1.15 -0.65 114.38 118.67 3kip h ARG 89 Ca 0.30 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.40 3kip h ARG 89 Cb 0.05 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3kip h ARG 89 CO -0.12 0.27 -0.22 -0.44 -1.51 0.00 0.00 179.97 177.95 3kip h ASP 90 N 0.42 0.00 -0.13 -3.80 5.19 -0.44 -0.83 116.42 116.83 3kip h ASP 90 Ca 0.12 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.48 3kip h ASP 90 Cb -0.03 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.48 3kip h ASP 90 CO -0.04 0.22 -0.12 0.00 -3.12 0.00 0.00 179.24 176.18 3kip h ALA 91 N 1.78 0.19 -0.56 3.45 0.00 0.48 0.10 119.26 124.71 3kip h ALA 91 Ca -0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 3kip h ALA 91 Cb 0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3kip h ALA 91 CO 0.03 0.05 -0.05 -0.07 0.00 0.00 0.00 179.25 179.21 3kip h LEU 92 N -0.06 0.99 -0.69 0.00 3.38 -0.83 -1.26 115.31 116.83 3kip h LEU 92 Ca 0.02 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 3kip h LEU 92 Cb 0.64 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3kip h LEU 92 CO 0.03 1.07 0.02 -0.07 0.09 0.00 0.00 178.44 179.58 3kip h LEU 93 N 0.91 1.00 -0.55 1.67 3.38 -1.18 -0.90 115.31 119.64 3kip h LEU 93 Ca 0.15 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3kip h LEU 93 Cb 0.60 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3kip h LEU 93 CO 0.04 1.04 0.01 1.23 0.09 0.00 0.00 178.44 180.85 3kip h GLY 94 N 1.00 1.05 0.59 0.83 0.00 -0.20 -2.62 103.07 103.71 3kip h GLY 94 Ca 0.17 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3kip h GLY 94 CO 0.03 0.70 -0.83 -1.30 0.00 0.00 0.00 176.54 175.14 3kip n THR 95 N -4.26 0.06 -2.58 4.70 -2.24 -0.53 -4.99 114.28 104.44 3kip n THR 95 Ca 0.02 -0.09 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 3kip n THR 95 Cb 0.33 0.43 0.02 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.62 -0.43 -2.65 6.98 0.00 -0.36 -4.97 120.51 117.45 3kip n ALA 96 Ca 0.04 0.13 -0.38 0.00 0.00 0.00 0.00 53.44 53.23 3kip n ALA 96 Cb 0.37 -2.00 -0.09 0.00 0.00 0.00 0.00 19.45 17.74 3kip n ALA 96 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kip s ILE 97 N -2.80 5.26 0.61 0.00 1.01 -1.10 -5.05 121.20 119.14 3kip s ILE 97 Ca 0.13 0.47 -0.18 0.00 0.00 0.00 0.00 60.65 61.07 3kip s ILE 97 Cb -0.06 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 3kip s ILE 97 CO 0.16 0.27 1.17 -2.16 0.00 0.00 0.00 174.94 174.39 3kip s PRO 98 N 1.35 2.90 0.07 2.79 0.04 -1.26 -4.80 135.00 136.10 3kip s PRO 98 Ca 0.14 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 3kip s PRO 98 Cb -0.14 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.49 3kip s PRO 98 CO 0.07 -1.23 0.40 -0.59 0.04 0.00 0.00 177.00 175.69 3kip s PHE 99 N -1.82 -0.23 -0.07 0.56 -0.71 -1.26 -1.46 117.98 113.00 3kip s PHE 99 Ca 0.74 0.08 0.04 0.00 -1.04 0.00 0.00 56.93 56.76 3kip s PHE 99 Cb -0.27 0.22 -0.00 0.00 -1.21 0.00 0.00 43.02 41.76 3kip s PHE 99 CO 0.35 -0.61 -0.21 0.42 -1.34 0.00 0.00 175.22 173.82 3kip s ILE 100 N -2.96 1.80 -0.21 -4.49 1.01 -0.41 0.23 121.20 116.16 3kip s ILE 100 Ca -0.02 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 59.53 3kip s ILE 100 Cb 0.00 -1.55 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 3kip s ILE 100 CO -0.06 0.50 0.63 -0.70 0.00 0.00 0.00 174.94 175.32 3kip s GLU 101 N 0.18 4.19 -0.10 2.79 2.12 -0.54 -1.32 118.70 126.02 3kip s GLU 101 Ca -0.11 0.61 -0.01 0.00 0.36 0.00 0.00 54.97 55.82 3kip s GLU 101 Cb -0.15 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.61 3kip s GLU 101 CO 0.05 -0.28 -0.05 0.08 -0.54 0.00 0.00 175.26 174.52 3kip s VAL 102 N 2.05 3.84 -0.09 3.70 1.01 0.11 -1.25 120.40 129.78 3kip s VAL 102 Ca 0.28 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.87 3kip s VAL 102 Cb -0.16 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.62 3kip s VAL 102 CO 0.10 0.57 -0.14 -1.00 0.00 0.00 0.00 175.10 174.63 3kip s HIS 103 N -0.45 1.75 0.15 5.22 3.76 -0.45 -4.19 115.29 121.07 3kip s HIS 103 Ca 0.07 -0.75 -0.17 0.00 -0.15 0.00 0.00 55.06 54.06 3kip s HIS 103 Cb -0.12 -1.28 0.02 0.00 1.11 0.00 0.00 32.58 32.31 3kip s HIS 103 CO 0.02 -0.39 1.77 0.82 -0.85 0.00 0.00 174.74 176.11 3kip h ILE 104 N 5.97 0.99 -1.58 0.60 2.04 -1.86 -2.01 117.51 121.65 3kip h ILE 104 Ca -0.30 -0.12 -0.46 0.00 1.00 0.00 0.00 64.86 64.98 3kip h ILE 104 Cb 1.18 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3kip h ILE 104 CO 0.47 0.06 -0.34 0.42 0.00 0.00 0.00 178.15 178.77 3kip s THR 105 N -6.16 3.12 -0.69 -0.27 -4.23 -1.26 -2.41 115.64 103.73 3kip s THR 105 Ca -0.13 -1.17 -0.27 0.00 -1.18 0.00 0.00 61.69 58.94 3kip s THR 105 Cb 0.11 -3.09 0.02 0.00 1.34 0.00 0.00 72.50 70.88 3kip s THR 105 CO 0.71 -0.05 1.40 0.21 -0.54 0.00 0.00 174.62 176.35 3kip s ASN 106 N -4.20 6.01 0.52 3.99 3.84 -1.26 -3.09 114.94 120.74 3kip s ASN 106 Ca 0.49 -0.20 0.21 0.00 0.21 0.00 0.00 52.86 53.57 3kip s ASN 106 Cb -0.07 -2.55 1.32 0.00 -0.55 0.00 0.00 41.25 39.39 3kip s ASN 106 CO 0.30 -1.91 2.05 -0.37 -2.79 0.00 0.00 177.10 174.38 3kip h VAL 107 N 6.23 0.85 0.00 -5.21 -1.51 -1.92 -1.43 116.25 113.26 3kip h VAL 107 Ca -0.27 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 3kip h VAL 107 Cb 1.08 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 3kip h VAL 107 CO 1.25 0.01 0.00 1.41 -1.23 0.00 0.00 177.57 179.01 3kip n HIS 108 N -4.45 0.00 1.26 5.19 8.25 -1.26 -0.35 115.22 123.86 3kip n HIS 108 Ca 0.05 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.64 3kip n HIS 108 Cb 0.39 -0.37 0.38 0.00 1.12 0.00 0.00 29.99 31.51 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 -1.37 0.91 0.00 -0.41 6.02 -0.54 -4.96 117.38 117.03 3kip n GLN 109 Ca 0.03 -0.54 0.00 0.00 -0.01 0.00 0.00 57.00 56.48 3kip n GLN 109 Cb 0.08 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.85 3kip n GLN 109 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3kip n ARG 110 N -0.57 3.95 -2.10 -1.09 1.74 0.53 -5.06 116.66 114.06 3kip n ARG 110 Ca 0.13 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.79 3kip n ARG 110 Cb 0.35 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.76 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 2.63 4.31 0.52 5.56 8.01 -1.26 -4.88 118.70 133.59 3kip s GLU 111 Ca 0.00 2.19 0.33 0.00 0.01 0.00 0.00 54.97 57.50 3kip s GLU 111 Cb 0.00 -3.16 1.47 0.00 -4.31 0.00 0.00 34.13 28.12 3kip s GLU 111 CO 0.00 -0.38 1.82 -1.35 0.01 0.00 0.00 175.26 175.36 3kip h PRO 112 N 5.56 0.06 -0.09 0.39 0.11 -1.96 0.61 132.00 136.69 3kip h PRO 112 Ca -0.45 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.69 3kip h PRO 112 Cb 1.21 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kip h PRO 112 CO 0.80 0.04 0.14 0.27 -0.21 0.00 0.00 178.00 179.04 3kip h PHE 113 N 0.06 0.00 0.00 0.65 -5.15 -1.97 0.52 116.94 111.05 3kip h PHE 113 Ca 0.54 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.31 3kip h PHE 113 Cb 2.02 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.19 3kip h PHE 113 CO -0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 178.31 176.24 3kip h ARG 114 N 0.00 0.00 0.00 6.09 3.08 -0.10 -3.16 114.38 120.29 3kip h ARG 114 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3kip h ARG 114 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3kip h ARG 114 CO -0.00 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 179.35 3kip h HIS 115 N 0.00 0.00 -3.28 3.04 3.86 -0.95 -3.43 115.15 114.38 3kip h HIS 115 Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 3kip h HIS 115 Cb 0.85 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.28 3kip h HIS 115 CO 0.00 0.00 -0.00 -0.65 0.86 0.00 0.00 177.93 178.14 3kip s GLN 116 N -3.65 4.27 -0.00 2.45 -1.52 -1.20 -5.07 119.66 114.94 3kip s GLN 116 Ca 0.01 0.79 0.03 0.00 -1.95 0.00 0.00 55.36 54.24 3kip s GLN 116 Cb 0.09 -3.26 -0.01 0.00 -0.22 0.00 0.00 33.01 29.61 3kip s GLN 116 CO 0.49 0.58 -0.10 0.45 -0.25 0.00 0.00 175.29 176.46 3kip s SER 117 N -0.93 1.18 0.00 5.90 0.15 -1.26 -4.31 113.70 114.43 3kip s SER 117 Ca 0.30 -0.21 0.29 0.00 0.70 0.00 0.00 55.95 57.03 3kip s SER 117 Cb -0.20 -0.12 1.22 0.00 -1.71 0.00 0.00 66.02 65.22 3kip s SER 117 CO 0.20 0.10 1.85 -1.22 1.20 0.00 0.00 173.24 175.36 3kip n TYR 118 N 2.71 0.00 -0.06 3.44 4.01 0.14 -4.14 117.16 123.27 3kip n TYR 118 Ca -0.14 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.57 3kip n TYR 118 Cb 0.56 -0.06 -0.14 0.00 -0.31 0.00 0.00 39.34 39.40 3kip n TYR 118 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3kip n LEU 119 N -0.43 0.00 -0.29 7.72 4.77 -1.26 -4.73 117.00 122.77 3kip n LEU 119 Ca 0.18 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.20 3kip n LEU 119 Cb 0.29 0.27 0.25 0.00 -2.33 0.00 0.00 43.42 41.89 3kip n LEU 119 CO 0.20 0.27 1.25 0.28 -1.33 0.00 0.00 177.39 178.06 3kip h SER 120 N 0.00 0.89 0.75 -1.43 0.02 -1.95 0.53 113.55 112.37 3kip h SER 120 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3kip h SER 120 Cb 1.62 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.98 3kip h SER 120 CO 0.02 0.58 -0.07 -0.90 -1.14 0.00 0.00 176.83 175.31 3kip n ASP 121 N -4.48 0.12 -0.14 3.07 5.75 -1.26 -2.72 116.55 116.88 3kip n ASP 121 Ca 0.13 0.11 0.02 0.00 -0.01 0.00 0.00 54.79 55.03 3kip n ASP 121 Cb 0.19 -0.30 0.02 0.00 -1.03 0.00 0.00 41.12 40.00 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 -1.37 0.74 -1.95 0.11 4.76 -0.09 -5.02 118.16 115.34 3kip n LYS 122 Ca 0.10 -1.04 -0.32 0.00 -2.87 0.00 0.00 58.31 54.18 3kip n LYS 122 Cb 0.31 -1.06 0.01 0.00 -1.84 0.00 0.00 35.03 32.44 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 -0.53 2.89 0.22 7.82 0.00 -0.01 -4.79 121.76 127.35 3kip s ALA 123 Ca 0.05 0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.09 3kip s ALA 123 Cb 0.03 -3.15 0.20 0.00 0.00 0.00 0.00 23.12 20.20 3kip s ALA 123 CO 0.04 -0.76 1.68 0.28 0.00 0.00 0.00 175.76 176.99 3kip h VAL 124 N 0.03 1.26 -3.09 0.00 2.07 -0.56 -3.47 116.25 112.48 3kip h VAL 124 Ca -0.45 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 65.88 3kip h VAL 124 Cb 1.20 0.96 -0.11 0.00 -1.52 0.00 0.00 31.29 31.82 3kip h VAL 124 CO 0.59 0.41 0.15 0.00 0.02 0.00 0.00 177.57 178.74 3kip s ALA 125 N -4.87 -1.40 -0.11 1.67 0.00 -1.25 -5.06 121.76 110.74 3kip s ALA 125 Ca -0.10 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 3kip s ALA 125 Cb 0.14 0.85 0.04 0.00 0.00 0.00 0.00 23.12 24.14 3kip s ALA 125 CO 0.83 -0.77 -0.01 0.08 0.00 0.00 0.00 175.76 175.89 3kip s VAL 126 N -3.78 0.57 -0.23 0.00 1.01 -1.26 -1.47 120.40 115.23 3kip s VAL 126 Ca 0.03 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 3kip s VAL 126 Cb -0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 3kip s VAL 126 CO -0.10 0.15 0.07 -0.63 0.00 0.00 0.00 175.10 174.59 3kip s ILE 127 N 1.88 4.46 -0.02 2.22 1.01 -0.38 -4.98 121.20 125.39 3kip s ILE 127 Ca 0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 60.65 60.55 3kip s ILE 127 Cb -0.14 -3.06 0.03 0.00 0.01 0.00 0.00 42.46 39.30 3kip s ILE 127 CO -0.07 0.37 0.03 0.00 0.00 0.00 0.00 174.94 175.28 3kip n GLY 129 N 4.37 0.93 0.84 0.00 0.00 -0.76 -4.62 105.19 105.95 3kip n GLY 129 Ca -0.24 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 45.82 3kip n GLY 129 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kip n LEU 130 N 0.00 2.47 0.00 0.99 7.94 -1.22 -4.73 117.00 122.44 3kip n LEU 130 Ca 0.00 -1.14 0.00 0.00 -1.11 0.00 0.00 56.01 53.76 3kip n LEU 130 Cb 0.00 -0.24 0.00 0.00 0.53 0.00 0.00 43.42 43.71 3kip n LEU 130 CO 0.00 0.57 0.00 0.61 -1.11 0.00 0.00 177.39 177.46 3kip n GLY 131 N 1.27 -1.26 0.28 -3.96 0.00 -1.01 -3.46 105.19 97.05 3kip n GLY 131 Ca 0.17 -1.26 0.16 0.00 0.00 0.00 0.00 46.02 45.09 3kip n GLY 131 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kip h VAL 132 N 0.00 0.16 -0.15 1.61 -1.51 -1.96 -0.73 116.25 113.67 3kip h VAL 132 Ca 0.00 -0.55 0.04 0.00 -1.23 0.00 0.00 66.70 64.97 3kip h VAL 132 Cb 0.00 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 3kip h VAL 132 CO 0.00 0.05 0.22 0.22 -1.23 0.00 0.00 177.57 176.83 3kip h TYR 133 N 0.00 0.00 -0.50 5.19 3.20 -1.98 -1.24 116.97 121.64 3kip h TYR 133 Ca -0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3kip h TYR 133 Cb 0.46 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 3kip h TYR 133 CO 0.00 0.00 0.16 0.78 -1.64 0.00 0.00 178.16 177.46 3kip h GLY 134 N 0.00 0.79 1.12 1.82 0.00 -1.15 0.78 103.07 106.42 3kip h GLY 134 Ca 0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 3kip h GLY 134 CO -0.00 0.39 0.29 -0.97 0.00 0.00 0.00 176.54 176.25 3kip h TYR 135 N 0.72 1.14 -0.61 5.60 0.05 -1.40 -2.30 116.97 120.17 3kip h TYR 135 Ca 0.17 -0.09 -0.08 0.00 0.05 0.00 0.00 58.73 58.79 3kip h TYR 135 Cb 0.21 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.59 3kip h TYR 135 CO 0.01 0.87 0.08 1.15 -1.05 0.00 0.00 178.16 179.22 3kip h THR 136 N 1.09 1.26 -0.18 -2.88 2.02 -0.91 -2.12 112.91 111.19 3kip h THR 136 Ca 0.25 -1.01 -0.04 0.00 0.77 0.00 0.00 66.41 66.38 3kip h THR 136 Cb 0.22 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3kip h THR 136 CO -0.02 0.37 -0.04 0.00 0.37 0.00 0.00 175.52 176.21 3kip h ALA 137 N 1.14 0.25 -0.48 6.16 0.00 -1.09 -0.34 119.26 124.90 3kip h ALA 137 Ca 0.19 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3kip h ALA 137 Cb 0.43 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3kip h ALA 137 CO 0.01 0.01 0.10 0.00 0.00 0.00 0.00 179.25 179.37 3kip h ALA 138 N 0.73 0.54 -0.61 0.00 0.00 -1.32 -1.43 119.26 117.16 3kip h ALA 138 Ca 0.05 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3kip h ALA 138 Cb 0.47 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3kip h ALA 138 CO 0.02 -0.30 0.17 0.82 0.00 0.00 0.00 179.25 179.95 3kip h ILE 139 N 0.24 1.24 -0.84 0.00 2.04 -1.21 0.18 117.51 119.15 3kip h ILE 139 Ca 0.24 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 3kip h ILE 139 Cb 0.31 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3kip h ILE 139 CO -0.31 0.32 0.47 -0.33 0.00 0.00 0.00 178.15 178.30 3kip h GLU 140 N 0.90 1.16 -0.28 2.37 4.39 -0.53 -1.35 114.58 121.24 3kip h GLU 140 Ca 0.20 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 3kip h GLU 140 Cb 0.29 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3kip h GLU 140 CO -0.00 0.84 0.13 -0.92 -1.16 0.00 0.00 179.01 177.90 3kip h TYR 141 N 1.17 0.41 0.07 4.33 5.03 -0.03 -2.76 116.97 125.20 3kip h TYR 141 Ca 0.30 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.59 3kip h TYR 141 Cb 0.01 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.16 3kip h TYR 141 CO 0.01 0.39 -0.06 0.00 -1.32 0.00 0.00 178.16 177.18 3kip h ALA 142 N 0.98 -0.13 0.00 1.82 0.00 -0.49 -0.43 119.26 121.02 3kip h ALA 142 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kip h ALA 142 Cb 0.14 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kip h ALA 142 CO -0.01 -0.58 0.00 1.28 0.00 0.00 0.00 179.25 179.94 3kip n LEU 143 N -5.17 0.00 -1.01 0.00 4.77 -0.53 -2.33 117.00 112.72 3kip n LEU 143 Ca -0.07 0.36 0.08 0.00 -0.03 0.00 0.00 56.01 56.35 3kip n LEU 143 Cb 0.10 -0.36 0.25 0.00 -2.33 0.00 0.00 43.42 41.07 3kip n LEU 143 CO 0.32 -0.24 0.71 0.59 -1.33 0.00 0.00 177.39 177.44 3kip n ASN 144 N -1.36 3.66 -4.66 -1.43 4.13 -0.18 -4.50 115.26 110.92 3kip n ASN 144 Ca 0.04 -2.25 -0.35 0.00 1.68 0.00 0.00 54.58 53.70 3kip n ASN 144 Cb 0.09 -0.40 -0.10 0.00 -1.54 0.00 0.00 39.78 37.84 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 -1.45 3.23 -0.07 3.10 5.04 -0.98 -4.91 117.35 121.31 3kip s TYR 145 Ca 0.37 0.11 -0.30 0.00 -2.44 0.00 0.00 57.07 54.81 3kip s TYR 145 Cb 0.22 -1.96 -0.04 0.00 0.35 0.00 0.00 41.96 40.54 3kip s TYR 145 CO 0.20 0.29 1.33 -0.65 -1.34 0.00 0.00 175.55 175.38 3kip s GLN 146 N -0.17 4.28 0.00 4.97 -0.21 -1.26 -1.58 119.66 125.69 3kip s GLN 146 Ca 0.06 1.82 0.00 0.00 0.02 0.00 0.00 55.36 57.27 3kip s GLN 146 Cb -0.12 -3.67 0.00 0.00 1.00 0.00 0.00 33.01 30.22 3kip s GLN 146 CO 0.02 -0.61 0.00 1.28 -2.12 0.00 0.00 175.29 173.86