#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 3.38 -0.21 4.08 1.01 -0.85 -4.68 120.40 123.13 3kip s VAL 1 Ca 0.00 0.87 0.04 0.00 0.00 0.00 0.00 61.98 62.89 3kip s VAL 1 Cb 0.00 -3.56 -0.20 0.00 0.00 0.00 0.00 36.38 32.62 3kip s VAL 1 CO 0.00 0.02 -0.02 0.29 0.00 0.00 0.00 175.10 175.39 3kip n LYS 2 N 4.99 0.68 -4.47 2.72 4.76 -1.26 -4.71 118.16 120.87 3kip n LYS 2 Ca 0.13 0.14 -0.33 0.00 -2.87 0.00 0.00 58.31 55.38 3kip n LYS 2 Cb 0.42 -1.57 -0.15 0.00 -1.84 0.00 0.00 35.03 31.90 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 -2.52 3.32 -0.02 1.97 2.47 -1.26 -1.34 119.74 122.35 3kip s LYS 3 Ca -0.26 -0.69 0.05 0.00 -1.56 0.00 0.00 55.97 53.50 3kip s LYS 3 Cb 0.08 -2.72 -0.01 0.00 -1.46 0.00 0.00 37.83 33.72 3kip s LYS 3 CO 0.69 0.05 -0.16 0.08 0.16 0.00 0.00 175.35 176.17 3kip s VAL 4 N 0.78 1.26 -0.21 4.02 1.01 -0.81 -1.37 120.40 125.07 3kip s VAL 4 Ca -0.05 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 3kip s VAL 4 Cb -0.15 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 3kip s VAL 4 CO 0.01 0.36 0.04 -0.22 0.00 0.00 0.00 175.10 175.29 3kip s LEU 5 N -0.21 3.41 -0.28 3.92 2.96 -0.11 0.41 118.68 128.78 3kip s LEU 5 Ca 0.03 -0.16 -0.14 0.00 -0.22 0.00 0.00 54.13 53.64 3kip s LEU 5 Cb -0.08 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 3kip s LEU 5 CO 0.00 0.05 0.35 -0.22 -1.32 0.00 0.00 176.35 175.21 3kip s LEU 6 N 1.12 4.09 -0.14 -0.68 2.96 0.21 -0.92 118.68 125.32 3kip s LEU 6 Ca 0.03 0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 3kip s LEU 6 Cb -0.14 -2.37 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 3kip s LEU 6 CO 0.02 -0.19 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.13 3kip s ILE 7 N 2.02 3.29 0.04 6.68 1.01 -0.46 0.57 121.20 134.34 3kip s ILE 7 Ca 0.13 -0.58 0.08 0.00 0.00 0.00 0.00 60.65 60.29 3kip s ILE 7 Cb -0.16 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 3kip s ILE 7 CO 0.10 0.52 -0.23 0.20 0.00 0.00 0.00 174.94 175.53 3kip s ASN 8 N 0.35 3.39 0.00 3.58 -0.87 -0.02 -1.78 114.94 119.59 3kip s ASN 8 Ca -0.09 -0.52 0.00 0.00 -1.57 0.00 0.00 52.86 50.68 3kip s ASN 8 Cb -0.15 -0.41 0.00 0.00 -0.02 0.00 0.00 41.25 40.66 3kip s ASN 8 CO 0.05 0.26 0.00 0.61 -2.57 0.00 0.00 177.10 175.45 3kip n GLY 9 N 1.75 2.08 3.72 0.66 0.00 0.32 -2.76 105.19 110.96 3kip n GLY 9 Ca -0.17 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 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 2.54 0.00 1.61 -0.04 -1.17 -2.24 135.00 135.70 3kip n PRO 10 Ca 0.00 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 3kip n PRO 10 Cb 0.00 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 30.79 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 2.40 0.00 0.25 3.54 3.02 -1.26 -4.39 115.26 118.82 3kip n ASN 11 Ca 0.10 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.82 3kip n ASN 11 Cb 0.35 0.00 0.90 0.00 -0.61 0.00 0.00 39.78 40.42 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 -2.35 3.41 3.38 -1.81 0.24 115.31 118.17 3kip h LEU 12 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 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 -0.02 -0.55 0.09 0.00 0.00 178.44 177.96 3kip h ASN 13 N 0.00 0.00 0.88 -0.43 7.08 -1.90 -2.29 115.58 118.93 3kip h ASN 13 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3kip h ASN 13 Cb 0.03 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.27 3kip h ASN 13 CO 0.00 0.02 0.00 0.18 -2.08 0.00 0.00 177.43 175.55 3kip n LEU 14 N -3.84 0.26 -4.74 6.14 4.77 0.84 -4.58 117.00 115.85 3kip n LEU 14 Ca -0.03 0.54 -0.41 0.00 -0.03 0.00 0.00 56.01 56.09 3kip n LEU 14 Cb 0.11 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 3kip n LEU 14 CO 0.28 -0.21 0.77 -1.48 -1.33 0.00 0.00 177.39 175.43 3kip s LEU 15 N -3.52 4.52 -0.36 2.23 2.34 -0.86 -0.75 118.68 122.28 3kip s LEU 15 Ca 0.10 2.11 0.02 0.00 0.06 0.00 0.00 54.13 56.42 3kip s LEU 15 Cb 0.13 -3.61 0.11 0.00 -0.56 0.00 0.00 46.19 42.26 3kip s LEU 15 CO 0.44 -0.16 0.11 -0.83 -1.06 0.00 0.00 176.35 174.84 3kip s GLY 16 N -0.41 1.67 -0.01 -3.48 0.00 -1.10 -2.72 107.32 101.27 3kip s GLY 16 Ca 0.47 -2.33 0.12 0.00 0.00 0.00 0.00 44.72 42.98 3kip s GLY 16 CO 0.36 1.24 0.41 -1.30 0.00 0.00 0.00 173.10 173.80 3kip n THR 17 N 4.27 0.00 -0.04 0.90 -2.24 0.07 -4.72 114.28 112.52 3kip n THR 17 Ca 0.03 -0.24 -0.22 0.00 -2.27 0.00 0.00 64.05 61.34 3kip n THR 17 Cb 0.40 0.70 -0.13 0.00 -2.10 0.00 0.00 70.33 69.20 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 -1.53 0.69 -0.39 -0.78 0.63 -1.26 -5.20 116.66 108.82 3kip n ARG 18 Ca 0.00 0.37 0.02 0.00 -0.92 0.00 0.00 57.85 57.32 3kip n ARG 18 Cb 0.23 -1.72 0.02 0.00 0.45 0.00 0.00 32.46 31.45 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 -3.81 0.00 -2.56 -0.14 9.36 -1.26 -5.17 117.16 113.58 3kip n TYR 23 Ca -0.33 -0.18 -0.24 0.00 3.32 0.00 0.00 57.90 60.47 3kip n TYR 23 Cb 0.92 -0.07 0.13 0.00 -0.63 0.00 0.00 39.34 39.69 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 -1.28 1.75 0.00 2.98 0.00 -1.26 -4.94 107.32 104.57 3kip s GLY 24 Ca 0.06 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 42.96 3kip s GLY 24 CO 0.01 -1.18 0.45 -1.30 0.00 0.00 0.00 173.10 171.08 3kip n THR 25 N -2.97 0.00 -2.58 0.90 -2.24 -1.26 -4.55 114.28 101.58 3kip n THR 25 Ca 0.17 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.52 3kip n THR 25 Cb 0.61 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.43 4.54 0.42 4.28 2.01 -1.26 -4.62 115.64 119.58 3kip s THR 26 Ca 0.00 1.85 0.08 0.00 0.31 0.00 0.00 61.69 63.93 3kip s THR 26 Cb 0.00 -4.19 0.01 0.00 0.01 0.00 0.00 72.50 68.33 3kip s THR 26 CO 0.00 -0.11 0.57 -0.94 -0.69 0.00 0.00 174.62 173.46 3kip s SER 27 N 1.41 5.63 0.34 3.53 1.04 -1.26 -2.72 113.70 121.68 3kip s SER 27 Ca 0.49 -0.44 0.09 0.00 0.48 0.00 0.00 55.95 56.57 3kip s SER 27 Cb -0.19 -0.63 0.60 0.00 0.10 0.00 0.00 66.02 65.91 3kip s SER 27 CO 0.13 -0.78 1.79 0.25 0.98 0.00 0.00 173.24 175.61 3kip h LEU 28 N 0.63 0.19 -0.24 2.42 5.85 -1.72 -2.06 115.31 120.38 3kip h LEU 28 Ca -0.40 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 3kip h LEU 28 Cb 1.28 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3kip h LEU 28 CO 0.45 0.51 0.05 -1.28 -0.34 0.00 0.00 178.44 177.83 3kip h SER 29 N 0.17 0.38 -0.48 1.25 0.87 -1.93 -1.81 113.55 112.00 3kip h SER 29 Ca 0.02 -0.25 0.09 0.00 -1.23 0.00 0.00 61.79 60.43 3kip h SER 29 Cb 0.66 -0.10 -0.10 0.00 -0.44 0.00 0.00 62.40 62.41 3kip h SER 29 CO 0.05 0.53 -0.28 0.44 -0.53 0.00 0.00 176.83 177.04 3kip h ASP 30 N 0.21 -0.95 -0.46 6.23 3.32 -1.76 0.14 116.42 123.15 3kip h ASP 30 Ca 0.07 0.19 0.09 0.00 0.02 0.00 0.00 57.03 57.41 3kip h ASP 30 Cb 0.31 0.48 -0.08 0.00 0.22 0.00 0.00 39.33 40.26 3kip h ASP 30 CO 0.00 -0.29 -0.03 0.40 -1.72 0.00 0.00 179.24 177.61 3kip h ILE 31 N -0.17 0.61 -0.21 0.35 2.04 -1.26 -0.63 117.51 118.24 3kip h ILE 31 Ca 0.21 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 66.02 3kip h ILE 31 Cb 0.51 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3kip h ILE 31 CO -0.58 0.01 0.05 -0.33 0.00 0.00 0.00 178.15 177.31 3kip h GLU 32 N 0.08 0.33 -0.15 2.37 5.08 -0.23 -1.90 114.58 120.16 3kip h GLU 32 Ca 0.23 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3kip h GLU 32 Cb 0.34 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3kip h GLU 32 CO -0.41 0.45 -0.05 1.96 -1.00 0.00 0.00 179.01 179.96 3kip h GLN 33 N 0.15 -0.03 -0.46 2.33 1.08 -0.46 -0.04 115.11 117.68 3kip h GLN 33 Ca 0.06 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.36 3kip h GLN 33 Cb 0.27 0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 27.62 3kip h GLN 33 CO 0.00 -0.02 -0.14 0.00 -0.95 0.00 0.00 178.83 177.72 3kip h ALA 34 N 1.11 0.26 -0.51 3.87 0.00 -1.00 -1.08 119.26 121.91 3kip h ALA 34 Ca 0.08 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3kip h ALA 34 Cb 0.15 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3kip h ALA 34 CO -0.17 -0.47 0.21 0.00 0.00 0.00 0.00 179.25 178.81 3kip h ALA 35 N 1.39 0.66 -0.77 0.00 0.00 -0.90 -0.13 119.26 119.51 3kip h ALA 35 Ca 0.22 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.09 3kip h ALA 35 Cb 0.37 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 3kip h ALA 35 CO -0.49 0.26 0.40 0.82 0.00 0.00 0.00 179.25 180.24 3kip h ILE 36 N 0.68 0.83 -0.09 0.00 2.04 -0.05 -2.70 117.51 118.22 3kip h ILE 36 Ca 0.17 -0.22 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 3kip h ILE 36 Cb 0.19 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3kip h ILE 36 CO -0.01 0.12 -0.30 -0.33 0.00 0.00 0.00 178.15 177.62 3kip h GLU 37 N 0.65 0.36 -0.85 2.37 4.39 -1.05 -2.19 114.58 118.26 3kip h GLU 37 Ca 0.39 -0.27 0.20 0.00 0.34 0.00 0.00 59.36 60.02 3kip h GLU 37 Cb 0.43 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.01 3kip h GLU 37 CO -0.29 0.90 0.32 0.37 -1.16 0.00 0.00 179.01 179.15 3kip h GLN 38 N -0.10 0.34 -0.12 2.33 4.15 -0.95 -0.21 115.11 120.55 3kip h GLN 38 Ca -0.01 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.25 3kip h GLN 38 Cb 0.93 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.55 3kip h GLN 38 CO 0.06 0.22 -0.45 0.00 -1.93 0.00 0.00 178.83 176.74 3kip h ALA 39 N 1.69 0.22 -0.74 3.38 0.00 -1.43 -3.24 119.26 119.14 3kip h ALA 39 Ca 0.52 -0.48 0.11 0.00 0.00 0.00 0.00 54.91 55.06 3kip h ALA 39 Cb 0.96 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 3kip h ALA 39 CO -0.54 0.37 0.36 0.87 0.00 0.00 0.00 179.25 180.31 3kip h LYS 40 N 0.14 0.56 -0.12 0.00 1.57 -0.60 -2.79 116.57 115.33 3kip h LYS 40 Ca -0.02 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3kip h LYS 40 Cb 1.08 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 3kip h LYS 40 CO 0.10 0.37 0.25 -0.07 -0.57 0.00 0.00 179.45 179.53 3kip h LEU 41 N 0.58 0.00 -0.67 2.94 -0.00 -1.11 -0.51 115.31 116.55 3kip h LEU 41 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.26 3kip h LEU 41 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 3kip h LEU 41 CO -0.31 0.00 0.00 0.11 -0.00 0.00 0.00 178.44 178.24 3kip h LYS 42 N 0.00 0.00 -6.82 1.13 1.79 -1.59 -3.47 116.57 107.61 3kip h LYS 42 Ca 0.06 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.98 3kip h LYS 42 Cb 0.56 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.21 3kip h LYS 42 CO -0.00 0.00 -1.02 -1.71 -1.08 0.00 0.00 179.45 175.64 3kip n ASN 43 N -2.47 -4.48 -2.51 0.86 5.15 -0.20 -4.88 115.26 106.73 3kip n ASN 43 Ca 0.03 -1.17 -0.02 0.00 -0.60 0.00 0.00 54.58 52.81 3kip n ASN 43 Cb 0.30 -1.83 0.09 0.00 -0.53 0.00 0.00 39.78 37.81 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 -2.31 -0.66 -3.88 1.20 0.23 -1.26 -4.99 115.26 103.58 3kip n ASN 44 Ca -0.17 -2.15 -0.28 0.00 -0.53 0.00 0.00 54.58 51.46 3kip n ASN 44 Cb 0.60 0.36 0.02 0.00 -2.08 0.00 0.00 39.78 38.68 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 -1.13 -3.21 -4.85 0.53 9.92 -1.26 -5.01 116.55 111.54 3kip n ASP 45 Ca -0.13 -0.83 -0.31 0.00 -0.53 0.00 0.00 54.79 52.99 3kip n ASP 45 Cb 0.85 -3.76 -0.03 0.00 -0.64 0.00 0.00 41.12 37.54 3kip n ASP 45 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 3kip s SER 46 N -3.71 6.57 -0.07 -2.24 0.01 -1.26 -4.84 113.70 108.16 3kip s SER 46 Ca 0.42 1.42 -0.17 0.00 1.31 0.00 0.00 55.95 58.93 3kip s SER 46 Cb -0.21 -2.45 0.04 0.00 0.21 0.00 0.00 66.02 63.61 3kip s SER 46 CO 0.84 -0.54 0.40 -0.70 0.41 0.00 0.00 173.24 173.65 3kip s GLU 47 N -4.05 0.66 -0.17 12.44 2.12 -0.45 -4.46 118.70 124.80 3kip s GLU 47 Ca 0.56 0.14 0.01 0.00 0.36 0.00 0.00 54.97 56.04 3kip s GLU 47 Cb -0.10 0.30 0.02 0.00 0.26 0.00 0.00 34.13 34.61 3kip s GLU 47 CO 0.32 -0.16 -0.18 0.08 -0.54 0.00 0.00 175.26 174.78 3kip s VAL 48 N -0.77 1.90 0.29 3.70 1.01 -1.26 -1.93 120.40 123.34 3kip s VAL 48 Ca -0.08 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 3kip s VAL 48 Cb -0.04 -1.73 -0.07 0.00 0.00 0.00 0.00 36.38 34.54 3kip s VAL 48 CO 0.04 0.51 0.63 -0.76 0.00 0.00 0.00 175.10 175.53 3kip s LEU 49 N 1.34 4.07 -0.03 3.92 1.43 0.17 -4.66 118.68 124.92 3kip s LEU 49 Ca 0.05 1.03 0.03 0.00 -1.03 0.00 0.00 54.13 54.21 3kip s LEU 49 Cb -0.13 -3.83 -0.00 0.00 0.03 0.00 0.00 46.19 42.26 3kip s LEU 49 CO -0.12 -0.17 -0.12 0.68 0.23 0.00 0.00 176.35 176.85 3kip s VAL 50 N -1.98 0.97 0.01 -1.59 -7.23 -1.26 0.65 120.40 109.97 3kip s VAL 50 Ca 0.49 -0.48 -0.03 0.00 -1.81 0.00 0.00 61.98 60.16 3kip s VAL 50 Cb -0.11 -0.84 -0.01 0.00 0.56 0.00 0.00 36.38 35.98 3kip s VAL 50 CO 0.23 0.29 0.04 0.12 -0.31 0.00 0.00 175.10 175.47 3kip s PHE 51 N 0.06 0.14 -0.10 2.82 5.36 0.19 -4.94 117.98 121.52 3kip s PHE 51 Ca -0.02 -0.31 -0.09 0.00 -0.96 0.00 0.00 56.93 55.56 3kip s PHE 51 Cb -0.08 -0.11 0.03 0.00 -0.34 0.00 0.00 43.02 42.51 3kip s PHE 51 CO 0.01 -0.21 0.27 -1.14 -1.46 0.00 0.00 175.22 172.68 3kip s GLN 52 N -1.27 0.29 -0.01 10.12 -0.44 -1.26 -0.84 119.66 126.26 3kip s GLN 52 Ca -0.14 0.41 -0.17 0.00 -2.50 0.00 0.00 55.36 52.97 3kip s GLN 52 Cb -0.08 0.10 0.03 0.00 -1.64 0.00 0.00 33.01 31.41 3kip s GLN 52 CO 0.00 -0.06 0.36 0.45 0.50 0.00 0.00 175.29 176.54 3kip s SER 53 N 0.38 -0.24 0.25 6.67 0.15 -1.11 -5.00 113.70 114.80 3kip s SER 53 Ca -0.02 0.11 0.24 0.00 0.70 0.00 0.00 55.95 56.98 3kip s SER 53 Cb -0.04 0.35 0.40 0.00 -1.71 0.00 0.00 66.02 65.02 3kip s SER 53 CO -0.02 -0.51 1.47 0.78 1.20 0.00 0.00 173.24 176.17 3kip h ASN 54 N 3.61 0.00 -3.59 5.45 2.35 -1.90 -3.08 115.58 118.42 3kip h ASN 54 Ca -0.30 -0.05 -0.62 0.00 -0.55 0.00 0.00 56.30 54.78 3kip h ASN 54 Cb 1.18 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.42 3kip h ASN 54 CO 0.41 0.03 -0.09 -0.89 -1.65 0.00 0.00 177.43 175.24 3kip s THR 55 N -3.20 5.11 0.21 2.81 2.01 -1.26 -4.54 115.64 116.78 3kip s THR 55 Ca 0.06 0.80 -0.13 0.00 0.31 0.00 0.00 61.69 62.74 3kip s THR 55 Cb 0.10 -3.79 0.23 0.00 0.01 0.00 0.00 72.50 69.05 3kip s THR 55 CO 0.69 0.13 1.63 -0.08 -0.69 0.00 0.00 174.62 176.30 3kip h GLU 56 N 7.91 0.03 -0.22 4.92 4.81 -2.01 -1.99 114.58 128.03 3kip h GLU 56 Ca -0.31 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.96 3kip h GLU 56 Cb 1.15 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 3kip h GLU 56 CO 0.70 0.02 0.15 0.78 -0.73 0.00 0.00 179.01 179.93 3kip h GLY 57 N 0.03 0.14 1.50 1.92 0.00 -2.00 -1.96 103.07 102.70 3kip h GLY 57 Ca 0.31 -0.05 -0.27 0.00 0.00 0.00 0.00 47.33 47.33 3kip h GLY 57 CO -0.63 0.04 -1.34 0.74 0.00 0.00 0.00 176.54 175.35 3kip h PHE 58 N 0.12 0.22 -0.51 5.60 -1.00 -1.79 0.60 116.94 120.18 3kip h PHE 58 Ca 0.10 -0.16 -0.09 0.00 2.81 0.00 0.00 57.97 60.63 3kip h PHE 58 Cb 0.24 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 3kip h PHE 58 CO -0.00 1.17 -0.05 0.82 -1.61 0.00 0.00 178.31 178.64 3kip h ILE 59 N 0.03 1.26 -0.27 -0.55 2.04 -1.08 -0.73 117.51 118.21 3kip h ILE 59 Ca -0.16 -1.14 -0.07 0.00 1.00 0.00 0.00 64.86 64.49 3kip h ILE 59 Cb 1.93 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 3kip h ILE 59 CO 0.14 0.40 -0.11 0.40 0.00 0.00 0.00 178.15 178.98 3kip h ILE 60 N 0.82 1.29 -0.78 -0.67 2.04 -1.10 -2.21 117.51 116.90 3kip h ILE 60 Ca 0.14 -1.19 0.06 0.00 1.00 0.00 0.00 64.86 64.88 3kip h ILE 60 Cb 0.56 1.49 -0.06 0.00 -0.74 0.00 0.00 36.82 38.07 3kip h ILE 60 CO 0.03 0.37 0.47 0.44 0.00 0.00 0.00 178.15 179.47 3kip h ASP 61 N 0.30 0.74 0.47 1.72 3.32 -0.65 -0.51 116.42 121.81 3kip h ASP 61 Ca 0.06 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 3kip h ASP 61 Cb 0.62 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3kip h ASP 61 CO 0.04 0.47 -0.42 -0.09 -1.72 0.00 0.00 179.24 177.53 3kip h ARG 62 N 0.87 0.00 -0.07 3.56 9.65 -0.80 -1.47 114.38 126.11 3kip h ARG 62 Ca 0.34 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 59.04 3kip h ARG 62 Cb 0.16 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.76 3kip h ARG 62 CO -0.17 0.42 -0.66 0.82 2.80 0.00 0.00 179.97 183.17 3kip h ILE 63 N 0.00 1.35 -0.67 1.20 2.04 -0.54 0.24 117.51 121.13 3kip h ILE 63 Ca -0.00 -1.98 0.04 0.00 1.00 0.00 0.00 64.86 63.92 3kip h ILE 63 Cb 0.76 2.28 -0.05 0.00 -0.74 0.00 0.00 36.82 39.07 3kip h ILE 63 CO 0.05 0.60 0.40 0.45 0.00 0.00 0.00 178.15 179.65 3kip h HIS 64 N 0.19 0.74 -0.72 1.37 3.86 -0.71 -1.98 115.15 117.90 3kip h HIS 64 Ca -0.06 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.21 3kip h HIS 64 Cb 1.32 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 29.51 3kip h HIS 64 CO 0.11 0.40 0.44 1.49 0.86 0.00 0.00 177.93 181.23 3kip h GLU 65 N 0.77 0.81 -0.70 2.45 4.57 -1.06 -1.99 114.58 119.43 3kip h GLU 65 Ca 0.28 -0.05 0.15 0.00 -1.18 0.00 0.00 59.36 58.56 3kip h GLU 65 Cb 0.08 -0.18 -0.11 0.00 -0.16 0.00 0.00 28.75 28.38 3kip h GLU 65 CO -0.13 0.54 0.11 0.00 -1.18 0.00 0.00 179.01 178.34 3kip h ALA 66 N 1.33 0.83 0.00 2.92 0.00 -0.20 -0.98 119.26 123.16 3kip h ALA 66 Ca 0.30 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.41 3kip h ALA 66 Cb 0.08 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3kip h ALA 66 CO -0.14 -0.37 -0.07 -0.22 0.00 0.00 0.00 179.25 178.46 3kip h LYS 67 N 0.20 -0.12 -0.68 0.00 1.63 -0.96 -1.48 116.57 115.16 3kip h LYS 67 Ca 0.39 0.01 0.19 0.00 -0.85 0.00 0.00 60.65 60.38 3kip h LYS 67 Cb 0.66 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.28 3kip h LYS 67 CO -0.53 -0.08 0.48 0.00 -3.45 0.00 0.00 179.45 175.87 3kip h ARG 68 N -0.12 0.08 0.00 1.90 3.08 -0.89 0.56 114.38 118.98 3kip h ARG 68 Ca 0.03 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3kip h ARG 68 Cb 0.15 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3kip h ARG 68 CO -0.07 0.05 -0.33 1.04 -1.07 0.00 0.00 179.97 179.59 3kip n GLN 69 N -4.37 0.02 -1.11 0.04 6.02 -0.50 -4.91 117.38 112.56 3kip n GLN 69 Ca 0.13 0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 57.11 3kip n GLN 69 Cb 0.70 -1.51 -0.01 0.00 1.02 0.00 0.00 30.24 30.44 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 1.49 0.54 3.67 1.08 0.00 0.19 -4.98 105.19 107.17 3kip n GLY 70 Ca 0.06 -0.97 -0.57 0.00 0.00 0.00 0.00 46.02 44.53 3kip n GLY 70 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kip n VAL 71 N -2.99 0.17 0.35 1.61 0.31 -0.78 -4.76 118.33 112.24 3kip n VAL 71 Ca -0.02 -0.03 0.12 0.00 -0.01 0.00 0.00 64.34 64.39 3kip n VAL 71 Cb 0.10 -0.96 0.06 0.00 -0.91 0.00 0.00 33.84 32.13 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 3.53 -1.39 3.46 2.92 0.00 -0.47 -4.74 105.19 108.50 3kip n GLY 72 Ca 0.24 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.27 -0.56 -0.09 1.61 2.19 -1.22 -4.25 117.98 112.40 3kip s PHE 73 Ca 0.02 0.95 0.03 0.00 0.33 0.00 0.00 56.93 58.26 3kip s PHE 73 Cb 0.12 0.34 0.01 0.00 -1.31 0.00 0.00 43.02 42.18 3kip s PHE 73 CO 0.77 -0.56 -0.18 0.08 1.83 0.00 0.00 175.22 177.16 3kip s VAL 74 N -1.20 1.66 -0.30 3.12 1.01 -0.34 -0.93 120.40 123.43 3kip s VAL 74 Ca -0.11 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.00 3kip s VAL 74 Cb -0.01 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 3kip s VAL 74 CO 0.09 0.47 0.13 -0.69 0.00 0.00 0.00 175.10 175.10 3kip s VAL 75 N 0.61 4.52 -0.03 2.92 1.01 -0.09 -1.23 120.40 128.10 3kip s VAL 75 Ca -0.14 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3kip s VAL 75 Cb -0.16 -3.26 -0.00 0.00 0.00 0.00 0.00 36.38 32.95 3kip s VAL 75 CO 0.04 0.13 -0.13 -0.51 0.00 0.00 0.00 175.10 174.64 3kip s ILE 76 N 1.61 1.07 -0.45 2.22 2.07 -0.51 -1.35 121.20 125.86 3kip s ILE 76 Ca 0.05 -0.52 0.04 0.00 -1.41 0.00 0.00 60.65 58.81 3kip s ILE 76 Cb -0.17 -0.93 0.12 0.00 0.13 0.00 0.00 42.46 41.61 3kip s ILE 76 CO 0.06 0.32 0.19 0.21 -1.91 0.00 0.00 174.94 173.80 3kip s ASN 77 N 0.11 4.37 0.00 4.50 3.84 -0.74 -0.38 114.94 126.64 3kip s ASN 77 Ca -0.03 -2.65 0.18 0.00 0.21 0.00 0.00 52.86 50.56 3kip s ASN 77 Cb -0.10 -1.54 1.05 0.00 -0.55 0.00 0.00 41.25 40.11 3kip s ASN 77 CO 0.01 -0.29 1.66 0.00 -2.79 0.00 0.00 177.10 175.69 3kip n ALA 78 N 3.58 2.58 -0.82 1.71 0.00 -1.26 -0.52 120.51 125.77 3kip n ALA 78 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3kip n ALA 78 Cb 0.36 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.74 2.80 0.32 0.00 0.00 -1.26 -0.29 105.19 107.50 3kip n GLY 79 Ca 0.13 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.82 2.22 0.00 4.61 0.00 -1.93 -1.61 119.26 121.72 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 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kip h ALA 80 CO 0.00 -0.32 -0.00 1.88 0.00 0.00 0.00 179.25 180.81 3kip h TYR 81 N 0.00 0.00 -1.20 0.00 0.05 -1.02 -0.95 116.97 113.85 3kip h TYR 81 Ca 0.12 0.00 0.35 0.00 0.05 0.00 0.00 58.73 59.25 3kip h TYR 81 Cb 0.49 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.14 3kip h TYR 81 CO 0.00 0.00 0.79 1.15 -1.05 0.00 0.00 178.16 179.05 3kip h THR 82 N 0.00 0.34 0.00 -2.88 2.02 -1.26 -0.76 112.91 110.37 3kip h THR 82 Ca -0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3kip h THR 82 Cb 0.19 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 3kip h THR 82 CO 0.00 0.04 -1.33 1.41 0.37 0.00 0.00 175.52 176.01 3kip n HIS 83 N -4.55 0.00 0.00 3.16 8.25 -0.36 -1.01 115.22 120.71 3kip n HIS 83 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 3kip n HIS 83 Cb 1.18 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 32.12 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 -1.75 0.00 -3.41 1.59 -2.24 -1.03 -4.74 114.28 102.70 3kip n THR 84 Ca 0.01 -0.22 -0.44 0.00 -2.27 0.00 0.00 64.05 61.14 3kip n THR 84 Cb 0.41 0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 69.32 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 -1.02 5.99 0.10 3.42 0.15 -0.32 -4.85 113.70 117.17 3kip s SER 85 Ca 0.00 -1.84 0.27 0.00 0.70 0.00 0.00 55.95 55.08 3kip s SER 85 Cb 0.00 -2.13 0.82 0.00 -1.71 0.00 0.00 66.02 63.00 3kip s SER 85 CO 0.00 -0.79 1.69 0.52 1.20 0.00 0.00 173.24 175.86 3kip n VAL 86 N 5.11 0.29 0.14 4.45 0.31 -1.26 -3.47 118.33 123.89 3kip n VAL 86 Ca -0.11 -0.16 -0.25 0.00 -0.01 0.00 0.00 64.34 63.81 3kip n VAL 86 Cb 0.40 -0.36 -0.16 0.00 -0.91 0.00 0.00 33.84 32.81 3kip n VAL 86 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3kip h GLY 87 N 4.73 0.60 1.00 2.92 0.00 -1.97 -1.75 103.07 108.60 3kip h GLY 87 Ca 0.00 -1.53 0.01 0.00 0.00 0.00 0.00 47.33 45.81 3kip h GLY 87 CO 0.00 1.34 0.50 -2.22 0.00 0.00 0.00 176.54 176.16 3kip h ILE 88 N 0.14 1.19 -0.52 2.60 2.04 -1.92 -1.45 117.51 119.58 3kip h ILE 88 Ca -0.27 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 3kip h ILE 88 Cb 2.16 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3kip h ILE 88 CO 0.26 0.19 0.23 -0.09 0.00 0.00 0.00 178.15 178.74 3kip h ARG 89 N 1.01 0.77 -0.01 2.37 2.43 -1.56 -2.21 114.38 117.19 3kip h ARG 89 Ca 0.28 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 3kip h ARG 89 Cb -0.11 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 3kip h ARG 89 CO -0.06 0.66 -0.39 -0.44 -1.51 0.00 0.00 179.97 178.22 3kip h ASP 90 N 0.70 0.01 -0.25 -3.80 5.19 -1.17 -1.17 116.42 115.93 3kip h ASP 90 Ca 0.18 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.55 3kip h ASP 90 Cb 0.16 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 3kip h ASP 90 CO -0.02 0.40 0.05 0.00 -3.12 0.00 0.00 179.24 176.55 3kip h ALA 91 N 1.60 0.34 -0.49 3.45 0.00 -0.75 0.77 119.26 124.17 3kip h ALA 91 Ca -0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 3kip h ALA 91 Cb 0.70 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3kip h ALA 91 CO 0.05 0.01 -0.19 -0.07 0.00 0.00 0.00 179.25 179.06 3kip h LEU 92 N 0.23 1.01 -0.67 0.00 3.38 -1.06 -1.32 115.31 116.88 3kip h LEU 92 Ca 0.08 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 3kip h LEU 92 Cb 0.31 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3kip h LEU 92 CO 0.00 1.17 -0.01 -0.07 0.09 0.00 0.00 178.44 179.63 3kip h LEU 93 N 0.85 1.00 -0.58 1.67 3.38 -1.22 0.55 115.31 120.97 3kip h LEU 93 Ca 0.12 -0.28 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 3kip h LEU 93 Cb 0.76 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3kip h LEU 93 CO 0.06 1.06 -0.35 1.23 0.09 0.00 0.00 178.44 180.53 3kip h GLY 94 N 0.99 0.82 1.59 0.83 0.00 -0.60 -1.80 103.07 104.90 3kip h GLY 94 Ca 0.17 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.71 3kip h GLY 94 CO 0.03 0.71 -0.22 -1.30 0.00 0.00 0.00 176.54 175.76 3kip n THR 95 N -4.06 0.10 -3.67 4.70 -2.24 -0.52 -4.95 114.28 103.64 3kip n THR 95 Ca -0.01 -0.06 -0.27 0.00 -2.27 0.00 0.00 64.05 61.44 3kip n THR 95 Cb 0.50 -0.23 0.04 0.00 -2.10 0.00 0.00 70.33 68.54 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 -1.57 -1.23 -2.71 6.98 0.00 0.14 -4.98 120.51 117.15 3kip n ALA 96 Ca 0.06 0.26 -0.37 0.00 0.00 0.00 0.00 53.44 53.39 3kip n ALA 96 Cb 0.36 -4.58 -0.07 0.00 0.00 0.00 0.00 19.45 15.16 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 -3.26 5.25 0.59 0.00 1.01 -0.92 -5.04 121.20 118.84 3kip s ILE 97 Ca 0.58 0.70 -0.15 0.00 0.00 0.00 0.00 60.65 61.78 3kip s ILE 97 Cb -0.28 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 3kip s ILE 97 CO 0.72 0.39 1.04 -2.16 0.00 0.00 0.00 174.94 174.93 3kip s PRO 98 N 0.34 3.42 0.14 2.79 0.04 -1.26 -4.80 135.00 135.67 3kip s PRO 98 Ca 0.20 1.08 -0.05 0.00 0.04 0.00 0.00 61.00 62.27 3kip s PRO 98 Cb -0.14 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 3kip s PRO 98 CO 0.07 -0.72 0.17 -0.59 0.04 0.00 0.00 177.00 175.97 3kip s PHE 99 N -2.64 0.60 -0.02 0.56 -0.71 -1.26 -1.19 117.98 113.32 3kip s PHE 99 Ca 0.61 -0.98 0.05 0.00 -1.04 0.00 0.00 56.93 55.57 3kip s PHE 99 Cb -0.14 -0.26 -0.01 0.00 -1.21 0.00 0.00 43.02 41.41 3kip s PHE 99 CO 0.40 -0.61 -0.15 0.42 -1.34 0.00 0.00 175.22 173.93 3kip s ILE 100 N -4.00 1.24 -0.23 -4.49 1.01 -0.37 -0.51 121.20 113.86 3kip s ILE 100 Ca 0.20 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 60.06 3kip s ILE 100 Cb 0.05 -1.05 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 3kip s ILE 100 CO 0.00 0.36 0.26 -0.70 0.00 0.00 0.00 174.94 174.85 3kip s GLU 101 N -0.24 4.10 -0.07 2.79 2.12 -0.59 -1.42 118.70 125.39 3kip s GLU 101 Ca 0.03 -0.08 0.03 0.00 0.36 0.00 0.00 54.97 55.31 3kip s GLU 101 Cb -0.07 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 3kip s GLU 101 CO 0.00 0.01 -0.17 0.08 -0.54 0.00 0.00 175.26 174.64 3kip s VAL 102 N 1.21 2.80 -0.07 3.70 1.01 0.49 -1.37 120.40 128.17 3kip s VAL 102 Ca 0.12 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.33 3kip s VAL 102 Cb -0.14 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.15 3kip s VAL 102 CO 0.06 0.57 -0.15 -1.00 0.00 0.00 0.00 175.10 174.58 3kip s HIS 103 N -0.33 1.67 0.07 5.22 3.76 0.96 -4.26 115.29 122.40 3kip s HIS 103 Ca 0.02 -0.61 -0.25 0.00 -0.15 0.00 0.00 55.06 54.08 3kip s HIS 103 Cb -0.13 -1.18 -0.16 0.00 1.11 0.00 0.00 32.58 32.22 3kip s HIS 103 CO 0.02 -0.28 1.67 0.82 -0.85 0.00 0.00 174.74 176.12 3kip h ILE 104 N 5.79 0.93 -2.17 0.60 2.04 -1.85 -0.86 117.51 121.98 3kip h ILE 104 Ca -0.29 -0.12 -0.45 0.00 1.00 0.00 0.00 64.86 65.00 3kip h ILE 104 Cb 1.19 1.01 0.01 0.00 -0.74 0.00 0.00 36.82 38.29 3kip h ILE 104 CO 0.47 0.03 -0.28 0.42 0.00 0.00 0.00 178.15 178.79 3kip s THR 105 N -5.95 4.32 -0.75 -0.27 -4.23 -1.26 -2.14 115.64 105.36 3kip s THR 105 Ca -0.14 -0.83 -0.26 0.00 -1.18 0.00 0.00 61.69 59.28 3kip s THR 105 Cb 0.05 -3.53 0.01 0.00 1.34 0.00 0.00 72.50 70.37 3kip s THR 105 CO 0.65 -0.26 1.57 0.21 -0.54 0.00 0.00 174.62 176.25 3kip s ASN 106 N -4.14 5.80 0.52 3.99 2.47 -1.26 -3.14 114.94 119.17 3kip s ASN 106 Ca 0.44 -0.33 0.32 0.00 0.42 0.00 0.00 52.86 53.70 3kip s ASN 106 Cb -0.10 -2.55 1.45 0.00 -1.45 0.00 0.00 41.25 38.60 3kip s ASN 106 CO 0.33 -2.07 1.84 0.58 -3.72 0.00 0.00 177.10 174.05 3kip h VAL 107 N 6.54 0.49 0.00 -5.21 2.07 -1.92 -1.28 116.25 116.95 3kip h VAL 107 Ca -0.17 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3kip h VAL 107 Cb 1.08 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3kip h VAL 107 CO 1.27 0.01 0.00 1.41 0.02 0.00 0.00 177.57 180.28 3kip n HIS 108 N -4.28 0.00 1.04 1.57 8.25 -1.26 -1.16 115.22 119.37 3kip n HIS 108 Ca 0.23 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.80 3kip n HIS 108 Cb 1.07 -0.16 0.13 0.00 1.12 0.00 0.00 29.99 32.14 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 -1.16 0.24 -0.68 -0.41 6.02 -0.48 -4.95 117.38 115.96 3kip n GLN 109 Ca 0.10 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 3kip n GLN 109 Cb 0.10 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.86 3kip n GLN 109 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3kip n ARG 110 N -1.23 2.01 -1.65 -1.09 1.74 -0.31 -5.03 116.66 111.09 3kip n ARG 110 Ca 0.06 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.70 3kip n ARG 110 Cb 0.35 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 0.39 -1.52 0.00 0.00 177.63 176.50 3kip n GLU 111 N -0.48 1.83 -0.39 5.56 4.71 -1.26 -4.83 120.64 125.78 3kip n GLU 111 Ca 0.00 0.65 0.35 0.00 -0.01 0.00 0.00 57.16 58.15 3kip n GLU 111 Cb 0.00 -2.19 0.70 0.00 -1.01 0.00 0.00 31.44 28.94 3kip n GLU 111 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 3kip h PRO 112 N 2.96 0.09 0.00 3.49 0.13 -1.95 0.28 132.00 137.00 3kip h PRO 112 Ca -0.44 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 3kip h PRO 112 Cb 1.30 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 3kip h PRO 112 CO 0.66 0.06 -0.07 0.27 -0.23 0.00 0.00 178.00 178.70 3kip h PHE 113 N 0.10 0.00 -0.00 1.56 -5.15 -1.97 -1.40 116.94 110.08 3kip h PHE 113 Ca 0.65 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.42 3kip h PHE 113 Cb 2.33 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.50 3kip h PHE 113 CO -0.00 0.07 -0.02 0.54 -2.00 0.00 0.00 178.31 176.89 3kip n ARG 114 N -3.96 0.58 0.07 6.09 1.74 0.99 -3.19 116.66 118.98 3kip n ARG 114 Ca -0.03 -0.06 -0.07 0.00 -0.77 0.00 0.00 57.85 56.93 3kip n ARG 114 Cb 0.16 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.18 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 0.14 0.40 -3.57 -1.55 3.86 -1.34 -3.44 115.15 109.65 3kip h HIS 115 Ca 0.00 -0.16 -0.52 0.00 -1.16 0.00 0.00 60.37 58.53 3kip h HIS 115 Cb 0.26 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 3kip h HIS 115 CO 0.00 0.87 0.27 1.14 0.86 0.00 0.00 177.93 181.07 3kip s GLN 116 N -3.70 4.66 -0.00 2.45 0.00 -1.19 -5.05 119.66 116.82 3kip s GLN 116 Ca -0.05 1.31 0.04 0.00 -0.00 0.00 0.00 55.36 56.66 3kip s GLN 116 Cb 0.11 -3.33 -0.01 0.00 0.00 0.00 0.00 33.01 29.79 3kip s GLN 116 CO 0.81 0.37 -0.11 0.45 0.00 0.00 0.00 175.29 176.81 3kip s SER 117 N -0.52 1.33 0.00 12.60 0.15 -1.26 -4.47 113.70 121.53 3kip s SER 117 Ca 0.41 -0.23 0.16 0.00 0.70 0.00 0.00 55.95 56.99 3kip s SER 117 Cb -0.23 -0.14 0.60 0.00 -1.71 0.00 0.00 66.02 64.54 3kip s SER 117 CO 0.28 0.12 1.44 -1.22 1.20 0.00 0.00 173.24 175.06 3kip n TYR 118 N 2.68 0.26 -0.08 3.44 4.01 -0.18 -4.31 117.16 122.99 3kip n TYR 118 Ca -0.14 -0.13 -0.11 0.00 -0.16 0.00 0.00 57.90 57.36 3kip n TYR 118 Cb 0.56 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.50 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 0.24 2.19 -0.34 7.72 4.77 -1.26 -4.70 117.00 125.62 3kip n LEU 119 Ca 0.14 -0.07 0.04 0.00 -0.03 0.00 0.00 56.01 56.09 3kip n LEU 119 Cb 0.28 -0.37 0.19 0.00 -2.33 0.00 0.00 43.42 41.19 3kip n LEU 119 CO 0.10 0.68 1.21 0.28 -1.33 0.00 0.00 177.39 178.33 3kip h SER 120 N 0.00 0.86 0.60 -1.43 0.02 -1.95 0.50 113.55 112.15 3kip h SER 120 Ca -0.39 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3kip h SER 120 Cb 1.68 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.08 3kip h SER 120 CO -0.04 0.50 0.00 -0.90 -1.14 0.00 0.00 176.83 175.25 3kip n ASP 121 N -4.64 0.00 -0.02 3.07 5.75 -1.26 -2.66 116.55 116.78 3kip n ASP 121 Ca 0.16 0.37 0.01 0.00 -0.01 0.00 0.00 54.79 55.32 3kip n ASP 121 Cb 0.28 -0.44 -0.01 0.00 -1.03 0.00 0.00 41.12 39.92 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 -1.44 4.74 -1.60 0.11 4.76 0.15 -5.02 118.16 119.85 3kip n LYS 122 Ca 0.06 -0.14 -0.32 0.00 -2.87 0.00 0.00 58.31 55.04 3kip n LYS 122 Cb 0.21 -0.71 0.06 0.00 -1.84 0.00 0.00 35.03 32.75 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 -1.03 2.42 0.04 7.82 0.00 0.47 -4.82 121.76 126.66 3kip s ALA 123 Ca 0.01 0.43 -0.26 0.00 0.00 0.00 0.00 51.96 52.15 3kip s ALA 123 Cb 0.02 -3.29 -0.17 0.00 0.00 0.00 0.00 23.12 19.68 3kip s ALA 123 CO 0.09 -1.41 1.44 0.28 0.00 0.00 0.00 175.76 176.15 3kip h VAL 124 N -0.36 0.79 -4.23 0.00 2.07 -1.13 -3.48 116.25 109.92 3kip h VAL 124 Ca -0.46 -0.41 -0.14 0.00 0.82 0.00 0.00 66.70 66.51 3kip h VAL 124 Cb 1.24 1.02 -0.15 0.00 -1.52 0.00 0.00 31.29 31.89 3kip h VAL 124 CO 0.53 0.09 -0.59 0.00 0.02 0.00 0.00 177.57 177.62 3kip s ALA 125 N -5.31 0.52 -0.05 1.67 0.00 -1.25 -5.07 121.76 112.27 3kip s ALA 125 Ca -0.15 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 50.58 3kip s ALA 125 Cb 0.03 0.62 0.03 0.00 0.00 0.00 0.00 23.12 23.80 3kip s ALA 125 CO 0.60 -0.47 0.01 0.08 0.00 0.00 0.00 175.76 175.99 3kip s VAL 126 N -3.97 0.21 -0.23 0.00 1.01 -1.26 -1.54 120.40 114.61 3kip s VAL 126 Ca 0.15 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.31 3kip s VAL 126 Cb 0.07 -0.36 0.04 0.00 0.00 0.00 0.00 36.38 36.13 3kip s VAL 126 CO -0.04 0.20 -0.12 -0.63 0.00 0.00 0.00 175.10 174.51 3kip s ILE 127 N 1.65 2.36 -0.03 2.22 1.01 -0.47 -4.99 121.20 122.94 3kip s ILE 127 Ca -0.01 -1.21 -0.00 0.00 0.00 0.00 0.00 60.65 59.43 3kip s ILE 127 Cb -0.13 -2.20 0.03 0.00 0.01 0.00 0.00 42.46 40.18 3kip s ILE 127 CO -0.03 0.23 0.02 0.00 0.00 0.00 0.00 174.94 175.16 3kip n GLY 129 N 4.34 1.16 1.14 0.00 0.00 -0.33 -4.62 105.19 106.88 3kip n GLY 129 Ca -0.24 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.85 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 3.31 0.00 0.99 7.94 -1.22 -4.66 117.00 123.36 3kip n LEU 130 Ca 0.00 -1.67 0.00 0.00 -1.11 0.00 0.00 56.01 53.23 3kip n LEU 130 Cb 0.00 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 43.50 3kip n LEU 130 CO 0.00 0.60 0.00 0.61 -1.11 0.00 0.00 177.39 177.49 3kip n GLY 131 N 0.94 0.92 0.30 -3.96 0.00 -0.91 -3.18 105.19 99.29 3kip n GLY 131 Ca 0.18 -0.73 0.18 0.00 0.00 0.00 0.00 46.02 45.65 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 0.09 0.00 1.61 -1.51 -1.95 -0.78 116.25 113.70 3kip h VAL 132 Ca 0.00 -0.36 -0.00 0.00 -1.23 0.00 0.00 66.70 65.10 3kip h VAL 132 Cb 0.00 1.33 -0.00 0.00 -2.13 0.00 0.00 31.29 30.49 3kip h VAL 132 CO 0.00 0.02 -0.02 0.22 -1.23 0.00 0.00 177.57 176.56 3kip h TYR 133 N 0.00 0.00 -0.91 5.19 3.20 -1.97 0.25 116.97 122.73 3kip h TYR 133 Ca -0.00 0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.07 3kip h TYR 133 Cb 0.33 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 38.43 3kip h TYR 133 CO 0.00 0.02 -0.15 0.78 -1.64 0.00 0.00 178.16 177.17 3kip h GLY 134 N 1.80 0.80 0.95 1.82 0.00 -1.09 0.18 103.07 107.51 3kip h GLY 134 Ca -0.00 0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.50 3kip h GLY 134 CO 0.00 -0.38 -0.12 -0.97 0.00 0.00 0.00 176.54 175.08 3kip h TYR 135 N 0.01 0.79 -0.12 5.60 0.05 -1.13 -1.51 116.97 120.66 3kip h TYR 135 Ca 0.47 -0.18 0.03 0.00 0.05 0.00 0.00 58.73 59.10 3kip h TYR 135 Cb 0.79 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.31 3kip h TYR 135 CO -0.64 0.87 -0.08 1.15 -1.05 0.00 0.00 178.16 178.41 3kip h THR 136 N 0.48 0.75 -0.81 -2.88 2.02 -0.88 -0.43 112.91 111.15 3kip h THR 136 Ca 0.08 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 3kip h THR 136 Cb 0.64 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 3kip h THR 136 CO 0.04 0.00 0.38 0.00 0.37 0.00 0.00 175.52 176.31 3kip h ALA 137 N 1.01 1.13 -0.34 6.16 0.00 -0.74 0.49 119.26 126.97 3kip h ALA 137 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kip h ALA 137 Cb 0.20 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3kip h ALA 137 CO -0.17 0.65 0.21 0.00 0.00 0.00 0.00 179.25 179.94 3kip h ALA 138 N 1.25 0.43 -0.51 0.00 0.00 -0.85 -2.12 119.26 117.47 3kip h ALA 138 Ca 0.28 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3kip h ALA 138 Cb 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3kip h ALA 138 CO -0.03 -0.08 0.11 0.82 0.00 0.00 0.00 179.25 180.07 3kip h ILE 139 N 0.45 1.22 -0.53 0.00 2.04 -0.52 -0.11 117.51 120.06 3kip h ILE 139 Ca 0.12 -0.80 0.03 0.00 1.00 0.00 0.00 64.86 65.21 3kip h ILE 139 Cb -0.02 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 3kip h ILE 139 CO -0.02 0.29 0.31 -0.33 0.00 0.00 0.00 178.15 178.40 3kip h GLU 140 N 0.75 0.60 -0.27 2.37 4.39 -0.61 -2.02 114.58 119.79 3kip h GLU 140 Ca 0.17 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.74 3kip h GLU 140 Cb 0.29 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3kip h GLU 140 CO -0.00 0.40 -0.17 -0.92 -1.16 0.00 0.00 179.01 177.16 3kip h TYR 141 N 0.62 0.68 -0.51 4.33 5.03 -0.68 -2.65 116.97 123.79 3kip h TYR 141 Ca 0.22 -0.18 0.10 0.00 2.58 0.00 0.00 58.73 61.45 3kip h TYR 141 Cb 0.04 -0.15 -0.09 0.00 1.55 0.00 0.00 36.73 38.08 3kip h TYR 141 CO -0.07 0.85 -0.04 0.00 -1.32 0.00 0.00 178.16 177.59 3kip h ALA 142 N 0.72 0.45 0.00 1.82 0.00 -0.93 -1.63 119.26 119.68 3kip h ALA 142 Ca 0.05 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3kip h ALA 142 Cb 0.69 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3kip h ALA 142 CO 0.05 -0.41 -0.09 -0.07 0.00 0.00 0.00 179.25 178.73 3kip h LEU 143 N 0.08 0.00 -2.82 0.00 3.38 -1.23 -2.41 115.31 112.32 3kip h LEU 143 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3kip h LEU 143 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3kip h LEU 143 CO -0.46 0.09 0.00 0.59 0.09 0.00 0.00 178.44 178.75 3kip n ASN 144 N -3.20 4.19 -4.75 -0.43 4.13 -0.68 -4.24 115.26 110.28 3kip n ASN 144 Ca 0.01 -2.15 -0.39 0.00 1.68 0.00 0.00 54.58 53.73 3kip n ASN 144 Cb 0.39 -0.52 -0.05 0.00 -1.54 0.00 0.00 39.78 38.06 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 -1.30 3.70 0.12 3.10 5.04 -0.78 -4.91 117.35 122.31 3kip s TYR 145 Ca 0.50 1.36 -0.31 0.00 -2.44 0.00 0.00 57.07 56.17 3kip s TYR 145 Cb 0.28 -2.75 -0.08 0.00 0.35 0.00 0.00 41.96 39.76 3kip s TYR 145 CO 0.30 0.28 1.47 -0.65 -1.34 0.00 0.00 175.55 175.62 3kip s GLN 146 N -0.00 4.27 0.00 4.97 -0.21 -1.26 -2.00 119.66 125.43 3kip s GLN 146 Ca 0.36 2.18 0.00 0.00 0.02 0.00 0.00 55.36 57.92 3kip s GLN 146 Cb -0.19 -3.28 0.00 0.00 1.00 0.00 0.00 33.01 30.53 3kip s GLN 146 CO 0.20 -0.53 0.00 1.28 -2.12 0.00 0.00 175.29 174.12