#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 4.80 -0.13 4.08 1.01 -0.94 -4.87 120.40 124.35 3kip s VAL 1 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.01 3kip s VAL 1 Cb 0.00 -3.10 -0.13 0.00 0.00 0.00 0.00 36.38 33.15 3kip s VAL 1 CO 0.00 0.55 -0.02 2.29 0.00 0.00 0.00 175.10 177.91 3kip n LYS 2 N 2.71 1.42 -3.92 2.72 2.85 -1.26 -4.74 118.16 117.94 3kip n LYS 2 Ca -0.18 0.03 -0.35 0.00 -1.05 0.00 0.00 58.31 56.76 3kip n LYS 2 Cb 0.53 -1.31 -0.14 0.00 -0.65 0.00 0.00 35.03 33.46 3kip n LYS 2 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3kip s LYS 3 N -2.30 2.61 -0.07 -1.58 2.47 -1.26 0.46 119.74 120.07 3kip s LYS 3 Ca -0.11 -1.14 0.04 0.00 -1.56 0.00 0.00 55.97 53.20 3kip s LYS 3 Cb 0.04 -3.13 -0.02 0.00 -1.46 0.00 0.00 37.83 33.27 3kip s LYS 3 CO 0.45 -0.53 -0.20 0.08 0.16 0.00 0.00 175.35 175.30 3kip s VAL 4 N 1.29 2.49 -0.24 4.02 1.01 -0.29 -0.50 120.40 128.18 3kip s VAL 4 Ca -0.03 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 3kip s VAL 4 Cb -0.19 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3kip s VAL 4 CO -0.02 0.57 0.08 -0.22 0.00 0.00 0.00 175.10 175.51 3kip s LEU 5 N -0.22 3.57 -0.37 3.92 2.96 -0.69 0.43 118.68 128.28 3kip s LEU 5 Ca -0.01 -0.14 -0.21 0.00 -0.22 0.00 0.00 54.13 53.55 3kip s LEU 5 Cb -0.13 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.61 3kip s LEU 5 CO 0.03 -0.00 0.66 -0.22 -1.32 0.00 0.00 176.35 175.50 3kip s LEU 6 N 1.44 4.27 -0.13 -0.68 2.96 0.11 -0.14 118.68 126.51 3kip s LEU 6 Ca 0.06 0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 54.04 3kip s LEU 6 Cb -0.15 -2.81 -0.03 0.00 0.50 0.00 0.00 46.19 43.71 3kip s LEU 6 CO 0.04 -0.64 -0.06 -0.63 -1.32 0.00 0.00 176.35 173.74 3kip s ILE 7 N 2.78 3.73 -0.06 6.68 1.01 -0.14 -0.85 121.20 134.35 3kip s ILE 7 Ca 0.25 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.52 3kip s ILE 7 Cb -0.14 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 3kip s ILE 7 CO 0.16 0.53 -0.23 0.20 0.00 0.00 0.00 174.94 175.60 3kip s ASN 8 N 0.06 3.27 0.00 3.58 -0.87 -0.08 -1.44 114.94 119.46 3kip s ASN 8 Ca -0.01 -0.45 0.00 0.00 -1.57 0.00 0.00 52.86 50.83 3kip s ASN 8 Cb -0.14 -0.88 0.00 0.00 -0.02 0.00 0.00 41.25 40.22 3kip s ASN 8 CO 0.03 0.26 0.00 0.61 -2.57 0.00 0.00 177.10 175.43 3kip n GLY 9 N 2.88 0.56 3.76 0.66 0.00 0.21 -2.51 105.19 110.76 3kip n GLY 9 Ca -0.17 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 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 0.98 3.07 0.00 1.61 0.04 -1.11 -3.13 135.00 136.46 3kip s PRO 10 Ca 0.00 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.70 3kip s PRO 10 Cb 0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 3kip s PRO 10 CO 0.00 -1.09 0.00 0.09 0.04 0.00 0.00 177.00 176.04 3kip n ASN 11 N -1.66 0.00 0.29 6.66 3.02 -1.26 -4.54 115.26 117.77 3kip n ASN 11 Ca 0.12 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.83 3kip n ASN 11 Cb 0.51 -0.07 0.85 0.00 -0.61 0.00 0.00 39.78 40.45 3kip n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3kip h LEU 12 N 0.00 0.00 0.00 3.41 3.38 -1.91 0.38 115.31 120.57 3kip h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kip h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kip h LEU 12 CO 0.00 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.07 3kip n ASN 13 N -2.75 0.00 -1.07 -0.43 6.94 -1.26 -2.96 115.26 113.72 3kip n ASN 13 Ca -0.02 -0.38 0.12 0.00 -0.02 0.00 0.00 54.58 54.27 3kip n ASN 13 Cb 0.24 -0.12 0.24 0.00 -2.36 0.00 0.00 39.78 37.79 3kip n ASN 13 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3kip n LEU 14 N -1.12 3.19 -4.84 -4.53 4.77 0.13 -4.79 117.00 109.82 3kip n LEU 14 Ca 0.13 -1.37 -0.33 0.00 -0.03 0.00 0.00 56.01 54.41 3kip n LEU 14 Cb 0.11 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 3kip n LEU 14 CO 0.13 0.69 0.47 -1.48 -1.33 0.00 0.00 177.39 175.86 3kip s LEU 15 N -1.49 4.04 -0.56 2.23 2.34 -1.16 -0.15 118.68 123.93 3kip s LEU 15 Ca 0.38 1.37 -0.05 0.00 0.06 0.00 0.00 54.13 55.88 3kip s LEU 15 Cb 0.22 -4.18 0.14 0.00 -0.56 0.00 0.00 46.19 41.82 3kip s LEU 15 CO 0.31 -0.24 0.39 -0.83 -1.06 0.00 0.00 176.35 174.92 3kip s GLY 16 N -2.26 2.30 0.00 -3.48 0.00 -1.11 -3.80 107.32 98.97 3kip s GLY 16 Ca 0.56 -2.95 0.25 0.00 0.00 0.00 0.00 44.72 42.58 3kip s GLY 16 CO 0.16 1.10 1.47 2.41 0.00 0.00 0.00 173.10 178.24 3kip n THR 17 N 4.07 0.08 -0.01 0.90 -1.04 0.79 -4.56 114.28 114.51 3kip n THR 17 Ca 0.03 -0.43 -0.02 0.00 -2.04 0.00 0.00 64.05 61.59 3kip n THR 17 Cb 0.40 1.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.90 3kip n THR 17 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3kip n ARG 18 N 0.87 0.04 -0.04 -2.82 0.63 -1.26 -5.18 116.66 108.90 3kip n ARG 18 Ca 0.17 0.01 0.04 0.00 -0.92 0.00 0.00 57.85 57.15 3kip n ARG 18 Cb 0.49 -0.79 0.06 0.00 0.45 0.00 0.00 32.46 32.67 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 -2.83 0.10 -4.92 -0.14 9.36 -1.26 -5.04 117.16 112.44 3kip n TYR 23 Ca -0.03 -0.15 -0.27 0.00 3.32 0.00 0.00 57.90 60.77 3kip n TYR 23 Cb 0.53 -0.01 -0.16 0.00 -0.63 0.00 0.00 39.34 39.07 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 -0.76 0.98 0.00 2.98 0.00 -1.26 -4.98 107.32 104.28 3kip s GLY 24 Ca 0.11 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.07 3kip s GLY 24 CO 0.10 -0.45 0.00 -1.30 0.00 0.00 0.00 173.10 171.45 3kip n THR 25 N 3.04 0.00 -2.22 0.90 -2.24 -1.26 -4.52 114.28 107.97 3kip n THR 25 Ca -0.18 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 3kip n THR 25 Cb 0.53 -0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 68.08 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 -0.41 3.73 0.76 4.28 2.01 -1.26 -4.46 115.64 120.29 3kip s THR 26 Ca 0.00 0.73 -0.09 0.00 0.31 0.00 0.00 61.69 62.64 3kip s THR 26 Cb 0.00 -4.02 0.08 0.00 0.01 0.00 0.00 72.50 68.58 3kip s THR 26 CO 0.00 -0.67 1.10 -0.94 -0.69 0.00 0.00 174.62 173.41 3kip s SER 27 N 4.84 4.53 0.09 3.53 1.04 -1.26 -2.75 113.70 123.72 3kip s SER 27 Ca 0.67 0.50 -0.16 0.00 0.48 0.00 0.00 55.95 57.45 3kip s SER 27 Cb -0.16 -1.03 -0.10 0.00 0.10 0.00 0.00 66.02 64.82 3kip s SER 27 CO 0.32 -1.82 1.39 0.25 0.98 0.00 0.00 173.24 174.36 3kip h LEU 28 N -0.84 0.70 -0.44 2.42 5.85 -1.82 -2.85 115.31 118.33 3kip h LEU 28 Ca -0.45 -0.49 0.09 0.00 0.84 0.00 0.00 57.88 57.87 3kip h LEU 28 Cb 1.31 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 42.05 3kip h LEU 28 CO 0.59 1.05 -0.16 -1.28 -0.34 0.00 0.00 178.44 178.30 3kip h SER 29 N 0.36 -0.55 -0.74 1.25 0.87 -1.94 -0.03 113.55 112.77 3kip h SER 29 Ca 0.03 0.15 0.16 0.00 -1.23 0.00 0.00 61.79 60.91 3kip h SER 29 Cb 0.87 0.33 -0.13 0.00 -0.44 0.00 0.00 62.40 63.03 3kip h SER 29 CO 0.07 -0.19 0.00 0.44 -0.53 0.00 0.00 176.83 176.62 3kip h ASP 30 N -0.06 -0.34 -0.37 6.23 3.32 -1.89 0.22 116.42 123.53 3kip h ASP 30 Ca 0.21 0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.37 3kip h ASP 30 Cb 0.39 0.33 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3kip h ASP 30 CO -0.48 -0.17 -0.09 0.40 -1.72 0.00 0.00 179.24 177.18 3kip h ILE 31 N 0.10 1.28 -0.19 0.35 2.04 -1.23 -1.22 117.51 118.65 3kip h ILE 31 Ca 0.40 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 3kip h ILE 31 Cb 0.69 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 3kip h ILE 31 CO -0.65 0.38 0.08 -0.33 0.00 0.00 0.00 178.15 177.64 3kip h GLU 32 N 0.51 0.28 -0.20 2.37 5.08 0.56 -2.30 114.58 120.87 3kip h GLU 32 Ca 0.09 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3kip h GLU 32 Cb 0.60 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3kip h GLU 32 CO 0.04 0.33 0.10 1.96 -1.00 0.00 0.00 179.01 180.44 3kip h GLN 33 N 0.16 0.29 -0.94 2.33 1.08 -0.57 -1.05 115.11 116.41 3kip h GLN 33 Ca 0.06 -0.04 0.22 0.00 -1.45 0.00 0.00 58.65 57.45 3kip h GLN 33 Cb 0.15 -0.05 -0.12 0.00 -0.05 0.00 0.00 27.48 27.41 3kip h GLN 33 CO -0.01 0.29 0.48 0.00 -0.95 0.00 0.00 178.83 178.65 3kip h ALA 34 N 0.98 1.57 0.15 3.87 0.00 -1.13 0.33 119.26 125.03 3kip h ALA 34 Ca 0.07 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3kip h ALA 34 Cb 0.09 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kip h ALA 34 CO -0.01 -0.28 -0.07 0.00 0.00 0.00 0.00 179.25 178.89 3kip h ALA 35 N 1.70 -0.20 -0.86 0.00 0.00 -0.84 0.21 119.26 119.27 3kip h ALA 35 Ca 0.59 -0.22 0.26 0.00 0.00 0.00 0.00 54.91 55.54 3kip h ALA 35 Cb 1.09 0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.80 3kip h ALA 35 CO -0.49 -0.26 0.11 -0.89 0.00 0.00 0.00 179.25 177.72 3kip n ILE 36 N -4.90 -0.36 -0.01 0.00 5.41 -0.45 -2.62 119.36 116.43 3kip n ILE 36 Ca -0.07 1.87 -0.17 0.00 1.00 0.00 0.00 62.75 65.38 3kip n ILE 36 Cb 0.25 -2.79 -0.09 0.00 -0.71 0.00 0.00 39.64 36.30 3kip n ILE 36 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3kip h GLU 37 N 0.00 0.58 -0.64 0.38 4.39 0.14 -2.83 114.58 116.61 3kip h GLU 37 Ca 0.57 -0.51 0.13 0.00 0.34 0.00 0.00 59.36 59.89 3kip h GLU 37 Cb 1.25 0.12 -0.11 0.00 -0.10 0.00 0.00 28.75 29.91 3kip h GLU 37 CO -0.78 1.14 -0.05 0.37 -1.16 0.00 0.00 179.01 178.52 3kip h GLN 38 N 0.20 0.07 -0.19 2.33 4.15 -0.34 -1.32 115.11 120.00 3kip h GLN 38 Ca -0.06 -0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.22 3kip h GLN 38 Cb 1.29 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.96 3kip h GLN 38 CO 0.13 0.05 -0.49 0.00 -1.93 0.00 0.00 178.83 176.59 3kip h ALA 39 N 1.60 0.81 -0.52 3.38 0.00 -1.49 -3.22 119.26 119.81 3kip h ALA 39 Ca 0.33 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3kip h ALA 39 Cb 0.53 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3kip h ALA 39 CO -0.59 0.67 0.07 0.87 0.00 0.00 0.00 179.25 180.27 3kip h LYS 40 N 0.40 0.87 0.00 0.00 1.57 -1.15 -2.21 116.57 116.05 3kip h LYS 40 Ca 0.02 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3kip h LYS 40 Cb 1.00 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3kip h LYS 40 CO 0.09 0.86 0.00 -0.11 -0.57 0.00 0.00 179.45 179.72 3kip n LEU 41 N -4.38 0.00 0.05 2.94 7.94 -0.56 -0.62 117.00 122.38 3kip n LEU 41 Ca 0.02 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.04 3kip n LEU 41 Cb 0.27 0.00 0.26 0.00 0.53 0.00 0.00 43.42 44.48 3kip n LEU 41 CO 0.41 0.00 0.51 0.29 -1.11 0.00 0.00 177.39 177.49 3kip n LYS 42 N -0.87 0.22 -3.66 1.96 4.76 -0.83 -4.97 118.16 114.77 3kip n LYS 42 Ca 0.11 0.09 -0.22 0.00 -2.87 0.00 0.00 58.31 55.42 3kip n LYS 42 Cb 0.05 -1.66 0.04 0.00 -1.84 0.00 0.00 35.03 31.62 3kip n LYS 42 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kip n ASN 43 N -1.99 -2.10 -0.86 4.39 5.15 0.21 -4.86 115.26 115.20 3kip n ASN 43 Ca 0.04 -0.83 -0.05 0.00 -0.60 0.00 0.00 54.58 53.14 3kip n ASN 43 Cb 0.41 -4.07 -0.05 0.00 -0.53 0.00 0.00 39.78 35.54 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 -3.02 -0.73 -3.88 1.20 6.94 -1.26 -5.00 115.26 109.50 3kip n ASN 44 Ca -0.26 -1.64 -0.30 0.00 -0.02 0.00 0.00 54.58 52.36 3kip n ASN 44 Cb 0.66 0.22 0.01 0.00 -2.36 0.00 0.00 39.78 38.31 3kip n ASN 44 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3kip n ASP 45 N 0.00 -2.58 -4.89 0.53 9.92 -1.26 -5.00 116.55 113.28 3kip n ASP 45 Ca -0.20 -1.06 -0.29 0.00 -0.53 0.00 0.00 54.79 52.71 3kip n ASP 45 Cb 0.62 -2.96 0.01 0.00 -0.64 0.00 0.00 41.12 38.16 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 -3.94 6.05 -0.12 -2.24 0.01 -1.26 -4.85 113.70 107.35 3kip s SER 46 Ca 0.24 1.16 -0.09 0.00 1.31 0.00 0.00 55.95 58.57 3kip s SER 46 Cb -0.10 -2.24 0.04 0.00 0.21 0.00 0.00 66.02 63.93 3kip s SER 46 CO 0.89 -0.88 0.31 -0.70 0.41 0.00 0.00 173.24 173.27 3kip s GLU 47 N -5.07 0.33 -0.25 12.44 2.12 0.17 -4.60 118.70 123.85 3kip s GLU 47 Ca 0.53 0.52 -0.02 0.00 0.36 0.00 0.00 54.97 56.37 3kip s GLU 47 Cb -0.11 0.07 0.03 0.00 0.26 0.00 0.00 34.13 34.38 3kip s GLU 47 CO 0.50 -0.09 -0.06 0.08 -0.54 0.00 0.00 175.26 175.15 3kip s VAL 48 N 0.66 2.89 0.38 3.70 1.01 -1.26 -1.14 120.40 126.64 3kip s VAL 48 Ca -0.04 -1.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.77 3kip s VAL 48 Cb -0.05 -2.46 -0.09 0.00 0.00 0.00 0.00 36.38 33.77 3kip s VAL 48 CO -0.04 0.20 0.81 -0.76 0.00 0.00 0.00 175.10 175.31 3kip s LEU 49 N 1.33 3.95 0.01 3.92 1.43 0.17 -4.49 118.68 124.99 3kip s LEU 49 Ca 0.00 1.36 0.05 0.00 -1.03 0.00 0.00 54.13 54.51 3kip s LEU 49 Cb -0.17 -4.20 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 3kip s LEU 49 CO -0.04 -0.31 -0.16 0.68 0.23 0.00 0.00 176.35 176.75 3kip s VAL 50 N -2.17 1.23 -0.16 -1.59 -7.23 -1.26 0.10 120.40 109.32 3kip s VAL 50 Ca 0.56 -0.85 -0.16 0.00 -1.81 0.00 0.00 61.98 59.72 3kip s VAL 50 Cb -0.10 -1.07 0.04 0.00 0.56 0.00 0.00 36.38 35.82 3kip s VAL 50 CO 0.21 0.20 0.45 0.12 -0.31 0.00 0.00 175.10 175.77 3kip s PHE 51 N -0.59 -0.49 -0.05 2.82 5.36 -0.03 -4.95 117.98 120.05 3kip s PHE 51 Ca 0.05 1.19 -0.06 0.00 -0.96 0.00 0.00 56.93 57.14 3kip s PHE 51 Cb -0.07 0.17 0.01 0.00 -0.34 0.00 0.00 43.02 42.79 3kip s PHE 51 CO 0.00 -0.25 0.16 -1.14 -1.46 0.00 0.00 175.22 172.53 3kip s GLN 52 N 0.17 0.25 0.00 10.12 -0.44 -1.26 -0.90 119.66 127.61 3kip s GLN 52 Ca -0.01 0.09 -0.21 0.00 -2.50 0.00 0.00 55.36 52.73 3kip s GLN 52 Cb -0.03 0.12 0.04 0.00 -1.64 0.00 0.00 33.01 31.50 3kip s GLN 52 CO 0.01 -0.04 0.47 0.45 0.50 0.00 0.00 175.29 176.67 3kip s SER 53 N -0.24 -0.38 0.00 6.67 0.15 -1.04 -4.99 113.70 113.87 3kip s SER 53 Ca -0.03 0.23 0.23 0.00 0.70 0.00 0.00 55.95 57.08 3kip s SER 53 Cb -0.03 0.43 0.08 0.00 -1.71 0.00 0.00 66.02 64.80 3kip s SER 53 CO 0.01 -0.59 1.13 0.59 1.20 0.00 0.00 173.24 175.57 3kip n ASN 54 N 0.82 1.56 -4.55 5.45 3.02 -1.26 -2.76 115.26 117.54 3kip n ASN 54 Ca -0.20 -1.23 -0.40 0.00 -0.03 0.00 0.00 54.58 52.72 3kip n ASN 54 Cb 0.58 0.54 -0.10 0.00 -0.61 0.00 0.00 39.78 40.19 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 -2.63 5.21 0.14 3.41 2.01 -1.26 -4.67 115.64 117.86 3kip s THR 55 Ca 0.16 0.01 -0.26 0.00 0.31 0.00 0.00 61.69 61.91 3kip s THR 55 Cb 0.18 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 3kip s THR 55 CO 0.64 -0.04 1.59 -0.08 -0.69 0.00 0.00 174.62 176.05 3kip h GLU 56 N 8.45 -0.37 -0.90 4.92 4.81 -2.00 -2.00 114.58 127.49 3kip h GLU 56 Ca -0.31 0.02 0.20 0.00 -0.13 0.00 0.00 59.36 59.15 3kip h GLU 56 Cb 1.15 0.08 -0.17 0.00 0.63 0.00 0.00 28.75 30.45 3kip h GLU 56 CO 0.67 -0.24 -0.12 0.78 -0.73 0.00 0.00 179.01 179.36 3kip h GLY 57 N -0.38 0.83 1.20 1.92 0.00 -1.99 -1.28 103.07 103.37 3kip h GLY 57 Ca 0.12 0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.58 3kip h GLY 57 CO -0.46 -0.38 -0.08 0.74 0.00 0.00 0.00 176.54 176.37 3kip h PHE 58 N 0.02 1.05 -0.47 5.60 -1.00 -1.81 0.36 116.94 120.68 3kip h PHE 58 Ca 0.47 -0.20 -0.05 0.00 2.81 0.00 0.00 57.97 61.00 3kip h PHE 58 Cb 0.82 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 40.09 3kip h PHE 58 CO -0.61 0.97 0.08 0.82 -1.61 0.00 0.00 178.31 177.96 3kip h ILE 59 N 0.85 1.22 0.19 -0.55 2.04 -0.73 0.11 117.51 120.64 3kip h ILE 59 Ca 0.14 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 3kip h ILE 59 Cb 0.61 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3kip h ILE 59 CO 0.04 0.30 -0.09 0.40 0.00 0.00 0.00 178.15 178.79 3kip h ILE 60 N 0.70 0.87 -0.64 -0.67 2.04 -0.18 -2.25 117.51 117.38 3kip h ILE 60 Ca 0.15 -0.34 0.12 0.00 1.00 0.00 0.00 64.86 65.80 3kip h ILE 60 Cb 0.32 1.08 -0.12 0.00 -0.74 0.00 0.00 36.82 37.35 3kip h ILE 60 CO 0.00 0.08 -0.24 0.44 0.00 0.00 0.00 178.15 178.43 3kip h ASP 61 N -0.43 -0.86 -0.98 1.72 3.32 -0.01 -1.71 116.42 117.47 3kip h ASP 61 Ca -0.03 0.21 0.11 0.00 0.02 0.00 0.00 57.03 57.35 3kip h ASP 61 Cb 0.33 0.49 -0.08 0.00 0.22 0.00 0.00 39.33 40.29 3kip h ASP 61 CO 0.04 -0.26 0.61 -0.09 -1.72 0.00 0.00 179.24 177.83 3kip h ARG 62 N -0.07 0.97 -0.33 3.56 9.65 -0.47 -0.32 114.38 127.37 3kip h ARG 62 Ca 0.29 -0.06 -0.16 0.00 -1.10 0.00 0.00 59.98 58.95 3kip h ARG 62 Cb 0.53 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 28.88 3kip h ARG 62 CO -0.69 0.64 -0.41 0.82 2.80 0.00 0.00 179.97 183.13 3kip h ILE 63 N 1.00 1.28 -0.50 1.20 2.04 -0.75 0.81 117.51 122.59 3kip h ILE 63 Ca 0.47 -1.59 0.02 0.00 1.00 0.00 0.00 64.86 64.76 3kip h ILE 63 Cb 0.42 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 3kip h ILE 63 CO -0.25 0.52 0.31 0.45 0.00 0.00 0.00 178.15 179.19 3kip h HIS 64 N 0.64 0.59 -0.49 1.37 3.86 -0.66 -2.41 115.15 118.05 3kip h HIS 64 Ca 0.04 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3kip h HIS 64 Cb 1.01 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 3kip h HIS 64 CO 0.07 0.35 0.30 1.49 0.86 0.00 0.00 177.93 181.01 3kip h GLU 65 N 0.63 0.66 -0.69 2.45 4.57 -0.82 -2.58 114.58 118.80 3kip h GLU 65 Ca 0.19 -0.06 0.14 0.00 -1.18 0.00 0.00 59.36 58.45 3kip h GLU 65 Cb -0.02 -0.14 -0.10 0.00 -0.16 0.00 0.00 28.75 28.33 3kip h GLU 65 CO -0.07 0.48 0.20 0.00 -1.18 0.00 0.00 179.01 178.44 3kip h ALA 66 N 1.15 0.90 -0.35 2.92 0.00 -0.64 -0.86 119.26 122.38 3kip h ALA 66 Ca 0.18 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.27 3kip h ALA 66 Cb -0.02 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3kip h ALA 66 CO -0.03 -0.28 0.10 -0.22 0.00 0.00 0.00 179.25 178.81 3kip h LYS 67 N 0.33 0.22 -0.29 0.00 1.63 -1.04 0.28 116.57 117.70 3kip h LYS 67 Ca 0.38 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 60.23 3kip h LYS 67 Cb 0.59 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 3kip h LYS 67 CO -0.43 0.15 0.20 0.00 -3.45 0.00 0.00 179.45 175.92 3kip h ARG 68 N 0.23 0.08 -0.01 1.90 3.08 -1.04 -1.01 114.38 117.61 3kip h ARG 68 Ca 0.16 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3kip h ARG 68 Cb 0.16 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3kip h ARG 68 CO -0.19 0.06 -0.13 1.04 -1.07 0.00 0.00 179.97 179.67 3kip n GLN 69 N -4.47 1.14 -2.43 0.04 6.02 -0.44 -4.94 117.38 112.30 3kip n GLN 69 Ca 0.03 -0.62 -0.10 0.00 -0.01 0.00 0.00 57.00 56.30 3kip n GLN 69 Cb 0.30 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 30.08 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 1.26 0.05 3.74 1.08 0.00 -0.38 -4.97 105.19 105.96 3kip n GLY 70 Ca 0.15 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.68 2.25 -0.20 1.61 1.01 -0.02 -4.74 120.40 117.63 3kip s VAL 71 Ca 0.08 0.20 0.19 0.00 0.00 0.00 0.00 61.98 62.45 3kip s VAL 71 Cb -0.04 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 3kip s VAL 71 CO 0.10 0.03 1.08 1.23 0.00 0.00 0.00 175.10 177.54 3kip h GLY 72 N 5.67 0.00 -4.15 4.51 0.00 -1.13 -3.44 103.07 104.53 3kip h GLY 72 Ca -0.45 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 3kip h GLY 72 CO 0.85 0.00 0.27 -0.12 0.00 0.00 0.00 176.54 177.54 3kip s PHE 73 N -3.10 -0.60 -0.05 5.60 2.19 -1.21 -4.43 117.98 116.39 3kip s PHE 73 Ca 0.00 1.04 0.06 0.00 0.33 0.00 0.00 56.93 58.36 3kip s PHE 73 Cb 0.08 0.41 -0.01 0.00 -1.31 0.00 0.00 43.02 42.20 3kip s PHE 73 CO 0.78 -0.54 -0.23 0.08 1.83 0.00 0.00 175.22 177.14 3kip s VAL 74 N -1.10 1.91 -0.24 3.12 1.01 0.30 -1.70 120.40 123.69 3kip s VAL 74 Ca -0.08 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 3kip s VAL 74 Cb -0.00 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.77 3kip s VAL 74 CO 0.08 0.54 -0.05 -0.69 0.00 0.00 0.00 175.10 174.97 3kip s VAL 75 N -0.17 3.04 -0.05 2.92 1.01 0.80 -1.25 120.40 126.69 3kip s VAL 75 Ca -0.02 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.12 3kip s VAL 75 Cb -0.13 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.78 3kip s VAL 75 CO 0.03 0.27 -0.07 -0.51 0.00 0.00 0.00 175.10 174.82 3kip s ILE 76 N 1.38 0.73 -0.43 2.22 2.07 0.03 -0.97 121.20 126.22 3kip s ILE 76 Ca 0.02 -0.25 -0.01 0.00 -1.41 0.00 0.00 60.65 59.00 3kip s ILE 76 Cb -0.16 -0.70 0.12 0.00 0.13 0.00 0.00 42.46 41.85 3kip s ILE 76 CO -0.04 0.26 0.21 0.21 -1.91 0.00 0.00 174.94 173.67 3kip s ASN 77 N 0.72 5.07 0.00 4.50 3.84 -0.52 0.25 114.94 128.79 3kip s ASN 77 Ca -0.11 -2.26 0.05 0.00 0.21 0.00 0.00 52.86 50.75 3kip s ASN 77 Cb -0.14 -1.77 0.31 0.00 -0.55 0.00 0.00 41.25 39.10 3kip s ASN 77 CO 0.01 -0.46 1.20 0.00 -2.79 0.00 0.00 177.10 175.07 3kip n ALA 78 N 4.23 2.53 -0.05 1.71 0.00 -1.26 0.65 120.51 128.32 3kip n ALA 78 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3kip n ALA 78 Cb 0.40 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 0.59 2.00 0.30 0.00 0.00 -1.26 -1.00 105.19 105.81 3kip n GLY 79 Ca 0.04 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.05 1.30 -0.34 4.61 0.00 -1.94 0.14 119.26 122.98 3kip h ALA 80 Ca 0.00 0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.16 3kip h ALA 80 Cb 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kip h ALA 80 CO 0.00 -0.31 0.48 1.88 0.00 0.00 0.00 179.25 181.31 3kip h TYR 81 N 0.40 0.00 -1.04 0.00 0.05 -1.45 0.27 116.97 115.20 3kip h TYR 81 Ca 0.51 0.00 0.27 0.00 0.05 0.00 0.00 58.73 59.56 3kip h TYR 81 Cb 0.93 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.57 3kip h TYR 81 CO -0.16 0.00 0.66 1.15 -1.05 0.00 0.00 178.16 178.76 3kip h THR 82 N 0.00 0.51 0.00 -2.88 2.02 -0.95 -0.20 112.91 111.41 3kip h THR 82 Ca 0.16 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3kip h THR 82 Cb 1.12 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3kip h THR 82 CO -0.00 0.08 -1.19 1.41 0.37 0.00 0.00 175.52 176.19 3kip n HIS 83 N -4.67 0.07 0.00 3.16 8.25 0.95 -0.36 115.22 122.63 3kip n HIS 83 Ca 0.26 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 3kip n HIS 83 Cb 0.87 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.74 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 -1.78 0.00 -3.48 1.59 -2.24 -0.91 -4.75 114.28 102.70 3kip n THR 84 Ca 0.02 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 3kip n THR 84 Cb 0.41 0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 69.37 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 -1.22 6.01 0.34 3.42 0.15 -0.13 -4.84 113.70 117.42 3kip s SER 85 Ca 0.00 -2.31 0.08 0.00 0.70 0.00 0.00 55.95 54.43 3kip s SER 85 Cb 0.00 -2.07 0.61 0.00 -1.71 0.00 0.00 66.02 62.85 3kip s SER 85 CO 0.00 -0.62 1.80 0.58 1.20 0.00 0.00 173.24 176.20 3kip h VAL 86 N 5.53 1.25 -0.68 4.45 2.07 -1.93 -3.04 116.25 123.90 3kip h VAL 86 Ca -0.09 -1.20 0.06 0.00 0.82 0.00 0.00 66.70 66.29 3kip h VAL 86 Cb 1.04 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 32.25 3kip h VAL 86 CO 0.83 0.36 0.38 1.23 0.02 0.00 0.00 177.57 180.39 3kip h GLY 87 N 1.02 1.00 1.15 2.17 0.00 -1.98 -0.06 103.07 106.37 3kip h GLY 87 Ca 0.03 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 3kip h GLY 87 CO 0.04 0.16 0.07 -2.22 0.00 0.00 0.00 176.54 174.60 3kip h ILE 88 N 0.71 1.26 -0.41 2.60 2.04 -1.90 -0.44 117.51 121.37 3kip h ILE 88 Ca 0.30 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 3kip h ILE 88 Cb 0.18 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3kip h ILE 88 CO -0.18 0.39 0.18 -0.09 0.00 0.00 0.00 178.15 178.45 3kip h ARG 89 N 0.96 0.59 0.00 2.37 2.43 -1.34 0.12 114.38 119.52 3kip h ARG 89 Ca 0.19 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3kip h ARG 89 Cb 0.46 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3kip h ARG 89 CO 0.02 0.53 -0.23 -0.44 -1.51 0.00 0.00 179.97 178.34 3kip h ASP 90 N 0.52 0.00 -0.02 -3.80 3.32 -0.84 0.20 116.42 115.79 3kip h ASP 90 Ca 0.14 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 3kip h ASP 90 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3kip h ASP 90 CO -0.02 0.23 -0.06 0.00 -1.72 0.00 0.00 179.24 177.67 3kip h ALA 91 N 1.77 0.04 -0.36 3.45 0.00 -0.27 0.52 119.26 124.41 3kip h ALA 91 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3kip h ALA 91 Cb 0.80 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3kip h ALA 91 CO 0.03 -0.11 0.20 -0.07 0.00 0.00 0.00 179.25 179.30 3kip h LEU 92 N -0.49 0.44 -0.87 0.00 3.38 -0.23 -1.28 115.31 116.26 3kip h LEU 92 Ca -0.00 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 57.98 3kip h LEU 92 Cb 0.68 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 3kip h LEU 92 CO 0.01 0.39 0.53 -0.07 0.09 0.00 0.00 178.44 179.39 3kip h LEU 93 N 0.45 0.79 -0.85 1.67 3.38 -0.67 0.22 115.31 120.30 3kip h LEU 93 Ca 0.13 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3kip h LEU 93 Cb 0.05 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3kip h LEU 93 CO -0.02 0.47 0.31 1.23 0.09 0.00 0.00 178.44 180.52 3kip h GLY 94 N 0.90 1.25 0.36 0.83 0.00 0.84 -3.04 103.07 104.21 3kip h GLY 94 Ca 0.41 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3kip h GLY 94 CO -0.22 0.63 -1.47 -1.30 0.00 0.00 0.00 176.54 174.18 3kip n THR 95 N -4.28 0.18 -2.48 4.70 -2.24 -0.56 -4.97 114.28 104.63 3kip n THR 95 Ca 0.07 -0.41 -0.10 0.00 -2.27 0.00 0.00 64.05 61.34 3kip n THR 95 Cb 0.18 0.06 0.01 0.00 -2.10 0.00 0.00 70.33 68.48 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 -2.08 -0.38 -2.64 6.98 0.00 0.75 -4.99 120.51 118.15 3kip n ALA 96 Ca -0.01 0.11 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 3kip n ALA 96 Cb 0.51 -1.79 -0.07 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.71 5.10 0.56 0.00 1.01 -1.16 -5.05 121.20 118.94 3kip s ILE 97 Ca 0.10 0.87 -0.20 0.00 0.00 0.00 0.00 60.65 61.41 3kip s ILE 97 Cb -0.04 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 3kip s ILE 97 CO 0.12 0.14 1.25 -2.16 0.00 0.00 0.00 174.94 174.29 3kip s PRO 98 N 1.95 3.15 0.06 2.79 0.04 -1.26 -4.78 135.00 136.94 3kip s PRO 98 Ca 0.22 1.97 -0.06 0.00 0.04 0.00 0.00 61.00 63.16 3kip s PRO 98 Cb -0.15 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 3kip s PRO 98 CO 0.09 -1.10 0.11 -0.59 0.04 0.00 0.00 177.00 175.55 3kip s PHE 99 N -1.47 0.24 -0.05 0.56 -0.71 -1.26 -0.54 117.98 114.74 3kip s PHE 99 Ca 0.73 -0.63 0.07 0.00 -1.04 0.00 0.00 56.93 56.05 3kip s PHE 99 Cb -0.34 -0.16 -0.01 0.00 -1.21 0.00 0.00 43.02 41.30 3kip s PHE 99 CO 0.39 -0.44 -0.25 0.42 -1.34 0.00 0.00 175.22 173.99 3kip s ILE 100 N -3.34 2.05 -0.16 -4.49 1.01 -0.38 0.36 121.20 116.25 3kip s ILE 100 Ca 0.01 -1.08 -0.19 0.00 0.00 0.00 0.00 60.65 59.39 3kip s ILE 100 Cb 0.03 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 3kip s ILE 100 CO -0.08 0.57 0.53 -0.70 0.00 0.00 0.00 174.94 175.27 3kip s GLU 101 N -0.27 4.27 -0.05 2.79 2.12 -0.77 -0.79 118.70 126.00 3kip s GLU 101 Ca -0.00 0.50 0.04 0.00 0.36 0.00 0.00 54.97 55.86 3kip s GLU 101 Cb -0.13 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 3kip s GLU 101 CO 0.03 -0.02 -0.14 0.08 -0.54 0.00 0.00 175.26 174.66 3kip s VAL 102 N 1.21 3.04 -0.10 3.70 1.01 0.14 -1.35 120.40 128.05 3kip s VAL 102 Ca 0.27 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3kip s VAL 102 Cb -0.16 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.05 3kip s VAL 102 CO 0.11 0.59 -0.13 -1.00 0.00 0.00 0.00 175.10 174.66 3kip s HIS 103 N -0.71 1.79 0.20 5.22 3.76 -0.23 -4.24 115.29 121.09 3kip s HIS 103 Ca 0.11 -0.82 -0.11 0.00 -0.15 0.00 0.00 55.06 54.09 3kip s HIS 103 Cb -0.11 -1.32 0.15 0.00 1.11 0.00 0.00 32.58 32.41 3kip s HIS 103 CO 0.01 -0.45 1.87 0.82 -0.85 0.00 0.00 174.74 176.14 3kip h ILE 104 N 6.00 1.16 -1.81 0.60 2.04 -1.87 -1.05 117.51 122.59 3kip h ILE 104 Ca -0.31 -0.32 -0.46 0.00 1.00 0.00 0.00 64.86 64.77 3kip h ILE 104 Cb 1.17 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3kip h ILE 104 CO 0.47 0.17 -0.38 0.42 0.00 0.00 0.00 178.15 178.84 3kip s THR 105 N -6.14 3.87 -0.55 -0.27 -4.23 -1.26 -1.86 115.64 105.21 3kip s THR 105 Ca -0.13 -1.13 -0.26 0.00 -1.18 0.00 0.00 61.69 58.99 3kip s THR 105 Cb 0.15 -3.33 0.04 0.00 1.34 0.00 0.00 72.50 70.70 3kip s THR 105 CO 0.77 -0.16 1.02 0.21 -0.54 0.00 0.00 174.62 175.92 3kip s ASN 106 N -4.11 6.40 0.53 3.99 2.47 -1.26 -3.18 114.94 119.79 3kip s ASN 106 Ca 0.44 -0.13 0.31 0.00 0.42 0.00 0.00 52.86 53.90 3kip s ASN 106 Cb -0.08 -2.48 1.44 0.00 -1.45 0.00 0.00 41.25 38.68 3kip s ASN 106 CO 0.29 -1.28 2.03 1.62 -3.72 0.00 0.00 177.10 176.04 3kip h VAL 107 N 6.08 0.29 0.00 -5.21 3.04 -1.91 -1.25 116.25 117.28 3kip h VAL 107 Ca -0.25 -0.58 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 3kip h VAL 107 Cb 1.07 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 3kip h VAL 107 CO 1.11 0.08 0.00 1.41 -1.01 0.00 0.00 177.57 179.16 3kip n HIS 108 N -3.31 0.00 1.27 3.17 8.25 -1.26 -2.05 115.22 121.29 3kip n HIS 108 Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 3kip n HIS 108 Cb 0.28 -0.29 0.45 0.00 1.12 0.00 0.00 29.99 31.55 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 -1.29 0.69 -0.83 -0.41 6.02 -0.47 -4.94 117.38 116.15 3kip n GLN 109 Ca 0.09 -0.35 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 3kip n GLN 109 Cb 0.17 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.93 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 -0.85 2.32 -1.75 -1.09 1.74 -0.87 -5.06 116.66 111.10 3kip n ARG 110 Ca 0.12 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.79 3kip n ARG 110 Cb 0.32 0.00 0.01 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 -0.31 2.32 -0.31 5.56 4.71 -1.26 -4.84 120.64 126.51 3kip n GLU 111 Ca 0.00 0.82 0.22 0.00 -0.01 0.00 0.00 57.16 58.19 3kip n GLU 111 Cb 0.00 -2.55 0.42 0.00 -1.01 0.00 0.00 31.44 28.29 3kip n GLU 111 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 3kip n PRO 112 N 0.18 -0.07 0.27 3.49 -0.02 -1.26 0.51 135.00 138.10 3kip n PRO 112 Ca 0.04 1.35 0.16 0.00 -2.02 0.00 0.00 63.50 63.03 3kip n PRO 112 Cb 0.39 -2.28 0.87 0.00 -0.02 0.00 0.00 33.50 32.46 3kip n PRO 112 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3kip h PHE 113 N 0.00 0.00 -0.00 6.00 -5.15 -1.97 -0.75 116.94 115.06 3kip h PHE 113 Ca 0.68 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.45 3kip h PHE 113 Cb 1.65 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.82 3kip h PHE 113 CO -0.24 0.00 -0.41 0.54 -2.00 0.00 0.00 178.31 176.20 3kip n ARG 114 N -2.69 0.42 0.17 6.09 1.74 0.18 -2.81 116.66 119.77 3kip n ARG 114 Ca -0.02 -0.25 0.13 0.00 -0.77 0.00 0.00 57.85 56.94 3kip n ARG 114 Cb 0.15 -1.49 0.52 0.00 -1.02 0.00 0.00 32.46 30.62 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 0.62 0.00 -3.20 -1.55 3.86 -1.18 -3.44 115.15 110.26 3kip h HIS 115 Ca 0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 3kip h HIS 115 Cb 0.51 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.90 3kip h HIS 115 CO 0.00 0.00 -0.24 -0.65 0.86 0.00 0.00 177.93 177.90 3kip s GLN 116 N -3.39 4.15 0.03 2.45 -1.52 -1.12 -5.07 119.66 115.19 3kip s GLN 116 Ca 0.04 0.29 0.08 0.00 -1.95 0.00 0.00 55.36 53.82 3kip s GLN 116 Cb 0.09 -3.36 -0.02 0.00 -0.22 0.00 0.00 33.01 29.50 3kip s GLN 116 CO 0.46 0.36 -0.23 0.45 -0.25 0.00 0.00 175.29 176.09 3kip s SER 117 N 0.02 2.68 0.00 5.90 0.15 -1.26 -4.38 113.70 116.81 3kip s SER 117 Ca 0.21 -0.51 0.15 0.00 0.70 0.00 0.00 55.95 56.51 3kip s SER 117 Cb -0.15 -0.25 0.50 0.00 -1.71 0.00 0.00 66.02 64.42 3kip s SER 117 CO 0.09 0.22 1.39 -1.22 1.20 0.00 0.00 173.24 174.91 3kip n TYR 118 N 2.01 0.36 -0.08 3.44 4.01 0.52 -4.14 117.16 123.28 3kip n TYR 118 Ca -0.17 -0.18 -0.09 0.00 -0.16 0.00 0.00 57.90 57.30 3kip n TYR 118 Cb 0.53 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.43 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 0.44 0.44 -0.10 7.72 4.77 -1.26 -4.70 117.00 124.31 3kip n LEU 119 Ca 0.14 -0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 56.01 3kip n LEU 119 Cb 0.31 0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 3kip n LEU 119 CO 0.10 0.46 1.01 0.28 -1.33 0.00 0.00 177.39 177.91 3kip h SER 120 N 0.00 0.38 0.68 -1.43 0.02 -1.95 0.47 113.55 111.72 3kip h SER 120 Ca -0.44 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3kip h SER 120 Cb 1.95 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.39 3kip h SER 120 CO 0.01 0.28 0.00 -2.24 -1.14 0.00 0.00 176.83 173.74 3kip h ASP 121 N 0.45 0.00 -0.01 3.07 2.03 -1.89 -2.04 116.42 118.03 3kip h ASP 121 Ca 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 3kip h ASP 121 Cb -0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.45 3kip h ASP 121 CO -0.03 0.00 -0.46 0.29 -1.03 0.00 0.00 179.24 178.02 3kip n LYS 122 N -2.59 1.41 -2.04 4.15 4.76 -0.31 -5.03 118.16 118.52 3kip n LYS 122 Ca 0.01 -0.79 -0.30 0.00 -2.87 0.00 0.00 58.31 54.36 3kip n LYS 122 Cb 0.22 -1.37 0.02 0.00 -1.84 0.00 0.00 35.03 32.06 3kip n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kip s ALA 123 N -2.24 3.09 0.08 7.82 0.00 0.00 -4.80 121.76 125.72 3kip s ALA 123 Ca 0.15 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 51.66 3kip s ALA 123 Cb 0.15 -2.94 -0.21 0.00 0.00 0.00 0.00 23.12 20.13 3kip s ALA 123 CO 0.52 -0.82 1.23 0.28 0.00 0.00 0.00 175.76 176.96 3kip h VAL 124 N -0.35 1.28 -3.74 0.00 2.07 -0.41 -3.47 116.25 111.62 3kip h VAL 124 Ca -0.45 -2.13 -0.08 0.00 0.82 0.00 0.00 66.70 64.86 3kip h VAL 124 Cb 1.22 2.24 -0.10 0.00 -1.52 0.00 0.00 31.29 33.13 3kip h VAL 124 CO 0.62 0.66 -0.18 0.00 0.02 0.00 0.00 177.57 178.69 3kip s ALA 125 N -3.47 -0.14 -0.11 1.67 0.00 -1.25 -5.06 121.76 113.39 3kip s ALA 125 Ca -0.10 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 3kip s ALA 125 Cb 0.07 1.04 0.04 0.00 0.00 0.00 0.00 23.12 24.27 3kip s ALA 125 CO 0.91 -0.79 0.04 0.08 0.00 0.00 0.00 175.76 176.00 3kip s VAL 126 N -4.01 0.22 -0.24 0.00 1.01 -1.26 -1.84 120.40 114.28 3kip s VAL 126 Ca 0.22 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 3kip s VAL 126 Cb 0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 3kip s VAL 126 CO 0.06 0.04 0.13 -0.63 0.00 0.00 0.00 175.10 174.70 3kip s ILE 127 N 2.02 5.00 -0.10 2.22 1.01 -0.46 -5.00 121.20 125.89 3kip s ILE 127 Ca 0.03 0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.69 3kip s ILE 127 Cb -0.14 -3.33 0.05 0.00 0.01 0.00 0.00 42.46 39.04 3kip s ILE 127 CO -0.06 0.34 0.23 0.00 0.00 0.00 0.00 174.94 175.45 3kip n GLY 129 N 4.54 0.70 0.00 0.00 0.00 -0.40 -4.63 105.19 105.41 3kip n GLY 129 Ca -0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.84 3kip n GLY 129 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kip n LEU 130 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.68 117.00 116.82 3kip n LEU 130 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kip n LEU 130 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3kip n LEU 130 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3kip n GLY 131 N 0.38 2.41 0.20 -0.72 0.00 -0.78 -2.84 105.19 103.84 3kip n GLY 131 Ca 0.03 -0.47 0.06 0.00 0.00 0.00 0.00 46.02 45.64 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 0.91 -0.33 1.61 -1.51 -1.95 -1.59 116.25 113.39 3kip h VAL 132 Ca 0.00 -1.37 0.10 0.00 -1.23 0.00 0.00 66.70 64.19 3kip h VAL 132 Cb 0.00 1.82 -0.01 0.00 -2.13 0.00 0.00 31.29 30.97 3kip h VAL 132 CO 0.00 0.34 0.31 0.22 -1.23 0.00 0.00 177.57 177.21 3kip h TYR 133 N 0.00 0.00 -0.55 5.19 3.20 -1.94 0.54 116.97 123.40 3kip h TYR 133 Ca -0.00 0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.98 3kip h TYR 133 Cb 0.80 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 38.96 3kip h TYR 133 CO 0.00 0.00 -0.17 0.78 -1.64 0.00 0.00 178.16 177.13 3kip h GLY 134 N 0.00 0.32 0.88 1.82 0.00 -1.30 0.31 103.07 105.09 3kip h GLY 134 Ca 0.16 0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.74 3kip h GLY 134 CO -0.00 -0.22 0.52 -0.97 0.00 0.00 0.00 176.54 175.87 3kip h TYR 135 N -0.04 0.97 -0.49 5.60 0.05 -1.07 -1.01 116.97 120.99 3kip h TYR 135 Ca 0.26 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 59.05 3kip h TYR 135 Cb 0.44 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 3kip h TYR 135 CO -0.49 0.56 0.24 1.15 -1.05 0.00 0.00 178.16 178.58 3kip h THR 136 N 1.01 1.18 -0.11 -2.88 2.02 -0.46 -0.53 112.91 113.16 3kip h THR 136 Ca 0.32 -0.51 0.01 0.00 0.77 0.00 0.00 66.41 67.00 3kip h THR 136 Cb 0.00 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3kip h THR 136 CO -0.11 0.20 0.05 0.00 0.37 0.00 0.00 175.52 176.03 3kip h ALA 137 N 1.08 0.12 -0.97 6.16 0.00 -0.79 0.16 119.26 125.02 3kip h ALA 137 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3kip h ALA 137 Cb 0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3kip h ALA 137 CO -0.02 -0.40 0.64 0.00 0.00 0.00 0.00 179.25 179.47 3kip h ALA 138 N 1.06 1.33 -0.13 0.00 0.00 -0.79 -0.85 119.26 119.87 3kip h ALA 138 Ca 0.04 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3kip h ALA 138 Cb 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3kip h ALA 138 CO -0.03 0.61 -0.35 0.82 0.00 0.00 0.00 179.25 180.30 3kip h ILE 139 N 1.29 1.37 -0.62 0.00 2.04 -0.80 -0.54 117.51 120.24 3kip h ILE 139 Ca 0.37 -1.64 0.12 0.00 1.00 0.00 0.00 64.86 64.71 3kip h ILE 139 Cb -0.10 2.07 -0.12 0.00 -0.74 0.00 0.00 36.82 37.93 3kip h ILE 139 CO -0.09 0.49 -0.19 -0.08 0.00 0.00 0.00 178.15 178.27 3kip h GLU 140 N 0.07 -0.04 -0.58 2.37 4.57 -0.37 0.28 114.58 120.87 3kip h GLU 140 Ca -0.01 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3kip h GLU 140 Cb 0.96 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.53 3kip h GLU 140 CO 0.07 -0.03 0.34 -0.92 -1.18 0.00 0.00 179.01 177.30 3kip h TYR 141 N -0.04 0.78 0.12 0.92 5.03 -0.97 -2.80 116.97 120.02 3kip h TYR 141 Ca 0.29 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.58 3kip h TYR 141 Cb 0.49 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.51 3kip h TYR 141 CO -0.54 0.55 -0.06 0.00 -1.32 0.00 0.00 178.16 176.79 3kip h ALA 142 N 1.17 -0.16 0.00 1.82 0.00 -0.41 -1.50 119.26 120.18 3kip h ALA 142 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kip h ALA 142 Cb 0.01 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kip h ALA 142 CO -0.04 -0.59 0.00 1.28 0.00 0.00 0.00 179.25 179.91 3kip n LEU 143 N -5.15 0.00 0.00 0.00 4.77 0.02 -1.78 117.00 114.86 3kip n LEU 143 Ca -0.08 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3kip n LEU 143 Cb 0.09 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3kip n LEU 143 CO 0.34 -0.02 0.42 0.59 -1.33 0.00 0.00 177.39 177.39 3kip n ASN 144 N -1.03 1.66 -4.69 -1.43 4.13 -0.59 -4.42 115.26 108.90 3kip n ASN 144 Ca 0.07 -1.67 -0.40 0.00 1.68 0.00 0.00 54.58 54.26 3kip n ASN 144 Cb 0.04 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.23 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 -0.67 3.47 -2.00 3.10 5.04 -0.73 -4.92 117.35 120.64 3kip s TYR 145 Ca 0.00 1.11 0.11 0.00 -2.44 0.00 0.00 57.07 55.85 3kip s TYR 145 Cb 0.00 -2.82 0.63 0.00 0.35 0.00 0.00 41.96 40.12 3kip s TYR 145 CO 0.00 -0.06 1.07 0.00 -1.34 0.00 0.00 175.55 175.22