#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 3.21 0.00 4.08 1.01 -0.67 -4.95 120.40 123.08 3kip s VAL 1 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.05 3kip s VAL 1 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3kip s VAL 1 CO 0.00 0.20 0.00 0.29 0.00 0.00 0.00 175.10 175.59 3kip n LYS 2 N 2.03 2.56 -3.78 2.72 4.76 -1.26 -4.66 118.16 120.52 3kip n LYS 2 Ca 0.03 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.10 3kip n LYS 2 Cb 0.43 -0.84 -0.13 0.00 -1.84 0.00 0.00 35.03 32.65 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 -1.62 2.84 -0.07 1.97 2.47 -1.26 -0.26 119.74 123.81 3kip s LYS 3 Ca 0.00 -1.02 0.05 0.00 -1.56 0.00 0.00 55.97 53.44 3kip s LYS 3 Cb 0.00 -3.36 -0.01 0.00 -1.46 0.00 0.00 37.83 33.00 3kip s LYS 3 CO 0.00 -0.54 -0.24 0.08 0.16 0.00 0.00 175.35 174.81 3kip s VAL 4 N 1.43 2.08 -0.21 4.02 1.01 -0.33 -0.52 120.40 127.88 3kip s VAL 4 Ca 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 3kip s VAL 4 Cb -0.18 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 3kip s VAL 4 CO 0.02 0.57 -0.03 -0.22 0.00 0.00 0.00 175.10 175.43 3kip s LEU 5 N 0.02 2.97 -0.10 3.92 2.96 -0.33 -0.53 118.68 127.59 3kip s LEU 5 Ca -0.09 -0.35 -0.25 0.00 -0.22 0.00 0.00 54.13 53.22 3kip s LEU 5 Cb -0.15 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 3kip s LEU 5 CO 0.06 0.00 0.78 -0.22 -1.32 0.00 0.00 176.35 175.65 3kip s LEU 6 N 1.35 4.27 -0.07 -0.68 2.96 0.19 -1.80 118.68 124.90 3kip s LEU 6 Ca 0.04 1.23 0.05 0.00 -0.22 0.00 0.00 54.13 55.24 3kip s LEU 6 Cb -0.14 -3.19 -0.01 0.00 0.50 0.00 0.00 46.19 43.35 3kip s LEU 6 CO -0.02 -0.24 -0.24 -0.63 -1.32 0.00 0.00 176.35 173.90 3kip s ILE 7 N 1.35 2.04 -0.06 6.68 1.01 0.19 -0.82 121.20 131.58 3kip s ILE 7 Ca 0.39 -1.04 0.05 0.00 0.00 0.00 0.00 60.65 60.05 3kip s ILE 7 Cb -0.18 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 3kip s ILE 7 CO 0.17 0.56 -0.19 0.20 0.00 0.00 0.00 174.94 175.68 3kip s ASN 8 N 0.04 3.57 0.00 3.58 -0.87 -0.11 -1.67 114.94 119.48 3kip s ASN 8 Ca -0.10 -0.36 0.00 0.00 -1.57 0.00 0.00 52.86 50.84 3kip s ASN 8 Cb -0.15 -0.86 0.00 0.00 -0.02 0.00 0.00 41.25 40.22 3kip s ASN 8 CO 0.06 0.29 0.00 0.61 -2.57 0.00 0.00 177.10 175.48 3kip n GLY 9 N 2.69 0.33 3.74 0.66 0.00 0.15 -2.41 105.19 110.36 3kip n GLY 9 Ca -0.17 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.72 3kip n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kip s PRO 10 N 1.10 2.79 0.00 1.61 0.04 -0.97 -2.61 135.00 136.96 3kip s PRO 10 Ca 0.00 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.10 3kip s PRO 10 Cb 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 3kip s PRO 10 CO 0.00 -1.41 0.00 0.09 0.04 0.00 0.00 177.00 175.72 3kip n ASN 11 N -1.60 0.00 0.30 6.66 3.02 -1.26 -4.52 115.26 117.86 3kip n ASN 11 Ca 0.14 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.87 3kip n ASN 11 Cb 0.48 -0.50 0.97 0.00 -0.61 0.00 0.00 39.78 40.12 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 -1.92 3.41 3.38 -1.86 -0.82 115.31 117.49 3kip h LEU 12 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 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 0.03 -0.12 -0.55 0.09 0.00 0.00 178.44 177.89 3kip h ASN 13 N 0.00 0.00 0.02 -0.43 -0.00 -1.87 -2.87 115.58 110.44 3kip h ASN 13 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 3kip h ASN 13 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.48 3kip h ASN 13 CO 0.00 0.12 0.00 0.18 -0.00 0.00 0.00 177.43 177.73 3kip n LEU 14 N -3.93 0.00 -4.77 6.14 4.77 -0.31 -4.56 117.00 114.34 3kip n LEU 14 Ca -0.02 0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.58 3kip n LEU 14 Cb 0.21 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 3kip n LEU 14 CO 0.32 -0.00 0.74 -1.48 -1.33 0.00 0.00 177.39 175.64 3kip s LEU 15 N -2.02 4.43 -0.43 2.23 2.34 -1.08 -0.96 118.68 123.18 3kip s LEU 15 Ca 0.47 2.11 0.02 0.00 0.06 0.00 0.00 54.13 56.80 3kip s LEU 15 Cb 0.22 -3.82 0.13 0.00 -0.56 0.00 0.00 46.19 42.16 3kip s LEU 15 CO 0.37 -0.19 0.21 -0.83 -1.06 0.00 0.00 176.35 174.85 3kip s GLY 16 N -1.19 1.80 0.00 -3.48 0.00 -1.20 -3.08 107.32 100.17 3kip s GLY 16 Ca 0.48 -2.62 0.24 0.00 0.00 0.00 0.00 44.72 42.81 3kip s GLY 16 CO 0.34 1.37 1.23 -1.30 0.00 0.00 0.00 173.10 174.74 3kip n THR 17 N 3.68 0.00 -0.11 0.90 -2.24 -0.14 -4.61 114.28 111.77 3kip n THR 17 Ca 0.06 -0.11 -0.22 0.00 -2.27 0.00 0.00 64.05 61.51 3kip n THR 17 Cb 0.36 0.78 -0.09 0.00 -2.10 0.00 0.00 70.33 69.27 3kip n THR 17 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3kip n ARG 18 N -0.84 0.51 -0.16 -0.78 0.63 -1.26 -5.18 116.66 109.58 3kip n ARG 18 Ca 0.08 0.18 0.05 0.00 -0.92 0.00 0.00 57.85 57.24 3kip n ARG 18 Cb 0.38 -1.36 0.13 0.00 0.45 0.00 0.00 32.46 32.05 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 -3.73 0.37 -4.39 -0.14 9.36 -1.26 -5.11 117.16 112.26 3kip n TYR 23 Ca -0.43 -0.63 -0.20 0.00 3.32 0.00 0.00 57.90 59.96 3kip n TYR 23 Cb 0.85 -0.10 -0.10 0.00 -0.63 0.00 0.00 39.34 39.36 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 -1.39 1.61 0.00 2.98 0.00 -1.26 -5.00 107.32 104.26 3kip s GLY 24 Ca 0.21 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.17 3kip s GLY 24 CO 0.09 -1.81 0.00 -1.30 0.00 0.00 0.00 173.10 170.08 3kip n THR 25 N -0.47 0.00 -2.33 0.90 -2.24 -1.26 -4.48 114.28 104.40 3kip n THR 25 Ca -0.07 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.28 3kip n THR 25 Cb 0.61 -0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.42 3.89 0.71 4.28 2.01 -1.26 -4.61 115.64 119.24 3kip s THR 26 Ca 0.00 0.92 -0.03 0.00 0.31 0.00 0.00 61.69 62.88 3kip s THR 26 Cb 0.00 -4.16 0.10 0.00 0.01 0.00 0.00 72.50 68.45 3kip s THR 26 CO 0.00 -0.71 0.99 -0.94 -0.69 0.00 0.00 174.62 173.26 3kip s SER 27 N 3.97 4.52 0.04 3.53 1.04 -1.26 -3.28 113.70 122.27 3kip s SER 27 Ca 0.62 -0.02 -0.21 0.00 0.48 0.00 0.00 55.95 56.82 3kip s SER 27 Cb -0.14 -0.50 -0.14 0.00 0.10 0.00 0.00 66.02 65.33 3kip s SER 27 CO 0.32 -1.74 1.37 0.25 0.98 0.00 0.00 173.24 174.42 3kip h LEU 28 N -0.54 0.31 -0.95 2.42 5.85 -1.78 -2.87 115.31 117.74 3kip h LEU 28 Ca -0.40 -0.44 0.23 0.00 0.84 0.00 0.00 57.88 58.11 3kip h LEU 28 Cb 1.28 -0.09 -0.12 0.00 0.37 0.00 0.00 40.66 42.10 3kip h LEU 28 CO 0.47 0.69 0.51 -1.28 -0.34 0.00 0.00 178.44 178.49 3kip h SER 29 N -0.06 0.52 -0.82 1.25 0.87 -1.91 -0.24 113.55 113.15 3kip h SER 29 Ca 0.03 0.14 0.04 0.00 -1.23 0.00 0.00 61.79 60.77 3kip h SER 29 Cb 0.58 0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.57 3kip h SER 29 CO 0.02 0.06 0.52 0.44 -0.53 0.00 0.00 176.83 177.34 3kip h ASP 30 N 0.50 0.85 -0.11 6.23 3.32 -1.89 -1.18 116.42 124.14 3kip h ASP 30 Ca 0.61 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.58 3kip h ASP 30 Cb 1.16 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3kip h ASP 30 CO -0.50 0.57 -0.24 0.40 -1.72 0.00 0.00 179.24 177.75 3kip h ILE 31 N 1.00 1.39 -0.98 0.35 2.04 -0.94 -1.87 117.51 118.50 3kip h ILE 31 Ca 0.34 -1.53 0.04 0.00 1.00 0.00 0.00 64.86 64.70 3kip h ILE 31 Cb 0.05 2.10 -0.06 0.00 -0.74 0.00 0.00 36.82 38.18 3kip h ILE 31 CO -0.13 0.45 0.64 -0.33 0.00 0.00 0.00 178.15 178.78 3kip h GLU 32 N -0.07 1.19 -0.59 2.37 5.08 -1.24 -2.17 114.58 119.15 3kip h GLU 32 Ca 0.00 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3kip h GLU 32 Cb 0.84 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3kip h GLU 32 CO 0.05 0.79 0.09 1.96 -1.00 0.00 0.00 179.01 180.90 3kip h GLN 33 N 1.23 0.99 -0.51 2.33 1.08 -0.83 -0.87 115.11 118.53 3kip h GLN 33 Ca 0.39 -0.27 -0.10 0.00 -1.45 0.00 0.00 58.65 57.23 3kip h GLN 33 Cb 0.02 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 3kip h GLN 33 CO -0.13 0.93 -0.06 0.00 -0.95 0.00 0.00 178.83 178.62 3kip h ALA 34 N 1.01 0.93 -0.21 3.87 0.00 -0.85 -0.86 119.26 123.15 3kip h ALA 34 Ca 0.18 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 3kip h ALA 34 Cb 0.43 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kip h ALA 34 CO 0.01 0.63 -0.34 0.00 0.00 0.00 0.00 179.25 179.55 3kip h ALA 35 N 1.10 0.33 -0.80 0.00 0.00 -1.20 -0.31 119.26 118.37 3kip h ALA 35 Ca 0.14 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.68 3kip h ALA 35 Cb 0.58 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3kip h ALA 35 CO 0.04 0.38 0.49 0.82 0.00 0.00 0.00 179.25 180.98 3kip h ILE 36 N 0.29 1.05 -0.20 0.00 2.04 -0.28 -2.63 117.51 117.78 3kip h ILE 36 Ca 0.02 -0.31 -0.17 0.00 1.00 0.00 0.00 64.86 65.39 3kip h ILE 36 Cb 0.93 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3kip h ILE 36 CO 0.08 0.17 -0.56 -0.33 0.00 0.00 0.00 178.15 177.51 3kip h GLU 37 N 0.91 0.73 -0.67 2.37 4.39 -1.05 -2.88 114.58 118.39 3kip h GLU 37 Ca 0.34 -0.52 0.13 0.00 0.34 0.00 0.00 59.36 59.66 3kip h GLU 37 Cb 0.13 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 28.77 3kip h GLU 37 CO -0.16 1.14 0.16 0.37 -1.16 0.00 0.00 179.01 179.37 3kip h GLN 38 N 0.45 0.27 -0.12 2.33 4.15 -0.82 0.52 115.11 121.89 3kip h GLN 38 Ca -0.01 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.28 3kip h GLN 38 Cb 1.18 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 3kip h GLN 38 CO 0.12 0.18 -0.41 0.00 -1.93 0.00 0.00 178.83 176.80 3kip h ALA 39 N 1.54 1.10 0.07 3.38 0.00 -1.41 -3.10 119.26 120.83 3kip h ALA 39 Ca 0.36 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kip h ALA 39 Cb 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3kip h ALA 39 CO -0.45 0.59 -0.03 0.87 0.00 0.00 0.00 179.25 180.23 3kip h LYS 40 N 0.22 -0.09 -0.60 0.00 1.57 -0.62 -3.26 116.57 113.79 3kip h LYS 40 Ca 0.02 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 58.98 3kip h LYS 40 Cb 0.81 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 3kip h LYS 40 CO 0.06 0.45 0.86 1.25 -0.57 0.00 0.00 179.45 181.50 3kip h LEU 41 N -0.73 0.00 -0.26 2.94 6.46 -0.02 0.52 115.31 124.21 3kip h LEU 41 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3kip h LEU 41 Cb 0.59 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 3kip h LEU 41 CO 0.02 0.00 0.00 0.29 -0.62 0.00 0.00 178.44 178.13 3kip n LYS 42 N -3.25 0.11 -4.08 1.25 4.76 -1.22 -4.94 118.16 110.79 3kip n LYS 42 Ca 0.13 0.28 -0.28 0.00 -2.87 0.00 0.00 58.31 55.56 3kip n LYS 42 Cb 1.06 -1.68 -0.04 0.00 -1.84 0.00 0.00 35.03 32.53 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 -1.88 -0.36 -1.93 4.39 5.15 0.18 -4.85 115.26 115.97 3kip n ASN 43 Ca 0.04 -1.08 -0.01 0.00 -0.60 0.00 0.00 54.58 52.92 3kip n ASN 43 Cb 0.25 -2.64 0.03 0.00 -0.53 0.00 0.00 39.78 36.89 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 -2.92 -0.04 -3.38 1.20 0.23 -1.26 -5.01 115.26 104.09 3kip n ASN 44 Ca -0.26 -2.06 -0.18 0.00 -0.53 0.00 0.00 54.58 51.54 3kip n ASN 44 Cb 0.66 0.07 0.07 0.00 -2.08 0.00 0.00 39.78 38.50 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 -0.38 -5.46 -4.95 0.53 8.00 -1.26 -5.03 116.55 108.00 3kip n ASP 45 Ca -0.09 -0.76 -0.21 0.00 0.71 0.00 0.00 54.79 54.44 3kip n ASP 45 Cb 0.88 -4.82 -0.02 0.00 -0.02 0.00 0.00 41.12 37.14 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 -3.60 6.15 -0.16 -2.24 0.01 -1.26 -4.87 113.70 107.74 3kip s SER 46 Ca 0.37 -0.02 -0.11 0.00 1.31 0.00 0.00 55.95 57.50 3kip s SER 46 Cb -0.07 -1.70 0.05 0.00 0.21 0.00 0.00 66.02 64.51 3kip s SER 46 CO 0.76 -0.12 0.40 -0.70 0.41 0.00 0.00 173.24 174.00 3kip s GLU 47 N -3.99 0.43 -0.24 12.44 2.12 0.64 -4.51 118.70 125.59 3kip s GLU 47 Ca 0.35 0.67 -0.03 0.00 0.36 0.00 0.00 54.97 56.32 3kip s GLU 47 Cb -0.09 0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.41 3kip s GLU 47 CO 0.29 -0.11 -0.03 0.08 -0.54 0.00 0.00 175.26 174.95 3kip s VAL 48 N 0.81 3.27 0.10 3.70 1.01 -1.26 -1.19 120.40 126.84 3kip s VAL 48 Ca -0.05 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 3kip s VAL 48 Cb -0.06 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 3kip s VAL 48 CO -0.06 0.30 0.36 -0.76 0.00 0.00 0.00 175.10 174.94 3kip s LEU 49 N 1.43 4.31 0.01 3.92 1.43 0.31 -4.71 118.68 125.38 3kip s LEU 49 Ca 0.03 0.64 0.08 0.00 -1.03 0.00 0.00 54.13 53.86 3kip s LEU 49 Cb -0.15 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.96 3kip s LEU 49 CO -0.03 0.13 -0.25 0.68 0.23 0.00 0.00 176.35 177.11 3kip s VAL 50 N -1.51 1.99 -0.07 -1.59 -7.23 -1.26 0.57 120.40 111.31 3kip s VAL 50 Ca 0.36 -1.17 -0.12 0.00 -1.81 0.00 0.00 61.98 59.23 3kip s VAL 50 Cb -0.13 -1.67 0.03 0.00 0.56 0.00 0.00 36.38 35.16 3kip s VAL 50 CO 0.21 0.47 0.30 0.12 -0.31 0.00 0.00 175.10 175.90 3kip s PHE 51 N -0.67 -0.26 0.00 2.82 5.36 -0.00 -4.96 117.98 120.27 3kip s PHE 51 Ca 0.10 0.56 -0.01 0.00 -0.96 0.00 0.00 56.93 56.62 3kip s PHE 51 Cb -0.10 0.10 -0.00 0.00 -0.34 0.00 0.00 43.02 42.68 3kip s PHE 51 CO 0.00 -0.26 0.02 -1.14 -1.46 0.00 0.00 175.22 172.38 3kip s GLN 52 N -0.51 0.15 0.06 10.12 -0.44 -1.26 -0.94 119.66 126.85 3kip s GLN 52 Ca -0.06 -0.20 -0.21 0.00 -2.50 0.00 0.00 55.36 52.38 3kip s GLN 52 Cb -0.04 0.06 0.05 0.00 -1.64 0.00 0.00 33.01 31.44 3kip s GLN 52 CO 0.02 -0.03 0.50 0.45 0.50 0.00 0.00 175.29 176.74 3kip s SER 53 N -0.55 -0.42 0.10 6.67 0.15 -1.01 -4.99 113.70 113.66 3kip s SER 53 Ca -0.06 0.11 0.23 0.00 0.70 0.00 0.00 55.95 56.93 3kip s SER 53 Cb -0.04 0.49 0.03 0.00 -1.71 0.00 0.00 66.02 64.80 3kip s SER 53 CO -0.00 -0.74 1.02 0.59 1.20 0.00 0.00 173.24 175.31 3kip n ASN 54 N 0.33 0.64 -4.65 5.45 3.02 -1.26 -2.29 115.26 116.49 3kip n ASN 54 Ca -0.18 0.05 -0.40 0.00 -0.03 0.00 0.00 54.58 54.01 3kip n ASN 54 Cb 0.61 0.71 -0.06 0.00 -0.61 0.00 0.00 39.78 40.43 3kip n ASN 54 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kip s THR 55 N -3.28 4.99 0.13 3.41 2.01 -1.26 -4.61 115.64 117.02 3kip s THR 55 Ca 0.01 1.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.92 3kip s THR 55 Cb 0.13 -3.96 -0.07 0.00 0.01 0.00 0.00 72.50 68.61 3kip s THR 55 CO 0.80 0.07 1.58 -0.08 -0.69 0.00 0.00 174.62 176.30 3kip h GLU 56 N 7.63 -0.52 -0.80 4.92 4.81 -2.00 -1.50 114.58 127.12 3kip h GLU 56 Ca -0.29 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.03 3kip h GLU 56 Cb 1.13 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.58 3kip h GLU 56 CO 0.78 -0.35 0.52 0.78 -0.73 0.00 0.00 179.01 180.02 3kip h GLY 57 N -0.54 1.11 1.31 1.92 0.00 -1.99 0.57 103.07 105.44 3kip h GLY 57 Ca 0.06 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 3kip h GLY 57 CO -0.35 0.27 -0.06 0.74 0.00 0.00 0.00 176.54 177.14 3kip h PHE 58 N 0.89 0.90 -0.55 5.60 0.04 -1.80 0.37 116.94 122.39 3kip h PHE 58 Ca 0.34 -0.15 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 3kip h PHE 58 Cb 0.20 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 3kip h PHE 58 CO -0.00 0.86 0.22 0.82 -0.60 0.00 0.00 178.31 179.61 3kip h ILE 59 N 0.76 1.22 0.63 -0.55 2.04 0.05 0.11 117.51 121.77 3kip h ILE 59 Ca 0.14 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 3kip h ILE 59 Cb 0.55 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3kip h ILE 59 CO 0.03 0.26 -0.40 0.40 0.00 0.00 0.00 178.15 178.44 3kip h ILE 60 N 0.76 0.19 -0.95 -0.67 2.04 -0.67 -1.05 117.51 117.15 3kip h ILE 60 Ca 0.19 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.28 3kip h ILE 60 Cb 0.20 0.19 -0.18 0.00 -0.74 0.00 0.00 36.82 36.28 3kip h ILE 60 CO -0.02 0.00 -0.09 0.47 0.00 0.00 0.00 178.15 178.52 3kip n ASP 61 N -5.53 -0.21 -0.01 1.72 8.00 0.13 -1.04 116.55 119.60 3kip n ASP 61 Ca -0.13 1.62 -0.08 0.00 0.71 0.00 0.00 54.79 56.92 3kip n ASP 61 Cb 0.42 -0.55 0.09 0.00 -0.02 0.00 0.00 41.12 41.06 3kip n ASP 61 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3kip h ARG 62 N 0.00 0.59 -0.14 -1.24 9.65 0.12 -1.75 114.38 121.61 3kip h ARG 62 Ca 0.53 -0.31 -0.15 0.00 -1.10 0.00 0.00 59.98 58.95 3kip h ARG 62 Cb 0.98 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.56 3kip h ARG 62 CO -0.93 0.90 -0.55 0.82 2.80 0.00 0.00 179.97 183.01 3kip h ILE 63 N 0.48 1.34 -0.28 1.20 2.04 0.16 -0.67 117.51 121.78 3kip h ILE 63 Ca 0.04 -1.82 -0.01 0.00 1.00 0.00 0.00 64.86 64.07 3kip h ILE 63 Cb 0.93 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 3kip h ILE 63 CO 0.08 0.55 0.15 0.45 0.00 0.00 0.00 178.15 179.38 3kip h HIS 64 N 0.32 0.38 -0.76 1.37 3.86 -0.55 -2.85 115.15 116.93 3kip h HIS 64 Ca 0.01 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3kip h HIS 64 Cb 1.06 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 29.37 3kip h HIS 64 CO 0.03 0.33 0.45 1.49 0.86 0.00 0.00 177.93 181.09 3kip h GLU 65 N 0.33 1.02 -0.77 2.45 4.57 -1.01 -1.30 114.58 119.87 3kip h GLU 65 Ca 0.10 -0.09 0.14 0.00 -1.18 0.00 0.00 59.36 58.33 3kip h GLU 65 Cb 0.07 -0.22 -0.10 0.00 -0.16 0.00 0.00 28.75 28.35 3kip h GLU 65 CO -0.01 0.72 0.33 0.00 -1.18 0.00 0.00 179.01 178.86 3kip h ALA 66 N 1.46 1.11 -0.22 2.92 0.00 -0.90 0.04 119.26 123.67 3kip h ALA 66 Ca 0.27 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.19 3kip h ALA 66 Cb -0.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3kip h ALA 66 CO -0.05 -0.19 -0.32 -0.22 0.00 0.00 0.00 179.25 178.47 3kip h LYS 67 N 0.48 0.46 -0.42 0.00 3.64 -1.08 -2.26 116.57 117.38 3kip h LYS 67 Ca 0.43 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3kip h LYS 67 Cb 0.64 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 3kip h LYS 67 CO -0.40 0.73 0.26 0.00 -2.27 0.00 0.00 179.45 177.77 3kip h ARG 68 N 0.39 0.56 0.00 1.90 3.08 -0.89 -2.71 114.38 116.71 3kip h ARG 68 Ca 0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3kip h ARG 68 Cb 0.75 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3kip h ARG 68 CO 0.06 0.38 0.00 1.96 -1.07 0.00 0.00 179.97 181.30 3kip h GLN 69 N 0.57 0.00 0.00 0.04 4.20 -0.80 -3.47 115.11 115.65 3kip h GLN 69 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3kip h GLN 69 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3kip h GLN 69 CO -0.03 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.54 3kip n GLY 70 N 1.20 0.66 3.68 3.46 0.00 -0.97 -5.00 105.19 108.22 3kip n GLY 70 Ca 0.05 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.00 2.99 -2.21 1.61 1.01 -0.89 -4.70 120.40 116.21 3kip s VAL 71 Ca 0.00 0.29 0.25 0.00 0.00 0.00 0.00 61.98 62.52 3kip s VAL 71 Cb 0.00 -3.19 0.18 0.00 0.00 0.00 0.00 36.38 33.37 3kip s VAL 71 CO 0.00 -0.01 1.34 0.61 0.00 0.00 0.00 175.10 177.04 3kip n GLY 72 N 4.22 0.05 3.55 4.51 0.00 0.33 -4.76 105.19 113.09 3kip n GLY 72 Ca 0.18 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.33 -0.54 -0.04 1.61 2.19 -1.20 -4.44 117.98 113.25 3kip s PHE 73 Ca 0.25 0.96 0.04 0.00 0.33 0.00 0.00 56.93 58.50 3kip s PHE 73 Cb 0.19 0.42 -0.00 0.00 -1.31 0.00 0.00 43.02 42.32 3kip s PHE 73 CO 0.47 -0.47 -0.15 0.08 1.83 0.00 0.00 175.22 176.98 3kip s VAL 74 N -1.02 1.25 -0.22 3.12 1.01 -0.58 -1.19 120.40 122.78 3kip s VAL 74 Ca -0.06 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 3kip s VAL 74 Cb -0.01 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 3kip s VAL 74 CO 0.05 0.37 -0.05 -0.69 0.00 0.00 0.00 175.10 174.78 3kip s VAL 75 N 0.06 3.28 -0.07 2.92 1.01 -0.74 -1.65 120.40 125.20 3kip s VAL 75 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3kip s VAL 75 Cb -0.10 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.81 3kip s VAL 75 CO 0.02 0.42 -0.05 -0.51 0.00 0.00 0.00 175.10 174.98 3kip s ILE 76 N 1.46 0.68 -0.37 2.22 2.07 -0.56 -0.64 121.20 126.07 3kip s ILE 76 Ca 0.06 -0.15 -0.06 0.00 -1.41 0.00 0.00 60.65 59.09 3kip s ILE 76 Cb -0.14 -0.72 0.07 0.00 0.13 0.00 0.00 42.46 41.80 3kip s ILE 76 CO -0.04 0.28 0.15 0.21 -1.91 0.00 0.00 174.94 173.63 3kip s ASN 77 N 1.26 5.32 0.00 4.50 3.84 -0.67 -1.10 114.94 128.09 3kip s ASN 77 Ca -0.05 -1.47 0.30 0.00 0.21 0.00 0.00 52.86 51.85 3kip s ASN 77 Cb -0.14 -1.87 1.54 0.00 -0.55 0.00 0.00 41.25 40.23 3kip s ASN 77 CO -0.02 -0.43 2.03 0.00 -2.79 0.00 0.00 177.10 175.89 3kip n ALA 78 N 4.76 2.66 -0.46 1.71 0.00 -1.26 -0.67 120.51 127.25 3kip n ALA 78 Ca -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3kip n ALA 78 Cb 0.43 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.12 2.53 0.36 0.00 0.00 -1.26 -1.70 105.19 106.24 3kip n GLY 79 Ca 0.20 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.46 1.66 0.00 4.61 0.00 -1.95 -1.32 119.26 121.81 3kip h ALA 80 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kip h ALA 80 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kip h ALA 80 CO 0.00 0.02 0.12 1.88 0.00 0.00 0.00 179.25 181.26 3kip h TYR 81 N 0.82 0.00 -0.35 0.00 0.05 -1.71 0.46 116.97 116.24 3kip h TYR 81 Ca 0.54 0.00 0.08 0.00 0.05 0.00 0.00 58.73 59.40 3kip h TYR 81 Cb 0.77 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.49 3kip h TYR 81 CO -0.00 0.00 0.24 1.15 -1.05 0.00 0.00 178.16 178.50 3kip h THR 82 N 0.00 0.89 -0.00 -2.88 2.02 -1.35 0.64 112.91 112.23 3kip h THR 82 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3kip h THR 82 Cb 0.23 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3kip h THR 82 CO 0.00 0.02 -0.66 1.41 0.37 0.00 0.00 175.52 176.67 3kip n HIS 83 N -4.46 0.00 0.00 3.16 8.25 0.15 0.22 115.22 122.54 3kip n HIS 83 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3kip n HIS 83 Cb 0.33 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 -1.08 0.00 -3.32 1.59 -2.24 -0.69 -4.78 114.28 103.76 3kip n THR 84 Ca 0.07 -0.10 -0.46 0.00 -2.27 0.00 0.00 64.05 61.29 3kip n THR 84 Cb 0.36 0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 69.21 3kip n THR 84 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kip s SER 85 N -0.47 6.33 0.26 3.42 0.15 0.13 -4.82 113.70 118.70 3kip s SER 85 Ca 0.00 -2.05 0.14 0.00 0.70 0.00 0.00 55.95 54.75 3kip s SER 85 Cb 0.00 -2.20 0.03 0.00 -1.71 0.00 0.00 66.02 62.14 3kip s SER 85 CO 0.00 -0.77 1.41 0.58 1.20 0.00 0.00 173.24 175.66 3kip h VAL 86 N 5.59 0.94 -0.26 4.45 2.07 -1.95 -3.10 116.25 123.98 3kip h VAL 86 Ca -0.18 -2.33 -0.14 0.00 0.82 0.00 0.00 66.70 64.87 3kip h VAL 86 Cb 1.08 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 3kip h VAL 86 CO 0.95 0.53 -0.41 1.23 0.02 0.00 0.00 177.57 179.90 3kip h GLY 87 N 3.46 0.69 1.11 2.17 0.00 -1.98 -1.26 103.07 107.26 3kip h GLY 87 Ca -0.01 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 3kip h GLY 87 CO 0.07 0.62 0.45 -2.22 0.00 0.00 0.00 176.54 175.47 3kip h ILE 88 N 0.52 1.24 -0.18 2.60 2.04 -1.91 -1.15 117.51 120.68 3kip h ILE 88 Ca 0.04 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.31 3kip h ILE 88 Cb 0.92 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3kip h ILE 88 CO 0.08 0.28 0.05 -0.09 0.00 0.00 0.00 178.15 178.46 3kip h ARG 89 N 1.17 0.12 0.00 2.37 2.43 -1.29 -1.42 114.38 117.75 3kip h ARG 89 Ca 0.29 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.40 3kip h ARG 89 Cb 0.03 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3kip h ARG 89 CO -0.05 0.08 -0.27 -0.44 -1.51 0.00 0.00 179.97 177.78 3kip h ASP 90 N 0.12 0.00 -0.33 -3.80 3.32 -1.10 0.78 116.42 115.42 3kip h ASP 90 Ca 0.08 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 3kip h ASP 90 Cb 0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3kip h ASP 90 CO -0.09 0.27 -0.09 0.00 -1.72 0.00 0.00 179.24 177.61 3kip h ALA 91 N 1.73 0.45 -0.24 3.45 0.00 -0.51 0.70 119.26 124.83 3kip h ALA 91 Ca -0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3kip h ALA 91 Cb 0.69 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3kip h ALA 91 CO 0.04 0.30 0.01 -0.07 0.00 0.00 0.00 179.25 179.52 3kip h LEU 92 N 0.42 0.42 -0.50 0.00 3.38 -0.59 -1.88 115.31 116.55 3kip h LEU 92 Ca 0.08 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 3kip h LEU 92 Cb 0.59 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3kip h LEU 92 CO 0.03 0.61 0.16 -0.07 0.09 0.00 0.00 178.44 179.27 3kip h LEU 93 N 0.21 0.72 -1.38 1.67 3.38 -0.84 -0.56 115.31 118.50 3kip h LEU 93 Ca 0.07 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3kip h LEU 93 Cb 0.40 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3kip h LEU 93 CO 0.01 0.73 0.44 1.23 0.09 0.00 0.00 178.44 180.94 3kip h GLY 94 N 0.67 0.92 -0.40 0.83 0.00 0.51 -1.74 103.07 103.85 3kip h GLY 94 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3kip h GLY 94 CO -0.01 0.28 -0.59 -1.30 0.00 0.00 0.00 176.54 174.93 3kip n THR 95 N -4.46 0.00 -3.69 4.70 -2.24 -0.72 -4.98 114.28 102.89 3kip n THR 95 Ca 0.08 -0.15 -0.24 0.00 -2.27 0.00 0.00 64.05 61.47 3kip n THR 95 Cb 0.12 0.99 0.05 0.00 -2.10 0.00 0.00 70.33 69.39 3kip n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kip n ALA 96 N -0.62 -1.55 -2.72 6.98 0.00 -0.24 -4.96 120.51 117.40 3kip n ALA 96 Ca 0.08 0.15 -0.36 0.00 0.00 0.00 0.00 53.44 53.31 3kip n ALA 96 Cb 0.40 -4.00 -0.10 0.00 0.00 0.00 0.00 19.45 15.75 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 -3.39 5.12 0.65 0.00 1.01 -1.08 -5.05 121.20 118.46 3kip s ILE 97 Ca 0.41 0.10 -0.17 0.00 0.00 0.00 0.00 60.65 60.99 3kip s ILE 97 Cb -0.19 -3.39 -0.00 0.00 0.01 0.00 0.00 42.46 38.89 3kip s ILE 97 CO 0.78 0.34 1.18 -2.16 0.00 0.00 0.00 174.94 175.08 3kip s PRO 98 N 1.17 2.65 0.06 2.79 0.04 -1.26 -4.81 135.00 135.64 3kip s PRO 98 Ca 0.07 1.69 -0.14 0.00 0.04 0.00 0.00 61.00 62.66 3kip s PRO 98 Cb -0.14 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.52 3kip s PRO 98 CO 0.05 -1.42 0.31 -0.59 0.04 0.00 0.00 177.00 175.39 3kip s PHE 99 N -1.92 -0.09 -0.11 0.56 -0.71 -1.26 -1.53 117.98 112.92 3kip s PHE 99 Ca 0.74 -0.11 0.02 0.00 -1.04 0.00 0.00 56.93 56.53 3kip s PHE 99 Cb -0.27 0.11 -0.01 0.00 -1.21 0.00 0.00 43.02 41.64 3kip s PHE 99 CO 0.39 -0.55 -0.18 0.42 -1.34 0.00 0.00 175.22 173.96 3kip s ILE 100 N -2.96 2.56 -0.06 -4.49 1.01 -0.66 0.41 121.20 117.01 3kip s ILE 100 Ca -0.02 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 59.57 3kip s ILE 100 Cb 0.01 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 3kip s ILE 100 CO -0.06 0.54 0.64 -0.70 0.00 0.00 0.00 174.94 175.36 3kip s GLU 101 N 0.34 4.40 -0.07 2.79 2.12 -0.21 -1.50 118.70 126.57 3kip s GLU 101 Ca -0.15 0.77 0.04 0.00 0.36 0.00 0.00 54.97 55.99 3kip s GLU 101 Cb -0.17 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 3kip s GLU 101 CO 0.07 0.14 -0.21 0.08 -0.54 0.00 0.00 175.26 174.80 3kip s VAL 102 N 0.58 2.43 -0.16 3.70 1.01 -0.26 -0.97 120.40 126.73 3kip s VAL 102 Ca 0.34 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3kip s VAL 102 Cb -0.17 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.30 3kip s VAL 102 CO 0.16 0.57 -0.17 -1.00 0.00 0.00 0.00 175.10 174.66 3kip s HIS 103 N -0.15 2.47 0.24 5.22 3.76 -0.54 -4.22 115.29 122.07 3kip s HIS 103 Ca -0.03 -1.42 -0.07 0.00 -0.15 0.00 0.00 55.06 53.39 3kip s HIS 103 Cb -0.14 -1.75 0.42 0.00 1.11 0.00 0.00 32.58 32.22 3kip s HIS 103 CO 0.04 -0.73 1.65 0.82 -0.85 0.00 0.00 174.74 175.67 3kip h ILE 104 N 5.99 0.39 -1.93 0.60 2.04 -1.87 -0.92 117.51 121.81 3kip h ILE 104 Ca -0.41 -0.05 -0.52 0.00 1.00 0.00 0.00 64.86 64.88 3kip h ILE 104 Cb 1.14 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 3kip h ILE 104 CO 0.58 0.02 -0.51 0.42 0.00 0.00 0.00 178.15 178.67 3kip s THR 105 N -6.10 3.42 -0.81 -0.27 -4.23 -1.26 -1.95 115.64 104.44 3kip s THR 105 Ca -0.13 -1.55 -0.26 0.00 -1.18 0.00 0.00 61.69 58.57 3kip s THR 105 Cb 0.22 -3.10 0.03 0.00 1.34 0.00 0.00 72.50 70.99 3kip s THR 105 CO 0.75 -0.21 1.32 0.21 -0.54 0.00 0.00 174.62 176.15 3kip s ASN 106 N -3.89 6.24 0.55 3.99 3.04 -1.26 -3.10 114.94 120.51 3kip s ASN 106 Ca 0.38 -0.69 0.23 0.00 0.04 0.00 0.00 52.86 52.82 3kip s ASN 106 Cb -0.05 -2.56 1.50 0.00 -1.54 0.00 0.00 41.25 38.60 3kip s ASN 106 CO 0.24 -1.76 2.16 1.62 -3.04 0.00 0.00 177.10 176.32 3kip h VAL 107 N 6.21 0.77 0.00 -5.21 3.04 -1.91 -0.56 116.25 118.58 3kip h VAL 107 Ca -0.17 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 3kip h VAL 107 Cb 1.04 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 3kip h VAL 107 CO 1.31 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 179.28 3kip n HIS 108 N -4.23 0.17 1.17 3.17 8.25 -1.26 -1.45 115.22 121.04 3kip n HIS 108 Ca -0.01 0.08 0.12 0.00 -0.26 0.00 0.00 57.72 57.65 3kip n HIS 108 Cb 0.17 -0.63 0.24 0.00 1.12 0.00 0.00 29.99 30.88 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 -1.67 1.24 0.00 -0.41 6.02 -0.22 -4.97 117.38 117.37 3kip n GLN 109 Ca 0.01 -0.89 0.00 0.00 -0.01 0.00 0.00 57.00 56.11 3kip n GLN 109 Cb 0.06 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.84 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 -0.10 3.69 -1.76 -1.09 1.74 -0.53 -5.07 116.66 113.53 3kip n ARG 110 Ca 0.12 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.80 3kip n ARG 110 Cb 0.42 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.88 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 0.00 2.26 -0.37 5.56 4.71 -1.26 -4.85 120.64 126.69 3kip n GLU 111 Ca 0.00 0.80 0.34 0.00 -0.01 0.00 0.00 57.16 58.29 3kip n GLU 111 Cb 0.00 -2.63 0.68 0.00 -1.01 0.00 0.00 31.44 28.48 3kip n GLU 111 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3kip h PRO 112 N 2.30 0.12 0.00 3.49 0.11 -1.96 0.32 132.00 136.37 3kip h PRO 112 Ca -0.51 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 3kip h PRO 112 Cb 1.27 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kip h PRO 112 CO 0.61 0.08 -0.10 0.27 -0.21 0.00 0.00 178.00 178.65 3kip h PHE 113 N 0.12 0.00 -0.00 0.65 -5.15 -1.97 -2.26 116.94 108.32 3kip h PHE 113 Ca 0.64 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.41 3kip h PHE 113 Cb 2.23 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.40 3kip h PHE 113 CO -0.00 0.10 -0.03 0.54 -2.00 0.00 0.00 178.31 176.91 3kip n ARG 114 N -3.41 0.75 0.17 6.09 1.74 0.10 -3.06 116.66 119.05 3kip n ARG 114 Ca -0.01 -0.12 0.05 0.00 -0.77 0.00 0.00 57.85 57.00 3kip n ARG 114 Cb 0.26 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.36 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 0.29 0.00 -3.81 -1.55 3.86 -1.50 -3.45 115.15 108.99 3kip h HIS 115 Ca 0.00 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.72 3kip h HIS 115 Cb 0.23 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3kip h HIS 115 CO 0.00 0.37 0.38 -0.65 0.86 0.00 0.00 177.93 178.90 3kip s GLN 116 N -3.18 4.69 -0.01 2.45 -1.52 -1.17 -5.07 119.66 115.84 3kip s GLN 116 Ca 0.03 1.53 -0.01 0.00 -1.95 0.00 0.00 55.36 54.96 3kip s GLN 116 Cb 0.08 -3.09 0.00 0.00 -0.22 0.00 0.00 33.01 29.79 3kip s GLN 116 CO 0.71 0.34 0.02 0.45 -0.25 0.00 0.00 175.29 176.56 3kip s SER 117 N -1.24 -0.02 0.00 5.90 0.15 -1.26 -4.49 113.70 112.74 3kip s SER 117 Ca 0.45 0.04 0.21 0.00 0.70 0.00 0.00 55.95 57.35 3kip s SER 117 Cb -0.25 0.04 0.85 0.00 -1.71 0.00 0.00 66.02 64.95 3kip s SER 117 CO 0.32 -0.01 1.60 -1.22 1.20 0.00 0.00 173.24 175.12 3kip n TYR 118 N 3.12 0.15 -0.09 3.44 4.01 0.13 -4.24 117.16 123.68 3kip n TYR 118 Ca -0.13 -0.08 -0.11 0.00 -0.16 0.00 0.00 57.90 57.43 3kip n TYR 118 Cb 0.59 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.52 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 0.05 1.78 -0.30 7.72 4.77 -1.26 -4.73 117.00 125.03 3kip n LEU 119 Ca 0.16 -0.06 0.14 0.00 -0.03 0.00 0.00 56.01 56.22 3kip n LEU 119 Cb 0.27 -0.26 0.31 0.00 -2.33 0.00 0.00 43.42 41.41 3kip n LEU 119 CO 0.13 0.65 0.98 0.28 -1.33 0.00 0.00 177.39 178.10 3kip h SER 120 N 0.00 0.13 1.03 -1.43 0.02 -1.93 0.56 113.55 111.93 3kip h SER 120 Ca -0.43 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 3kip h SER 120 Cb 1.78 0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.54 3kip h SER 120 CO -0.03 -0.12 -0.15 -0.90 -1.14 0.00 0.00 176.83 174.49 3kip n ASP 121 N -5.17 0.36 -0.86 3.07 5.75 -1.26 -2.09 116.55 116.35 3kip n ASP 121 Ca 0.23 0.36 0.10 0.00 -0.01 0.00 0.00 54.79 55.46 3kip n ASP 121 Cb 0.71 -0.38 0.12 0.00 -1.03 0.00 0.00 41.12 40.54 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 -1.76 1.96 -1.72 0.11 4.76 0.04 -5.03 118.16 116.52 3kip n LYS 122 Ca 0.06 -1.85 -0.31 0.00 -2.87 0.00 0.00 58.31 53.34 3kip n LYS 122 Cb 0.37 -1.40 0.04 0.00 -1.84 0.00 0.00 35.03 32.21 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 -1.50 2.78 -0.01 7.82 0.00 -0.33 -4.79 121.76 125.73 3kip s ALA 123 Ca 0.27 -0.10 -0.23 0.00 0.00 0.00 0.00 51.96 51.90 3kip s ALA 123 Cb 0.17 -3.10 -0.19 0.00 0.00 0.00 0.00 23.12 20.00 3kip s ALA 123 CO 0.25 -1.13 1.20 0.28 0.00 0.00 0.00 175.76 176.37 3kip h VAL 124 N -0.65 1.43 -4.15 0.00 2.07 -0.38 -3.47 116.25 111.11 3kip h VAL 124 Ca -0.45 -1.54 -0.13 0.00 0.82 0.00 0.00 66.70 65.41 3kip h VAL 124 Cb 1.22 2.28 -0.14 0.00 -1.52 0.00 0.00 31.29 33.13 3kip h VAL 124 CO 0.60 0.43 -0.56 0.00 0.02 0.00 0.00 177.57 178.06 3kip s ALA 125 N -3.82 0.38 -0.22 1.67 0.00 -1.26 -5.06 121.76 113.44 3kip s ALA 125 Ca -0.15 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.72 3kip s ALA 125 Cb 0.03 0.55 0.05 0.00 0.00 0.00 0.00 23.12 23.75 3kip s ALA 125 CO 0.74 -0.47 -0.11 0.08 0.00 0.00 0.00 175.76 176.00 3kip s VAL 126 N -3.95 1.87 -0.25 0.00 1.01 -1.26 -1.04 120.40 116.78 3kip s VAL 126 Ca 0.12 -1.26 -0.09 0.00 0.00 0.00 0.00 61.98 60.76 3kip s VAL 126 Cb 0.07 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3kip s VAL 126 CO -0.06 0.11 0.13 -0.63 0.00 0.00 0.00 175.10 174.65 3kip s ILE 127 N 1.28 4.93 -0.11 2.22 1.01 -0.15 -5.00 121.20 125.38 3kip s ILE 127 Ca -0.04 0.03 -0.10 0.00 0.00 0.00 0.00 60.65 60.55 3kip s ILE 127 Cb -0.18 -3.31 0.03 0.00 0.01 0.00 0.00 42.46 39.02 3kip s ILE 127 CO -0.07 0.32 0.30 0.00 0.00 0.00 0.00 174.94 175.49 3kip n GLY 129 N 3.08 0.94 1.07 0.00 0.00 -0.35 -4.65 105.19 105.29 3kip n GLY 129 Ca -0.14 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 3.21 0.00 0.99 7.94 -1.18 -4.70 117.00 123.25 3kip n LEU 130 Ca 0.00 -1.39 0.00 0.00 -1.11 0.00 0.00 56.01 53.51 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 0.69 0.00 0.61 -1.11 0.00 0.00 177.39 177.58 3kip n GLY 131 N 1.46 -1.17 0.25 -3.96 0.00 -0.82 -3.28 105.19 97.67 3kip n GLY 131 Ca 0.19 -1.25 -0.01 0.00 0.00 0.00 0.00 46.02 44.96 3kip n GLY 131 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kip h VAL 132 N 0.00 1.22 -0.93 1.61 2.07 -1.96 -1.27 116.25 116.99 3kip h VAL 132 Ca 0.00 -0.98 0.27 0.00 0.82 0.00 0.00 66.70 66.81 3kip h VAL 132 Cb 0.00 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3kip h VAL 132 CO 0.00 0.32 0.79 0.22 0.02 0.00 0.00 177.57 178.92 3kip h TYR 133 N 0.41 0.00 -0.59 1.57 3.20 -1.99 -0.16 116.97 119.41 3kip h TYR 133 Ca 0.08 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.07 3kip h TYR 133 Cb 0.48 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 38.64 3kip h TYR 133 CO 0.01 0.00 -0.11 0.78 -1.64 0.00 0.00 178.16 177.20 3kip h GLY 134 N 0.00 0.48 0.60 1.82 0.00 -1.21 0.61 103.07 105.37 3kip h GLY 134 Ca 0.44 0.17 0.07 0.00 0.00 0.00 0.00 47.33 48.01 3kip h GLY 134 CO -0.00 -0.22 0.32 -0.97 0.00 0.00 0.00 176.54 175.66 3kip h TYR 135 N 0.03 0.57 0.12 5.60 0.05 -1.21 -2.15 116.97 119.98 3kip h TYR 135 Ca 0.29 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.10 3kip h TYR 135 Cb 0.45 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 3kip h TYR 135 CO -0.45 0.24 -0.09 1.15 -1.05 0.00 0.00 178.16 177.96 3kip h THR 136 N 0.58 0.80 -0.68 -2.88 2.02 -0.98 -0.54 112.91 111.22 3kip h THR 136 Ca 0.29 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.53 3kip h THR 136 Cb 0.24 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 3kip h THR 136 CO -0.21 0.00 0.45 0.00 0.37 0.00 0.00 175.52 176.12 3kip h ALA 137 N 0.66 1.72 -0.09 6.16 0.00 -1.11 -0.77 119.26 125.83 3kip h ALA 137 Ca -0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3kip h ALA 137 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kip h ALA 137 CO -0.01 0.18 -0.61 0.00 0.00 0.00 0.00 179.25 178.82 3kip h ALA 138 N 1.63 0.79 -0.05 0.00 0.00 -0.65 -1.90 119.26 119.08 3kip h ALA 138 Ca 0.29 -0.54 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 3kip h ALA 138 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kip h ALA 138 CO -0.09 0.72 -0.73 0.82 0.00 0.00 0.00 179.25 179.97 3kip h ILE 139 N 0.24 1.41 -0.28 0.00 2.04 -0.31 -1.39 117.51 119.23 3kip h ILE 139 Ca -0.01 -2.23 -0.03 0.00 1.00 0.00 0.00 64.86 63.59 3kip h ILE 139 Cb 1.13 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 39.38 3kip h ILE 139 CO 0.10 0.66 0.04 -0.33 0.00 0.00 0.00 178.15 178.62 3kip h GLU 140 N 0.19 0.46 -0.83 2.37 4.39 -1.00 -0.82 114.58 119.34 3kip h GLU 140 Ca -0.03 -0.12 0.04 0.00 0.34 0.00 0.00 59.36 59.58 3kip h GLU 140 Cb 1.30 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.85 3kip h GLU 140 CO 0.12 0.58 0.53 -0.92 -1.16 0.00 0.00 179.01 178.16 3kip h TYR 141 N 0.28 1.00 0.08 4.33 5.03 -1.25 -2.65 116.97 123.78 3kip h TYR 141 Ca 0.08 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.42 3kip h TYR 141 Cb 0.34 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.29 3kip h TYR 141 CO 0.02 0.57 -0.04 0.00 -1.32 0.00 0.00 178.16 177.39 3kip h ALA 142 N 1.35 -0.10 0.00 1.82 0.00 -0.82 -1.80 119.26 119.71 3kip h ALA 142 Ca 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3kip h ALA 142 Cb 0.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kip h ALA 142 CO -0.12 -0.53 0.00 1.28 0.00 0.00 0.00 179.25 179.88 3kip n LEU 143 N -5.11 0.01 -0.98 0.00 4.77 -0.35 -1.44 117.00 113.91 3kip n LEU 143 Ca -0.08 0.50 0.10 0.00 -0.03 0.00 0.00 56.01 56.51 3kip n LEU 143 Cb 0.09 -0.50 0.18 0.00 -2.33 0.00 0.00 43.42 40.85 3kip n LEU 143 CO 0.34 -0.30 0.65 0.59 -1.33 0.00 0.00 177.39 177.34 3kip n ASN 144 N -1.51 3.16 -4.85 -1.43 4.13 -0.70 -4.55 115.26 109.50 3kip n ASN 144 Ca 0.03 -1.92 -0.32 0.00 1.68 0.00 0.00 54.58 54.05 3kip n ASN 144 Cb 0.14 -0.20 -0.06 0.00 -1.54 0.00 0.00 39.78 38.12 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 -1.36 3.38 -2.39 3.10 5.04 -0.52 -4.92 117.35 119.68 3kip s TYR 145 Ca 0.32 1.20 0.29 0.00 -2.44 0.00 0.00 57.07 56.44 3kip s TYR 145 Cb 0.19 -2.53 1.23 0.00 0.35 0.00 0.00 41.96 41.21 3kip s TYR 145 CO 0.27 0.07 1.85 1.04 -1.34 0.00 0.00 175.55 177.43