#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 4.77 -0.12 4.08 1.01 -0.61 -4.90 120.40 124.63 3kip s VAL 1 Ca 0.00 0.97 -0.06 0.00 0.00 0.00 0.00 61.98 62.89 3kip s VAL 1 Cb 0.00 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 3kip s VAL 1 CO 0.00 0.24 -0.16 0.29 0.00 0.00 0.00 175.10 175.47 3kip n LYS 2 N 0.79 0.26 -3.64 2.72 4.76 -1.26 -4.78 118.16 117.00 3kip n LYS 2 Ca -0.04 0.11 -0.37 0.00 -2.87 0.00 0.00 58.31 55.14 3kip n LYS 2 Cb 0.52 -0.93 -0.10 0.00 -1.84 0.00 0.00 35.03 32.68 3kip n LYS 2 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3kip s LYS 3 N -2.22 4.04 0.02 1.97 1.02 -1.26 0.00 119.74 123.31 3kip s LYS 3 Ca -0.17 -0.28 0.08 0.00 0.02 0.00 0.00 55.97 55.62 3kip s LYS 3 Cb 0.07 -3.57 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 3kip s LYS 3 CO 0.21 0.00 -0.25 0.08 -0.92 0.00 0.00 175.35 174.48 3kip s VAL 4 N 1.23 2.23 -0.22 3.17 1.01 0.05 -1.48 120.40 126.39 3kip s VAL 4 Ca 0.07 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 60.83 3kip s VAL 4 Cb -0.14 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.44 3kip s VAL 4 CO 0.06 0.45 -0.15 -0.22 0.00 0.00 0.00 175.10 175.24 3kip s LEU 5 N -1.02 2.69 -0.25 3.92 2.96 -0.44 -0.30 118.68 126.24 3kip s LEU 5 Ca 0.11 -0.99 -0.21 0.00 -0.22 0.00 0.00 54.13 52.82 3kip s LEU 5 Cb -0.10 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 3kip s LEU 5 CO 0.01 -0.10 0.68 -0.22 -1.32 0.00 0.00 176.35 175.40 3kip s LEU 6 N 1.23 4.07 -0.14 -0.68 2.96 0.47 -1.90 118.68 124.68 3kip s LEU 6 Ca -0.02 0.78 -0.01 0.00 -0.22 0.00 0.00 54.13 54.66 3kip s LEU 6 Cb -0.16 -2.94 -0.02 0.00 0.50 0.00 0.00 46.19 43.57 3kip s LEU 6 CO -0.09 -0.41 -0.10 -0.63 -1.32 0.00 0.00 176.35 173.80 3kip s ILE 7 N 2.59 3.30 -0.08 6.68 1.01 -0.35 -0.01 121.20 134.35 3kip s ILE 7 Ca 0.28 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.39 3kip s ILE 7 Cb -0.15 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 3kip s ILE 7 CO 0.08 0.51 -0.14 0.20 0.00 0.00 0.00 174.94 175.59 3kip s ASN 8 N 0.40 3.99 0.00 3.58 -0.87 0.22 -0.74 114.94 121.52 3kip s ASN 8 Ca -0.08 -0.25 0.00 0.00 -1.57 0.00 0.00 52.86 50.95 3kip s ASN 8 Cb -0.15 -1.12 0.00 0.00 -0.02 0.00 0.00 41.25 39.95 3kip s ASN 8 CO 0.05 0.28 0.00 0.61 -2.57 0.00 0.00 177.10 175.46 3kip n GLY 9 N 2.77 0.47 3.73 0.66 0.00 0.24 -2.55 105.19 110.51 3kip n GLY 9 Ca -0.18 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 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 0.93 1.54 0.00 1.61 0.04 -1.13 -3.39 135.00 134.60 3kip s PRO 10 Ca 0.00 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.04 3kip s PRO 10 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.71 3kip s PRO 10 CO 0.00 -2.09 0.00 0.09 0.04 0.00 0.00 177.00 175.04 3kip n ASN 11 N -3.81 0.00 0.24 6.66 3.02 -1.26 -4.62 115.26 115.49 3kip n ASN 11 Ca 0.08 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.80 3kip n ASN 11 Cb 0.54 -0.07 0.79 0.00 -0.61 0.00 0.00 39.78 40.43 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 -0.61 3.41 3.38 -1.92 0.43 115.31 119.99 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 -3.21 0.51 -0.54 -0.43 0.23 -1.26 -1.59 115.26 108.96 3kip n ASN 13 Ca 0.01 0.64 0.10 0.00 -0.53 0.00 0.00 54.58 54.80 3kip n ASN 13 Cb 0.47 -0.74 0.36 0.00 -2.08 0.00 0.00 39.78 37.78 3kip n ASN 13 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3kip n LEU 14 N -2.08 1.61 -4.66 -4.53 4.77 0.15 -4.72 117.00 107.55 3kip n LEU 14 Ca 0.02 -0.69 -0.53 0.00 -0.03 0.00 0.00 56.01 54.78 3kip n LEU 14 Cb 0.19 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3kip n LEU 14 CO 0.17 0.34 1.17 0.18 -1.33 0.00 0.00 177.39 177.92 3kip n LEU 15 N 0.29 2.32 0.00 2.23 4.77 -0.62 0.49 117.00 126.47 3kip n LEU 15 Ca 0.15 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.21 3kip n LEU 15 Cb 0.31 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 3kip n LEU 15 CO 0.12 -0.61 0.00 0.61 -1.33 0.00 0.00 177.39 176.19 3kip n GLY 16 N 3.48 2.63 0.15 -0.72 0.00 -1.24 -3.90 105.19 105.60 3kip n GLY 16 Ca 0.22 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 3kip n GLY 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kip h THR 17 N 0.00 1.38 -2.82 2.61 1.35 -1.73 -3.42 112.91 110.27 3kip h THR 17 Ca 0.00 -2.37 -0.53 0.00 -0.55 0.00 0.00 66.41 62.97 3kip h THR 17 Cb 0.00 2.79 0.03 0.00 -1.73 0.00 0.00 68.15 69.24 3kip h THR 17 CO 0.00 0.70 0.88 0.00 -0.25 0.00 0.00 175.52 176.85 3kip s ARG 18 N -2.92 4.24 -0.18 4.72 1.70 0.18 -4.02 118.95 122.67 3kip s ARG 18 Ca -0.12 2.26 -0.02 0.00 -0.47 0.00 0.00 55.73 57.39 3kip s ARG 18 Cb 0.04 -3.34 0.00 0.00 -0.57 0.00 0.00 34.95 31.08 3kip s ARG 18 CO 0.88 -0.61 0.14 0.39 -1.08 0.00 0.00 175.30 175.02 3kip n GLU 19 N 4.55 -0.38 0.16 3.89 1.02 -1.26 -4.50 120.64 124.12 3kip n GLU 19 Ca 0.14 0.20 0.02 0.00 -0.02 0.00 0.00 57.16 57.50 3kip n GLU 19 Cb 0.40 -0.51 0.24 0.00 -0.02 0.00 0.00 31.44 31.55 3kip n GLU 19 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3kip h PRO 20 N 0.66 0.00 -0.98 3.49 0.11 -1.78 0.47 132.00 133.97 3kip h PRO 20 Ca -0.15 0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.18 3kip h PRO 20 Cb 0.33 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.33 3kip h PRO 20 CO 0.08 0.50 0.57 0.93 -0.21 0.00 0.00 178.00 179.87 3kip h GLU 21 N 0.00 0.60 0.03 1.05 3.07 -1.87 -2.21 114.58 115.25 3kip h GLU 21 Ca -0.01 -0.04 -0.29 0.00 -0.50 0.00 0.00 59.36 58.53 3kip h GLU 21 Cb 1.01 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.75 3kip h GLU 21 CO 0.07 0.40 -1.57 1.63 -1.40 0.00 0.00 179.01 178.13 3kip n LYS 22 N -4.87 0.62 0.00 2.33 5.02 -0.78 -4.70 118.16 115.78 3kip n LYS 22 Ca 0.25 0.47 0.11 0.00 -2.02 0.00 0.00 58.31 57.11 3kip n LYS 22 Cb 0.67 -1.71 0.05 0.00 -0.02 0.00 0.00 35.03 34.01 3kip n LYS 22 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3kip n TYR 23 N -4.16 0.01 -2.18 2.13 4.02 0.09 -4.69 117.16 112.38 3kip n TYR 23 Ca -0.34 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.55 3kip n TYR 23 Cb 0.79 -0.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.98 3kip n TYR 23 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kip n GLY 24 N 1.49 -1.82 0.21 2.72 0.00 -0.83 -4.81 105.19 102.14 3kip n GLY 24 Ca 0.04 -1.68 0.01 0.00 0.00 0.00 0.00 46.02 44.39 3kip n GLY 24 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kip n THR 25 N 0.00 0.31 -3.14 2.61 -2.24 -1.26 -4.28 114.28 106.28 3kip n THR 25 Ca 0.00 -0.35 -0.39 0.00 -2.27 0.00 0.00 64.05 61.04 3kip n THR 25 Cb 0.00 0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 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 4.80 0.55 4.28 2.01 -1.26 -4.61 115.64 121.00 3kip s THR 26 Ca 0.03 1.38 -0.07 0.00 0.31 0.00 0.00 61.69 63.34 3kip s THR 26 Cb 0.03 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 3kip s THR 26 CO 0.00 0.43 0.89 -0.94 -0.69 0.00 0.00 174.62 174.31 3kip s SER 27 N -0.32 6.13 0.28 3.53 1.04 -1.26 -3.64 113.70 119.47 3kip s SER 27 Ca 0.33 1.06 -0.03 0.00 0.48 0.00 0.00 55.95 57.79 3kip s SER 27 Cb -0.19 -2.23 0.39 0.00 0.10 0.00 0.00 66.02 64.09 3kip s SER 27 CO 0.20 -0.76 1.94 0.25 0.98 0.00 0.00 173.24 175.85 3kip h LEU 28 N -0.03 1.02 -0.94 2.42 5.85 -1.79 -1.63 115.31 120.21 3kip h LEU 28 Ca -0.46 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.29 3kip h LEU 28 Cb 1.21 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.93 3kip h LEU 28 CO 0.62 0.72 0.61 -1.28 -0.34 0.00 0.00 178.44 178.77 3kip h SER 29 N 1.19 1.00 -0.42 1.25 0.87 -1.93 -1.23 113.55 114.30 3kip h SER 29 Ca 0.34 -0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.84 3kip h SER 29 Cb -0.08 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 3kip h SER 29 CO -0.09 0.67 0.07 0.44 -0.53 0.00 0.00 176.83 177.40 3kip h ASP 30 N 1.16 0.72 -0.31 6.23 3.32 -1.68 -0.91 116.42 124.94 3kip h ASP 30 Ca 0.39 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 3kip h ASP 30 Cb 0.06 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3kip h ASP 30 CO -0.14 0.74 -0.18 0.40 -1.72 0.00 0.00 179.24 178.34 3kip h ILE 31 N 0.73 1.27 -0.08 0.35 2.04 -1.03 -1.62 117.51 119.16 3kip h ILE 31 Ca 0.16 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.71 3kip h ILE 31 Cb 0.34 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3kip h ILE 31 CO 0.01 0.43 -0.04 -0.33 0.00 0.00 0.00 178.15 178.22 3kip h GLU 32 N 0.68 0.17 -0.67 2.37 5.08 -0.93 -2.27 114.58 119.02 3kip h GLU 32 Ca 0.10 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3kip h GLU 32 Cb 0.68 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 3kip h GLU 32 CO 0.05 0.54 0.41 0.37 -1.00 0.00 0.00 179.01 179.37 3kip h GLN 33 N -0.20 0.91 -0.55 2.33 4.15 -0.99 -2.32 115.11 118.43 3kip h GLN 33 Ca 0.02 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.39 3kip h GLN 33 Cb 0.49 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 3kip h GLN 33 CO 0.01 0.64 0.32 0.00 -1.93 0.00 0.00 178.83 177.87 3kip h ALA 34 N 1.21 0.71 0.65 3.38 0.00 -1.26 -1.71 119.26 122.24 3kip h ALA 34 Ca 0.24 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3kip h ALA 34 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kip h ALA 34 CO -0.05 0.02 -0.50 0.00 0.00 0.00 0.00 179.25 178.73 3kip h ALA 35 N 1.26 -1.20 -0.91 0.00 0.00 -1.15 -1.12 119.26 116.14 3kip h ALA 35 Ca 0.23 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 55.10 3kip h ALA 35 Cb 0.06 0.67 -0.17 0.00 0.00 0.00 0.00 17.79 18.34 3kip h ALA 35 CO -0.12 -1.20 -0.25 0.82 0.00 0.00 0.00 179.25 178.50 3kip h ILE 36 N -1.11 0.07 0.00 0.00 2.04 -1.27 -1.64 117.51 115.61 3kip h ILE 36 Ca -0.08 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.66 3kip h ILE 36 Cb 0.92 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3kip h ILE 36 CO 0.02 0.00 -0.53 -0.33 0.00 0.00 0.00 178.15 177.31 3kip h GLU 37 N -0.01 0.00 -0.61 2.37 5.08 -1.24 -2.44 114.58 117.74 3kip h GLU 37 Ca 0.42 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.88 3kip h GLU 37 Cb 0.66 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.83 3kip h GLU 37 CO -0.94 0.53 0.20 0.37 -1.00 0.00 0.00 179.01 178.17 3kip h GLN 38 N 0.00 0.35 -0.30 2.33 4.15 -0.21 -1.36 115.11 120.07 3kip h GLN 38 Ca -0.01 -0.02 -0.18 0.00 0.77 0.00 0.00 58.65 59.22 3kip h GLN 38 Cb 1.01 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.62 3kip h GLN 38 CO 0.07 0.23 -0.51 0.00 -1.93 0.00 0.00 178.83 176.69 3kip h ALA 39 N 1.44 0.53 -0.92 3.38 0.00 -1.42 -3.07 119.26 119.21 3kip h ALA 39 Ca 0.31 -0.50 0.07 0.00 0.00 0.00 0.00 54.91 54.79 3kip h ALA 39 Cb 0.42 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 3kip h ALA 39 CO -0.34 0.68 0.57 0.87 0.00 0.00 0.00 179.25 181.03 3kip h LYS 40 N 0.66 0.99 0.00 0.00 1.57 -0.98 -2.34 116.57 116.47 3kip h LYS 40 Ca 0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kip h LYS 40 Cb 1.10 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3kip h LYS 40 CO 0.11 0.66 0.00 -0.07 -0.57 0.00 0.00 179.45 179.58 3kip h LEU 41 N 1.02 0.00 -1.45 2.94 3.38 -1.17 -2.31 115.31 117.72 3kip h LEU 41 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3kip h LEU 41 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kip h LEU 41 CO -0.19 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.45 3kip h LYS 42 N 0.00 0.00 -5.95 1.13 1.79 -1.39 -3.47 116.57 108.67 3kip h LYS 42 Ca 0.00 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.06 3kip h LYS 42 Cb 0.64 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 31.38 3kip h LYS 42 CO 0.00 0.00 -0.73 -1.71 -1.08 0.00 0.00 179.45 175.93 3kip n ASN 43 N -2.70 -4.73 -0.25 0.86 5.15 -0.87 -4.84 115.26 107.88 3kip n ASN 43 Ca 0.00 -0.64 0.00 0.00 -0.60 0.00 0.00 54.58 53.34 3kip n ASN 43 Cb 0.21 -4.67 0.00 0.00 -0.53 0.00 0.00 39.78 34.79 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 -3.00 0.00 -3.02 1.20 6.94 -1.26 -4.99 115.26 111.12 3kip n ASN 44 Ca -0.07 -1.31 -0.14 0.00 -0.02 0.00 0.00 54.58 53.04 3kip n ASN 44 Cb 0.58 -0.06 0.07 0.00 -2.36 0.00 0.00 39.78 38.01 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 -3.28 -4.91 0.53 8.00 -1.26 -5.05 116.55 110.58 3kip n ASP 45 Ca 0.00 -0.55 -0.27 0.00 0.71 0.00 0.00 54.79 54.69 3kip n ASP 45 Cb 0.56 -4.43 0.01 0.00 -0.02 0.00 0.00 41.12 37.25 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 -3.88 6.04 -0.21 -2.24 0.01 -1.26 -4.84 113.70 107.31 3kip s SER 46 Ca 0.12 0.81 -0.13 0.00 1.31 0.00 0.00 55.95 58.06 3kip s SER 46 Cb -0.02 -2.03 0.07 0.00 0.21 0.00 0.00 66.02 64.24 3kip s SER 46 CO 0.62 -0.72 0.53 -0.70 0.41 0.00 0.00 173.24 173.38 3kip s GLU 47 N -4.79 0.55 -0.17 12.44 2.12 0.10 -4.47 118.70 124.48 3kip s GLU 47 Ca 0.49 0.94 -0.05 0.00 0.36 0.00 0.00 54.97 56.71 3kip s GLU 47 Cb -0.10 0.10 -0.03 0.00 0.26 0.00 0.00 34.13 34.35 3kip s GLU 47 CO 0.44 -0.14 0.00 0.08 -0.54 0.00 0.00 175.26 175.10 3kip s VAL 48 N 1.28 4.22 0.07 3.70 1.01 -1.26 -0.77 120.40 128.65 3kip s VAL 48 Ca -0.08 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.70 3kip s VAL 48 Cb -0.06 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3kip s VAL 48 CO -0.13 0.47 0.02 -0.76 0.00 0.00 0.00 175.10 174.71 3kip s LEU 49 N 0.43 3.56 0.11 3.92 1.43 0.58 -4.65 118.68 124.07 3kip s LEU 49 Ca -0.01 -0.11 0.10 0.00 -1.03 0.00 0.00 54.13 53.09 3kip s LEU 49 Cb -0.14 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 3kip s LEU 49 CO 0.02 0.19 -0.25 0.68 0.23 0.00 0.00 176.35 177.21 3kip s VAL 50 N -1.30 2.34 -0.17 -1.59 -7.23 -1.26 -0.39 120.40 110.80 3kip s VAL 50 Ca 0.26 -1.65 -0.22 0.00 -1.81 0.00 0.00 61.98 58.56 3kip s VAL 50 Cb -0.12 -2.02 0.06 0.00 0.56 0.00 0.00 36.38 34.86 3kip s VAL 50 CO 0.18 0.14 0.58 0.12 -0.31 0.00 0.00 175.10 175.81 3kip s PHE 51 N -1.03 -0.60 -0.07 2.82 5.36 0.98 -4.92 117.98 120.53 3kip s PHE 51 Ca 0.14 1.35 -0.06 0.00 -0.96 0.00 0.00 56.93 57.41 3kip s PHE 51 Cb -0.10 0.24 0.02 0.00 -0.34 0.00 0.00 43.02 42.84 3kip s PHE 51 CO 0.06 -0.38 0.18 -1.14 -1.46 0.00 0.00 175.22 172.48 3kip s GLN 52 N -0.15 0.20 -0.01 10.12 -0.44 -1.26 -0.61 119.66 127.51 3kip s GLN 52 Ca -0.04 0.26 -0.24 0.00 -2.50 0.00 0.00 55.36 52.84 3kip s GLN 52 Cb -0.03 0.08 0.05 0.00 -1.64 0.00 0.00 33.01 31.47 3kip s GLN 52 CO 0.03 -0.03 0.52 0.45 0.50 0.00 0.00 175.29 176.76 3kip s SER 53 N 0.17 -0.45 0.06 6.67 0.15 -1.05 -4.99 113.70 114.24 3kip s SER 53 Ca -0.01 0.37 0.24 0.00 0.70 0.00 0.00 55.95 57.26 3kip s SER 53 Cb -0.02 0.46 0.33 0.00 -1.71 0.00 0.00 66.02 65.08 3kip s SER 53 CO -0.00 -0.59 1.29 0.59 1.20 0.00 0.00 173.24 175.72 3kip n ASN 54 N 0.88 0.61 -4.58 5.45 3.02 -1.26 -2.83 115.26 116.54 3kip n ASN 54 Ca -0.20 -0.10 -0.40 0.00 -0.03 0.00 0.00 54.58 53.86 3kip n ASN 54 Cb 0.58 0.34 -0.09 0.00 -0.61 0.00 0.00 39.78 40.00 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 -3.11 5.14 0.19 3.41 2.01 -1.26 -4.65 115.64 117.37 3kip s THR 55 Ca 0.07 0.44 -0.22 0.00 0.31 0.00 0.00 61.69 62.29 3kip s THR 55 Cb 0.15 -3.78 0.12 0.00 0.01 0.00 0.00 72.50 68.99 3kip s THR 55 CO 0.73 0.03 1.56 -0.08 -0.69 0.00 0.00 174.62 176.17 3kip h GLU 56 N 8.28 -0.10 -0.91 4.92 4.81 -2.00 -1.43 114.58 128.15 3kip h GLU 56 Ca -0.30 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.11 3kip h GLU 56 Cb 1.15 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.48 3kip h GLU 56 CO 0.68 -0.07 0.59 0.78 -0.73 0.00 0.00 179.01 180.26 3kip h GLY 57 N -0.11 1.16 1.65 1.92 0.00 -1.99 -0.67 103.07 105.03 3kip h GLY 57 Ca 0.25 -0.27 -0.21 0.00 0.00 0.00 0.00 47.33 47.10 3kip h GLY 57 CO -0.83 0.03 -0.91 0.74 0.00 0.00 0.00 176.54 175.58 3kip h PHE 58 N 0.59 0.46 -0.25 5.60 0.04 -1.69 0.50 116.94 122.20 3kip h PHE 58 Ca 0.47 -0.25 -0.12 0.00 2.80 0.00 0.00 57.97 60.87 3kip h PHE 58 Cb 0.91 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.99 3kip h PHE 58 CO -0.00 1.07 -0.35 0.82 -0.60 0.00 0.00 178.31 179.25 3kip h ILE 59 N 0.18 1.29 -0.19 -0.55 2.04 -0.74 -0.36 117.51 119.18 3kip h ILE 59 Ca -0.06 -1.47 -0.10 0.00 1.00 0.00 0.00 64.86 64.23 3kip h ILE 59 Cb 1.54 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 39.09 3kip h ILE 59 CO 0.15 0.46 -0.29 0.40 0.00 0.00 0.00 178.15 178.87 3kip h ILE 60 N 0.45 1.34 -0.94 -0.67 2.04 -0.84 -2.01 117.51 116.89 3kip h ILE 60 Ca 0.05 -1.51 0.08 0.00 1.00 0.00 0.00 64.86 64.48 3kip h ILE 60 Cb 0.82 1.87 -0.07 0.00 -0.74 0.00 0.00 36.82 38.70 3kip h ILE 60 CO 0.07 0.46 0.61 0.44 0.00 0.00 0.00 178.15 179.72 3kip h ASP 61 N 0.18 0.91 -0.00 1.72 3.32 -0.71 -2.15 116.42 119.68 3kip h ASP 61 Ca 0.02 0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.91 3kip h ASP 61 Cb 0.87 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 3kip h ASP 61 CO 0.07 0.55 -0.60 -0.09 -1.72 0.00 0.00 179.24 177.45 3kip h ARG 62 N 1.01 0.60 -0.08 3.56 9.65 -0.63 -1.26 114.38 127.24 3kip h ARG 62 Ca 0.42 -0.41 -0.06 0.00 -1.10 0.00 0.00 59.98 58.83 3kip h ARG 62 Cb 0.30 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 3kip h ARG 62 CO -0.18 1.02 -0.24 0.82 2.80 0.00 0.00 179.97 184.20 3kip h ILE 63 N 0.45 1.21 -0.11 1.20 2.04 -0.88 -1.68 117.51 119.74 3kip h ILE 63 Ca -0.00 -0.96 -0.19 0.00 1.00 0.00 0.00 64.86 64.70 3kip h ILE 63 Cb 1.16 1.42 0.01 0.00 -0.74 0.00 0.00 36.82 38.67 3kip h ILE 63 CO 0.12 0.29 -0.68 0.45 0.00 0.00 0.00 178.15 178.32 3kip h HIS 64 N 0.12 0.89 0.00 1.37 3.86 -0.86 -3.06 115.15 117.47 3kip h HIS 64 Ca 0.02 -0.41 -0.00 0.00 -1.16 0.00 0.00 60.37 58.82 3kip h HIS 64 Cb 0.49 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 3kip h HIS 64 CO 0.00 1.22 -0.02 1.49 0.86 0.00 0.00 177.93 181.48 3kip h GLU 65 N 0.31 0.00 -0.14 2.45 4.57 -0.65 -2.07 114.58 119.05 3kip h GLU 65 Ca -0.05 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.94 3kip h GLU 65 Cb 1.32 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 3kip h GLU 65 CO 0.14 0.02 -0.68 0.00 -1.18 0.00 0.00 179.01 177.31 3kip h ALA 66 N 1.98 0.55 -0.26 2.92 0.00 -1.23 -1.26 119.26 121.96 3kip h ALA 66 Ca -0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 3kip h ALA 66 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3kip h ALA 66 CO 0.00 0.72 -0.27 -0.22 0.00 0.00 0.00 179.25 179.48 3kip h LYS 67 N 0.40 0.52 -0.30 0.00 1.63 -1.36 -0.73 116.57 116.73 3kip h LYS 67 Ca -0.02 -0.21 -0.10 0.00 -0.85 0.00 0.00 60.65 59.47 3kip h LYS 67 Cb 1.26 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.85 3kip h LYS 67 CO 0.13 0.74 -0.22 0.00 -3.45 0.00 0.00 179.45 176.65 3kip h ARG 68 N 0.45 0.58 -0.39 1.90 3.08 -1.28 -2.26 114.38 116.45 3kip h ARG 68 Ca 0.06 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3kip h ARG 68 Cb 0.71 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3kip h ARG 68 CO 0.05 0.76 0.00 0.00 -1.07 0.00 0.00 179.97 179.71 3kip n GLN 69 N -4.13 1.94 -1.96 0.04 10.64 -0.52 -4.93 117.38 118.46 3kip n GLN 69 Ca 0.00 -1.46 -0.06 0.00 -1.83 0.00 0.00 57.00 53.65 3kip n GLN 69 Cb 0.40 -1.33 -0.01 0.00 -0.86 0.00 0.00 30.24 28.45 3kip n GLN 69 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3kip n GLY 70 N 1.15 0.24 3.73 2.61 0.00 -0.63 -4.97 105.19 107.32 3kip n GLY 70 Ca 0.14 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.31 2.98 -1.15 1.61 1.01 -0.38 -4.67 120.40 117.50 3kip s VAL 71 Ca 0.00 0.75 0.15 0.00 0.00 0.00 0.00 61.98 62.88 3kip s VAL 71 Cb 0.00 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 3kip s VAL 71 CO 0.00 0.08 0.76 0.61 0.00 0.00 0.00 175.10 176.55 3kip n GLY 72 N 3.03 -0.19 3.46 4.51 0.00 -0.55 -4.75 105.19 110.71 3kip n GLY 72 Ca 0.10 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.06 -0.58 -0.09 1.61 2.19 -1.18 -4.37 117.98 113.50 3kip s PHE 73 Ca 0.10 1.26 0.04 0.00 0.33 0.00 0.00 56.93 58.66 3kip s PHE 73 Cb 0.12 0.25 -0.01 0.00 -1.31 0.00 0.00 43.02 42.08 3kip s PHE 73 CO 0.48 -0.40 -0.21 0.08 1.83 0.00 0.00 175.22 176.99 3kip s VAL 74 N -0.34 2.33 -0.22 3.12 1.01 0.14 -1.32 120.40 125.11 3kip s VAL 74 Ca -0.05 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 3kip s VAL 74 Cb -0.03 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 3kip s VAL 74 CO 0.04 0.56 -0.04 -0.69 0.00 0.00 0.00 175.10 174.97 3kip s VAL 75 N 0.16 3.41 -0.06 2.92 1.01 -0.80 -0.95 120.40 126.10 3kip s VAL 75 Ca -0.12 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3kip s VAL 75 Cb -0.16 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.67 3kip s VAL 75 CO 0.06 0.40 -0.10 -0.51 0.00 0.00 0.00 175.10 174.96 3kip s ILE 76 N 1.48 0.96 -0.61 2.22 2.07 0.54 -1.21 121.20 126.65 3kip s ILE 76 Ca 0.06 -0.38 -0.08 0.00 -1.41 0.00 0.00 60.65 58.83 3kip s ILE 76 Cb -0.14 -0.89 0.16 0.00 0.13 0.00 0.00 42.46 41.71 3kip s ILE 76 CO -0.03 0.31 0.48 0.21 -1.91 0.00 0.00 174.94 174.00 3kip s ASN 77 N 0.66 5.80 0.00 4.50 3.84 0.09 -0.64 114.94 129.19 3kip s ASN 77 Ca -0.13 -2.40 0.12 0.00 0.21 0.00 0.00 52.86 50.66 3kip s ASN 77 Cb -0.15 -2.01 0.67 0.00 -0.55 0.00 0.00 41.25 39.21 3kip s ASN 77 CO 0.03 -0.56 1.20 0.00 -2.79 0.00 0.00 177.10 174.98 3kip n ALA 78 N 4.23 1.85 -0.73 1.71 0.00 -1.26 0.80 120.51 127.10 3kip n ALA 78 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3kip n ALA 78 Cb 0.41 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.27 2.64 0.33 0.00 0.00 -1.26 -0.78 105.19 105.85 3kip n GLY 79 Ca 0.08 -0.31 0.16 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.73 1.30 0.00 4.61 0.00 -1.93 -2.15 119.26 120.36 3kip h ALA 80 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3kip h ALA 80 Cb 0.00 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3kip h ALA 80 CO 0.00 -0.58 0.08 0.66 0.00 0.00 0.00 179.25 179.40 3kip n TYR 81 N -5.38 0.53 0.21 0.00 4.01 0.04 -0.28 117.16 116.28 3kip n TYR 81 Ca 0.24 0.28 0.15 0.00 -0.16 0.00 0.00 57.90 58.40 3kip n TYR 81 Cb 0.79 -0.89 0.77 0.00 -0.31 0.00 0.00 39.34 39.71 3kip n TYR 81 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3kip h THR 82 N 0.00 0.67 -0.01 -0.72 2.02 -1.47 0.94 112.91 114.34 3kip h THR 82 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3kip h THR 82 Cb 0.16 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3kip h THR 82 CO 0.00 0.00 -0.52 1.41 0.37 0.00 0.00 175.52 176.78 3kip n HIS 83 N -4.10 0.00 0.00 3.16 8.25 0.62 -0.64 115.22 122.50 3kip n HIS 83 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3kip n HIS 83 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.57 0.00 -3.16 1.59 -2.24 -0.98 -4.83 114.28 104.09 3kip n THR 84 Ca 0.06 -0.01 -0.46 0.00 -2.27 0.00 0.00 64.05 61.37 3kip n THR 84 Cb 0.33 0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.55 6.76 0.57 3.42 0.15 0.29 -4.80 113.70 119.53 3kip s SER 85 Ca 0.00 -2.51 0.33 0.00 0.70 0.00 0.00 55.95 54.47 3kip s SER 85 Cb 0.00 -2.29 1.70 0.00 -1.71 0.00 0.00 66.02 63.72 3kip s SER 85 CO 0.00 -0.75 2.14 0.58 1.20 0.00 0.00 173.24 176.42 3kip h VAL 86 N 5.11 0.32 -0.24 4.45 2.07 -1.93 -3.23 116.25 122.81 3kip h VAL 86 Ca 0.14 -0.36 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 3kip h VAL 86 Cb 1.02 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3kip h VAL 86 CO 0.92 0.06 -0.36 1.23 0.02 0.00 0.00 177.57 179.44 3kip h GLY 87 N 0.80 0.73 0.44 2.17 0.00 -1.96 -1.16 103.07 104.08 3kip h GLY 87 Ca -0.00 -0.82 0.11 0.00 0.00 0.00 0.00 47.33 46.63 3kip h GLY 87 CO 0.01 0.73 0.49 -2.22 0.00 0.00 0.00 176.54 175.56 3kip h ILE 88 N 0.38 0.86 -0.45 2.60 2.04 -1.90 -1.44 117.51 119.59 3kip h ILE 88 Ca 0.02 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 3kip h ILE 88 Cb 0.95 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3kip h ILE 88 CO 0.08 0.14 0.08 -0.09 0.00 0.00 0.00 178.15 178.36 3kip h ARG 89 N 0.79 0.75 0.00 2.37 2.43 -1.44 -0.46 114.38 118.81 3kip h ARG 89 Ca 0.43 -0.20 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3kip h ARG 89 Cb 0.46 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3kip h ARG 89 CO -0.28 0.77 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.34 3kip h ASP 90 N 0.61 0.00 -0.04 -3.80 3.32 -0.89 0.12 116.42 115.74 3kip h ASP 90 Ca 0.14 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 3kip h ASP 90 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3kip h ASP 90 CO 0.01 0.17 -0.30 0.00 -1.72 0.00 0.00 179.24 177.40 3kip h ALA 91 N 1.83 0.09 -0.58 3.45 0.00 -0.48 0.29 119.26 123.86 3kip h ALA 91 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3kip h ALA 91 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3kip h ALA 91 CO 0.02 0.14 0.36 -0.07 0.00 0.00 0.00 179.25 179.70 3kip h LEU 92 N -0.28 0.69 -0.36 0.00 3.38 -0.69 -2.03 115.31 116.01 3kip h LEU 92 Ca -0.03 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 3kip h LEU 92 Cb 0.98 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3kip h LEU 92 CO 0.06 0.53 -0.16 -0.07 0.09 0.00 0.00 178.44 178.90 3kip h LEU 93 N 0.78 0.76 -1.94 1.67 3.38 -0.75 -2.35 115.31 116.86 3kip h LEU 93 Ca 0.21 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3kip h LEU 93 Cb -0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3kip h LEU 93 CO -0.04 0.99 0.06 1.23 0.09 0.00 0.00 178.44 180.77 3kip h GLY 94 N 0.53 0.09 -0.21 0.83 0.00 -0.13 -1.77 103.07 102.40 3kip h GLY 94 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3kip h GLY 94 CO 0.05 0.03 -0.61 -1.30 0.00 0.00 0.00 176.54 174.71 3kip n THR 95 N -4.52 0.00 -3.79 4.70 -2.24 -0.79 -4.98 114.28 102.66 3kip n THR 95 Ca -0.01 -0.12 -0.27 0.00 -2.27 0.00 0.00 64.05 61.38 3kip n THR 95 Cb 0.12 0.90 0.04 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.79 -1.42 -2.72 6.98 0.00 -0.67 -4.96 120.51 116.93 3kip n ALA 96 Ca 0.08 0.19 -0.36 0.00 0.00 0.00 0.00 53.44 53.34 3kip n ALA 96 Cb 0.39 -4.32 -0.07 0.00 0.00 0.00 0.00 19.45 15.45 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 -3.36 5.31 0.50 0.00 1.01 -1.07 -5.05 121.20 118.53 3kip s ILE 97 Ca 0.53 0.52 -0.22 0.00 0.00 0.00 0.00 60.65 61.48 3kip s ILE 97 Cb -0.26 -3.61 -0.06 0.00 0.01 0.00 0.00 42.46 38.54 3kip s ILE 97 CO 0.80 0.41 1.20 -2.16 0.00 0.00 0.00 174.94 175.18 3kip s PRO 98 N 0.35 3.54 0.09 2.79 0.04 -1.26 -4.81 135.00 135.75 3kip s PRO 98 Ca 0.16 1.84 -0.05 0.00 0.04 0.00 0.00 61.00 62.98 3kip s PRO 98 Cb -0.13 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 3kip s PRO 98 CO 0.04 -0.75 0.12 -0.59 0.04 0.00 0.00 177.00 175.85 3kip s PHE 99 N -1.54 0.39 -0.07 0.56 -0.71 -1.26 0.28 117.98 115.64 3kip s PHE 99 Ca 0.67 -0.84 0.05 0.00 -1.04 0.00 0.00 56.93 55.77 3kip s PHE 99 Cb -0.30 -0.22 -0.01 0.00 -1.21 0.00 0.00 43.02 41.29 3kip s PHE 99 CO 0.36 -0.52 -0.23 0.42 -1.34 0.00 0.00 175.22 173.91 3kip s ILE 100 N -3.92 1.90 -0.27 -4.49 1.01 -0.13 -0.61 121.20 114.70 3kip s ILE 100 Ca 0.10 -0.96 -0.24 0.00 0.00 0.00 0.00 60.65 59.55 3kip s ILE 100 Cb 0.06 -1.62 -0.00 0.00 0.01 0.00 0.00 42.46 40.90 3kip s ILE 100 CO -0.07 0.53 0.80 -0.70 0.00 0.00 0.00 174.94 175.50 3kip s GLU 101 N 0.06 4.10 -0.13 2.79 2.12 -0.74 -0.34 118.70 126.56 3kip s GLU 101 Ca -0.09 0.79 -0.02 0.00 0.36 0.00 0.00 54.97 56.01 3kip s GLU 101 Cb -0.15 -3.68 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 3kip s GLU 101 CO 0.05 -0.57 -0.05 0.08 -0.54 0.00 0.00 175.26 174.23 3kip s VAL 102 N 2.87 3.80 -0.13 3.70 1.01 0.18 -1.37 120.40 130.46 3kip s VAL 102 Ca 0.33 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.93 3kip s VAL 102 Cb -0.15 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.61 3kip s VAL 102 CO 0.09 0.52 -0.21 -1.00 0.00 0.00 0.00 175.10 174.51 3kip s HIS 103 N 0.05 2.66 0.07 5.22 3.76 -0.27 -4.33 115.29 122.46 3kip s HIS 103 Ca -0.01 -1.17 -0.19 0.00 -0.15 0.00 0.00 55.06 53.54 3kip s HIS 103 Cb -0.14 -1.80 -0.10 0.00 1.11 0.00 0.00 32.58 31.66 3kip s HIS 103 CO 0.03 -0.51 1.47 0.82 -0.85 0.00 0.00 174.74 175.69 3kip h ILE 104 N 5.74 1.28 -2.29 0.60 2.04 -1.86 -1.65 117.51 121.38 3kip h ILE 104 Ca -0.28 -1.05 -0.44 0.00 1.00 0.00 0.00 64.86 64.09 3kip h ILE 104 Cb 1.21 1.51 0.03 0.00 -0.74 0.00 0.00 36.82 38.82 3kip h ILE 104 CO 0.53 0.32 -0.15 0.42 0.00 0.00 0.00 178.15 179.27 3kip s THR 105 N -4.76 3.48 -0.78 -0.27 -4.23 -1.26 -1.46 115.64 106.35 3kip s THR 105 Ca -0.14 -0.72 -0.22 0.00 -1.18 0.00 0.00 61.69 59.43 3kip s THR 105 Cb 0.07 -3.26 0.07 0.00 1.34 0.00 0.00 72.50 70.73 3kip s THR 105 CO 0.75 -0.15 1.12 0.21 -0.54 0.00 0.00 174.62 176.01 3kip s ASN 106 N -4.29 6.32 0.58 3.99 3.04 -1.26 -2.83 114.94 120.49 3kip s ASN 106 Ca 0.51 -1.21 0.33 0.00 0.04 0.00 0.00 52.86 52.53 3kip s ASN 106 Cb -0.10 -2.46 1.40 0.00 -1.54 0.00 0.00 41.25 38.56 3kip s ASN 106 CO 0.36 -1.43 1.72 -0.37 -3.04 0.00 0.00 177.10 174.34 3kip h VAL 107 N 6.06 0.28 0.00 -5.21 -1.51 -1.91 -0.84 116.25 113.12 3kip h VAL 107 Ca -0.12 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 3kip h VAL 107 Cb 1.05 0.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 3kip h VAL 107 CO 1.22 0.00 0.00 0.45 -1.23 0.00 0.00 177.57 178.01 3kip h HIS 108 N 0.00 0.00 -0.02 5.19 3.86 -1.88 -1.78 115.15 120.51 3kip h HIS 108 Ca 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.65 3kip h HIS 108 Cb 2.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.57 3kip h HIS 108 CO 0.00 0.00 0.00 1.04 0.86 0.00 0.00 177.93 179.83 3kip n GLN 109 N -2.57 1.16 -0.46 2.45 6.02 -0.32 -4.93 117.38 118.74 3kip n GLN 109 Ca 0.02 -0.24 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 3kip n GLN 109 Cb 0.31 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.19 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 -0.61 3.20 -1.85 -1.09 1.74 -0.67 -5.07 116.66 112.32 3kip n ARG 110 Ca 0.18 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.85 3kip n ARG 110 Cb 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.58 3kip n ARG 110 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3kip s GLU 111 N 0.61 4.02 0.42 5.56 8.01 -1.26 -4.85 118.70 131.21 3kip s GLU 111 Ca 0.00 2.48 0.24 0.00 0.01 0.00 0.00 54.97 57.70 3kip s GLU 111 Cb 0.00 -2.89 1.27 0.00 -4.31 0.00 0.00 34.13 28.20 3kip s GLU 111 CO 0.00 -0.57 1.69 -1.35 0.01 0.00 0.00 175.26 175.04 3kip h PRO 112 N 2.85 0.22 -0.55 0.39 0.11 -1.95 0.63 132.00 133.71 3kip h PRO 112 Ca -0.51 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.72 3kip h PRO 112 Cb 1.24 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3kip h PRO 112 CO 0.63 0.15 0.38 0.27 -0.21 0.00 0.00 178.00 179.22 3kip h PHE 113 N 0.23 0.17 -0.00 0.65 -5.15 -1.97 0.11 116.94 110.98 3kip h PHE 113 Ca 0.72 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.49 3kip h PHE 113 Cb 2.06 -0.06 0.00 0.00 0.22 0.00 0.00 35.95 38.18 3kip h PHE 113 CO -0.00 0.07 -0.03 0.54 -2.00 0.00 0.00 178.31 176.88 3kip n ARG 114 N -4.42 0.81 0.19 6.09 1.74 0.22 -3.12 116.66 118.16 3kip n ARG 114 Ca 0.10 -0.16 0.12 0.00 -0.77 0.00 0.00 57.85 57.14 3kip n ARG 114 Cb 0.51 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.66 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 0.38 0.00 -3.44 -1.55 3.86 -0.82 -3.45 115.15 110.13 3kip h HIS 115 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 3kip h HIS 115 Cb 0.23 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.66 3kip h HIS 115 CO 0.00 0.00 0.14 -0.65 0.86 0.00 0.00 177.93 178.28 3kip s GLN 116 N -3.20 4.49 0.04 2.45 -1.52 -1.18 -5.07 119.66 115.67 3kip s GLN 116 Ca 0.07 1.06 0.05 0.00 -1.95 0.00 0.00 55.36 54.59 3kip s GLN 116 Cb 0.07 -3.30 -0.02 0.00 -0.22 0.00 0.00 33.01 29.53 3kip s GLN 116 CO 0.66 0.45 -0.14 0.45 -0.25 0.00 0.00 175.29 176.46 3kip s SER 117 N -0.66 1.70 0.00 5.90 0.15 -1.26 -4.43 113.70 115.09 3kip s SER 117 Ca 0.36 -0.45 0.23 0.00 0.70 0.00 0.00 55.95 56.79 3kip s SER 117 Cb -0.21 -0.11 0.63 0.00 -1.71 0.00 0.00 66.02 64.61 3kip s SER 117 CO 0.24 0.04 1.50 -1.22 1.20 0.00 0.00 173.24 175.00 3kip n TYR 118 N 1.93 0.24 -0.11 3.44 4.01 0.18 -4.18 117.16 122.68 3kip n TYR 118 Ca -0.18 -0.12 -0.14 0.00 -0.16 0.00 0.00 57.90 57.30 3kip n TYR 118 Cb 0.55 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.46 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 0.77 2.28 -0.32 7.72 4.77 -1.26 -4.71 117.00 126.24 3kip n LEU 119 Ca 0.17 -0.09 0.17 0.00 -0.03 0.00 0.00 56.01 56.22 3kip n LEU 119 Cb 0.45 -0.51 0.36 0.00 -2.33 0.00 0.00 43.42 41.39 3kip n LEU 119 CO 0.14 0.78 1.06 0.28 -1.33 0.00 0.00 177.39 178.33 3kip h SER 120 N 0.00 0.36 0.51 -1.43 0.02 -1.94 0.06 113.55 111.13 3kip h SER 120 Ca -0.50 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3kip h SER 120 Cb 1.87 0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.56 3kip h SER 120 CO -0.05 -0.06 -0.04 -0.90 -1.14 0.00 0.00 176.83 174.64 3kip n ASP 121 N -5.06 0.15 -0.01 3.07 5.75 -1.26 -2.76 116.55 116.42 3kip n ASP 121 Ca 0.25 -0.27 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 3kip n ASP 121 Cb 0.76 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 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 -1.20 -0.17 -1.83 0.11 4.76 -0.09 -5.03 118.16 114.71 3kip n LYS 122 Ca 0.14 -0.46 -0.31 0.00 -2.87 0.00 0.00 58.31 54.81 3kip n LYS 122 Cb 0.25 -0.95 0.02 0.00 -1.84 0.00 0.00 35.03 32.51 3kip n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kip s ALA 123 N -0.12 3.03 0.03 7.82 0.00 -0.64 -4.83 121.76 127.06 3kip s ALA 123 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 51.96 51.68 3kip s ALA 123 Cb 0.00 -3.09 -0.16 0.00 0.00 0.00 0.00 23.12 19.87 3kip s ALA 123 CO 0.00 -0.78 1.28 0.28 0.00 0.00 0.00 175.76 176.54 3kip h VAL 124 N -0.39 1.38 -3.84 0.00 2.07 -1.19 -3.47 116.25 110.80 3kip h VAL 124 Ca -0.44 -1.48 -0.09 0.00 0.82 0.00 0.00 66.70 65.51 3kip h VAL 124 Cb 1.20 2.04 -0.14 0.00 -1.52 0.00 0.00 31.29 32.87 3kip h VAL 124 CO 0.61 0.43 -0.36 0.00 0.02 0.00 0.00 177.57 178.27 3kip s ALA 125 N -4.05 -0.14 -0.14 1.67 0.00 -1.26 -5.07 121.76 112.78 3kip s ALA 125 Ca -0.14 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3kip s ALA 125 Cb 0.05 0.60 0.02 0.00 0.00 0.00 0.00 23.12 23.79 3kip s ALA 125 CO 0.76 -0.55 -0.14 0.08 0.00 0.00 0.00 175.76 175.91 3kip s VAL 126 N -3.89 1.55 -0.19 0.00 1.01 -1.26 -1.78 120.40 115.83 3kip s VAL 126 Ca 0.09 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 3kip s VAL 126 Cb 0.04 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 3kip s VAL 126 CO -0.08 0.45 -0.07 -0.63 0.00 0.00 0.00 175.10 174.78 3kip s ILE 127 N 1.39 3.28 -0.08 2.22 1.01 -0.47 -5.00 121.20 123.55 3kip s ILE 127 Ca 0.03 -0.54 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 3kip s ILE 127 Cb -0.13 -2.46 0.05 0.00 0.01 0.00 0.00 42.46 39.92 3kip s ILE 127 CO -0.09 0.46 0.15 0.00 0.00 0.00 0.00 174.94 175.46 3kip n GLY 129 N 5.32 1.25 0.96 0.00 0.00 -0.62 -4.65 105.19 107.46 3kip n GLY 129 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.04 3kip n GLY 129 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kip n LEU 130 N 0.00 2.78 0.00 0.99 7.94 -1.23 -4.69 117.00 122.79 3kip n LEU 130 Ca 0.00 -1.40 0.00 0.00 -1.11 0.00 0.00 56.01 53.50 3kip n LEU 130 Cb 0.00 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 43.57 3kip n LEU 130 CO 0.00 0.58 0.00 0.61 -1.11 0.00 0.00 177.39 177.47 3kip n GLY 131 N 1.02 1.92 0.19 -3.96 0.00 -0.54 -3.02 105.19 100.81 3kip n GLY 131 Ca 0.16 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.80 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 0.98 -1.01 1.61 -1.51 -1.92 -2.02 116.25 112.39 3kip h VAL 132 Ca 0.00 -1.35 0.16 0.00 -1.23 0.00 0.00 66.70 64.28 3kip h VAL 132 Cb 0.00 1.79 -0.10 0.00 -2.13 0.00 0.00 31.29 30.85 3kip h VAL 132 CO 0.00 0.35 0.62 0.22 -1.23 0.00 0.00 177.57 177.53 3kip h TYR 133 N 0.00 1.11 -0.16 5.19 3.20 -1.95 -0.77 116.97 123.59 3kip h TYR 133 Ca -0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 3kip h TYR 133 Cb 0.76 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 3kip h TYR 133 CO 0.00 0.34 -0.09 0.41 -1.64 0.00 0.00 178.16 177.18 3kip n GLY 134 N -1.34 -0.52 0.28 1.82 0.00 -0.76 0.04 105.19 104.71 3kip n GLY 134 Ca 0.21 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.33 3kip n GLY 134 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kip h TYR 135 N 0.00 -0.65 -1.00 1.61 0.05 -1.31 -1.24 116.97 114.42 3kip h TYR 135 Ca 0.03 0.02 0.09 0.00 0.05 0.00 0.00 58.73 58.92 3kip h TYR 135 Cb 0.07 0.29 -0.08 0.00 1.01 0.00 0.00 36.73 38.02 3kip h TYR 135 CO -0.20 -0.34 0.64 1.15 -1.05 0.00 0.00 178.16 178.37 3kip h THR 136 N -0.39 1.01 -0.09 -2.88 2.02 -0.40 -1.01 112.91 111.18 3kip h THR 136 Ca 0.06 -0.37 -0.22 0.00 0.77 0.00 0.00 66.41 66.64 3kip h THR 136 Cb 0.46 -0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.71 3kip h THR 136 CO -0.21 0.20 -0.81 0.00 0.37 0.00 0.00 175.52 175.07 3kip h ALA 137 N 1.50 0.21 -0.97 6.16 0.00 -0.59 0.98 119.26 126.54 3kip h ALA 137 Ca 0.46 -0.61 0.10 0.00 0.00 0.00 0.00 54.91 54.86 3kip h ALA 137 Cb 0.32 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 3kip h ALA 137 CO -0.21 0.61 0.62 0.00 0.00 0.00 0.00 179.25 180.27 3kip h ALA 138 N 0.47 1.54 -0.27 0.00 0.00 -0.83 -1.27 119.26 118.90 3kip h ALA 138 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3kip h ALA 138 Cb 1.45 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3kip h ALA 138 CO 0.16 0.25 -0.24 0.82 0.00 0.00 0.00 179.25 180.24 3kip h ILE 139 N 0.99 1.31 -0.77 0.00 2.04 -0.81 -1.42 117.51 118.85 3kip h ILE 139 Ca 0.46 -1.39 0.16 0.00 1.00 0.00 0.00 64.86 65.09 3kip h ILE 139 Cb 0.41 1.60 -0.11 0.00 -0.74 0.00 0.00 36.82 37.99 3kip h ILE 139 CO -0.22 0.44 0.26 -0.33 0.00 0.00 0.00 178.15 178.31 3kip h GLU 140 N 0.37 0.35 -0.65 2.37 4.39 -0.50 -1.53 114.58 119.38 3kip h GLU 140 Ca 0.05 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 3kip h GLU 140 Cb 0.80 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 3kip h GLU 140 CO 0.06 0.23 0.20 -0.92 -1.16 0.00 0.00 179.01 177.43 3kip h TYR 141 N 0.36 1.05 0.08 4.33 5.03 -0.74 -2.73 116.97 124.35 3kip h TYR 141 Ca 0.44 -0.11 -0.00 0.00 2.58 0.00 0.00 58.73 61.64 3kip h TYR 141 Cb 0.73 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.71 3kip h TYR 141 CO -0.20 0.85 -0.04 0.00 -1.32 0.00 0.00 178.16 177.45 3kip h ALA 142 N 1.08 -0.10 0.00 1.82 0.00 -0.84 -2.92 119.26 118.29 3kip h ALA 142 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kip h ALA 142 Cb 0.30 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kip h ALA 142 CO -0.01 -0.41 0.02 -0.07 0.00 0.00 0.00 179.25 178.78 3kip h LEU 143 N -0.39 0.00 -2.91 0.00 3.38 -1.13 -1.12 115.31 113.13 3kip h LEU 143 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kip h LEU 143 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3kip h LEU 143 CO 0.02 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.14 3kip n ASN 144 N -2.85 3.64 -4.87 -0.43 4.13 -1.04 -4.26 115.26 109.59 3kip n ASN 144 Ca -0.03 -2.15 -0.36 0.00 1.68 0.00 0.00 54.58 53.73 3kip n ASN 144 Cb 0.08 -0.40 -0.06 0.00 -1.54 0.00 0.00 39.78 37.87 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 -1.27 3.62 -2.00 3.10 5.04 -0.42 -4.90 117.35 120.52 3kip s TYR 145 Ca 0.38 0.73 0.31 0.00 -2.44 0.00 0.00 57.07 56.05 3kip s TYR 145 Cb 0.22 -2.10 1.87 0.00 0.35 0.00 0.00 41.96 42.29 3kip s TYR 145 CO 0.23 0.62 2.20 1.04 -1.34 0.00 0.00 175.55 178.29