#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbi s ARG 6 N 1.45 4.01 -0.08 0.00 0.52 -1.26 -1.29 118.95 122.30 3kbi s ARG 6 Ca 0.01 0.42 0.02 0.00 -0.52 0.00 0.00 55.73 55.66 3kbi s ARG 6 Cb -0.21 -3.26 0.01 0.00 0.52 0.00 0.00 34.95 32.01 3kbi s ARG 6 CO 0.03 0.59 -0.13 0.08 0.02 0.00 0.00 175.30 175.89 3kbi s VAL 7 N -0.75 1.27 -0.36 3.52 1.01 -0.66 -1.54 120.40 122.88 3kbi s VAL 7 Ca 0.24 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 3kbi s VAL 7 Cb -0.16 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.07 3kbi s VAL 7 CO 0.13 0.39 0.20 -0.22 0.00 0.00 0.00 175.10 175.60 3kbi s LEU 8 N 0.81 4.62 -0.31 3.92 2.96 -0.48 0.01 118.68 130.22 3kbi s LEU 8 Ca -0.11 -0.92 -0.05 0.00 -0.22 0.00 0.00 54.13 52.83 3kbi s LEU 8 Cb -0.15 -2.02 0.03 0.00 0.50 0.00 0.00 46.19 44.54 3kbi s LEU 8 CO 0.02 -0.35 0.06 -0.55 -1.32 0.00 0.00 176.35 174.21 3kbi s SER 9 N 1.56 5.07 -0.59 3.68 0.15 -0.12 -0.48 113.70 122.97 3kbi s SER 9 Ca 0.02 -0.96 -0.14 0.00 0.70 0.00 0.00 55.95 55.58 3kbi s SER 9 Cb -0.19 -1.83 0.15 0.00 -1.71 0.00 0.00 66.02 62.44 3kbi s SER 9 CO 0.07 -0.24 0.52 -0.63 1.20 0.00 0.00 173.24 174.15 3kbi s ILE 10 N 1.41 5.01 0.31 6.45 1.01 -0.18 -1.13 121.20 134.08 3kbi s ILE 10 Ca -0.00 -1.83 -0.04 0.00 0.00 0.00 0.00 60.65 58.78 3kbi s ILE 10 Cb -0.18 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.08 3kbi s ILE 10 CO 0.01 -0.88 0.43 -1.10 0.00 0.00 0.00 174.94 173.40 3kbi s GLN 11 N 1.18 1.75 0.62 2.79 -0.21 -0.64 -4.18 119.66 120.96 3kbi s GLN 11 Ca 0.07 -1.65 -0.15 0.00 0.02 0.00 0.00 55.36 53.65 3kbi s GLN 11 Cb -0.25 0.42 -0.02 0.00 1.00 0.00 0.00 33.01 34.17 3kbi s GLN 11 CO -0.01 -0.71 1.07 -1.54 -2.12 0.00 0.00 175.29 171.99 3kbi s SER 12 N -3.19 5.55 -0.00 5.90 1.04 -1.26 -0.15 113.70 121.58 3kbi s SER 12 Ca 0.30 1.86 0.06 0.00 0.48 0.00 0.00 55.95 58.65 3kbi s SER 12 Cb 0.01 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 3kbi s SER 12 CO 0.17 -1.33 -0.19 -2.28 0.98 0.00 0.00 173.24 170.59 3kbi s HIS 13 N -2.46 1.73 0.10 5.02 2.46 0.33 -0.53 115.29 121.95 3kbi s HIS 13 Ca 0.64 -0.33 0.06 0.00 0.47 0.00 0.00 55.06 55.90 3kbi s HIS 13 Cb -0.17 -1.10 -0.03 0.00 -0.13 0.00 0.00 32.58 31.14 3kbi s HIS 13 CO 0.39 -0.01 -0.16 0.14 -2.47 0.00 0.00 174.74 172.63 3kbi s VAL 14 N -0.51 1.40 -0.11 0.89 -7.23 -1.26 -1.17 120.40 112.42 3kbi s VAL 14 Ca 0.07 -1.55 -0.18 0.00 -1.81 0.00 0.00 61.98 58.52 3kbi s VAL 14 Cb -0.08 -1.41 -0.15 0.00 0.56 0.00 0.00 36.38 35.31 3kbi s VAL 14 CO -0.00 -0.25 0.55 0.40 -0.31 0.00 0.00 175.10 175.49 3kbi h ILE 15 N 3.91 0.98 -3.39 -0.62 2.04 -0.97 -3.44 117.51 116.02 3kbi h ILE 15 Ca -0.42 -1.61 -0.62 0.00 1.00 0.00 0.00 64.86 63.21 3kbi h ILE 15 Cb 1.19 1.81 -0.15 0.00 -0.74 0.00 0.00 36.82 38.94 3kbi h ILE 15 CO 0.44 0.32 -0.53 -0.60 0.00 0.00 0.00 178.15 177.77 3kbi s ARG 16 N -2.30 4.03 0.00 2.37 6.06 -0.56 -5.02 118.95 123.54 3kbi s ARG 16 Ca -0.11 -0.30 0.00 0.00 -2.50 0.00 0.00 55.73 52.81 3kbi s ARG 16 Cb -0.01 -3.36 0.00 0.00 0.06 0.00 0.00 34.95 31.64 3kbi s ARG 16 CO 0.41 0.19 0.00 0.41 -2.50 0.00 0.00 175.30 173.82 3kbi n GLY 17 N 3.83 0.60 2.70 8.12 0.00 -1.26 -4.37 105.19 114.81 3kbi n GLY 17 Ca -0.16 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.38 3kbi n GLY 17 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kbi s TYR 18 N -1.02 1.42 0.12 1.61 1.51 -1.26 -4.86 117.35 114.87 3kbi s TYR 18 Ca 0.00 -1.52 -0.12 0.00 -1.01 0.00 0.00 57.07 54.42 3kbi s TYR 18 Cb 0.00 -1.52 0.01 0.00 -0.11 0.00 0.00 41.96 40.34 3kbi s TYR 18 CO 0.00 -0.85 0.31 0.14 -1.11 0.00 0.00 175.55 174.04 3kbi s VAL 19 N 1.72 0.09 0.00 0.71 -7.23 -1.26 -4.28 120.40 110.15 3kbi s VAL 19 Ca 0.09 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 3kbi s VAL 19 Cb -0.17 -1.36 0.00 0.00 0.56 0.00 0.00 36.38 35.41 3kbi s VAL 19 CO -0.26 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 174.71 3kbi n GLY 20 N -0.17 3.07 0.28 2.32 0.00 -1.26 -1.14 105.19 108.29 3kbi n GLY 20 Ca -0.14 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 45.88 3kbi n GLY 20 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kbi h ASN 21 N 1.37 0.00 0.31 1.61 -0.26 -1.05 -0.99 115.58 116.58 3kbi h ASN 21 Ca 0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.66 3kbi h ASN 21 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 3kbi h ASN 21 CO 0.00 0.04 -0.36 0.03 -1.06 0.00 0.00 177.43 176.08 3kbi h ARG 22 N 0.00 0.07 0.00 0.81 2.47 -1.27 -0.65 114.38 115.80 3kbi h ARG 22 Ca -0.00 -0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 58.56 3kbi h ARG 22 Cb 0.08 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 3kbi h ARG 22 CO 0.00 0.42 -0.99 0.00 0.56 0.00 0.00 179.97 179.97 3kbi h ALA 23 N 1.58 0.65 0.00 0.04 0.00 -1.11 -3.39 119.26 117.02 3kbi h ALA 23 Ca 0.01 -0.63 -0.16 0.00 0.00 0.00 0.00 54.91 54.12 3kbi h ALA 23 Cb 0.67 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3kbi h ALA 23 CO 0.05 0.75 -2.10 0.00 0.00 0.00 0.00 179.25 177.94 3kbi n ALA 24 N -2.31 2.20 0.18 0.00 0.00 -0.84 -4.57 120.51 115.17 3kbi n ALA 24 Ca -0.04 -0.85 -0.08 0.00 0.00 0.00 0.00 53.44 52.46 3kbi n ALA 24 Cb 0.78 -0.54 -0.04 0.00 0.00 0.00 0.00 19.45 19.66 3kbi n ALA 24 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3kbi h THR 25 N 0.00 0.01 -0.32 0.00 2.02 -1.32 -3.08 112.91 110.22 3kbi h THR 25 Ca -0.24 -0.62 0.07 0.00 0.77 0.00 0.00 66.41 66.39 3kbi h THR 25 Cb 1.56 0.02 -0.08 0.00 -1.74 0.00 0.00 68.15 67.90 3kbi h THR 25 CO 0.02 0.00 -0.34 0.15 0.37 0.00 0.00 175.52 175.72 3kbi h PHE 26 N -1.14 -0.95 -0.90 3.16 3.57 -1.80 0.56 116.94 119.44 3kbi h PHE 26 Ca -0.05 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.60 3kbi h PHE 26 Cb 0.41 0.46 -0.07 0.00 2.79 0.00 0.00 35.95 39.54 3kbi h PHE 26 CO 0.00 -0.40 0.55 -1.00 -2.23 0.00 0.00 178.31 175.23 3kbi h PRO 27 N -0.31 0.89 -0.14 6.41 0.13 -1.81 0.14 132.00 137.32 3kbi h PRO 27 Ca 0.14 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 65.10 3kbi h PRO 27 Cb 0.55 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 3kbi h PRO 27 CO -0.49 0.59 -0.45 -0.07 -0.23 0.00 0.00 178.00 177.35 3kbi h LEU 28 N 0.92 0.36 -0.17 1.56 3.38 -1.28 -1.59 115.31 118.48 3kbi h LEU 28 Ca 0.43 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 3kbi h LEU 28 Cb 0.36 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3kbi h LEU 28 CO -0.24 0.76 -0.11 1.56 0.09 0.00 0.00 178.44 180.50 3kbi h GLN 29 N 0.27 0.37 -0.90 1.13 4.20 0.08 -0.23 115.11 120.03 3kbi h GLN 29 Ca 0.02 -0.18 0.13 0.00 0.06 0.00 0.00 58.65 58.69 3kbi h GLN 29 Cb 0.90 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.61 3kbi h GLN 29 CO 0.07 0.71 0.58 0.28 -0.67 0.00 0.00 178.83 179.80 3kbi h VAL 30 N 0.03 0.86 -0.03 -0.54 2.07 -0.64 0.21 116.25 118.22 3kbi h VAL 30 Ca 0.03 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3kbi h VAL 30 Cb 0.62 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3kbi h VAL 30 CO 0.03 0.14 0.00 0.18 0.02 0.00 0.00 177.57 177.94 3kbi n LEU 31 N -4.56 0.36 0.00 2.57 4.77 -0.61 -4.91 117.00 114.61 3kbi n LEU 31 Ca 0.17 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3kbi n LEU 31 Cb 0.43 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3kbi n LEU 31 CO 0.29 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3kbi n GLY 32 N 0.91 0.76 3.79 -0.72 0.00 0.74 -5.06 105.19 105.62 3kbi n GLY 32 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3kbi n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kbi s PHE 33 N -2.27 3.85 -1.25 1.61 0.40 -0.13 -4.76 117.98 115.43 3kbi s PHE 33 Ca 0.00 1.55 -0.16 0.00 -0.60 0.00 0.00 56.93 57.72 3kbi s PHE 33 Cb 0.00 -2.71 0.11 0.00 0.51 0.00 0.00 43.02 40.93 3kbi s PHE 33 CO 0.00 0.49 1.60 -1.21 0.70 0.00 0.00 175.22 176.80 3kbi s GLU 34 N -1.29 4.02 -0.15 0.44 0.41 -0.41 -4.30 118.70 117.42 3kbi s GLU 34 Ca 0.36 -2.22 -0.20 0.00 -0.41 0.00 0.00 54.97 52.50 3kbi s GLU 34 Cb -0.22 -5.33 -0.03 0.00 -1.78 0.00 0.00 34.13 26.77 3kbi s GLU 34 CO 0.24 -2.05 0.59 -1.50 -0.49 0.00 0.00 175.26 172.05 3kbi s ILE 35 N 3.15 5.08 -0.18 -1.63 2.07 -1.26 -1.66 121.20 126.77 3kbi s ILE 35 Ca 0.49 1.16 -0.07 0.00 -1.41 0.00 0.00 60.65 60.81 3kbi s ILE 35 Cb 0.01 -3.92 -0.04 0.00 0.13 0.00 0.00 42.46 38.64 3kbi s ILE 35 CO 0.04 0.21 0.06 -1.81 -1.91 0.00 0.00 174.94 171.53 3kbi s ASP 36 N 0.94 5.60 -0.24 4.50 1.01 0.10 -4.95 116.67 123.64 3kbi s ASP 36 Ca 0.29 0.07 -0.07 0.00 0.71 0.00 0.00 52.55 53.56 3kbi s ASP 36 Cb -0.16 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 41.79 3kbi s ASP 36 CO 0.12 0.17 0.05 0.00 0.21 0.00 0.00 175.17 175.72 3kbi s ALA 37 N 0.37 3.10 -0.31 5.23 0.00 -1.26 -0.95 121.76 127.94 3kbi s ALA 37 Ca 0.03 -1.12 -0.09 0.00 0.00 0.00 0.00 51.96 50.78 3kbi s ALA 37 Cb -0.12 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.00 3kbi s ALA 37 CO 0.00 -0.44 0.14 0.08 0.00 0.00 0.00 175.76 175.55 3kbi s VAL 38 N 1.52 4.45 -0.51 0.00 1.01 -0.28 -4.99 120.40 121.59 3kbi s VAL 38 Ca 0.06 -0.53 -0.24 0.00 0.00 0.00 0.00 61.98 61.26 3kbi s VAL 38 Cb -0.15 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 32.97 3kbi s VAL 38 CO 0.02 0.04 0.91 0.20 0.00 0.00 0.00 175.10 176.27 3kbi s ASN 39 N 1.58 6.39 0.48 3.32 0.02 -1.25 -1.63 114.94 123.85 3kbi s ASN 39 Ca 0.04 -0.19 0.24 0.00 -1.02 0.00 0.00 52.86 51.92 3kbi s ASN 39 Cb -0.17 -2.43 1.20 0.00 0.02 0.00 0.00 41.25 39.87 3kbi s ASN 39 CO 0.05 -1.13 1.97 0.77 0.02 0.00 0.00 177.10 178.79 3kbi h SER 40 N 9.20 0.00 -5.16 -1.22 4.64 -0.87 -3.43 113.55 116.71 3kbi h SER 40 Ca -0.25 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.99 3kbi h SER 40 Cb 1.08 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.04 3kbi h SER 40 CO 1.05 0.19 -0.25 0.68 -0.87 0.00 0.00 176.83 177.63 3kbi s VAL 41 N -4.08 0.10 -0.30 0.95 -7.23 -1.26 -0.29 120.40 108.29 3kbi s VAL 41 Ca -0.02 -1.06 -0.02 0.00 -1.81 0.00 0.00 61.98 59.07 3kbi s VAL 41 Cb 0.13 -1.45 0.10 0.00 0.56 0.00 0.00 36.38 35.71 3kbi s VAL 41 CO 0.62 -0.43 0.11 -1.58 -0.31 0.00 0.00 175.10 173.51 3kbi s GLN 42 N -3.88 0.47 0.23 4.82 0.74 -0.63 -0.51 119.66 120.91 3kbi s GLN 42 Ca 0.08 -0.82 0.09 0.00 0.05 0.00 0.00 55.36 54.76 3kbi s GLN 42 Cb 0.03 -1.62 -0.04 0.00 1.10 0.00 0.00 33.01 32.48 3kbi s GLN 42 CO -0.08 -0.99 -0.01 -0.06 -0.55 0.00 0.00 175.29 173.60 3kbi s PHE 43 N 1.84 2.74 0.32 1.67 0.40 -0.31 -1.80 117.98 122.84 3kbi s PHE 43 Ca 0.09 -0.20 0.20 0.00 -0.60 0.00 0.00 56.93 56.42 3kbi s PHE 43 Cb -0.17 -1.26 0.97 0.00 0.51 0.00 0.00 43.02 43.07 3kbi s PHE 43 CO -0.30 0.58 1.89 0.66 0.70 0.00 0.00 175.22 178.74 3kbi h SER 44 N 2.21 0.00 -5.58 1.36 4.64 -1.37 0.07 113.55 114.88 3kbi h SER 44 Ca -0.45 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 61.15 3kbi h SER 44 Cb 1.23 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.21 3kbi h SER 44 CO 0.59 0.28 0.75 0.54 -0.87 0.00 0.00 176.83 178.11 3kbi s ASN 45 N -6.51 -0.09 0.91 4.97 2.20 -1.26 -1.49 114.94 113.67 3kbi s ASN 45 Ca -0.02 -0.18 -0.11 0.00 -0.94 0.00 0.00 52.86 51.61 3kbi s ASN 45 Cb 0.13 0.23 0.14 0.00 -2.00 0.00 0.00 41.25 39.75 3kbi s ASN 45 CO 0.66 -0.43 1.09 -1.38 -2.94 0.00 0.00 177.10 174.11 3kbi s HIS 46 N -2.62 2.10 -2.00 1.54 -3.43 -1.26 -4.81 115.29 104.82 3kbi s HIS 46 Ca 0.13 1.40 0.05 0.00 -0.80 0.00 0.00 55.06 55.84 3kbi s HIS 46 Cb 0.03 -3.17 0.31 0.00 -1.43 0.00 0.00 32.58 28.33 3kbi s HIS 46 CO -0.03 -2.57 0.96 0.25 -2.00 0.00 0.00 174.74 171.36 3kbi n THR 47 N -4.02 0.00 1.00 -5.38 -2.24 -1.26 -3.16 114.28 99.21 3kbi n THR 47 Ca 0.08 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 3kbi n THR 47 Cb 0.54 -0.25 0.38 0.00 -2.10 0.00 0.00 70.33 68.91 3kbi n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kbi n GLY 48 N 0.28 -1.34 3.90 3.38 0.00 -1.26 -4.88 105.19 105.28 3kbi n GLY 48 Ca 0.04 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 3kbi n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kbi s TYR 49 N -3.00 3.34 0.49 1.61 1.51 -1.19 -4.92 117.35 115.18 3kbi s TYR 49 Ca 0.12 0.83 0.13 0.00 -1.01 0.00 0.00 57.07 57.14 3kbi s TYR 49 Cb 0.18 -2.78 1.14 0.00 -0.11 0.00 0.00 41.96 40.39 3kbi s TYR 49 CO 0.64 -0.85 2.12 0.00 -1.11 0.00 0.00 175.55 176.34 3kbi h ALA 50 N -0.27 1.90 -2.24 3.71 0.00 -1.92 -3.43 119.26 117.00 3kbi h ALA 50 Ca -0.45 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.17 3kbi h ALA 50 Cb 1.24 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 3kbi h ALA 50 CO 0.62 0.09 -0.69 -1.01 0.00 0.00 0.00 179.25 178.25 3kbi s HIS 51 N -5.16 1.08 -0.26 0.00 3.76 -1.26 -5.16 115.29 108.30 3kbi s HIS 51 Ca -0.06 -0.90 -0.27 0.00 -0.15 0.00 0.00 55.06 53.68 3kbi s HIS 51 Cb 0.17 -0.60 0.16 0.00 1.11 0.00 0.00 32.58 33.42 3kbi s HIS 51 CO 0.69 -0.11 1.21 1.67 -0.85 0.00 0.00 174.74 177.36 3kbi s TRP 52 N -3.56 -0.24 0.09 1.40 1.48 -1.26 -4.88 118.94 111.97 3kbi s TRP 52 Ca 0.17 0.52 -0.00 0.00 -1.06 0.00 0.00 56.10 55.72 3kbi s TRP 52 Cb 0.05 0.44 -0.04 0.00 -1.16 0.00 0.00 33.47 32.76 3kbi s TRP 52 CO -0.01 -0.15 -0.01 0.15 -4.06 0.00 0.00 176.95 172.86 3kbi s LYS 53 N -0.37 0.76 0.00 3.25 -0.14 -1.26 -5.00 119.74 116.98 3kbi s LYS 53 Ca 0.04 -1.31 0.00 0.00 -1.36 0.00 0.00 55.97 53.34 3kbi s LYS 53 Cb -0.03 0.11 0.00 0.00 -1.68 0.00 0.00 37.83 36.23 3kbi s LYS 53 CO -0.08 -0.13 0.00 0.41 -0.76 0.00 0.00 175.35 174.79 3kbi n GLY 54 N 0.01 -2.69 3.42 -3.33 0.00 -1.26 -0.97 105.19 100.36 3kbi n GLY 54 Ca -0.11 -1.31 -0.21 0.00 0.00 0.00 0.00 46.02 44.38 3kbi n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kbi s GLN 55 N -2.00 1.52 0.07 1.61 1.11 -0.75 -4.97 119.66 116.25 3kbi s GLN 55 Ca 0.00 -1.72 0.09 0.00 0.01 0.00 0.00 55.36 53.74 3kbi s GLN 55 Cb 0.00 -1.36 -0.03 0.00 -1.01 0.00 0.00 33.01 30.61 3kbi s GLN 55 CO 0.00 0.19 -0.22 0.08 0.01 0.00 0.00 175.29 175.34 3kbi s VAL 56 N -2.82 2.49 -0.06 1.09 1.01 -1.26 -1.60 120.40 119.25 3kbi s VAL 56 Ca 0.27 -1.39 -0.24 0.00 0.00 0.00 0.00 61.98 60.63 3kbi s VAL 56 Cb -0.01 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3kbi s VAL 56 CO 0.11 0.28 0.71 -0.22 0.00 0.00 0.00 175.10 175.98 3kbi s LEU 57 N -1.56 4.32 0.46 3.92 2.96 0.61 -4.98 118.68 124.41 3kbi s LEU 57 Ca 0.14 1.21 0.02 0.00 -0.22 0.00 0.00 54.13 55.28 3kbi s LEU 57 Cb -0.10 -3.10 0.01 0.00 0.50 0.00 0.00 46.19 43.49 3kbi s LEU 57 CO 0.05 -0.12 0.66 0.54 -1.32 0.00 0.00 176.35 176.16 3kbi s ASN 58 N 0.77 5.71 0.58 3.68 2.20 -1.26 -4.91 114.94 121.72 3kbi s ASN 58 Ca 0.38 0.11 0.28 0.00 -0.94 0.00 0.00 52.86 52.69 3kbi s ASN 58 Cb -0.18 -1.28 1.76 0.00 -2.00 0.00 0.00 41.25 39.55 3kbi s ASN 58 CO 0.19 -0.77 2.24 0.77 -2.94 0.00 0.00 177.10 176.59 3kbi h SER 59 N 0.41 0.00 -0.10 3.54 4.64 -1.93 -1.51 113.55 118.60 3kbi h SER 59 Ca -0.45 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.67 3kbi h SER 59 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3kbi h SER 59 CO 0.55 0.01 -0.71 0.44 -0.87 0.00 0.00 176.83 176.25 3kbi h ASP 60 N 0.00 0.85 -0.23 4.97 3.32 -1.95 -2.32 116.42 121.06 3kbi h ASP 60 Ca -0.00 -0.53 -0.12 0.00 0.02 0.00 0.00 57.03 56.41 3kbi h ASP 60 Cb 0.02 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3kbi h ASP 60 CO 0.00 1.31 -0.25 -0.33 -1.72 0.00 0.00 179.24 178.25 3kbi h GLU 61 N 0.52 0.71 -0.67 3.56 5.08 -1.69 -1.44 114.58 120.65 3kbi h GLU 61 Ca -0.03 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 3kbi h GLU 61 Cb 1.32 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 3kbi h GLU 61 CO 0.14 0.89 0.25 1.25 -1.00 0.00 0.00 179.01 180.54 3kbi h LEU 62 N 0.62 0.94 -0.53 1.33 5.85 -1.32 -1.44 115.31 120.76 3kbi h LEU 62 Ca 0.08 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 3kbi h LEU 62 Cb 0.75 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3kbi h LEU 62 CO 0.06 0.87 0.11 -0.61 -0.34 0.00 0.00 178.44 178.53 3kbi h GLN 63 N 0.95 0.85 -0.41 1.25 4.15 -1.08 -1.36 115.11 119.47 3kbi h GLN 63 Ca 0.22 -0.21 -0.10 0.00 0.77 0.00 0.00 58.65 59.33 3kbi h GLN 63 Cb 0.24 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 3kbi h GLN 63 CO -0.01 0.82 -0.15 1.05 -1.93 0.00 0.00 178.83 178.61 3kbi h GLU 64 N 0.74 0.76 -0.79 1.69 4.11 -1.05 0.14 114.58 120.19 3kbi h GLU 64 Ca 0.16 -0.27 -0.03 0.00 0.07 0.00 0.00 59.36 59.30 3kbi h GLU 64 Cb 0.36 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 3kbi h GLU 64 CO 0.01 0.87 0.38 -0.07 0.07 0.00 0.00 179.01 180.26 3kbi h LEU 65 N 0.68 1.03 -0.67 3.06 3.38 -1.04 -1.19 115.31 120.55 3kbi h LEU 65 Ca 0.11 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 3kbi h LEU 65 Cb 0.63 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3kbi h LEU 65 CO 0.04 0.87 -0.23 0.22 0.09 0.00 0.00 178.44 179.43 3kbi h TYR 66 N 1.11 0.89 -0.94 1.13 3.20 -0.86 -2.66 116.97 118.84 3kbi h TYR 66 Ca 0.27 -0.21 0.05 0.00 3.14 0.00 0.00 58.73 61.98 3kbi h TYR 66 Cb 0.12 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.12 3kbi h TYR 66 CO 0.01 0.94 0.61 0.93 -1.64 0.00 0.00 178.16 179.01 3kbi h GLU 67 N 0.68 1.09 -0.53 1.82 5.08 0.09 0.73 114.58 123.54 3kbi h GLU 67 Ca 0.09 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3kbi h GLU 67 Cb 0.75 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3kbi h GLU 67 CO 0.06 0.72 0.30 0.78 -1.00 0.00 0.00 179.01 179.87 3kbi h GLY 68 N 1.13 0.79 0.87 -3.84 0.00 -0.89 0.33 103.07 101.46 3kbi h GLY 68 Ca 0.39 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 3kbi h GLY 68 CO -0.14 0.34 0.02 1.41 0.00 0.00 0.00 176.54 178.18 3kbi h LEU 69 N 0.71 0.45 -0.11 3.11 3.38 -1.14 -2.77 115.31 118.94 3kbi h LEU 69 Ca 0.19 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kbi h LEU 69 Cb 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3kbi h LEU 69 CO -0.03 0.62 0.06 -0.09 0.09 0.00 0.00 178.44 179.09 3kbi h ARG 70 N 0.26 0.13 -0.80 1.13 2.43 -0.66 0.31 114.38 117.17 3kbi h ARG 70 Ca 0.08 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.38 3kbi h ARG 70 Cb 0.38 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 3kbi h ARG 70 CO 0.01 0.08 0.53 -0.07 -1.51 0.00 0.00 179.97 179.01 3kbi h LEU 71 N 0.13 0.51 -1.23 3.80 3.38 -0.89 0.19 115.31 121.20 3kbi h LEU 71 Ca 0.04 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kbi h LEU 71 Cb -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3kbi h LEU 71 CO -0.02 0.26 0.00 0.59 0.09 0.00 0.00 178.44 179.36 3kbi n ASN 72 N -4.51 1.85 -2.31 -0.43 3.02 -0.97 -4.92 115.26 107.00 3kbi n ASN 72 Ca 0.15 -1.75 -0.18 0.00 -0.03 0.00 0.00 54.58 52.77 3kbi n ASN 72 Cb 0.49 -0.13 0.02 0.00 -0.61 0.00 0.00 39.78 39.55 3kbi n ASN 72 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kbi n ASN 73 N 0.45 -5.20 -1.59 6.41 4.13 0.68 -4.89 115.26 115.24 3kbi n ASN 73 Ca 0.16 -0.16 0.01 0.00 1.68 0.00 0.00 54.58 56.27 3kbi n ASN 73 Cb 0.35 -4.13 0.30 0.00 -1.54 0.00 0.00 39.78 34.77 3kbi n ASN 73 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3kbi n MET 74 N -3.16 3.54 -1.73 3.52 2.81 0.10 -4.62 117.12 117.58 3kbi n MET 74 Ca -0.13 -3.05 -0.35 0.00 -1.81 0.00 0.00 57.70 52.35 3kbi n MET 74 Cb 0.62 -2.09 0.01 0.00 -0.71 0.00 0.00 33.22 31.05 3kbi n MET 74 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3kbi n ASN 75 N -0.21 7.21 -3.89 7.83 6.94 -1.24 -4.81 115.26 127.09 3kbi n ASN 75 Ca 0.32 -3.63 -0.30 0.00 -0.02 0.00 0.00 54.58 50.95 3kbi n ASN 75 Cb 1.18 -1.11 -0.15 0.00 -2.36 0.00 0.00 39.78 37.34 3kbi n ASN 75 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3kbi s LYS 76 N -3.32 1.19 0.11 -3.83 1.02 -1.26 -4.85 119.74 108.80 3kbi s LYS 76 Ca 0.54 -1.41 0.09 0.00 0.02 0.00 0.00 55.97 55.22 3kbi s LYS 76 Cb 0.42 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 35.08 3kbi s LYS 76 CO -0.33 -0.90 -0.24 0.71 -0.92 0.00 0.00 175.35 173.67 3kbi s TYR 77 N 1.27 2.04 -0.13 3.18 1.51 -1.26 -4.90 117.35 119.06 3kbi s TYR 77 Ca 0.08 -0.40 0.17 0.00 -1.01 0.00 0.00 57.07 55.91 3kbi s TYR 77 Cb -0.18 -1.12 -0.12 0.00 -0.11 0.00 0.00 41.96 40.43 3kbi s TYR 77 CO -0.15 0.26 0.85 -0.44 -1.11 0.00 0.00 175.55 174.96 3kbi h ASP 78 N 4.04 0.00 -5.06 2.29 3.32 -1.66 -3.42 116.42 115.93 3kbi h ASP 78 Ca -0.48 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 3kbi h ASP 78 Cb 1.17 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.54 3kbi h ASP 78 CO 0.40 0.54 -0.51 -0.31 -1.72 0.00 0.00 179.24 177.64 3kbi s TYR 79 N -2.95 0.16 -0.01 4.55 1.51 -0.70 -1.35 117.35 118.57 3kbi s TYR 79 Ca -0.03 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.66 3kbi s TYR 79 Cb 0.09 -0.11 -0.01 0.00 -0.11 0.00 0.00 41.96 41.81 3kbi s TYR 79 CO 0.81 -0.35 -0.13 0.08 -1.11 0.00 0.00 175.55 174.85 3kbi s VAL 80 N -2.36 0.99 -0.06 0.71 1.01 -0.86 -1.38 120.40 118.46 3kbi s VAL 80 Ca -0.07 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3kbi s VAL 80 Cb -0.02 -0.83 0.02 0.00 0.00 0.00 0.00 36.38 35.55 3kbi s VAL 80 CO -0.03 0.26 -0.04 -0.22 0.00 0.00 0.00 175.10 175.07 3kbi s LEU 81 N -0.34 1.18 0.07 3.92 2.96 0.37 -0.59 118.68 126.24 3kbi s LEU 81 Ca 0.05 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 3kbi s LEU 81 Cb -0.05 -0.49 -0.04 0.00 0.50 0.00 0.00 46.19 46.11 3kbi s LEU 81 CO -0.00 -0.08 -0.05 0.42 -1.32 0.00 0.00 176.35 175.31 3kbi s THR 82 N 1.18 0.47 0.00 3.68 -4.23 -0.94 -1.01 115.64 114.79 3kbi s THR 82 Ca -0.07 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 3kbi s THR 82 Cb -0.14 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.32 3kbi s THR 82 CO -0.01 -0.82 0.00 0.61 -0.54 0.00 0.00 174.62 173.85 3kbi n GLY 83 N 0.33 4.02 3.69 3.99 0.00 -1.26 -1.48 105.19 114.48 3kbi n GLY 83 Ca -0.15 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 3kbi n GLY 83 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kbi s TYR 84 N 2.89 2.07 -0.01 1.61 6.14 -1.26 -4.48 117.35 124.31 3kbi s TYR 84 Ca 0.00 -0.04 -0.01 0.00 0.64 0.00 0.00 57.07 57.66 3kbi s TYR 84 Cb 0.00 -4.17 0.01 0.00 0.42 0.00 0.00 41.96 38.22 3kbi s TYR 84 CO 0.00 -4.85 0.03 0.99 0.64 0.00 0.00 175.55 172.36 3kbi s THR 85 N 2.92 -0.01 -0.02 4.34 2.01 -1.26 -4.72 115.64 118.91 3kbi s THR 85 Ca 0.81 0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.91 3kbi s THR 85 Cb -0.45 -0.05 -0.11 0.00 0.01 0.00 0.00 72.50 71.89 3kbi s THR 85 CO 0.36 0.01 0.15 -1.14 -0.69 0.00 0.00 174.62 173.32 3kbi n ARG 86 N 3.22 0.49 -3.31 4.92 0.63 -1.26 -4.95 116.66 116.41 3kbi n ARG 86 Ca -0.14 -0.06 -0.38 0.00 -0.92 0.00 0.00 57.85 56.34 3kbi n ARG 86 Cb 0.59 -1.18 -0.07 0.00 0.45 0.00 0.00 32.46 32.25 3kbi n ARG 86 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3kbi s ASP 87 N -2.97 6.57 0.05 6.15 1.11 -1.26 -4.62 116.67 121.70 3kbi s ASP 87 Ca -0.03 0.68 -0.26 0.00 0.18 0.00 0.00 52.55 53.12 3kbi s ASP 87 Cb 0.05 -2.27 -0.17 0.00 1.07 0.00 0.00 42.92 41.59 3kbi s ASP 87 CO 0.31 -0.09 1.55 0.50 1.18 0.00 0.00 175.17 178.62 3kbi h LYS 88 N 7.17 -0.25 -0.32 8.23 3.64 -1.94 -0.73 116.57 132.37 3kbi h LYS 88 Ca -0.37 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.99 3kbi h LYS 88 Cb 1.16 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 3kbi h LYS 88 CO 0.74 -0.06 0.04 0.66 -2.27 0.00 0.00 179.45 178.56 3kbi h SER 89 N -0.40 0.44 -0.06 4.20 4.64 -1.99 -0.76 113.55 119.61 3kbi h SER 89 Ca -0.03 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 3kbi h SER 89 Cb 0.31 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3kbi h SER 89 CO 0.04 0.48 0.00 0.15 -0.87 0.00 0.00 176.83 176.63 3kbi h PHE 90 N 0.46 0.12 -0.93 4.77 3.57 -1.91 -0.48 116.94 122.54 3kbi h PHE 90 Ca 0.11 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3kbi h PHE 90 Cb 0.25 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 3kbi h PHE 90 CO 0.01 0.38 0.57 1.25 -2.23 0.00 0.00 178.31 178.28 3kbi h LEU 91 N -0.17 1.12 -0.76 0.59 5.85 -0.87 0.44 115.31 121.51 3kbi h LEU 91 Ca 0.02 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3kbi h LEU 91 Cb 0.32 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3kbi h LEU 91 CO 0.00 0.85 0.43 0.00 -0.34 0.00 0.00 178.44 179.38 3kbi h ALA 92 N 1.31 0.97 -0.68 1.25 0.00 -0.95 -1.33 119.26 119.83 3kbi h ALA 92 Ca 0.34 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3kbi h ALA 92 Cb -0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 3kbi h ALA 92 CO -0.06 0.47 0.21 1.98 0.00 0.00 0.00 179.25 181.85 3kbi h MET 93 N 1.05 1.04 -0.61 0.00 1.85 -0.15 -2.40 114.93 115.71 3kbi h MET 93 Ca 0.27 -0.21 0.00 0.00 -0.61 0.00 0.00 59.70 59.15 3kbi h MET 93 Cb 0.01 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 31.86 3kbi h MET 93 CO -0.05 0.89 0.39 0.28 -0.40 0.00 0.00 176.91 178.03 3kbi h VAL 94 N 1.00 1.16 -0.43 -5.77 2.07 0.04 -1.89 116.25 112.43 3kbi h VAL 94 Ca 0.22 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.31 3kbi h VAL 94 Cb 0.28 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3kbi h VAL 94 CO -0.01 0.16 -0.24 -0.37 0.02 0.00 0.00 177.57 177.13 3kbi h VAL 95 N 0.82 1.27 -0.90 2.57 -1.51 -1.04 -0.81 116.25 116.65 3kbi h VAL 95 Ca 0.22 -1.38 0.07 0.00 -1.23 0.00 0.00 66.70 64.38 3kbi h VAL 95 Cb -0.08 1.19 -0.06 0.00 -2.13 0.00 0.00 31.29 30.20 3kbi h VAL 95 CO -0.05 0.47 0.56 0.44 -1.23 0.00 0.00 177.57 177.76 3kbi h ASP 96 N 0.76 0.88 -0.05 4.19 3.32 -1.12 0.45 116.42 124.85 3kbi h ASP 96 Ca 0.10 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3kbi h ASP 96 Cb 0.78 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 3kbi h ASP 96 CO 0.06 0.55 -0.01 0.40 -1.72 0.00 0.00 179.24 178.53 3kbi h ILE 97 N 1.01 1.28 -0.87 0.35 2.04 -1.02 -1.42 117.51 118.89 3kbi h ILE 97 Ca 0.40 -0.88 0.05 0.00 1.00 0.00 0.00 64.86 65.42 3kbi h ILE 97 Cb 0.20 1.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.99 3kbi h ILE 97 CO -0.18 0.24 0.55 0.58 0.00 0.00 0.00 178.15 179.34 3kbi h VAL 98 N -0.23 1.10 -0.08 1.67 2.07 -0.73 0.30 116.25 120.33 3kbi h VAL 98 Ca 0.01 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.21 3kbi h VAL 98 Cb 0.39 -0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 3kbi h VAL 98 CO 0.00 0.19 -0.45 -0.61 0.02 0.00 0.00 177.57 176.73 3kbi h GLN 99 N 1.04 -0.52 -0.52 1.57 5.75 0.13 0.34 115.11 122.89 3kbi h GLN 99 Ca 0.36 0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.84 3kbi h GLN 99 Cb 0.08 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 3kbi h GLN 99 CO -0.14 -0.35 0.10 1.49 -2.65 0.00 0.00 178.83 177.28 3kbi h GLU 100 N -0.54 0.84 -0.41 1.69 4.81 -0.48 -0.69 114.58 119.80 3kbi h GLU 100 Ca 0.06 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3kbi h GLU 100 Cb 0.65 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 3kbi h GLU 100 CO -0.38 0.82 0.27 -0.07 -0.73 0.00 0.00 179.01 178.93 3kbi h LEU 101 N 0.73 0.39 -0.43 1.64 3.38 0.07 0.42 115.31 121.52 3kbi h LEU 101 Ca 0.16 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 3kbi h LEU 101 Cb 0.37 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3kbi h LEU 101 CO 0.01 0.27 -0.72 0.11 0.09 0.00 0.00 178.44 178.21 3kbi h LYS 102 N 0.46 0.38 -0.42 1.13 1.57 0.14 0.29 116.57 120.12 3kbi h LYS 102 Ca 0.16 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 3kbi h LYS 102 Cb 0.09 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3kbi h LYS 102 CO -0.04 0.95 0.09 1.96 -0.57 0.00 0.00 179.45 181.84 3kbi h GLN 103 N 0.26 0.68 -0.67 3.15 4.20 0.53 -2.31 115.11 120.96 3kbi h GLN 103 Ca -0.03 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.44 3kbi h GLN 103 Cb 1.28 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.95 3kbi h GLN 103 CO 0.12 0.70 0.15 0.37 -0.67 0.00 0.00 178.83 179.51 3kbi h GLN 104 N 0.55 1.08 -2.98 1.46 5.75 -0.05 -3.39 115.11 117.53 3kbi h GLN 104 Ca 0.13 -0.27 -0.56 0.00 -0.15 0.00 0.00 58.65 57.80 3kbi h GLN 104 Cb 0.34 -0.14 -0.40 0.00 1.07 0.00 0.00 27.48 28.35 3kbi h GLN 104 CO 0.00 0.97 -0.78 1.21 -2.65 0.00 0.00 178.83 177.58 3kbi s ASN 105 N -6.41 3.56 0.45 -0.69 2.47 0.10 -5.01 114.94 109.41 3kbi s ASN 105 Ca -0.12 -1.73 0.24 0.00 0.42 0.00 0.00 52.86 51.66 3kbi s ASN 105 Cb 0.14 -0.58 1.24 0.00 -1.45 0.00 0.00 41.25 40.60 3kbi s ASN 105 CO 0.84 -0.39 1.80 -0.65 -3.72 0.00 0.00 177.10 174.98 3kbi h PRO 106 N 7.82 0.26 -0.00 0.43 0.11 -1.62 -0.74 132.00 138.26 3kbi h PRO 106 Ca -0.10 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3kbi h PRO 106 Cb 0.99 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3kbi h PRO 106 CO 0.41 0.17 -0.00 0.54 -0.21 0.00 0.00 178.00 178.92 3kbi n ARG 107 N -4.48 1.05 -1.69 1.05 1.74 -1.26 -4.91 116.66 108.16 3kbi n ARG 107 Ca 0.24 -0.08 -0.44 0.00 -0.77 0.00 0.00 57.85 56.80 3kbi n ARG 107 Cb 0.94 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.85 3kbi n ARG 107 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3kbi n LEU 108 N -0.90 3.57 -4.55 0.55 0.00 -0.29 -4.97 117.00 110.42 3kbi n LEU 108 Ca 0.24 1.07 -0.37 0.00 0.00 0.00 0.00 56.01 56.95 3kbi n LEU 108 Cb 0.13 -1.50 -0.11 0.00 0.00 0.00 0.00 43.42 41.93 3kbi n LEU 108 CO 0.18 -0.04 -0.22 -0.69 0.00 0.00 0.00 177.39 176.62 3kbi s VAL 109 N 1.04 4.89 -0.39 1.96 1.01 -0.45 -4.98 120.40 123.47 3kbi s VAL 109 Ca 0.77 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 62.63 3kbi s VAL 109 Cb -0.59 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.50 3kbi s VAL 109 CO 0.35 0.31 0.29 -0.47 0.00 0.00 0.00 175.10 175.58 3kbi s TYR 110 N 1.52 3.23 -0.28 5.22 5.04 -1.26 -2.02 117.35 128.80 3kbi s TYR 110 Ca 0.06 -0.47 -0.16 0.00 -2.44 0.00 0.00 57.07 54.06 3kbi s TYR 110 Cb -0.15 -2.58 -0.03 0.00 0.35 0.00 0.00 41.96 39.55 3kbi s TYR 110 CO 0.07 -0.53 0.42 0.08 -1.34 0.00 0.00 175.55 174.24 3kbi s VAL 111 N 1.72 5.13 -0.10 3.14 1.01 0.25 -1.08 120.40 130.47 3kbi s VAL 111 Ca 0.06 0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.66 3kbi s VAL 111 Cb -0.18 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.45 3kbi s VAL 111 CO 0.10 0.09 -0.17 0.00 0.00 0.00 0.00 175.10 175.13 3kbi s ASP 113 N 0.74 5.71 -1.04 0.00 2.15 -0.55 -2.38 116.67 121.28 3kbi s ASP 113 Ca -0.12 -1.52 -0.13 0.00 0.43 0.00 0.00 52.55 51.21 3kbi s ASP 113 Cb -0.16 -2.01 -0.08 0.00 -0.30 0.00 0.00 42.92 40.37 3kbi s ASP 113 CO 0.02 -0.57 2.18 -2.65 -0.17 0.00 0.00 175.17 173.99 3kbi n PRO 114 N 4.95 2.22 -1.72 4.34 -0.02 -1.26 -4.19 135.00 139.32 3kbi n PRO 114 Ca -0.10 -1.86 -0.42 0.00 -2.02 0.00 0.00 63.50 59.09 3kbi n PRO 114 Cb 0.43 -2.78 -0.03 0.00 -0.02 0.00 0.00 33.50 31.09 3kbi n PRO 114 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kbi s VAL 115 N 3.75 3.12 0.00 -1.45 1.01 -1.26 -4.72 120.40 120.85 3kbi s VAL 115 Ca 0.51 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.62 3kbi s VAL 115 Cb 0.13 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.40 3kbi s VAL 115 CO 0.01 -0.04 0.00 0.18 0.00 0.00 0.00 175.10 175.25 3kbi n LEU 116 N 8.96 1.01 0.00 3.92 4.77 -1.26 -4.72 117.00 129.67 3kbi n LEU 116 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3kbi n LEU 116 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3kbi n LEU 116 CO 0.67 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 3kbi n GLY 117 N 2.29 -0.77 3.65 -0.72 0.00 -1.26 0.12 105.19 108.50 3kbi n GLY 117 Ca 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 3kbi n GLY 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kbi s ASP 118 N -4.00 -0.40 -0.27 1.61 2.15 -0.55 -4.60 116.67 110.61 3kbi s ASP 118 Ca 0.00 -0.31 -0.01 0.00 0.43 0.00 0.00 52.55 52.66 3kbi s ASP 118 Cb 0.00 0.66 0.04 0.00 -0.30 0.00 0.00 42.92 43.32 3kbi s ASP 118 CO 0.00 -1.15 -0.05 -0.54 -0.17 0.00 0.00 175.17 173.26 3kbi s LYS 119 N -3.81 2.58 0.00 4.34 1.02 -1.26 -0.83 119.74 121.78 3kbi s LYS 119 Ca 0.06 -1.14 0.00 0.00 0.02 0.00 0.00 55.97 54.91 3kbi s LYS 119 Cb -0.03 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 3kbi s LYS 119 CO -0.03 -0.50 0.00 0.91 -0.92 0.00 0.00 175.35 174.81 3kbi n TRP 120 N 4.61 0.00 0.05 3.18 5.03 -1.20 -4.74 117.44 124.37 3kbi n TRP 120 Ca -0.15 0.00 -0.05 0.00 3.03 0.00 0.00 57.50 60.33 3kbi n TRP 120 Cb 0.45 0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 30.70 3kbi n TRP 120 CO 0.00 0.00 0.00 -0.44 -0.03 0.00 0.00 177.69 177.22 3kbi h ASP 121 N 0.00 -0.41 0.00 -0.99 3.32 -2.04 -3.45 116.42 112.85 3kbi h ASP 121 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3kbi h ASP 121 Cb 0.00 0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3kbi h ASP 121 CO 0.00 -0.17 0.00 0.61 -1.72 0.00 0.00 179.24 177.96 3kbi n GLY 122 N -1.14 0.13 3.76 2.75 0.00 -1.26 -5.12 105.19 104.31 3kbi n GLY 122 Ca -0.03 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3kbi n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kbi s GLU 123 N -1.00 2.76 -0.19 1.61 2.12 -1.26 -4.94 118.70 117.79 3kbi s GLU 123 Ca 0.00 1.49 -0.10 0.00 0.36 0.00 0.00 54.97 56.73 3kbi s GLU 123 Cb 0.00 -1.94 -0.05 0.00 0.26 0.00 0.00 34.13 32.40 3kbi s GLU 123 CO 0.00 -1.30 0.12 0.20 -0.54 0.00 0.00 175.26 173.74 3kbi s GLY 124 N -2.36 2.04 -0.07 -1.50 0.00 -1.26 -3.21 107.32 100.95 3kbi s GLY 124 Ca 0.69 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.75 3kbi s GLY 124 CO 0.40 0.10 -0.14 -1.35 0.00 0.00 0.00 173.10 172.11 3kbi s SER 125 N 0.26 4.01 0.05 1.64 1.04 -0.01 -5.00 113.70 115.70 3kbi s SER 125 Ca 0.08 -0.24 -0.14 0.00 0.48 0.00 0.00 55.95 56.13 3kbi s SER 125 Cb -0.11 -1.07 -0.06 0.00 0.10 0.00 0.00 66.02 64.88 3kbi s SER 125 CO -0.01 0.29 0.45 -0.32 0.98 0.00 0.00 173.24 174.63 3kbi s MET 126 N -0.41 3.93 0.00 4.02 1.75 -1.26 -1.48 119.30 125.86 3kbi s MET 126 Ca 0.05 0.42 0.15 0.00 -1.25 0.00 0.00 55.69 55.06 3kbi s MET 126 Cb -0.12 -3.13 -0.12 0.00 2.84 0.00 0.00 34.83 34.29 3kbi s MET 126 CO 0.02 0.63 0.69 0.66 -0.65 0.00 0.00 175.02 176.37 3kbi n TYR 127 N 1.46 0.00 -4.03 4.11 4.01 0.12 -4.94 117.16 117.89 3kbi n TYR 127 Ca -0.11 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.55 3kbi n TYR 127 Cb 0.52 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.45 3kbi n TYR 127 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3kbi s VAL 128 N -2.29 0.16 0.31 -0.72 0.11 -1.17 -5.00 120.40 111.81 3kbi s VAL 128 Ca 0.08 -1.35 -0.28 0.00 -2.93 0.00 0.00 61.98 57.49 3kbi s VAL 128 Cb 0.12 -0.89 -0.13 0.00 -1.53 0.00 0.00 36.38 33.94 3kbi s VAL 128 CO 0.56 -0.74 1.11 -2.65 -3.33 0.00 0.00 175.10 170.05 3kbi n PRO 129 N 0.85 1.63 0.00 1.54 -0.02 -1.26 -4.82 135.00 132.92 3kbi n PRO 129 Ca -0.19 0.57 0.07 0.00 -2.02 0.00 0.00 63.50 61.93 3kbi n PRO 129 Cb 0.58 -2.02 0.36 0.00 -0.02 0.00 0.00 33.50 32.40 3kbi n PRO 129 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kbi n GLU 130 N 0.69 0.21 0.00 -0.52 1.02 -1.26 -2.40 120.64 118.39 3kbi n GLU 130 Ca 0.08 0.14 0.13 0.00 -0.02 0.00 0.00 57.16 57.49 3kbi n GLU 130 Cb 0.33 -1.50 0.75 0.00 -0.02 0.00 0.00 31.44 31.01 3kbi n GLU 130 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3kbi n ASP 131 N -1.27 0.00 -0.04 1.62 5.75 -1.26 -2.99 116.55 118.36 3kbi n ASP 131 Ca 0.07 -0.64 -0.08 0.00 -0.01 0.00 0.00 54.79 54.13 3kbi n ASP 131 Cb 0.11 -0.07 -0.14 0.00 -1.03 0.00 0.00 41.12 39.99 3kbi n ASP 131 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3kbi n LEU 132 N -1.07 0.66 -0.20 -2.12 4.32 -1.01 -4.37 117.00 113.21 3kbi n LEU 132 Ca 0.18 0.31 0.00 0.00 -0.02 0.00 0.00 56.01 56.49 3kbi n LEU 132 Cb 0.12 0.24 0.09 0.00 -1.62 0.00 0.00 43.42 42.24 3kbi n LEU 132 CO 0.16 0.39 0.81 0.25 -1.22 0.00 0.00 177.39 177.79 3kbi h LEU 133 N 0.00 -0.33 -1.15 2.23 5.85 -1.75 -0.05 115.31 120.11 3kbi h LEU 133 Ca -0.33 0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.57 3kbi h LEU 133 Cb 2.03 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 43.30 3kbi h LEU 133 CO 0.06 -0.13 0.58 -0.65 -0.34 0.00 0.00 178.44 177.96 3kbi h PRO 134 N 0.09 1.09 -0.33 5.25 0.11 -1.77 -0.72 132.00 135.71 3kbi h PRO 134 Ca 0.31 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.32 3kbi h PRO 134 Cb 0.49 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3kbi h PRO 134 CO -0.54 0.72 0.07 0.28 -0.21 0.00 0.00 178.00 178.33 3kbi h VAL 135 N 1.12 1.23 -0.17 3.15 2.07 -1.29 0.45 116.25 122.81 3kbi h VAL 135 Ca 0.34 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3kbi h VAL 135 Cb -0.03 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3kbi h VAL 135 CO -0.09 0.26 0.09 1.88 0.02 0.00 0.00 177.57 179.73 3kbi h TYR 136 N 0.39 0.23 0.14 1.57 0.05 -0.64 0.89 116.97 119.60 3kbi h TYR 136 Ca 0.10 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 3kbi h TYR 136 Cb 0.32 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.98 3kbi h TYR 136 CO 0.02 0.23 -0.07 0.87 -1.05 0.00 0.00 178.16 178.16 3kbi h LYS 137 N 0.16 -0.18 0.00 4.88 1.57 -1.06 0.92 116.57 122.86 3kbi h LYS 137 Ca 0.06 0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.65 3kbi h LYS 137 Cb 0.08 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3kbi h LYS 137 CO -0.01 -0.06 -1.06 0.93 -0.57 0.00 0.00 179.45 178.68 3kbi h GLU 138 N -0.26 0.00 0.00 3.15 5.08 -0.90 -3.39 114.58 118.26 3kbi h GLU 138 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kbi h GLU 138 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3kbi h GLU 138 CO 0.03 0.81 -0.74 1.63 -1.00 0.00 0.00 179.01 179.74 3kbi n LYS 139 N -3.26 0.32 0.00 2.33 5.02 0.22 -4.74 118.16 118.05 3kbi n LYS 139 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3kbi n LYS 139 Cb 0.92 -0.87 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 3kbi n LYS 139 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3kbi n VAL 140 N -2.17 0.00 -0.29 -0.18 0.31 -0.64 -3.45 118.33 111.91 3kbi n VAL 140 Ca 0.00 0.90 0.11 0.00 -0.01 0.00 0.00 64.34 65.34 3kbi n VAL 140 Cb 0.37 -1.83 0.26 0.00 -0.91 0.00 0.00 33.84 31.73 3kbi n VAL 140 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3kbi h VAL 141 N 0.00 0.33 -0.17 2.52 2.07 -1.06 0.39 116.25 120.33 3kbi h VAL 141 Ca 0.00 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.50 3kbi h VAL 141 Cb 0.00 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3kbi h VAL 141 CO 0.00 0.04 0.15 -0.65 0.02 0.00 0.00 177.57 177.12 3kbi h PRO 142 N 0.20 0.00 0.00 1.57 0.11 -1.71 -1.71 132.00 130.46 3kbi h PRO 142 Ca 0.53 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.47 3kbi h PRO 142 Cb 1.03 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3kbi h PRO 142 CO -0.65 0.00 -1.21 -0.07 -0.21 0.00 0.00 178.00 175.86 3kbi h LEU 143 N 0.00 0.00-10.09 2.35 3.38 -0.28 -3.44 115.31 107.23 3kbi h LEU 143 Ca 0.08 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.55 3kbi h LEU 143 Cb 0.38 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.20 3kbi h LEU 143 CO -0.00 0.62 0.43 0.00 0.09 0.00 0.00 178.44 179.58 3kbi s ALA 144 N -2.89 2.66 -0.05 1.53 0.00 -0.64 -4.76 121.76 117.60 3kbi s ALA 144 Ca -0.01 0.83 0.09 0.00 0.00 0.00 0.00 51.96 52.87 3kbi s ALA 144 Cb 0.08 -3.37 -0.14 0.00 0.00 0.00 0.00 23.12 19.70 3kbi s ALA 144 CO 0.80 -0.85 0.13 -0.25 0.00 0.00 0.00 175.76 175.59 3kbi n ASP 145 N -1.41 2.71 -3.74 0.00 9.92 -0.24 -2.57 116.55 121.21 3kbi n ASP 145 Ca 0.12 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.22 3kbi n ASP 145 Cb 0.51 1.11 -0.16 0.00 -0.64 0.00 0.00 41.12 41.94 3kbi n ASP 145 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kbi s ILE 146 N -2.47 -0.08 0.07 0.53 1.01 -1.00 -1.59 121.20 117.68 3kbi s ILE 146 Ca -0.04 0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.92 3kbi s ILE 146 Cb 0.05 -0.13 -0.03 0.00 0.01 0.00 0.00 42.46 42.36 3kbi s ILE 146 CO 0.40 0.11 -0.14 0.27 0.00 0.00 0.00 174.94 175.58 3kbi s ILE 147 N 1.34 1.09 -0.47 2.92 -4.36 -0.79 -0.25 121.20 120.68 3kbi s ILE 147 Ca -0.06 -1.30 0.08 0.00 -0.26 0.00 0.00 60.65 59.12 3kbi s ILE 147 Cb -0.13 -1.05 0.31 0.00 1.25 0.00 0.00 42.46 42.84 3kbi s ILE 147 CO -0.04 -0.23 0.73 0.35 0.24 0.00 0.00 174.94 176.00 3kbi n THR 148 N 1.29 0.94 -2.55 8.37 -2.24 -1.00 -2.17 114.28 116.92 3kbi n THR 148 Ca -0.21 -4.80 -0.32 0.00 -2.27 0.00 0.00 64.05 56.44 3kbi n THR 148 Cb 0.54 -1.28 -0.04 0.00 -2.10 0.00 0.00 70.33 67.45 3kbi n THR 148 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kbi s PRO 149 N -2.39 3.99 0.32 -0.78 0.04 -1.18 -4.61 135.00 130.39 3kbi s PRO 149 Ca 0.41 0.93 -0.05 0.00 0.04 0.00 0.00 61.00 62.33 3kbi s PRO 149 Cb 0.25 -2.18 0.07 0.00 0.04 0.00 0.00 34.50 32.69 3kbi s PRO 149 CO -0.09 -0.19 0.43 0.27 0.04 0.00 0.00 177.00 177.46 3kbi n ASN 150 N -1.33 0.07 0.07 6.66 0.23 -1.26 -2.47 115.26 117.23 3kbi n ASN 150 Ca 0.06 -1.18 -0.13 0.00 -0.53 0.00 0.00 54.58 52.81 3kbi n ASN 150 Cb 0.54 -0.33 -0.07 0.00 -2.08 0.00 0.00 39.78 37.84 3kbi n ASN 150 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 3kbi h GLN 151 N 0.00 -0.09 -0.25 -3.83 4.15 -0.94 -2.12 115.11 112.03 3kbi h GLN 151 Ca -0.14 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.35 3kbi h GLN 151 Cb 0.39 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.03 3kbi h GLN 151 CO 0.10 -0.02 -0.27 0.35 -1.93 0.00 0.00 178.83 177.07 3kbi h PHE 152 N -0.15 -0.72 -0.66 3.99 3.57 -1.90 -1.45 116.94 119.62 3kbi h PHE 152 Ca -0.01 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3kbi h PHE 152 Cb 0.12 0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 3kbi h PHE 152 CO -0.06 -0.34 0.44 0.93 -2.23 0.00 0.00 178.31 177.05 3kbi h GLU 153 N -0.27 0.88 -0.65 1.11 5.08 -1.79 -1.41 114.58 117.52 3kbi h GLU 153 Ca 0.14 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3kbi h GLU 153 Cb 0.49 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3kbi h GLU 153 CO -0.41 0.58 0.10 0.00 -1.00 0.00 0.00 179.01 178.28 3kbi h ALA 154 N 1.58 0.94 -0.31 3.43 0.00 -0.66 -0.78 119.26 123.45 3kbi h ALA 154 Ca 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kbi h ALA 154 Cb -0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3kbi h ALA 154 CO -0.05 0.66 0.12 0.93 0.00 0.00 0.00 179.25 180.91 3kbi h GLU 155 N 1.01 0.47 -0.76 0.00 5.08 -0.41 -1.61 114.58 118.36 3kbi h GLU 155 Ca 0.20 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3kbi h GLU 155 Cb 0.44 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3kbi h GLU 155 CO 0.01 0.48 0.24 -0.07 -1.00 0.00 0.00 179.01 178.67 3kbi h LEU 156 N 0.36 1.10 -0.56 1.33 3.38 -1.09 0.78 115.31 120.61 3kbi h LEU 156 Ca 0.10 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 3kbi h LEU 156 Cb 0.19 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3kbi h LEU 156 CO -0.01 1.01 -0.44 -0.07 0.09 0.00 0.00 178.44 179.02 3kbi h LEU 157 N 1.12 0.71 0.00 1.67 3.38 -1.00 -3.21 115.31 117.99 3kbi h LEU 157 Ca 0.24 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 3kbi h LEU 157 Cb 0.30 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3kbi h LEU 157 CO -0.01 1.05 -1.29 -1.54 0.09 0.00 0.00 178.44 176.74 3kbi n SER 158 N -4.02 0.81 -0.12 -0.43 3.41 -0.62 -4.94 113.62 107.72 3kbi n SER 158 Ca -0.02 0.34 -0.02 0.00 -0.26 0.00 0.00 58.87 58.91 3kbi n SER 158 Cb 0.55 0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 64.85 3kbi n SER 158 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kbi n GLY 159 N 1.31 0.52 3.24 5.00 0.00 0.27 -5.02 105.19 110.51 3kbi n GLY 159 Ca -0.06 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 3kbi n GLY 159 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kbi s ARG 160 N -1.33 1.55 0.45 1.61 3.52 -1.04 -5.01 118.95 118.70 3kbi s ARG 160 Ca 0.00 -0.86 -0.11 0.00 -0.13 0.00 0.00 55.73 54.63 3kbi s ARG 160 Cb 0.00 -1.59 -0.06 0.00 -1.56 0.00 0.00 34.95 31.74 3kbi s ARG 160 CO 0.00 0.42 0.83 0.15 -0.81 0.00 0.00 175.30 175.89 3kbi s LYS 161 N -0.85 3.78 -0.11 5.12 1.02 -1.26 -4.34 119.74 123.09 3kbi s LYS 161 Ca 0.08 0.56 0.03 0.00 0.02 0.00 0.00 55.97 56.66 3kbi s LYS 161 Cb -0.08 -2.32 0.01 0.00 -0.52 0.00 0.00 37.83 34.92 3kbi s LYS 161 CO 0.01 -0.14 -0.20 0.42 -0.92 0.00 0.00 175.35 174.52 3kbi s ILE 162 N -2.51 1.84 0.00 2.17 1.01 -1.26 -4.92 121.20 117.53 3kbi s ILE 162 Ca 0.53 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 60.31 3kbi s ILE 162 Cb -0.10 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.74 3kbi s ILE 162 CO 0.34 0.51 0.00 1.41 0.00 0.00 0.00 174.94 177.20 3kbi n HIS 163 N 3.85 0.00 -4.02 3.97 8.25 -1.26 -5.03 115.22 120.98 3kbi n HIS 163 Ca -0.20 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.14 3kbi n HIS 163 Cb 0.52 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.60 3kbi n HIS 163 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3kbi s SER 164 N -1.02 0.45 0.09 0.41 1.04 -1.26 -4.98 113.70 108.42 3kbi s SER 164 Ca 0.00 -1.26 -0.22 0.00 0.48 0.00 0.00 55.95 54.95 3kbi s SER 164 Cb 0.00 0.66 -0.13 0.00 0.10 0.00 0.00 66.02 66.65 3kbi s SER 164 CO 0.00 -1.30 1.69 -0.61 0.98 0.00 0.00 173.24 174.00 3kbi h GLN 165 N 2.15 0.08 0.00 4.02 4.15 -1.98 -1.33 115.11 122.19 3kbi h GLN 165 Ca -0.28 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.08 3kbi h GLN 165 Cb 1.24 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.91 3kbi h GLN 165 CO 0.38 0.12 -0.22 1.05 -1.93 0.00 0.00 178.83 178.23 3kbi h GLU 166 N 0.03 0.00 -0.00 1.69 9.09 -1.99 -0.57 114.58 122.83 3kbi h GLU 166 Ca 0.02 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.27 3kbi h GLU 166 Cb 0.06 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.14 3kbi h GLU 166 CO -0.00 0.22 -0.77 0.93 0.05 0.00 0.00 179.01 179.43 3kbi h GLU 167 N 0.00 0.07 -0.40 1.06 5.08 -1.90 -2.04 114.58 116.44 3kbi h GLU 167 Ca -0.00 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3kbi h GLU 167 Cb 0.57 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3kbi h GLU 167 CO 0.03 0.80 -0.01 0.00 -1.00 0.00 0.00 179.01 178.83 3kbi h ALA 168 N 1.18 0.54 -0.31 3.43 0.00 -0.05 -1.89 119.26 122.16 3kbi h ALA 168 Ca -0.02 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 3kbi h ALA 168 Cb 1.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3kbi h ALA 168 CO 0.11 0.33 -0.17 -0.07 0.00 0.00 0.00 179.25 179.45 3kbi h LEU 169 N 0.54 0.55 -0.65 0.00 3.38 -1.07 -1.03 115.31 117.05 3kbi h LEU 169 Ca 0.11 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 3kbi h LEU 169 Cb 0.49 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3kbi h LEU 169 CO 0.02 0.74 -0.28 0.03 0.09 0.00 0.00 178.44 179.04 3kbi h ARG 170 N 0.51 0.75 -0.52 1.13 3.08 -1.20 -0.49 114.38 117.65 3kbi h ARG 170 Ca 0.09 -0.33 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 3kbi h ARG 170 Cb 0.58 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3kbi h ARG 170 CO 0.04 0.95 -0.02 0.28 -1.07 0.00 0.00 179.97 180.15 3kbi h VAL 171 N 0.65 1.25 -0.40 2.04 2.07 -0.98 -1.38 116.25 119.50 3kbi h VAL 171 Ca 0.08 -1.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.43 3kbi h VAL 171 Cb 0.80 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3kbi h VAL 171 CO 0.07 0.39 -0.08 0.24 0.02 0.00 0.00 177.57 178.20 3kbi h MET 172 N 0.83 0.68 -0.41 1.57 2.86 -0.80 -0.17 114.93 119.49 3kbi h MET 172 Ca 0.15 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 3kbi h MET 172 Cb 0.51 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 3kbi h MET 172 CO 0.03 0.75 -0.02 -0.44 1.06 0.00 0.00 176.91 178.30 3kbi h ASP 173 N 0.63 0.64 -0.13 1.22 3.32 -0.59 -0.53 116.42 120.98 3kbi h ASP 173 Ca 0.12 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3kbi h ASP 173 Cb 0.51 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3kbi h ASP 173 CO 0.03 0.72 0.02 0.24 -1.72 0.00 0.00 179.24 178.54 3kbi h MET 174 N 0.63 0.22 -0.82 3.56 2.86 -0.46 -2.13 114.93 118.80 3kbi h MET 174 Ca 0.13 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3kbi h MET 174 Cb 0.42 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 3kbi h MET 174 CO 0.02 0.40 0.53 -0.07 1.06 0.00 0.00 176.91 178.85 3kbi h LEU 175 N 0.00 0.94 -0.64 1.22 3.38 -0.71 -1.54 115.31 117.95 3kbi h LEU 175 Ca 0.04 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3kbi h LEU 175 Cb 0.29 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3kbi h LEU 175 CO 0.00 0.69 0.42 0.45 0.09 0.00 0.00 178.44 180.09 3kbi h HIS 176 N 1.11 0.80 0.00 1.13 3.86 -0.90 -1.60 115.15 119.55 3kbi h HIS 176 Ca 0.30 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.48 3kbi h HIS 176 Cb -0.12 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.08 3kbi h HIS 176 CO 0.00 0.49 -0.25 0.66 0.86 0.00 0.00 177.93 179.69 3kbi h SER 177 N 0.85 0.00 0.78 2.45 4.64 -0.63 0.09 113.55 121.74 3kbi h SER 177 Ca 0.24 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 3kbi h SER 177 Cb -0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3kbi h SER 177 CO -0.06 0.25 -0.10 0.24 -0.87 0.00 0.00 176.83 176.28 3kbi h MET 178 N 0.00 0.00 0.00 4.77 2.07 -0.49 -3.48 114.93 117.80 3kbi h MET 178 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3kbi h MET 178 Cb 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.18 3kbi h MET 178 CO 0.03 0.10 0.00 0.41 1.07 0.00 0.00 176.91 178.52 3kbi n GLY 179 N -0.15 0.51 3.71 8.32 0.00 0.02 -3.97 105.19 113.63 3kbi n GLY 179 Ca -0.00 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3kbi n GLY 179 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kbi n PRO 180 N 0.00 2.35 0.19 1.61 -0.04 -1.06 -4.89 135.00 133.16 3kbi n PRO 180 Ca 0.00 0.84 0.12 0.00 -0.04 0.00 0.00 63.50 64.42 3kbi n PRO 180 Cb 0.00 -2.55 0.18 0.00 -0.04 0.00 0.00 33.50 31.08 3kbi n PRO 180 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3kbi h ASP 181 N 4.47 0.00 -3.31 3.54 3.32 -1.67 -3.37 116.42 119.40 3kbi h ASP 181 Ca -0.46 -0.01 -0.59 0.00 0.02 0.00 0.00 57.03 55.99 3kbi h ASP 181 Cb 1.25 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.46 3kbi h ASP 181 CO 0.77 0.00 -0.84 -0.89 -1.72 0.00 0.00 179.24 176.57 3kbi s THR 182 N -3.22 1.55 -0.04 0.35 2.01 -0.62 0.15 115.64 115.83 3kbi s THR 182 Ca 0.06 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.38 3kbi s THR 182 Cb 0.07 -1.40 0.02 0.00 0.01 0.00 0.00 72.50 71.20 3kbi s THR 182 CO 0.68 0.45 -0.06 -0.69 -0.69 0.00 0.00 174.62 174.31 3kbi s VAL 183 N 0.80 0.59 -0.08 3.82 1.01 0.09 -1.88 120.40 124.75 3kbi s VAL 183 Ca -0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 3kbi s VAL 183 Cb -0.16 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.66 3kbi s VAL 183 CO 0.01 0.23 -0.04 -0.69 0.00 0.00 0.00 175.10 174.61 3kbi s VAL 184 N 0.74 0.66 -0.69 2.92 1.01 -0.92 0.16 120.40 124.28 3kbi s VAL 184 Ca -0.10 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 3kbi s VAL 184 Cb -0.13 -0.72 0.12 0.00 0.00 0.00 0.00 36.38 35.64 3kbi s VAL 184 CO 0.01 0.29 0.83 -0.63 0.00 0.00 0.00 175.10 175.59 3kbi s ILE 185 N 1.54 4.81 0.44 2.22 1.01 0.22 -3.09 121.20 128.35 3kbi s ILE 185 Ca -0.00 -1.16 0.29 0.00 0.00 0.00 0.00 60.65 59.78 3kbi s ILE 185 Cb -0.13 -4.57 0.32 0.00 0.01 0.00 0.00 42.46 38.08 3kbi s ILE 185 CO -0.04 -1.24 2.11 0.71 0.00 0.00 0.00 174.94 176.49 3kbi h THR 186 N 5.80 0.50 -2.44 2.92 1.35 -1.74 -2.52 112.91 116.78 3kbi h THR 186 Ca -0.17 -0.42 -0.09 0.00 -0.55 0.00 0.00 66.41 65.19 3kbi h THR 186 Cb 1.07 1.28 -0.22 0.00 -1.73 0.00 0.00 68.15 68.55 3kbi h THR 186 CO 1.08 0.09 -0.06 -0.55 -0.25 0.00 0.00 175.52 175.83 3kbi s SER 187 N -6.08 -0.53 0.18 5.36 0.15 -1.26 -4.83 113.70 106.69 3kbi s SER 187 Ca -0.03 0.88 -0.15 0.00 0.70 0.00 0.00 55.95 57.34 3kbi s SER 187 Cb 0.13 0.89 0.02 0.00 -1.71 0.00 0.00 66.02 65.35 3kbi s SER 187 CO 0.57 -0.30 0.45 -0.94 1.20 0.00 0.00 173.24 174.22 3kbi s SER 188 N -0.22 -0.18 0.00 5.45 1.04 -1.23 -0.19 113.70 118.37 3kbi s SER 188 Ca -0.04 -0.58 0.16 0.00 0.48 0.00 0.00 55.95 55.97 3kbi s SER 188 Cb -0.03 0.54 0.47 0.00 0.10 0.00 0.00 66.02 67.10 3kbi s SER 188 CO 0.03 -1.00 1.39 0.47 0.98 0.00 0.00 173.24 175.10 3kbi n ASP 189 N -0.30 2.46 -4.77 7.02 8.00 -1.26 -4.35 116.55 123.35 3kbi n ASP 189 Ca -0.10 -1.95 -0.38 0.00 0.71 0.00 0.00 54.79 53.07 3kbi n ASP 189 Cb 0.63 -0.28 -0.00 0.00 -0.02 0.00 0.00 41.12 41.45 3kbi n ASP 189 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kbi s LEU 190 N -1.13 4.12 0.39 0.64 1.43 -1.26 -5.00 118.68 117.86 3kbi s LEU 190 Ca 0.32 2.51 -0.19 0.00 -1.03 0.00 0.00 54.13 55.74 3kbi s LEU 190 Cb 0.17 -4.05 -0.10 0.00 0.03 0.00 0.00 46.19 42.24 3kbi s LEU 190 CO 0.23 -0.90 0.88 -2.16 0.23 0.00 0.00 176.35 174.63 3kbi s PRO 191 N -2.43 4.18 0.02 1.29 0.04 -1.26 -3.92 135.00 132.91 3kbi s PRO 191 Ca 0.60 0.99 0.07 0.00 0.04 0.00 0.00 61.00 62.70 3kbi s PRO 191 Cb -0.34 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 3kbi s PRO 191 CO 0.43 0.05 -0.20 0.45 0.04 0.00 0.00 177.00 177.77 3kbi s SER 192 N -2.17 2.39 0.18 6.66 0.15 -1.26 -4.88 113.70 114.78 3kbi s SER 192 Ca 0.59 -0.46 0.19 0.00 0.70 0.00 0.00 55.95 56.97 3kbi s SER 192 Cb -0.10 -0.22 0.85 0.00 -1.71 0.00 0.00 66.02 64.83 3kbi s SER 192 CO 0.15 0.19 1.59 -0.81 1.20 0.00 0.00 173.24 175.56 3kbi n PRO 193 N 2.14 0.12 0.29 5.44 -0.04 -1.26 -2.04 135.00 139.66 3kbi n PRO 193 Ca -0.16 0.41 0.18 0.00 -0.04 0.00 0.00 63.50 63.89 3kbi n PRO 193 Cb 0.53 -1.76 0.86 0.00 -0.04 0.00 0.00 33.50 33.09 3kbi n PRO 193 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3kbi h GLN 194 N 0.00 0.00 0.00 0.54 1.08 -1.97 -3.48 115.11 111.28 3kbi h GLN 194 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3kbi h GLN 194 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 3kbi h GLN 194 CO 0.00 0.03 0.00 0.41 -0.95 0.00 0.00 178.83 178.32 3kbi n GLY 195 N -0.44 2.78 0.26 3.46 0.00 -0.87 -4.86 105.19 105.52 3kbi n GLY 195 Ca -0.01 -1.88 0.17 0.00 0.00 0.00 0.00 46.02 44.31 3kbi n GLY 195 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kbi h SER 196 N 0.00 0.00 -0.47 1.61 4.64 -1.93 -2.85 113.55 114.56 3kbi h SER 196 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3kbi h SER 196 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 3kbi h SER 196 CO 0.00 0.00 0.13 -0.46 -0.87 0.00 0.00 176.83 175.63 3kbi n ASN 197 N -2.82 3.96 -4.28 4.97 6.94 -1.26 -4.88 115.26 117.89 3kbi n ASN 197 Ca -0.01 -2.75 -0.20 0.00 -0.02 0.00 0.00 54.58 51.60 3kbi n ASN 197 Cb 0.17 -0.66 -0.11 0.00 -2.36 0.00 0.00 39.78 36.82 3kbi n ASN 197 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 3kbi s TYR 198 N -2.18 1.59 0.21 -2.53 1.51 -1.07 -0.49 117.35 114.39 3kbi s TYR 198 Ca 0.37 -0.51 0.07 0.00 -1.01 0.00 0.00 57.07 55.99 3kbi s TYR 198 Cb 0.29 -0.82 -0.05 0.00 -0.11 0.00 0.00 41.96 41.27 3kbi s TYR 198 CO 0.10 0.22 -0.12 -0.48 -1.11 0.00 0.00 175.55 174.16 3kbi s LEU 199 N -2.47 2.52 -0.09 -1.29 0.05 0.19 -4.55 118.68 113.05 3kbi s LEU 199 Ca 0.11 -1.06 -0.03 0.00 0.05 0.00 0.00 54.13 53.20 3kbi s LEU 199 Cb -0.06 -0.61 -0.03 0.00 -2.05 0.00 0.00 46.19 43.44 3kbi s LEU 199 CO 0.04 -0.24 0.03 -0.63 -0.55 0.00 0.00 176.35 175.01 3kbi s ILE 200 N -3.04 4.57 -0.07 1.48 1.01 -1.25 -0.40 121.20 123.50 3kbi s ILE 200 Ca 0.24 -0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.76 3kbi s ILE 200 Cb 0.01 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.52 3kbi s ILE 200 CO 0.07 0.59 -0.24 -0.69 0.00 0.00 0.00 174.94 174.67 3kbi s VAL 201 N -0.94 2.03 -0.02 2.92 1.01 0.28 -3.54 120.40 122.14 3kbi s VAL 201 Ca 0.14 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 61.15 3kbi s VAL 201 Cb -0.11 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 3kbi s VAL 201 CO 0.04 0.56 -0.20 -0.76 0.00 0.00 0.00 175.10 174.73 3kbi s LEU 202 N 0.01 2.02 0.02 3.92 1.43 -0.95 -1.30 118.68 123.84 3kbi s LEU 202 Ca -0.09 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 3kbi s LEU 202 Cb -0.15 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 3kbi s LEU 202 CO 0.05 0.24 -0.09 -0.83 0.23 0.00 0.00 176.35 175.95 3kbi s GLY 203 N -0.39 0.51 -0.04 -3.19 0.00 -0.91 0.69 107.32 103.99 3kbi s GLY 203 Ca 0.06 -0.58 -0.01 0.00 0.00 0.00 0.00 44.72 44.18 3kbi s GLY 203 CO -0.00 -0.56 0.09 -0.45 0.00 0.00 0.00 173.10 172.18 3kbi s SER 204 N -0.83 -0.03 -0.05 1.64 0.15 0.12 -1.07 113.70 113.64 3kbi s SER 204 Ca -0.01 0.17 0.02 0.00 0.70 0.00 0.00 55.95 56.83 3kbi s SER 204 Cb -0.06 0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.33 3kbi s SER 204 CO 0.00 -0.14 -0.08 -1.58 1.20 0.00 0.00 173.24 172.65 3kbi s GLN 205 N 1.10 1.14 -0.12 5.44 0.74 0.39 -0.73 119.66 127.62 3kbi s GLN 205 Ca -0.09 -0.25 -0.04 0.00 0.05 0.00 0.00 55.36 55.04 3kbi s GLN 205 Cb -0.12 -1.03 -0.03 0.00 1.10 0.00 0.00 33.01 32.93 3kbi s GLN 205 CO -0.04 -0.01 0.02 0.50 -0.55 0.00 0.00 175.29 175.21 3kbi s ARG 206 N 0.68 3.31 -0.14 1.67 3.52 0.12 -0.75 118.95 127.35 3kbi s ARG 206 Ca -0.11 -0.39 0.06 0.00 -0.13 0.00 0.00 55.73 55.15 3kbi s ARG 206 Cb -0.14 -2.92 0.17 0.00 -1.56 0.00 0.00 34.95 30.51 3kbi s ARG 206 CO 0.02 0.56 1.08 2.89 -0.81 0.00 0.00 175.30 179.03 3kbi n ARG 207 N 2.61 0.58 -4.35 5.12 1.85 -1.26 -4.80 116.66 116.41 3kbi n ARG 207 Ca -0.18 -0.88 -0.34 0.00 -1.00 0.00 0.00 57.85 55.45 3kbi n ARG 207 Cb 0.53 0.41 -0.11 0.00 -1.05 0.00 0.00 32.46 32.25 3kbi n ARG 207 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3kbi s VAL 214 N 0.06 4.09 0.09 8.89 1.01 -1.26 -5.05 120.40 128.22 3kbi s VAL 214 Ca 0.04 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.79 3kbi s VAL 214 Cb 0.19 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3kbi s VAL 214 CO -0.06 0.52 -0.10 -0.69 0.00 0.00 0.00 175.10 174.77 3kbi s VAL 215 N 0.07 3.38 -0.04 2.92 1.01 -1.26 -5.13 120.40 121.34 3kbi s VAL 215 Ca 0.01 -1.19 0.06 0.00 0.00 0.00 0.00 61.98 60.86 3kbi s VAL 215 Cb -0.13 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 3kbi s VAL 215 CO 0.02 0.17 -0.22 -0.04 0.00 0.00 0.00 175.10 175.03 3kbi s MET 216 N -2.04 2.12 -0.14 2.72 1.00 -1.26 -4.36 119.30 117.34 3kbi s MET 216 Ca 0.20 -0.78 0.02 0.00 0.00 0.00 0.00 55.69 55.13 3kbi s MET 216 Cb -0.11 -1.86 0.01 0.00 0.00 0.00 0.00 34.83 32.87 3kbi s MET 216 CO 0.12 0.36 -0.20 -2.00 0.00 0.00 0.00 175.02 173.31 3kbi s GLU 217 N -0.19 2.79 -0.03 2.03 2.12 0.07 -4.97 118.70 120.52 3kbi s GLU 217 Ca -0.00 -0.77 0.06 0.00 0.36 0.00 0.00 54.97 54.62 3kbi s GLU 217 Cb -0.12 -2.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.96 3kbi s GLU 217 CO 0.02 -0.06 -0.21 1.03 -0.54 0.00 0.00 175.26 175.50 3kbi s ARG 218 N 0.94 1.90 0.18 4.30 0.52 -1.26 -0.46 118.95 125.06 3kbi s ARG 218 Ca -0.05 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.41 3kbi s ARG 218 Cb -0.15 -1.75 -0.05 0.00 0.52 0.00 0.00 34.95 33.53 3kbi s ARG 218 CO -0.03 0.41 0.02 0.96 0.02 0.00 0.00 175.30 176.67 3kbi s ILE 219 N -0.34 0.59 -0.05 1.52 -5.25 -0.23 -0.62 121.20 116.81 3kbi s ILE 219 Ca 0.04 -1.97 -0.06 0.00 -0.99 0.00 0.00 60.65 57.67 3kbi s ILE 219 Cb -0.10 -2.16 0.01 0.00 2.95 0.00 0.00 42.46 43.16 3kbi s ILE 219 CO 0.01 -0.43 0.15 -0.60 -1.79 0.00 0.00 174.94 172.28 3kbi s ARG 220 N -3.95 0.22 -0.01 0.37 3.52 0.07 -2.14 118.95 117.03 3kbi s ARG 220 Ca 0.25 0.14 0.01 0.00 -0.13 0.00 0.00 55.73 56.00 3kbi s ARG 220 Cb 0.06 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 3kbi s ARG 220 CO 0.05 -0.03 -0.03 -1.64 -0.81 0.00 0.00 175.30 172.84 3kbi s MET 221 N -0.09 0.27 -0.33 5.12 -1.94 -0.42 -0.72 119.30 121.19 3kbi s MET 221 Ca -0.02 -0.08 -0.09 0.00 -1.71 0.00 0.00 55.69 53.80 3kbi s MET 221 Cb -0.02 -0.30 0.02 0.00 2.01 0.00 0.00 34.83 36.54 3kbi s MET 221 CO 0.00 0.03 0.14 -0.51 -0.01 0.00 0.00 175.02 174.67 3kbi s ASP 222 N 0.13 5.44 -0.06 3.03 1.01 -1.26 -0.56 116.67 124.40 3kbi s ASP 222 Ca -0.01 -0.87 0.03 0.00 0.71 0.00 0.00 52.55 52.41 3kbi s ASP 222 Cb -0.04 -1.95 -0.03 0.00 1.01 0.00 0.00 42.92 41.92 3kbi s ASP 222 CO -0.00 -0.28 -0.12 -0.63 0.21 0.00 0.00 175.17 174.34 3kbi s ILE 223 N 1.52 3.22 0.34 0.77 1.01 0.47 -4.90 121.20 123.63 3kbi s ILE 223 Ca 0.02 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 59.74 3kbi s ILE 223 Cb -0.18 -2.28 -0.09 0.00 0.01 0.00 0.00 42.46 39.91 3kbi s ILE 223 CO 0.05 0.59 1.17 -0.60 0.00 0.00 0.00 174.94 176.15 3kbi s ARG 224 N -0.68 4.33 0.46 2.79 3.52 -1.26 0.57 118.95 128.68 3kbi s ARG 224 Ca 0.10 1.90 0.05 0.00 -0.13 0.00 0.00 55.73 57.66 3kbi s ARG 224 Cb -0.11 -2.94 0.02 0.00 -1.56 0.00 0.00 34.95 30.36 3kbi s ARG 224 CO 0.01 -0.10 0.64 0.15 -0.81 0.00 0.00 175.30 175.18 3kbi s LYS 225 N -1.90 2.76 -0.01 5.12 1.02 0.35 -4.85 119.74 122.24 3kbi s LYS 225 Ca 0.51 -1.05 0.01 0.00 0.02 0.00 0.00 55.97 55.46 3kbi s LYS 225 Cb -0.33 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 3kbi s LYS 225 CO 0.42 -0.40 -0.03 0.14 -0.92 0.00 0.00 175.35 174.56 3kbi s VAL 226 N -2.48 0.28 -1.43 3.17 -7.23 -1.26 -4.98 120.40 106.47 3kbi s VAL 226 Ca 0.55 -0.14 -0.11 0.00 -1.81 0.00 0.00 61.98 60.48 3kbi s VAL 226 Cb -0.10 -0.26 0.05 0.00 0.56 0.00 0.00 36.38 36.64 3kbi s VAL 226 CO 0.35 0.09 2.33 -0.90 -0.31 0.00 0.00 175.10 176.66 3kbi n ASP 227 N 3.11 5.94 -3.60 4.85 5.75 -1.26 -4.78 116.55 126.55 3kbi n ASP 227 Ca -0.14 -2.89 -0.13 0.00 -0.01 0.00 0.00 54.79 51.62 3kbi n ASP 227 Cb 0.58 -1.55 -0.07 0.00 -1.03 0.00 0.00 41.12 39.06 3kbi n ASP 227 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kbi s ALA 228 N 1.59 -1.87 -0.33 2.12 0.00 -1.26 -5.09 121.76 116.93 3kbi s ALA 228 Ca 0.51 1.78 -0.10 0.00 0.00 0.00 0.00 51.96 54.15 3kbi s ALA 228 Cb 0.14 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.29 3kbi s ALA 228 CO -0.06 -0.31 0.17 0.54 0.00 0.00 0.00 175.76 176.11 3kbi s VAL 229 N -0.20 4.63 0.11 0.00 0.11 -1.26 -5.08 120.40 118.70 3kbi s VAL 229 Ca -0.01 -0.55 0.02 0.00 -2.93 0.00 0.00 61.98 58.51 3kbi s VAL 229 Cb -0.03 -3.43 -0.04 0.00 -1.53 0.00 0.00 36.38 31.35 3kbi s VAL 229 CO 0.00 -0.03 0.20 -0.36 -3.33 0.00 0.00 175.10 171.58 3kbi s PHE 230 N 1.60 3.40 -0.05 1.54 0.08 -1.26 -5.02 117.98 118.27 3kbi s PHE 230 Ca 0.04 0.14 0.04 0.00 0.12 0.00 0.00 56.93 57.27 3kbi s PHE 230 Cb -0.18 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 3kbi s PHE 230 CO 0.07 0.54 -0.17 0.08 -0.10 0.00 0.00 175.22 175.64 3kbi s VAL 231 N -1.60 2.80 0.00 -0.44 1.01 -1.26 -4.62 120.40 116.29 3kbi s VAL 231 Ca 0.33 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3kbi s VAL 231 Cb -0.12 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.18 3kbi s VAL 231 CO 0.26 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.55 3kbi n GLY 232 N 2.53 0.33 0.31 4.51 0.00 -1.26 -4.67 105.19 106.95 3kbi n GLY 232 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 3kbi n GLY 232 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kbi h THR 233 N 0.00 1.18 -0.69 2.61 1.35 -1.88 -0.48 112.91 115.00 3kbi h THR 233 Ca 0.00 -0.37 -0.07 0.00 -0.55 0.00 0.00 66.41 65.43 3kbi h THR 233 Cb 0.00 0.02 -0.03 0.00 -1.73 0.00 0.00 68.15 66.41 3kbi h THR 233 CO 0.00 0.20 0.17 1.23 -0.25 0.00 0.00 175.52 176.87 3kbi h GLY 234 N 1.07 1.19 1.00 5.82 0.00 -1.94 0.12 103.07 110.33 3kbi h GLY 234 Ca 0.31 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3kbi h GLY 234 CO -0.08 0.69 0.29 -0.55 0.00 0.00 0.00 176.54 176.90 3kbi h ASP 235 N 1.04 0.54 -0.57 0.19 3.45 -1.80 -1.43 116.42 117.83 3kbi h ASP 235 Ca 0.22 -0.03 -0.09 0.00 0.43 0.00 0.00 57.03 57.56 3kbi h ASP 235 Cb 0.36 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.98 3kbi h ASP 235 CO 0.00 0.41 0.01 0.25 -1.57 0.00 0.00 179.24 178.34 3kbi h LEU 236 N 0.62 1.00 -0.04 1.55 5.85 -0.80 -2.56 115.31 120.94 3kbi h LEU 236 Ca 0.17 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.62 3kbi h LEU 236 Cb -0.05 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.70 3kbi h LEU 236 CO -0.03 1.05 -0.02 0.15 -0.34 0.00 0.00 178.44 179.24 3kbi h PHE 237 N 0.94 -0.05 -0.79 1.25 3.57 -0.30 -0.85 116.94 120.72 3kbi h PHE 237 Ca 0.17 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.69 3kbi h PHE 237 Cb 0.53 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 3kbi h PHE 237 CO 0.04 -0.03 0.52 0.00 -2.23 0.00 0.00 178.31 176.60 3kbi h ALA 238 N 1.02 1.01 -0.25 2.41 0.00 -1.20 0.11 119.26 122.35 3kbi h ALA 238 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kbi h ALA 238 Cb 0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3kbi h ALA 238 CO -0.05 0.39 0.13 0.00 0.00 0.00 0.00 179.25 179.72 3kbi h ALA 239 N 1.30 0.32 -0.28 0.00 0.00 -1.16 -0.69 119.26 118.75 3kbi h ALA 239 Ca 0.29 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3kbi h ALA 239 Cb -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kbi h ALA 239 CO -0.07 -0.14 -0.35 0.52 0.00 0.00 0.00 179.25 179.21 3kbi h MET 240 N 0.27 0.61 -0.70 0.00 2.07 -0.90 -0.45 114.93 115.84 3kbi h MET 240 Ca 0.09 -0.29 -0.03 0.00 -2.07 0.00 0.00 59.70 57.40 3kbi h MET 240 Cb 0.09 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 29.78 3kbi h MET 240 CO -0.01 0.87 0.32 1.25 1.07 0.00 0.00 176.91 180.41 3kbi h LEU 241 N 0.52 0.93 0.35 1.22 5.85 -0.60 0.16 115.31 123.73 3kbi h LEU 241 Ca 0.05 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 3kbi h LEU 241 Cb 0.84 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3kbi h LEU 241 CO 0.07 0.81 -0.18 0.25 -0.34 0.00 0.00 178.44 179.05 3kbi h LEU 242 N 0.98 -0.43 0.04 2.25 6.46 -0.78 0.51 115.31 124.34 3kbi h LEU 242 Ca 0.24 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 58.04 3kbi h LEU 242 Cb 0.14 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.15 3kbi h LEU 242 CO -0.03 -0.30 -0.27 0.00 -0.62 0.00 0.00 178.44 177.23 3kbi h ALA 243 N 0.17 -0.39 -0.04 1.25 0.00 -0.58 -1.60 119.26 118.07 3kbi h ALA 243 Ca -0.04 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3kbi h ALA 243 Cb 0.38 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3kbi h ALA 243 CO 0.07 -0.78 -0.64 -1.49 0.00 0.00 0.00 179.25 176.41 3kbi h TRP 244 N -0.43 0.18 0.00 0.00 4.06 -0.66 -2.38 115.95 116.73 3kbi h TRP 244 Ca 0.05 -0.08 -0.07 0.00 2.06 0.00 0.00 58.89 60.86 3kbi h TRP 244 Cb 0.50 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.62 3kbi h TRP 244 CO -0.28 0.74 -0.32 1.79 -3.56 0.00 0.00 178.44 176.81 3kbi h THR 245 N 0.10 0.93 -0.46 1.49 1.35 -0.80 0.52 112.91 116.04 3kbi h THR 245 Ca -0.01 -1.22 -0.12 0.00 -0.55 0.00 0.00 66.41 64.52 3kbi h THR 245 Cb 1.15 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 69.27 3kbi h THR 245 CO 0.09 0.31 -0.17 -0.74 -0.25 0.00 0.00 175.52 174.76 3kbi h HIS 246 N 0.00 1.06 0.02 4.73 -0.00 -0.80 -1.44 115.15 118.72 3kbi h HIS 246 Ca -0.00 -0.25 -0.21 0.00 -0.00 0.00 0.00 60.37 59.91 3kbi h HIS 246 Cb 0.69 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 3kbi h HIS 246 CO 0.00 1.04 -0.93 0.87 -0.00 0.00 0.00 177.93 178.92 3kbi h LYS 247 N 0.78 0.18 -2.13 5.26 1.79 -1.02 -3.36 116.57 118.05 3kbi h LYS 247 Ca 0.11 -0.21 -0.59 0.00 -2.18 0.00 0.00 60.65 57.78 3kbi h LYS 247 Cb 0.74 0.07 -0.41 0.00 -1.58 0.00 0.00 32.23 31.04 3kbi h LYS 247 CO 0.06 0.98 -0.75 0.72 -1.08 0.00 0.00 179.45 179.38 3kbi n HIS 248 N -3.61 2.44 -0.06 -1.35 8.25 0.14 -4.98 115.22 116.05 3kbi n HIS 248 Ca -0.04 -3.97 0.23 0.00 -0.26 0.00 0.00 57.72 53.68 3kbi n HIS 248 Cb 0.84 -0.49 0.70 0.00 1.12 0.00 0.00 29.99 32.16 3kbi n HIS 248 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3kbi h PRO 249 N 4.07 0.00 -0.24 -0.41 0.13 -1.43 -2.82 132.00 131.30 3kbi h PRO 249 Ca 0.16 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.13 3kbi h PRO 249 Cb 0.72 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.74 3kbi h PRO 249 CO 0.72 0.00 -0.46 0.09 -0.23 0.00 0.00 178.00 178.13 3kbi n ASN 250 N -4.34 2.62 -3.22 1.44 3.02 -1.26 -4.84 115.26 108.69 3kbi n ASN 250 Ca 0.13 -3.85 -0.20 0.00 -0.03 0.00 0.00 54.58 50.63 3kbi n ASN 250 Cb 0.72 -0.52 -0.07 0.00 -0.61 0.00 0.00 39.78 39.30 3kbi n ASN 250 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3kbi s ASN 251 N -3.15 0.65 0.44 6.41 3.84 -1.07 -4.98 114.94 117.08 3kbi s ASN 251 Ca 0.42 -2.48 0.11 0.00 0.21 0.00 0.00 52.86 51.13 3kbi s ASN 251 Cb 0.39 0.33 0.99 0.00 -0.55 0.00 0.00 41.25 42.41 3kbi s ASN 251 CO -0.03 -0.15 2.04 0.25 -2.79 0.00 0.00 177.10 176.42 3kbi h LEU 252 N 5.70 0.20 0.43 3.21 5.85 -1.88 -2.50 115.31 126.31 3kbi h LEU 252 Ca 0.18 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3kbi h LEU 252 Cb 0.99 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3kbi h LEU 252 CO 0.25 0.22 -0.34 0.50 -0.34 0.00 0.00 178.44 178.73 3kbi h LYS 253 N 0.22 -0.74 -0.37 1.25 3.64 -1.95 -1.30 116.57 117.32 3kbi h LYS 253 Ca 0.06 0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.35 3kbi h LYS 253 Cb 0.12 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3kbi h LYS 253 CO -0.00 -0.49 -0.30 0.28 -2.27 0.00 0.00 179.45 176.67 3kbi h VAL 254 N -0.77 1.28 -0.83 2.00 2.07 -1.93 -1.91 116.25 116.16 3kbi h VAL 254 Ca -0.04 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.06 3kbi h VAL 254 Cb 0.66 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 3kbi h VAL 254 CO -0.01 0.48 0.54 0.00 0.02 0.00 0.00 177.57 178.60 3kbi h ALA 255 N 0.98 1.08 -0.02 1.67 0.00 -1.37 -1.20 119.26 120.41 3kbi h ALA 255 Ca 0.08 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 3kbi h ALA 255 Cb 0.83 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3kbi h ALA 255 CO 0.07 0.40 -0.76 0.00 0.00 0.00 0.00 179.25 178.96 3kbi h GLU 257 N 0.11 0.92 -0.37 0.00 5.08 -0.85 -0.46 114.58 119.01 3kbi h GLU 257 Ca -0.03 -0.39 -0.16 0.00 -1.00 0.00 0.00 59.36 57.78 3kbi h GLU 257 Cb 1.34 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3kbi h GLU 257 CO 0.11 1.05 -0.41 0.87 -1.00 0.00 0.00 179.01 179.63 3kbi h LYS 258 N 0.75 0.93 0.20 2.33 1.57 -1.26 0.84 116.57 121.93 3kbi h LYS 258 Ca 0.10 -0.50 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 3kbi h LYS 258 Cb 0.76 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3kbi h LYS 258 CO 0.06 1.16 -0.10 1.15 -0.57 0.00 0.00 179.45 181.15 3kbi h THR 259 N 0.75 0.85 -0.58 -0.16 2.02 -1.24 -0.21 112.91 114.35 3kbi h THR 259 Ca 0.05 -0.26 -0.10 0.00 0.77 0.00 0.00 66.41 66.88 3kbi h THR 259 Cb 1.01 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 3kbi h THR 259 CO 0.10 0.06 -0.03 0.58 0.37 0.00 0.00 175.52 176.60 3kbi h VAL 260 N -0.39 1.26 -0.66 3.16 2.07 -1.10 -2.37 116.25 118.22 3kbi h VAL 260 Ca -0.03 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 3kbi h VAL 260 Cb 0.30 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3kbi h VAL 260 CO 0.04 0.42 0.34 0.28 0.02 0.00 0.00 177.57 178.68 3kbi h SER 261 N 0.94 0.82 -0.38 0.57 0.02 -0.68 -0.55 113.55 114.29 3kbi h SER 261 Ca 0.16 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 3kbi h SER 261 Cb 0.58 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 3kbi h SER 261 CO 0.03 0.68 0.08 0.74 -1.14 0.00 0.00 176.83 177.22 3kbi h THR 262 N 0.92 1.23 -0.57 -2.27 2.02 -0.72 -1.99 112.91 111.53 3kbi h THR 262 Ca 0.23 -0.82 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 3kbi h THR 262 Cb 0.06 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 3kbi h THR 262 CO -0.03 0.28 0.28 -0.07 0.37 0.00 0.00 175.52 176.35 3kbi h LEU 263 N 0.47 0.74 -0.29 2.58 4.07 -1.00 -2.18 115.31 119.70 3kbi h LEU 263 Ca 0.12 -0.12 0.06 0.00 0.08 0.00 0.00 57.88 58.01 3kbi h LEU 263 Cb 0.34 -0.19 -0.06 0.00 1.08 0.00 0.00 40.66 41.83 3kbi h LEU 263 CO 0.00 0.66 -0.07 -0.74 -1.08 0.00 0.00 178.44 177.21 3kbi h HIS 264 N 0.78 -0.15 -0.77 1.13 2.76 -0.83 0.50 115.15 118.56 3kbi h HIS 264 Ca 0.20 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.37 3kbi h HIS 264 Cb 0.10 0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.14 3kbi h HIS 264 CO -0.00 -0.12 0.37 0.45 -1.30 0.00 0.00 177.93 177.32 3kbi h HIS 265 N 0.00 1.11 -0.12 5.26 3.86 -1.15 0.13 115.15 124.26 3kbi h HIS 265 Ca 0.14 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3kbi h HIS 265 Cb 0.21 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 28.33 3kbi h HIS 265 CO -0.28 0.81 0.02 0.28 0.86 0.00 0.00 177.93 179.62 3kbi h VAL 266 N 1.09 1.22 -0.40 2.45 2.07 -0.89 -2.05 116.25 119.74 3kbi h VAL 266 Ca 0.27 -0.69 -0.11 0.00 0.82 0.00 0.00 66.70 66.99 3kbi h VAL 266 Cb 0.12 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3kbi h VAL 266 CO -0.03 0.20 -0.19 -0.07 0.02 0.00 0.00 177.57 177.49 3kbi h LEU 267 N -0.04 0.77 0.18 2.57 3.38 -0.76 -0.24 115.31 121.17 3kbi h LEU 267 Ca 0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3kbi h LEU 267 Cb 0.29 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3kbi h LEU 267 CO 0.00 0.95 -0.10 -0.61 0.09 0.00 0.00 178.44 178.78 3kbi h GLN 268 N 0.68 -0.25 -0.76 1.13 5.75 -0.69 0.17 115.11 121.13 3kbi h GLN 268 Ca 0.10 0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.58 3kbi h GLN 268 Cb 0.69 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.26 3kbi h GLN 268 CO 0.05 -0.17 0.32 -0.09 -2.65 0.00 0.00 178.83 176.30 3kbi h ARG 269 N -0.26 1.11 -0.21 1.69 2.43 -1.25 -2.29 114.38 115.60 3kbi h ARG 269 Ca -0.02 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 3kbi h ARG 269 Cb 0.22 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3kbi h ARG 269 CO 0.02 0.89 0.09 1.15 -1.51 0.00 0.00 179.97 180.62 3kbi h THR 270 N 1.09 1.14 -0.08 0.20 2.02 -0.63 -2.25 112.91 114.41 3kbi h THR 270 Ca 0.26 -0.42 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 3kbi h THR 270 Cb 0.17 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3kbi h THR 270 CO -0.03 0.14 -0.39 -0.29 0.37 0.00 0.00 175.52 175.32 3kbi h ILE 271 N 0.20 1.30 -0.18 3.11 6.09 -0.53 -1.39 117.51 126.11 3kbi h ILE 271 Ca 0.07 -1.45 -0.04 0.00 -1.37 0.00 0.00 64.86 62.07 3kbi h ILE 271 Cb 0.14 1.68 -0.01 0.00 0.47 0.00 0.00 36.82 39.10 3kbi h ILE 271 CO -0.01 0.43 -0.04 1.56 -3.07 0.00 0.00 178.15 177.02 3kbi h GLN 272 N 0.14 0.35 -0.13 2.19 4.20 -1.29 -2.45 115.11 118.12 3kbi h GLN 272 Ca 0.01 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 3kbi h GLN 272 Cb 0.76 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 3kbi h GLN 272 CO 0.06 0.61 -0.25 0.00 -0.67 0.00 0.00 178.83 178.58 3kbi h ALA 274 N 1.54 0.60 -0.09 0.00 0.00 -1.13 -2.21 119.26 117.96 3kbi h ALA 274 Ca 0.03 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 3kbi h ALA 274 Cb 0.56 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kbi h ALA 274 CO 0.04 0.41 -0.72 0.87 0.00 0.00 0.00 179.25 179.85 3kbi h LYS 275 N 0.64 0.45 -0.98 0.00 1.57 -1.27 -0.14 116.57 116.84 3kbi h LYS 275 Ca 0.13 -0.36 0.05 0.00 -1.87 0.00 0.00 60.65 58.59 3kbi h LYS 275 Cb 0.51 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 3kbi h LYS 275 CO 0.03 0.99 0.64 0.00 -0.57 0.00 0.00 179.45 180.53 3kbi h ALA 276 N 0.91 1.32 0.01 3.86 0.00 -1.17 -2.31 119.26 121.88 3kbi h ALA 276 Ca -0.03 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.57 3kbi h ALA 276 Cb 1.29 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 18.77 3kbi h ALA 276 CO 0.13 0.49 -1.06 1.96 0.00 0.00 0.00 179.25 180.77 3kbi h GLN 277 N 1.21 0.70 -4.45 0.00 4.20 -1.26 -3.40 115.11 112.12 3kbi h GLN 277 Ca 0.40 -0.77 -0.71 0.00 0.06 0.00 0.00 58.65 57.63 3kbi h GLN 277 Cb 0.06 0.22 -0.30 0.00 0.30 0.00 0.00 27.48 27.76 3kbi h GLN 277 CO -0.14 1.34 -0.48 0.00 -0.67 0.00 0.00 178.83 178.87 3kbi s ALA 278 N -3.30 3.26 0.60 3.87 0.00 -0.08 -5.08 121.76 121.04 3kbi s ALA 278 Ca -0.10 -2.26 -0.13 0.00 0.00 0.00 0.00 51.96 49.47 3kbi s ALA 278 Cb 0.07 -2.60 -0.10 0.00 0.00 0.00 0.00 23.12 20.48 3kbi s ALA 278 CO 0.92 -1.70 -0.69 0.41 0.00 0.00 0.00 175.76 174.70 3kbi n GLY 279 N 4.85 -2.38 3.76 0.00 0.00 -1.18 -4.37 105.19 105.86 3kbi n GLY 279 Ca -0.09 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 3kbi n GLY 279 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kbi s GLU 280 N -1.21 3.67 0.00 1.61 2.12 -1.26 -1.71 118.70 121.93 3kbi s GLU 280 Ca 0.23 2.30 0.00 0.00 0.36 0.00 0.00 54.97 57.86 3kbi s GLU 280 Cb -0.03 -2.61 0.00 0.00 0.26 0.00 0.00 34.13 31.75 3kbi s GLU 280 CO 0.46 -0.79 0.00 0.41 -0.54 0.00 0.00 175.26 174.80 3kbi n GLY 281 N 0.62 2.72 3.73 -1.50 0.00 -1.26 -4.99 105.19 104.50 3kbi n GLY 281 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3kbi n GLY 281 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kbi s VAL 282 N -1.19 4.36 -0.16 1.61 1.01 -0.69 -5.01 120.40 120.32 3kbi s VAL 282 Ca 0.00 1.91 -0.29 0.00 0.00 0.00 0.00 61.98 63.60 3kbi s VAL 282 Cb 0.00 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 3kbi s VAL 282 CO 0.00 0.27 0.99 -0.60 0.00 0.00 0.00 175.10 175.76 3kbi s ARG 283 N 0.14 4.34 0.65 2.72 3.52 -1.26 -4.79 118.95 124.27 3kbi s ARG 283 Ca 0.49 1.32 -0.18 0.00 -0.13 0.00 0.00 55.73 57.24 3kbi s ARG 283 Cb -0.25 -3.59 -0.01 0.00 -1.56 0.00 0.00 34.95 29.55 3kbi s ARG 283 CO 0.31 -0.44 1.25 -2.14 -0.81 0.00 0.00 175.30 173.46 3kbi s PRO 284 N 2.50 2.59 0.63 5.12 0.02 -1.26 -5.03 135.00 139.58 3kbi s PRO 284 Ca 0.45 1.92 -0.03 0.00 0.02 0.00 0.00 61.00 63.36 3kbi s PRO 284 Cb -0.17 -1.87 0.05 0.00 0.02 0.00 0.00 34.50 32.53 3kbi s PRO 284 CO 0.12 -1.53 0.91 -1.54 -0.33 0.00 0.00 177.00 174.64 3kbi s SER 285 N -1.60 5.05 0.50 2.53 1.04 -1.26 -4.91 113.70 115.06 3kbi s SER 285 Ca 0.79 0.29 0.15 0.00 0.48 0.00 0.00 55.95 57.67 3kbi s SER 285 Cb -0.33 -1.06 1.22 0.00 0.10 0.00 0.00 66.02 65.94 3kbi s SER 285 CO 0.39 -1.38 2.12 -0.65 0.98 0.00 0.00 173.24 174.70 3kbi h PRO 286 N -0.30 0.08 -0.32 4.02 0.11 -1.95 -1.56 132.00 132.08 3kbi h PRO 286 Ca -0.44 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 3kbi h PRO 286 Cb 1.30 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3kbi h PRO 286 CO 0.57 0.06 -0.05 1.98 -0.21 0.00 0.00 178.00 180.35 3kbi h MET 287 N 0.09 0.60 0.00 1.05 4.05 -1.98 -2.84 114.93 115.89 3kbi h MET 287 Ca 0.05 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 59.25 3kbi h MET 287 Cb 0.09 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 3kbi h MET 287 CO -0.01 0.76 0.00 1.96 0.23 0.00 0.00 176.91 179.86 3kbi h GLN 288 N 0.38 0.00 -0.19 0.39 4.20 -1.78 -3.09 115.11 115.02 3kbi h GLN 288 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3kbi h GLN 288 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3kbi h GLN 288 CO 0.03 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.47 3kbi n LEU 289 N -2.79 2.25 -4.77 1.46 4.77 -0.65 -4.09 117.00 113.19 3kbi n LEU 289 Ca 0.02 -0.91 -0.41 0.00 -0.03 0.00 0.00 56.01 54.68 3kbi n LEU 289 Cb 0.36 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3kbi n LEU 289 CO 0.28 0.46 1.15 -1.61 -1.33 0.00 0.00 177.39 176.33 3kbi s GLU 290 N -1.76 4.15 0.31 3.23 0.41 -1.13 -4.69 118.70 119.22 3kbi s GLU 290 Ca 0.34 2.52 -0.29 0.00 -0.41 0.00 0.00 54.97 57.13 3kbi s GLU 290 Cb 0.19 -3.00 -0.12 0.00 -1.78 0.00 0.00 34.13 29.42 3kbi s GLU 290 CO 0.29 -0.52 1.37 1.28 -0.49 0.00 0.00 175.26 177.18 3kbi n LEU 291 N 1.12 3.59 -4.04 1.80 4.77 -1.26 -4.85 117.00 118.13 3kbi n LEU 291 Ca 0.03 1.19 -0.43 0.00 -0.03 0.00 0.00 56.01 56.77 3kbi n LEU 291 Cb 0.39 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 3kbi n LEU 291 CO 0.63 -0.38 1.70 0.54 -1.33 0.00 0.00 177.39 178.55 3kbi n ARG 292 N 1.11 3.65 0.07 3.23 5.12 -1.26 -4.78 116.66 123.80 3kbi n ARG 292 Ca 0.07 -3.75 -0.12 0.00 -1.93 0.00 0.00 57.85 52.12 3kbi n ARG 292 Cb 0.35 -2.89 -0.08 0.00 -1.16 0.00 0.00 32.46 28.67 3kbi n ARG 292 CO 0.00 0.00 0.00 1.98 -1.93 0.00 0.00 177.63 177.68 3kbi h MET 293 N 6.06 -0.21 -0.60 5.56 4.05 -1.92 -3.10 114.93 124.77 3kbi h MET 293 Ca 0.35 0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.88 3kbi h MET 293 Cb 0.69 0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.47 3kbi h MET 293 CO 1.49 0.19 0.22 0.28 0.23 0.00 0.00 176.91 179.32 3kbi h VAL 294 N -0.71 0.77 0.00 -5.77 2.07 -2.00 -0.57 116.25 110.03 3kbi h VAL 294 Ca -0.02 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3kbi h VAL 294 Cb 0.50 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3kbi h VAL 294 CO 0.04 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.70 3kbi n GLN 295 N -5.00 0.02 -0.61 1.57 3.00 -1.25 -2.90 117.38 112.21 3kbi n GLN 295 Ca 0.08 0.26 0.10 0.00 -0.01 0.00 0.00 57.00 57.43 3kbi n GLN 295 Cb 0.27 -1.55 0.36 0.00 0.00 0.00 0.00 30.24 29.33 3kbi n GLN 295 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3kbi n SER 296 N -1.59 4.75 -0.23 1.08 7.64 -0.22 -4.65 113.62 120.40 3kbi n SER 296 Ca 0.03 -2.43 0.02 0.00 1.01 0.00 0.00 58.87 57.51 3kbi n SER 296 Cb 0.18 -0.58 0.11 0.00 -1.01 0.00 0.00 64.21 62.92 3kbi n SER 296 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3kbi h LYS 297 N 4.11 0.08 -0.29 1.43 3.64 -1.56 -0.77 116.57 123.22 3kbi h LYS 297 Ca 0.00 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3kbi h LYS 297 Cb 1.44 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.22 3kbi h LYS 297 CO 0.22 0.05 -0.15 0.00 -2.27 0.00 0.00 179.45 177.31 3kbi h ARG 298 N 0.09 0.50 -0.10 1.90 2.47 -1.89 -1.53 114.38 115.82 3kbi h ARG 298 Ca 0.35 -0.15 -0.10 0.00 -1.26 0.00 0.00 59.98 58.82 3kbi h ARG 298 Cb 0.58 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 3kbi h ARG 298 CO -0.61 0.64 -0.40 -0.44 0.56 0.00 0.00 179.97 179.73 3kbi h ASP 299 N 0.46 0.22 -0.14 7.04 3.32 -1.47 -2.28 116.42 123.57 3kbi h ASP 299 Ca 0.08 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 3kbi h ASP 299 Cb 0.53 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3kbi h ASP 299 CO 0.03 0.60 -0.43 0.40 -1.72 0.00 0.00 179.24 178.13 3kbi h ILE 300 N 0.18 1.35 -0.43 0.35 2.04 -0.72 -2.41 117.51 117.87 3kbi h ILE 300 Ca 0.02 -1.71 -0.00 0.00 1.00 0.00 0.00 64.86 64.16 3kbi h ILE 300 Cb 0.79 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 3kbi h ILE 300 CO 0.06 0.52 0.25 -0.33 0.00 0.00 0.00 178.15 178.65 3kbi h GLU 301 N 0.17 0.59 -1.77 2.37 5.08 -1.15 -3.40 114.58 116.47 3kbi h GLU 301 Ca -0.01 -0.06 -0.35 0.00 -1.00 0.00 0.00 59.36 57.94 3kbi h GLU 301 Cb 1.05 -0.12 -0.29 0.00 0.50 0.00 0.00 28.75 29.89 3kbi h GLU 301 CO 0.09 0.45 -0.70 0.34 -1.00 0.00 0.00 179.01 178.20 3kbi s ASP 302 N -5.69 0.45 -0.02 1.42 2.15 -0.87 -5.06 116.67 109.05 3kbi s ASP 302 Ca -0.13 -1.92 -0.30 0.00 0.43 0.00 0.00 52.55 50.63 3kbi s ASP 302 Cb 0.11 0.72 -0.05 0.00 -0.30 0.00 0.00 42.92 43.40 3kbi s ASP 302 CO 0.74 -0.18 1.44 -2.16 -0.17 0.00 0.00 175.17 174.83 3kbi s PRO 303 N 1.00 4.26 -0.01 4.34 0.04 -0.91 -4.70 135.00 139.02 3kbi s PRO 303 Ca 0.24 1.99 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 3kbi s PRO 303 Cb -0.07 -3.66 -0.06 0.00 0.04 0.00 0.00 34.50 30.75 3kbi s PRO 303 CO -0.07 -0.64 1.59 -2.00 0.04 0.00 0.00 177.00 175.92 3kbi s GLU 304 N 2.78 4.21 -0.01 4.56 2.12 -1.26 -4.92 118.70 126.18 3kbi s GLU 304 Ca 0.65 2.17 -0.30 0.00 0.36 0.00 0.00 54.97 57.85 3kbi s GLU 304 Cb -0.31 -3.78 -0.07 0.00 0.26 0.00 0.00 34.13 30.23 3kbi s GLU 304 CO 0.26 -0.75 1.75 0.42 -0.54 0.00 0.00 175.26 176.40 3kbi s ILE 305 N 3.27 3.34 -0.04 -3.70 -1.09 -1.26 -4.86 121.20 116.86 3kbi s ILE 305 Ca 0.71 0.46 0.05 0.00 -2.23 0.00 0.00 60.65 59.65 3kbi s ILE 305 Cb -0.35 -3.30 0.08 0.00 -1.58 0.00 0.00 42.46 37.32 3kbi s ILE 305 CO 0.29 -0.04 0.98 1.33 -1.23 0.00 0.00 174.94 176.27 3kbi n VAL 306 N 5.41 1.05 -3.76 2.92 0.24 -1.26 -5.02 118.33 117.91 3kbi n VAL 306 Ca 0.18 -1.16 -0.13 0.00 -2.04 0.00 0.00 64.34 61.20 3kbi n VAL 306 Cb 0.42 0.36 -0.11 0.00 -1.47 0.00 0.00 33.84 33.04 3kbi n VAL 306 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3kbi s VAL 307 N -1.32 -0.01 -0.15 3.34 -7.23 -1.26 -5.06 120.40 108.72 3kbi s VAL 307 Ca 0.09 0.02 -0.04 0.00 -1.81 0.00 0.00 61.98 60.24 3kbi s VAL 307 Cb 0.08 -0.45 -0.03 0.00 0.56 0.00 0.00 36.38 36.54 3kbi s VAL 307 CO 0.01 0.01 -0.03 -1.10 -0.31 0.00 0.00 175.10 173.68 3kbi s GLN 308 N 0.36 3.58 0.07 4.82 -1.52 -1.26 -4.83 119.66 120.89 3kbi s GLN 308 Ca -0.02 -0.50 -0.10 0.00 -1.95 0.00 0.00 55.36 52.80 3kbi s GLN 308 Cb -0.03 -2.91 -0.06 0.00 -0.22 0.00 0.00 33.01 29.79 3kbi s GLN 308 CO -0.01 0.31 0.40 0.00 -0.25 0.00 0.00 175.29 175.74 3kbi s ALA 309 N 0.17 3.73 -0.10 6.09 0.00 -1.26 -4.70 121.76 125.69 3kbi s ALA 309 Ca -0.01 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 3kbi s ALA 309 Cb -0.14 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 3kbi s ALA 309 CO 0.03 0.56 -0.08 0.95 0.00 0.00 0.00 175.76 177.21 3kbi s THR 310 N -1.38 3.53 -0.12 0.00 -4.23 0.10 -4.90 115.64 108.64 3kbi s THR 310 Ca 0.32 -0.52 -0.29 0.00 -1.18 0.00 0.00 61.69 60.02 3kbi s THR 310 Cb -0.14 -2.47 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 3kbi s THR 310 CO 0.18 0.55 0.99 -0.69 -0.54 0.00 0.00 174.62 175.11 3kbi s VAL 311 N -0.24 4.79 -2.12 2.29 1.01 -1.26 -0.75 120.40 124.11 3kbi s VAL 311 Ca 0.03 2.00 0.31 0.00 0.00 0.00 0.00 61.98 64.32 3kbi s VAL 311 Cb -0.13 -4.30 0.82 0.00 0.00 0.00 0.00 36.38 32.78 3kbi s VAL 311 CO 0.03 0.00 2.11 0.18 0.00 0.00 0.00 175.10 177.42