#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jft s THR 3 N 0.00 1.59 0.32 0.00 -1.32 -1.26 -4.77 115.64 110.21 1jft s THR 3 Ca 0.00 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.49 1jft s THR 3 Cb 0.00 -2.71 0.27 0.00 -1.51 0.00 0.00 72.50 68.55 1jft s THR 3 CO 0.00 0.00 1.97 -0.29 -2.21 0.00 0.00 174.62 174.09 1jft h ILE 4 N 1.71 1.14 -0.86 5.08 2.10 -1.99 -1.13 117.51 123.55 1jft h ILE 4 Ca -0.43 -0.33 0.07 0.00 1.08 0.00 0.00 64.86 65.24 1jft h ILE 4 Cb 1.26 0.09 -0.06 0.00 -1.09 0.00 0.00 36.82 37.01 1jft h ILE 4 CO 0.76 0.18 0.53 0.11 -1.08 0.00 0.00 178.15 178.65 1jft h LYS 5 N 0.97 0.92 -0.37 2.19 1.57 -1.96 0.23 116.57 120.13 1jft h LYS 5 Ca 0.30 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1jft h LYS 5 Cb 0.00 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1jft h LYS 5 CO -0.08 0.61 0.19 -0.44 -0.57 0.00 0.00 179.45 179.16 1jft h ASP 6 N 0.95 0.47 -0.56 0.86 3.32 -1.60 -1.99 116.42 117.87 1jft h ASP 6 Ca 0.38 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 1jft h ASP 6 Cb 0.21 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1jft h ASP 6 CO -0.19 0.45 0.13 0.58 -1.72 0.00 0.00 179.24 178.49 1jft h VAL 7 N 0.46 1.25 -0.40 -1.35 2.07 -0.94 -1.80 116.25 115.53 1jft h VAL 7 Ca 0.13 -0.88 0.07 0.00 0.82 0.00 0.00 66.70 66.83 1jft h VAL 7 Cb 0.10 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 1jft h VAL 7 CO -0.02 0.33 0.05 0.00 0.02 0.00 0.00 177.57 177.95 1jft h ALA 8 N 1.02 0.41 -0.71 1.67 0.00 -0.31 -0.30 119.26 121.04 1jft h ALA 8 Ca 0.17 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1jft h ALA 8 Cb 0.35 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1jft h ALA 8 CO 0.00 -0.35 0.23 -0.22 0.00 0.00 0.00 179.25 178.92 1jft h LYS 9 N 0.17 1.08 0.00 0.00 3.64 -1.17 0.28 116.57 120.57 1jft h LYS 9 Ca 0.20 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1jft h LYS 9 Cb 0.25 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1jft h LYS 9 CO -0.28 0.91 0.00 -0.09 -2.27 0.00 0.00 179.45 177.72 1jft h ARG 10 N 1.04 0.00 0.00 1.90 9.65 -0.63 -2.92 114.38 123.42 1jft h ARG 10 Ca 0.23 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 1jft h ARG 10 Cb 0.27 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 1jft h ARG 10 CO -0.01 0.00 -1.19 0.00 2.80 0.00 0.00 179.97 181.57 1jft n ALA 11 N -2.07 3.75 -2.94 2.80 0.00 -0.19 -4.88 120.51 116.99 1jft n ALA 11 Ca 0.01 -0.48 -0.12 0.00 0.00 0.00 0.00 53.44 52.85 1jft n ALA 11 Cb 0.33 -0.64 0.05 0.00 0.00 0.00 0.00 19.45 19.19 1jft n ALA 11 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jft n ASN 12 N -1.67 -5.91 -3.90 0.00 4.13 0.89 -4.88 115.26 103.93 1jft n ASN 12 Ca 0.01 -0.55 -0.08 0.00 1.68 0.00 0.00 54.58 55.64 1jft n ASN 12 Cb 0.35 -4.41 -0.03 0.00 -1.54 0.00 0.00 39.78 34.15 1jft n ASN 12 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1jft s VAL 13 N -3.30 0.00 0.65 2.41 -7.23 -0.53 -5.03 120.40 107.37 1jft s VAL 13 Ca 0.36 -1.19 -0.11 0.00 -1.81 0.00 0.00 61.98 59.23 1jft s VAL 13 Cb -0.05 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 1jft s VAL 13 CO 0.61 0.00 1.04 -0.94 -0.31 0.00 0.00 175.10 175.51 1jft s SER 14 N -2.97 5.89 0.25 4.85 1.04 -1.26 -4.28 113.70 117.23 1jft s SER 14 Ca 0.16 1.45 0.03 0.00 0.48 0.00 0.00 55.95 58.07 1jft s SER 14 Cb -0.04 -2.43 0.32 0.00 0.10 0.00 0.00 66.02 63.97 1jft s SER 14 CO 0.08 -1.09 1.63 0.71 0.98 0.00 0.00 173.24 175.55 1jft h THR 15 N -0.47 1.32 -0.47 2.02 1.35 -1.92 -2.17 112.91 112.56 1jft h THR 15 Ca -0.44 -1.62 0.08 0.00 -0.55 0.00 0.00 66.41 63.87 1jft h THR 15 Cb 1.20 1.69 -0.06 0.00 -1.73 0.00 0.00 68.15 69.25 1jft h THR 15 CO 0.61 0.49 0.10 0.74 -0.25 0.00 0.00 175.52 177.21 1jft h THR 16 N 0.31 0.75 -0.05 6.82 2.02 -1.98 0.14 112.91 120.92 1jft h THR 16 Ca 0.02 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1jft h THR 16 Cb 0.91 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1jft h THR 16 CO 0.08 0.04 -0.05 0.74 0.37 0.00 0.00 175.52 176.70 1jft h THR 17 N 0.24 0.86 -0.28 3.16 2.02 -1.82 -0.88 112.91 116.21 1jft h THR 17 Ca 0.23 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.48 1jft h THR 17 Cb 0.30 0.86 -0.07 0.00 -1.74 0.00 0.00 68.15 67.50 1jft h THR 17 CO -0.30 0.00 -0.16 0.58 0.37 0.00 0.00 175.52 176.01 1jft h VAL 18 N -0.06 0.53 -0.38 3.16 2.07 -0.65 0.15 116.25 121.06 1jft h VAL 18 Ca 0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.65 1jft h VAL 18 Cb 0.12 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1jft h VAL 18 CO -0.09 0.00 0.27 -1.28 0.02 0.00 0.00 177.57 176.49 1jft h SER 19 N -0.13 0.09 0.13 0.57 0.87 -0.61 -1.34 113.55 113.14 1jft h SER 19 Ca 0.15 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.53 1jft h SER 19 Cb 0.36 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1jft h SER 19 CO -0.36 0.06 -0.67 0.45 -0.53 0.00 0.00 176.83 175.77 1jft h HIS 20 N 0.10 0.65 0.08 2.24 3.86 0.71 -1.94 115.15 120.85 1jft h HIS 20 Ca 0.18 -0.27 -0.27 0.00 -1.16 0.00 0.00 60.37 58.85 1jft h HIS 20 Cb 0.57 -0.11 0.02 0.00 1.06 0.00 0.00 27.41 28.95 1jft h HIS 20 CO -0.00 1.02 -1.14 -0.39 0.86 0.00 0.00 177.93 178.28 1jft h VAL 21 N 0.36 1.36 -0.52 2.45 -1.51 -0.80 0.26 116.25 117.86 1jft h VAL 21 Ca -0.02 -2.56 -0.02 0.00 -1.23 0.00 0.00 66.70 62.87 1jft h VAL 21 Cb 1.24 2.64 -0.03 0.00 -2.13 0.00 0.00 31.29 33.02 1jft h VAL 21 CO 0.12 0.77 0.24 0.40 -1.23 0.00 0.00 177.57 177.88 1jft h ILE 22 N 0.23 1.18 -0.33 7.19 2.04 -1.28 -2.98 117.51 123.56 1jft h ILE 22 Ca -0.14 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1jft h ILE 22 Cb 1.81 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1jft h ILE 22 CO 0.21 0.20 0.00 0.59 0.00 0.00 0.00 178.15 179.15 1jft n ASN 23 N -4.37 2.90 -2.03 1.72 5.03 -0.73 -4.96 115.26 112.80 1jft n ASN 23 Ca 0.04 -1.91 -0.09 0.00 0.87 0.00 0.00 54.58 53.49 1jft n ASN 23 Cb 0.13 -0.22 -0.02 0.00 -1.02 0.00 0.00 39.78 38.65 1jft n ASN 23 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1jft n LYS 24 N 0.70 -2.01 0.00 3.52 5.02 0.88 -4.80 118.16 121.47 1jft n LYS 24 Ca 0.12 0.46 0.14 0.00 -2.02 0.00 0.00 58.31 57.01 1jft n LYS 24 Cb 0.43 -4.88 0.69 0.00 -0.02 0.00 0.00 35.03 31.25 1jft n LYS 24 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1jft n THR 25 N -2.58 0.10 -3.55 -0.18 5.66 -0.95 -4.87 114.28 107.90 1jft n THR 25 Ca -0.10 0.03 -0.08 0.00 -3.05 0.00 0.00 64.05 60.84 1jft n THR 25 Cb 0.48 -0.57 -0.03 0.00 -1.55 0.00 0.00 70.33 68.65 1jft n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jft s ARG 26 N -2.59 0.62 0.22 1.09 1.70 -1.26 -5.09 118.95 113.64 1jft s ARG 26 Ca 0.25 -0.09 -0.30 0.00 -0.47 0.00 0.00 55.73 55.12 1jft s ARG 26 Cb 0.18 0.29 -0.10 0.00 -0.57 0.00 0.00 34.95 34.76 1jft s ARG 26 CO 0.42 -0.24 1.45 0.12 -1.08 0.00 0.00 175.30 175.97 1jft s PHE 27 N -2.15 3.07 -0.02 5.89 2.19 -1.26 -4.76 117.98 120.93 1jft s PHE 27 Ca 0.03 0.96 0.02 0.00 0.33 0.00 0.00 56.93 58.27 1jft s PHE 27 Cb -0.01 -3.81 0.00 0.00 -1.31 0.00 0.00 43.02 37.89 1jft s PHE 27 CO -0.04 -2.73 -0.07 0.08 1.83 0.00 0.00 175.22 174.29 1jft s VAL 28 N 0.33 0.63 0.47 3.12 1.01 -1.26 -5.09 120.40 119.62 1jft s VAL 28 Ca 0.62 -0.28 -0.22 0.00 0.00 0.00 0.00 61.98 62.09 1jft s VAL 28 Cb -0.41 -0.57 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 1jft s VAL 28 CO 0.39 0.20 0.95 0.00 0.00 0.00 0.00 175.10 176.64 1jft n ALA 29 N 3.31 0.04 0.07 5.51 0.00 -1.26 -4.64 120.51 123.53 1jft n ALA 29 Ca -0.18 0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 1jft n ALA 29 Cb 0.55 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 17.91 1jft n ALA 29 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1jft h GLU 30 N 1.20 -0.25 -1.25 0.00 4.81 -1.99 0.46 114.58 117.56 1jft h GLU 30 Ca -0.45 0.02 0.36 0.00 -0.13 0.00 0.00 59.36 59.16 1jft h GLU 30 Cb 1.35 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.74 1jft h GLU 30 CO 0.55 -0.17 0.97 1.05 -0.73 0.00 0.00 179.01 180.68 1jft h GLU 31 N -0.26 0.00 0.08 1.92 4.11 -1.99 0.59 114.58 119.04 1jft h GLU 31 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 1jft h GLU 31 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1jft h GLU 31 CO -0.03 0.00 -0.04 1.15 0.07 0.00 0.00 179.01 180.16 1jft h THR 32 N 0.00 0.84 -0.77 -1.06 2.02 -1.66 -2.58 112.91 109.70 1jft h THR 32 Ca 0.59 -1.40 0.17 0.00 0.77 0.00 0.00 66.41 66.54 1jft h THR 32 Cb 2.52 1.51 -0.11 0.00 -1.74 0.00 0.00 68.15 70.32 1jft h THR 32 CO -0.01 0.26 0.22 -0.09 0.37 0.00 0.00 175.52 176.27 1jft h ARG 33 N -0.95 0.29 0.84 6.66 2.43 0.35 -1.25 114.38 122.76 1jft h ARG 33 Ca -0.01 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1jft h ARG 33 Cb 0.50 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1jft h ARG 33 CO 0.02 0.20 -0.46 -0.91 -1.51 0.00 0.00 179.97 177.31 1jft h ASN 34 N 0.30 -1.12 -0.95 -3.80 -0.26 -0.06 -1.45 115.58 108.24 1jft h ASN 34 Ca 0.44 0.05 0.27 0.00 -0.56 0.00 0.00 56.30 56.50 1jft h ASN 34 Cb 0.77 0.31 -0.14 0.00 -1.06 0.00 0.00 38.32 38.19 1jft h ASN 34 CO -0.51 -0.74 0.45 0.00 -1.06 0.00 0.00 177.43 175.57 1jft h ALA 35 N -1.33 1.66 -0.10 -0.83 0.00 -0.95 0.57 119.26 118.28 1jft h ALA 35 Ca -0.11 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1jft h ALA 35 Cb 0.94 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1jft h ALA 35 CO 0.16 -0.47 0.03 0.28 0.00 0.00 0.00 179.25 179.25 1jft h VAL 36 N 0.33 1.17 -0.54 0.00 2.07 -1.00 0.13 116.25 118.41 1jft h VAL 36 Ca 0.64 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.69 1jft h VAL 36 Cb 1.37 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 32.42 1jft h VAL 36 CO -0.60 0.15 0.31 -0.50 0.02 0.00 0.00 177.57 176.95 1jft h TRP 37 N -0.02 0.58 -0.48 1.57 -0.00 0.71 0.49 115.95 118.79 1jft h TRP 37 Ca 0.03 0.02 0.10 0.00 -0.00 0.00 0.00 58.89 59.04 1jft h TRP 37 Cb 0.21 -0.18 -0.09 0.00 -0.00 0.00 0.00 29.16 29.10 1jft h TRP 37 CO -0.01 0.31 -0.06 0.00 -0.00 0.00 0.00 178.44 178.69 1jft h ALA 38 N 1.26 0.39 -0.21 1.49 0.00 0.37 0.18 119.26 122.74 1jft h ALA 38 Ca 0.22 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1jft h ALA 38 Cb 0.06 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1jft h ALA 38 CO -0.12 -0.42 0.06 0.00 0.00 0.00 0.00 179.25 178.77 1jft h ALA 39 N 1.46 0.27 -0.95 0.00 0.00 0.19 -2.38 119.26 117.85 1jft h ALA 39 Ca 0.24 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 55.18 1jft h ALA 39 Cb 0.36 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1jft h ALA 39 CO -0.45 -0.09 0.60 0.82 0.00 0.00 0.00 179.25 180.13 1jft h ILE 40 N 0.15 0.75 0.01 0.00 2.04 0.15 -2.28 117.51 118.34 1jft h ILE 40 Ca 0.07 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 1jft h ILE 40 Cb 0.26 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1jft h ILE 40 CO -0.00 0.12 -0.25 0.11 0.00 0.00 0.00 178.15 178.13 1jft h LYS 41 N 0.65 0.14 0.46 2.37 1.79 -0.39 -0.12 116.57 121.48 1jft h LYS 41 Ca 0.51 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.79 1jft h LYS 41 Cb 0.91 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1jft h LYS 41 CO -0.26 0.95 -0.27 0.93 -1.08 0.00 0.00 179.45 179.72 1jft h GLU 42 N -0.59 -0.66 0.00 3.15 5.08 -1.19 -0.14 114.58 120.22 1jft h GLU 42 Ca -0.03 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1jft h GLU 42 Cb 1.05 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1jft h GLU 42 CO 0.05 -0.44 0.00 1.28 -1.00 0.00 0.00 179.01 178.89 1jft n LEU 43 N -5.41 0.15 -3.19 1.33 4.77 -0.88 -4.83 117.00 108.95 1jft n LEU 43 Ca -0.11 0.56 -0.07 0.00 -0.03 0.00 0.00 56.01 56.36 1jft n LEU 43 Cb 0.31 -0.57 0.02 0.00 -2.33 0.00 0.00 43.42 40.84 1jft n LEU 43 CO 0.34 -0.56 0.22 1.41 -1.33 0.00 0.00 177.39 177.47 1jft n HIS 44 N -1.69 -2.76 -3.48 -1.77 8.25 -0.07 -4.46 115.22 109.25 1jft n HIS 44 Ca 0.00 1.02 -0.37 0.00 -0.26 0.00 0.00 57.72 58.12 1jft n HIS 44 Cb 0.04 -3.98 -0.06 0.00 1.12 0.00 0.00 29.99 27.11 1jft n HIS 44 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1jft s TYR 45 N -3.10 3.70 -0.20 4.41 6.14 -0.08 -4.58 117.35 123.65 1jft s TYR 45 Ca 0.12 0.99 -0.03 0.00 0.64 0.00 0.00 57.07 58.79 1jft s TYR 45 Cb -0.02 -2.30 0.06 0.00 0.42 0.00 0.00 41.96 40.13 1jft s TYR 45 CO 0.76 0.60 0.04 0.45 0.64 0.00 0.00 175.55 178.04 1jft s SER 46 N -1.27 2.92 0.67 4.32 0.15 -1.26 -4.97 113.70 114.25 1jft s SER 46 Ca 0.27 -0.84 -0.17 0.00 0.70 0.00 0.00 55.95 55.91 1jft s SER 46 Cb -0.16 -0.57 -0.07 0.00 -1.71 0.00 0.00 66.02 63.51 1jft s SER 46 CO 0.15 -0.32 0.42 -2.65 1.20 0.00 0.00 173.24 172.05 1jft n PRO 47 N 5.06 0.33 -3.65 5.44 -0.02 -1.26 -4.91 135.00 136.00 1jft n PRO 47 Ca -0.09 0.14 -0.40 0.00 -2.02 0.00 0.00 63.50 61.14 1jft n PRO 47 Cb 0.47 -1.68 -0.11 0.00 -0.02 0.00 0.00 33.50 32.15 1jft n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jft s SER 48 N -1.31 5.60 0.61 2.55 0.15 -1.26 -4.89 113.70 115.14 1jft s SER 48 Ca 0.65 -1.10 0.34 0.00 0.70 0.00 0.00 55.95 56.54 1jft s SER 48 Cb -0.39 -1.97 1.97 0.00 -1.71 0.00 0.00 66.02 63.92 1jft s SER 48 CO 0.58 -0.38 2.28 0.00 1.20 0.00 0.00 173.24 176.92 1jft h ALA 49 N 8.37 1.37 -0.04 5.45 0.00 -1.99 -0.64 119.26 131.77 1jft h ALA 49 Ca -0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1jft h ALA 49 Cb 1.09 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1jft h ALA 49 CO 0.66 0.01 0.00 0.28 0.00 0.00 0.00 179.25 180.20 1jft h VAL 50 N 0.00 1.24 0.17 0.00 2.07 -1.99 -0.61 116.25 117.13 1jft h VAL 50 Ca -0.00 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1jft h VAL 50 Cb 0.02 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1jft h VAL 50 CO 0.00 0.20 -0.08 0.00 0.02 0.00 0.00 177.57 177.70 1jft h ALA 51 N 0.73 -0.23 -0.20 1.67 0.00 -1.65 -2.28 119.26 117.29 1jft h ALA 51 Ca 0.01 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1jft h ALA 51 Cb 0.31 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1jft h ALA 51 CO 0.00 -0.60 -0.23 -0.09 0.00 0.00 0.00 179.25 178.33 1jft h ARG 52 N -0.29 -0.25 -0.27 0.00 2.43 -1.17 -0.09 114.38 114.74 1jft h ARG 52 Ca -0.02 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1jft h ARG 52 Cb 0.22 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1jft h ARG 52 CO 0.04 -0.17 0.20 0.77 -1.51 0.00 0.00 179.97 179.30 1jft h SER 53 N -0.26 0.01 -0.38 -3.80 0.02 -1.02 0.45 113.55 108.57 1jft h SER 53 Ca 0.12 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1jft h SER 53 Cb 0.44 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1jft h SER 53 CO -0.35 0.01 0.23 0.25 -1.14 0.00 0.00 176.83 175.83 1jft h LEU 54 N 0.01 0.38 0.25 5.07 6.46 -0.41 -0.42 115.31 126.66 1jft h LEU 54 Ca 0.13 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1jft h LEU 54 Cb 0.51 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1jft h LEU 54 CO -0.00 0.28 -0.12 0.11 -0.62 0.00 0.00 178.44 178.08 1jft h LYS 55 N 0.47 -0.32 0.00 1.25 1.79 -0.83 -3.35 116.57 115.57 1jft h LYS 55 Ca 0.15 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1jft h LYS 55 Cb -0.02 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1jft h LYS 55 CO -0.06 -0.22 0.00 1.33 -1.08 0.00 0.00 179.45 179.43 1jft n VAL 56 N -4.61 1.10 -3.12 0.50 0.24 -0.01 -4.92 118.33 107.52 1jft n VAL 56 Ca -0.04 0.36 -0.14 0.00 -2.04 0.00 0.00 64.34 62.48 1jft n VAL 56 Cb 0.13 -1.25 0.06 0.00 -1.47 0.00 0.00 33.84 31.31 1jft n VAL 56 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1jft n ASN 57 N -1.88 -2.95 -3.64 -1.34 5.15 -0.17 -5.02 115.26 105.41 1jft n ASN 57 Ca 0.02 -0.44 -0.06 0.00 -0.60 0.00 0.00 54.58 53.50 1jft n ASN 57 Cb 0.14 -3.87 -0.07 0.00 -0.53 0.00 0.00 39.78 35.45 1jft n ASN 57 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1jft s HIS 58 N -3.25 -0.26 -0.65 1.20 -3.43 -1.23 -5.06 115.29 102.60 1jft s HIS 58 Ca 0.12 0.64 0.20 0.00 -0.80 0.00 0.00 55.06 55.22 1jft s HIS 58 Cb -0.05 0.42 -0.24 0.00 -1.43 0.00 0.00 32.58 31.27 1jft s HIS 58 CO 0.53 -0.13 0.71 0.25 -2.00 0.00 0.00 174.74 174.11 1jft n THR 59 N 1.95 0.00 -3.47 -5.38 -2.24 -1.26 -4.38 114.28 99.50 1jft n THR 59 Ca -0.12 -0.17 -0.20 0.00 -2.27 0.00 0.00 64.05 61.30 1jft n THR 59 Cb 0.56 0.71 0.08 0.00 -2.10 0.00 0.00 70.33 69.59 1jft n THR 59 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1jft n LYS 60 N -1.68 -7.09 -4.30 -0.78 3.00 -1.26 -4.93 118.16 101.12 1jft n LYS 60 Ca 0.01 0.81 -0.18 0.00 -0.00 0.00 0.00 58.31 58.96 1jft n LYS 60 Cb 0.37 -5.75 -0.14 0.00 0.00 0.00 0.00 35.03 29.51 1jft n LYS 60 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1jft s SER 61 N -3.77 1.03 0.03 3.14 0.01 -1.26 -1.82 113.70 111.06 1jft s SER 61 Ca 0.30 -0.23 0.07 0.00 1.31 0.00 0.00 55.95 57.41 1jft s SER 61 Cb -0.13 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 1jft s SER 61 CO 0.70 0.06 -0.21 -0.63 0.41 0.00 0.00 173.24 173.57 1jft s ILE 62 N -0.40 1.71 -0.14 1.44 1.01 0.56 -0.14 121.20 125.23 1jft s ILE 62 Ca 0.02 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.52 1jft s ILE 62 Cb -0.04 -1.47 -0.00 0.00 0.01 0.00 0.00 42.46 40.95 1jft s ILE 62 CO -0.00 0.27 -0.18 -0.83 0.00 0.00 0.00 174.94 174.20 1jft s GLY 63 N -1.06 1.43 -0.32 6.18 0.00 -0.87 -0.92 107.32 111.77 1jft s GLY 63 Ca 0.08 -1.03 -0.12 0.00 0.00 0.00 0.00 44.72 43.64 1jft s GLY 63 CO 0.01 -0.06 0.23 -2.27 0.00 0.00 0.00 173.10 171.02 1jft s LEU 64 N 0.70 4.37 -0.99 0.66 2.96 0.16 -1.33 118.68 125.21 1jft s LEU 64 Ca -0.08 -0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 53.49 1jft s LEU 64 Cb -0.16 -2.15 0.25 0.00 0.50 0.00 0.00 46.19 44.63 1jft s LEU 64 CO 0.01 -0.19 0.93 -0.22 -1.32 0.00 0.00 176.35 175.57 1jft s LEU 65 N 1.75 5.98 0.80 -0.68 2.96 0.01 0.03 118.68 129.53 1jft s LEU 65 Ca 0.07 -3.59 -0.10 0.00 -0.22 0.00 0.00 54.13 50.28 1jft s LEU 65 Cb -0.17 -2.07 0.10 0.00 0.50 0.00 0.00 46.19 44.56 1jft s LEU 65 CO 0.11 -0.26 1.14 0.00 -1.32 0.00 0.00 176.35 176.02 1jft s ALA 66 N -1.21 2.82 -0.19 5.97 0.00 0.54 -1.86 121.76 127.83 1jft s ALA 66 Ca 0.28 -0.96 -0.23 0.00 0.00 0.00 0.00 51.96 51.05 1jft s ALA 66 Cb -0.09 -2.71 -0.21 0.00 0.00 0.00 0.00 23.12 20.10 1jft s ALA 66 CO -0.10 -1.70 0.36 1.15 0.00 0.00 0.00 175.76 175.47 1jft h THR 67 N -0.99 1.11 -2.79 0.00 2.02 -1.59 -1.28 112.91 109.39 1jft h THR 67 Ca -0.44 -2.23 0.01 0.00 0.77 0.00 0.00 66.41 64.51 1jft h THR 67 Cb 1.30 2.52 -0.13 0.00 -1.74 0.00 0.00 68.15 70.09 1jft h THR 67 CO 0.55 0.41 0.27 -0.55 0.37 0.00 0.00 175.52 176.58 1jft s SER 68 N -6.73 -0.53 0.00 4.18 0.15 -1.26 -1.43 113.70 108.08 1jft s SER 68 Ca -0.26 0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.44 1jft s SER 68 Cb 0.04 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 64.91 1jft s SER 68 CO 0.63 -0.88 0.49 -1.54 1.20 0.00 0.00 173.24 173.14 1jft n SER 69 N -0.28 1.01 -0.05 5.45 3.41 -1.26 -4.75 113.62 117.14 1jft n SER 69 Ca -0.15 -1.00 -0.10 0.00 -0.26 0.00 0.00 58.87 57.35 1jft n SER 69 Cb 0.64 0.13 -0.09 0.00 -0.26 0.00 0.00 64.21 64.63 1jft n SER 69 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1jft h GLU 70 N 0.30 -0.02 -5.74 4.33 4.22 -1.97 -3.31 114.58 112.39 1jft h GLU 70 Ca 0.00 0.00 -0.82 0.00 0.08 0.00 0.00 59.36 58.62 1jft h GLU 70 Cb 0.07 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.34 1jft h GLU 70 CO 0.00 0.67 0.53 0.00 -2.18 0.00 0.00 179.01 178.03 1jft n ALA 71 N -2.63 -1.80 -0.35 2.92 0.00 -1.26 -4.48 120.51 112.91 1jft n ALA 71 Ca -0.07 0.50 0.01 0.00 0.00 0.00 0.00 53.44 53.88 1jft n ALA 71 Cb 0.34 -1.80 0.07 0.00 0.00 0.00 0.00 19.45 18.05 1jft n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jft n ALA 72 N 3.29 -0.01 0.00 0.00 0.00 -1.26 0.40 120.51 122.94 1jft n ALA 72 Ca 0.27 0.95 -0.01 0.00 0.00 0.00 0.00 53.44 54.65 1jft n ALA 72 Cb -0.03 -0.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 1jft n ALA 72 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1jft h TYR 73 N 0.00 -0.10 -0.51 0.00 5.03 -1.97 -0.47 116.97 118.96 1jft h TYR 73 Ca 0.36 0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.77 1jft h TYR 73 Cb 0.59 0.04 -0.09 0.00 1.55 0.00 0.00 36.73 38.82 1jft h TYR 73 CO -0.78 -0.04 -0.11 0.74 -1.32 0.00 0.00 178.16 176.66 1jft h PHE 74 N -0.04 -0.23 -0.40 -3.82 0.05 -1.56 0.27 116.94 111.21 1jft h PHE 74 Ca 0.00 0.04 0.12 0.00 3.82 0.00 0.00 57.97 61.95 1jft h PHE 74 Cb 0.05 0.18 -0.02 0.00 2.00 0.00 0.00 35.95 38.16 1jft h PHE 74 CO -0.35 -0.20 0.31 0.00 -0.18 0.00 0.00 178.31 177.89 1jft h ALA 75 N 1.50 2.28 0.01 2.45 0.00 0.24 0.18 119.26 125.93 1jft h ALA 75 Ca 0.25 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.94 1jft h ALA 75 Cb 0.38 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1jft h ALA 75 CO -0.51 -0.52 -0.93 0.93 0.00 0.00 0.00 179.25 178.22 1jft h GLU 76 N 0.00 0.04 -0.10 0.00 5.08 0.12 -2.90 114.58 116.83 1jft h GLU 76 Ca 0.19 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1jft h GLU 76 Cb 0.82 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1jft h GLU 76 CO -0.00 0.94 -0.25 0.82 -1.00 0.00 0.00 179.01 179.51 1jft h ILE 77 N 0.02 1.40 -0.25 3.13 2.04 -0.84 -2.87 117.51 120.14 1jft h ILE 77 Ca -0.02 -1.57 0.05 0.00 1.00 0.00 0.00 64.86 64.32 1jft h ILE 77 Cb 1.63 2.16 -0.05 0.00 -0.74 0.00 0.00 36.82 39.81 1jft h ILE 77 CO 0.13 0.46 -0.07 0.40 0.00 0.00 0.00 178.15 179.06 1jft h ILE 78 N -0.10 0.73 -0.06 -0.67 2.04 -1.04 0.30 117.51 118.72 1jft h ILE 78 Ca -0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1jft h ILE 78 Cb 0.86 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1jft h ILE 78 CO 0.06 0.00 0.05 -0.08 0.00 0.00 0.00 178.15 178.17 1jft h GLU 79 N -0.01 0.00 -0.00 2.37 4.81 -1.57 0.12 114.58 120.29 1jft h GLU 79 Ca 0.12 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1jft h GLU 79 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1jft h GLU 79 CO -0.26 0.00 -0.01 0.00 -0.73 0.00 0.00 179.01 178.01 1jft h ALA 80 N 1.96 0.01 -0.17 2.92 0.00 -0.26 -2.41 119.26 121.30 1jft h ALA 80 Ca 0.03 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1jft h ALA 80 Cb 0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1jft h ALA 80 CO -0.00 -0.21 -0.05 0.28 0.00 0.00 0.00 179.25 179.27 1jft h VAL 81 N -0.54 0.80 -0.82 0.00 2.07 -0.41 -2.17 116.25 115.18 1jft h VAL 81 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1jft h VAL 81 Cb 0.57 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 1jft h VAL 81 CO 0.00 0.00 0.53 -0.08 0.02 0.00 0.00 177.57 178.04 1jft h GLU 82 N -0.02 0.79 -0.98 1.57 4.22 -1.02 -1.77 114.58 117.38 1jft h GLU 82 Ca 0.09 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.48 1jft h GLU 82 Cb 0.15 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1jft h GLU 82 CO -0.19 0.52 0.63 0.87 -2.18 0.00 0.00 179.01 178.66 1jft h LYS 83 N 0.82 1.30 -0.25 1.92 1.57 -0.86 -2.18 116.57 118.89 1jft h LYS 83 Ca 0.37 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.94 1jft h LYS 83 Cb 0.35 -0.29 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1jft h LYS 83 CO -0.14 0.88 -0.29 -0.91 -0.57 0.00 0.00 179.45 178.42 1jft h ASN 84 N 1.34 0.69 -0.36 0.86 2.35 -1.30 -2.44 115.58 116.71 1jft h ASN 84 Ca 0.36 -0.49 0.06 0.00 -0.55 0.00 0.00 56.30 55.68 1jft h ASN 84 Cb -0.12 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.00 1jft h ASN 84 CO -0.07 1.04 0.02 0.00 -1.65 0.00 0.00 177.43 176.77 1jft h PHE 86 N 0.13 0.44 0.00 0.00 3.04 -1.33 0.18 116.94 119.39 1jft h PHE 86 Ca 0.18 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.14 1jft h PHE 86 Cb 0.23 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.60 1jft h PHE 86 CO -0.23 0.27 0.00 -0.56 -2.02 0.00 0.00 178.31 175.77 1jft h GLN 87 N 0.48 0.00 -0.61 1.11 -0.00 -1.03 -1.73 115.11 113.34 1jft h GLN 87 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.80 1jft h GLN 87 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.46 1jft h GLN 87 CO -0.05 0.00 0.00 1.63 -0.00 0.00 0.00 178.83 180.41 1jft n LYS 88 N -3.02 3.94 0.00 0.06 4.01 -0.76 -4.95 118.16 117.43 1jft n LYS 88 Ca 0.01 -2.93 0.00 0.00 -0.51 0.00 0.00 58.31 54.87 1jft n LYS 88 Cb 0.29 -1.96 0.00 0.00 -0.51 0.00 0.00 35.03 32.86 1jft n LYS 88 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jft n GLY 89 N 0.92 2.88 3.71 0.72 0.00 -0.65 -5.03 105.19 107.75 1jft n GLY 89 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 1jft n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jft s TYR 90 N -0.90 1.96 -0.05 1.61 4.12 0.55 -4.88 117.35 119.76 1jft s TYR 90 Ca 0.00 1.66 0.01 0.00 0.02 0.00 0.00 57.07 58.76 1jft s TYR 90 Cb 0.00 -3.39 -0.03 0.00 -1.52 0.00 0.00 41.96 37.01 1jft s TYR 90 CO 0.00 -2.61 -0.07 0.99 0.02 0.00 0.00 175.55 173.89 1jft s THR 91 N -2.28 3.71 -0.14 -0.71 2.01 -0.76 -3.71 115.64 113.76 1jft s THR 91 Ca 0.71 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 62.10 1jft s THR 91 Cb -0.26 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1jft s THR 91 CO 0.50 0.54 0.04 -0.22 -0.69 0.00 0.00 174.62 174.79 1jft s LEU 92 N -0.99 3.74 -0.25 4.42 0.20 -1.26 -0.33 118.68 124.21 1jft s LEU 92 Ca 0.14 0.12 -0.02 0.00 0.69 0.00 0.00 54.13 55.06 1jft s LEU 92 Cb -0.11 -1.91 0.02 0.00 -0.43 0.00 0.00 46.19 43.76 1jft s LEU 92 CO 0.03 0.27 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.69 1jft s ILE 93 N -0.20 3.05 -0.24 6.68 1.01 -0.09 -4.97 121.20 126.44 1jft s ILE 93 Ca 0.07 -0.94 -0.16 0.00 0.00 0.00 0.00 60.65 59.61 1jft s ILE 93 Cb -0.12 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 1jft s ILE 93 CO 0.02 0.20 0.42 -0.22 0.00 0.00 0.00 174.94 175.36 1jft s LEU 94 N 1.36 4.09 -0.11 2.97 2.96 -1.26 0.40 118.68 129.08 1jft s LEU 94 Ca 0.01 0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 54.37 1jft s LEU 94 Cb -0.17 -2.53 0.03 0.00 0.50 0.00 0.00 46.19 44.02 1jft s LEU 94 CO -0.03 -0.16 -0.06 -0.83 -1.32 0.00 0.00 176.35 173.94 1jft s GLY 95 N 1.35 0.78 -0.22 7.98 0.00 0.10 -4.96 107.32 112.34 1jft s GLY 95 Ca 0.19 -0.51 -0.10 0.00 0.00 0.00 0.00 44.72 44.30 1jft s GLY 95 CO 0.09 0.90 0.14 -1.31 0.00 0.00 0.00 173.10 172.92 1jft s ASN 96 N 1.75 6.09 0.00 1.64 0.02 -1.26 -0.34 114.94 122.84 1jft s ASN 96 Ca 0.04 0.14 0.14 0.00 -1.02 0.00 0.00 52.86 52.17 1jft s ASN 96 Cb -0.13 -2.08 0.05 0.00 0.02 0.00 0.00 41.25 39.11 1jft s ASN 96 CO -0.08 0.11 0.85 0.00 0.02 0.00 0.00 177.10 178.00 1jft n ALA 97 N 3.98 2.78 -2.25 0.60 0.00 -0.48 -4.98 120.51 120.15 1jft n ALA 97 Ca -0.15 -0.55 -0.08 0.00 0.00 0.00 0.00 53.44 52.65 1jft n ALA 97 Cb 0.52 -0.48 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 1jft n ALA 97 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1jft n TRP 98 N 0.27 -1.43 -1.19 0.00 7.02 -0.52 0.14 117.44 121.73 1jft n TRP 98 Ca 0.07 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.48 1jft n TRP 98 Cb 0.32 -2.16 -0.03 0.00 -2.42 0.00 0.00 31.31 27.02 1jft n TRP 98 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1jft n ASN 99 N -1.41 -4.08 -4.43 -0.99 5.03 -1.26 -4.98 115.26 103.14 1jft n ASN 99 Ca -0.10 0.16 -0.41 0.00 0.87 0.00 0.00 54.58 55.11 1jft n ASN 99 Cb 0.52 -2.16 -0.11 0.00 -1.02 0.00 0.00 39.78 37.01 1jft n ASN 99 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1jft s ASN 100 N -2.70 5.87 0.18 6.41 2.47 0.12 -4.99 114.94 122.29 1jft s ASN 100 Ca 0.00 -0.82 -0.26 0.00 0.42 0.00 0.00 52.86 52.20 1jft s ASN 100 Cb 0.00 -2.08 0.03 0.00 -1.45 0.00 0.00 41.25 37.75 1jft s ASN 100 CO 0.00 -0.36 1.55 0.25 -3.72 0.00 0.00 177.10 174.83 1jft h LEU 101 N 8.49 -1.77 -0.48 3.21 5.85 -1.94 0.13 115.31 128.80 1jft h LEU 101 Ca -0.28 0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1jft h LEU 101 Cb 1.12 0.81 -0.04 0.00 0.37 0.00 0.00 40.66 42.92 1jft h LEU 101 CO 0.67 -0.29 0.25 -0.33 -0.34 0.00 0.00 178.44 178.40 1jft h GLU 102 N -0.11 0.48 -0.74 1.25 4.39 -1.94 0.48 114.58 118.38 1jft h GLU 102 Ca 0.20 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.93 1jft h GLU 102 Cb 0.52 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 1jft h GLU 102 CO -0.84 0.32 0.49 -0.22 -1.16 0.00 0.00 179.01 177.59 1jft h LYS 103 N 0.50 0.78 -0.13 2.33 1.63 -1.49 0.33 116.57 120.51 1jft h LYS 103 Ca 0.21 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.91 1jft h LYS 103 Cb 0.10 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1jft h LYS 103 CO -0.14 0.51 -0.11 1.96 -3.45 0.00 0.00 179.45 178.23 1jft h GLN 104 N 0.80 0.31 -0.67 1.90 4.20 0.10 -1.36 115.11 120.38 1jft h GLN 104 Ca 0.32 -0.15 0.06 0.00 0.06 0.00 0.00 58.65 58.93 1jft h GLN 104 Cb 0.23 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.95 1jft h GLN 104 CO -0.11 0.69 0.38 0.07 -0.67 0.00 0.00 178.83 179.19 1jft h ARG 105 N -0.07 0.67 0.33 1.46 0.11 0.11 0.11 114.38 117.11 1jft h ARG 105 Ca 0.02 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.05 1jft h ARG 105 Cb 0.62 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.55 1jft h ARG 105 CO 0.03 0.45 -0.16 0.00 0.10 0.00 0.00 179.97 180.39 1jft h ALA 106 N 1.35 -0.44 -0.69 0.08 0.00 -0.17 -2.09 119.26 117.30 1jft h ALA 106 Ca 0.30 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1jft h ALA 106 Cb 0.18 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1jft h ALA 106 CO -0.18 -0.72 0.43 1.88 0.00 0.00 0.00 179.25 180.66 1jft h TYR 107 N -0.50 0.88 0.13 0.00 0.05 -0.98 -0.04 116.97 116.52 1jft h TYR 107 Ca -0.04 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1jft h TYR 107 Cb 0.37 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.82 1jft h TYR 107 CO -0.04 0.58 -0.06 1.25 -1.05 0.00 0.00 178.16 178.84 1jft h LEU 108 N 0.94 -0.14 0.08 3.88 5.85 -0.87 0.35 115.31 125.40 1jft h LEU 108 Ca 0.25 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.93 1jft h LEU 108 Cb -0.06 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1jft h LEU 108 CO -0.05 -0.03 -0.22 -1.28 -0.34 0.00 0.00 178.44 176.52 1jft h SER 109 N -0.24 -0.63 -0.42 1.25 0.87 -0.78 -0.81 113.55 112.79 1jft h SER 109 Ca -0.02 0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.66 1jft h SER 109 Cb 0.20 0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 1jft h SER 109 CO 0.03 -0.30 0.28 0.24 -0.53 0.00 0.00 176.83 176.55 1jft h MET 110 N -0.39 0.39 -0.08 2.24 2.86 -0.93 -0.38 114.93 118.64 1jft h MET 110 Ca 0.04 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1jft h MET 110 Cb 0.43 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1jft h MET 110 CO -0.15 0.26 0.01 0.52 1.06 0.00 0.00 176.91 178.61 1jft h MET 111 N 0.40 0.13 -0.67 1.72 2.07 0.29 -0.86 114.93 118.01 1jft h MET 111 Ca 0.18 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.76 1jft h MET 111 Cb 0.20 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 29.89 1jft h MET 111 CO -0.04 0.36 0.36 0.00 1.07 0.00 0.00 176.91 178.65 1jft h ALA 112 N 0.77 0.86 -0.91 6.32 0.00 -0.66 -1.18 119.26 124.46 1jft h ALA 112 Ca 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1jft h ALA 112 Cb 0.29 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1jft h ALA 112 CO 0.00 0.39 0.52 1.96 0.00 0.00 0.00 179.25 182.13 1jft h GLN 113 N 0.92 1.25 0.00 0.00 4.20 -0.97 0.42 115.11 120.94 1jft h GLN 113 Ca 0.24 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1jft h GLN 113 Cb 0.06 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1jft h GLN 113 CO -0.04 0.90 0.00 1.63 -0.67 0.00 0.00 178.83 180.65 1jft n LYS 114 N -4.35 0.69 -3.41 1.46 5.02 -0.34 -4.91 118.16 112.32 1jft n LYS 114 Ca 0.10 0.01 -0.18 0.00 -2.02 0.00 0.00 58.31 56.21 1jft n LYS 114 Cb 0.08 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.63 1jft n LYS 114 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1jft n ARG 115 N -1.04 -1.58 -2.51 1.97 5.12 0.15 -4.93 116.66 113.84 1jft n ARG 115 Ca 0.17 0.86 -0.41 0.00 -1.93 0.00 0.00 57.85 56.54 1jft n ARG 115 Cb 0.09 -4.86 -0.04 0.00 -1.16 0.00 0.00 32.46 26.50 1jft n ARG 115 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1jft s VAL 116 N -3.29 3.76 0.52 1.55 -7.23 -1.17 -4.19 120.40 110.35 1jft s VAL 116 Ca 0.32 1.59 0.28 0.00 -1.81 0.00 0.00 61.98 62.36 1jft s VAL 116 Cb -0.08 -4.01 0.32 0.00 0.56 0.00 0.00 36.38 33.17 1jft s VAL 116 CO 0.80 0.31 2.18 0.44 -0.31 0.00 0.00 175.10 178.51 1jft h ASP 117 N 4.71 0.00 -5.01 4.85 3.32 -0.90 -3.45 116.42 119.94 1jft h ASP 117 Ca -0.45 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.69 1jft h ASP 117 Cb 1.21 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.66 1jft h ASP 117 CO 0.71 0.05 0.37 -0.83 -1.72 0.00 0.00 179.24 177.82 1jft s GLY 118 N -4.14 -0.35 -0.06 2.75 0.00 -1.24 -4.30 107.32 99.98 1jft s GLY 118 Ca -0.04 0.34 0.04 0.00 0.00 0.00 0.00 44.72 45.06 1jft s GLY 118 CO 0.57 0.10 -0.18 1.08 0.00 0.00 0.00 173.10 174.67 1jft s LEU 119 N -2.78 1.92 -0.25 0.66 1.43 0.13 -2.04 118.68 117.76 1jft s LEU 119 Ca 0.08 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 1jft s LEU 119 Cb -0.02 -1.06 0.01 0.00 0.03 0.00 0.00 46.19 45.14 1jft s LEU 119 CO -0.03 0.15 -0.01 -0.76 0.23 0.00 0.00 176.35 175.93 1jft s LEU 120 N 0.13 3.25 -0.21 1.79 1.02 -0.44 -1.11 118.68 123.11 1jft s LEU 120 Ca -0.07 -0.60 -0.06 0.00 0.02 0.00 0.00 54.13 53.42 1jft s LEU 120 Cb -0.13 -1.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.29 1jft s LEU 120 CO 0.03 -0.10 0.03 -0.69 0.02 0.00 0.00 176.35 175.65 1jft s VAL 121 N 1.45 4.26 -0.48 -1.59 1.01 -0.65 -0.81 120.40 123.59 1jft s VAL 121 Ca 0.03 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.88 1jft s VAL 121 Cb -0.16 -2.94 0.25 0.00 0.00 0.00 0.00 36.38 33.53 1jft s VAL 121 CO -0.02 0.41 0.60 0.80 0.00 0.00 0.00 175.10 176.90 1jft n MET 122 N 4.21 1.39 -0.06 2.72 1.56 -0.78 -1.41 117.12 124.75 1jft n MET 122 Ca -0.17 -3.76 0.12 0.00 -0.27 0.00 0.00 57.70 53.62 1jft n MET 122 Cb 0.52 -1.60 0.29 0.00 2.15 0.00 0.00 33.22 34.58 1jft n MET 122 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1jft n SER 124 N 0.86 0.00 -4.68 0.00 7.64 -1.26 -4.74 113.62 111.44 1jft n SER 124 Ca 0.17 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.70 1jft n SER 124 Cb 0.48 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.59 1jft n SER 124 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1jft s GLU 125 N 0.00 3.24 -0.71 1.43 2.02 -1.26 -4.43 118.70 118.99 1jft s GLU 125 Ca 0.00 -0.38 0.04 0.00 0.02 0.00 0.00 54.97 54.65 1jft s GLU 125 Cb 0.00 -2.91 0.24 0.00 0.10 0.00 0.00 34.13 31.56 1jft s GLU 125 CO 0.00 0.60 0.77 0.66 0.02 0.00 0.00 175.26 177.31 1jft n TYR 126 N 2.47 3.51 -1.54 1.61 4.02 -1.26 -5.03 117.16 120.93 1jft n TYR 126 Ca -0.18 -4.05 -0.33 0.00 -0.01 0.00 0.00 57.90 53.32 1jft n TYR 126 Cb 0.53 -0.67 0.08 0.00 -0.02 0.00 0.00 39.34 39.26 1jft n TYR 126 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1jft s PRO 127 N -2.25 2.39 0.21 -0.72 0.04 -1.26 -4.70 135.00 128.71 1jft s PRO 127 Ca 0.36 1.56 -0.16 0.00 0.04 0.00 0.00 61.00 62.80 1jft s PRO 127 Cb 0.09 -1.88 0.23 0.00 0.04 0.00 0.00 34.50 32.97 1jft s PRO 127 CO -0.04 -1.60 1.60 0.93 0.04 0.00 0.00 177.00 177.92 1jft h GLU 128 N -0.26 -0.06 -0.89 4.56 4.39 -1.99 0.13 114.58 120.46 1jft h GLU 128 Ca -0.47 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.39 1jft h GLU 128 Cb 1.27 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.84 1jft h GLU 128 CO 0.51 -0.04 0.49 -1.35 -1.16 0.00 0.00 179.01 177.46 1jft h PRO 129 N -0.07 0.68 -0.52 2.33 0.11 -1.99 0.35 132.00 132.89 1jft h PRO 129 Ca 0.30 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.32 1jft h PRO 129 Cb 0.55 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1jft h PRO 129 CO -0.74 0.45 0.13 1.25 -0.21 0.00 0.00 178.00 178.87 1jft h LEU 130 N 0.70 0.79 -0.66 2.35 6.46 -1.15 -1.96 115.31 121.84 1jft h LEU 130 Ca 0.48 -0.23 0.03 0.00 -0.12 0.00 0.00 57.88 58.04 1jft h LEU 130 Cb 0.67 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.35 1jft h LEU 130 CO -0.35 0.81 0.40 -0.07 -0.62 0.00 0.00 178.44 178.62 1jft h LEU 131 N 0.72 0.65 0.12 2.25 4.07 0.68 -2.55 115.31 121.25 1jft h LEU 131 Ca 0.16 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.14 1jft h LEU 131 Cb 0.33 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.90 1jft h LEU 131 CO 0.00 0.45 -0.49 0.00 -1.08 0.00 0.00 178.44 177.32 1jft h ALA 132 N 1.29 -0.97 -0.54 1.53 0.00 0.27 -1.81 119.26 119.03 1jft h ALA 132 Ca 0.27 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.17 1jft h ALA 132 Cb 0.04 0.87 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 1jft h ALA 132 CO -0.11 -1.09 0.08 0.52 0.00 0.00 0.00 179.25 178.64 1jft h MET 133 N -0.71 0.20 -0.65 0.00 2.86 -1.30 -1.65 114.93 113.68 1jft h MET 133 Ca -0.01 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.74 1jft h MET 133 Cb 0.71 -0.05 -0.09 0.00 0.06 0.00 0.00 31.60 32.24 1jft h MET 133 CO -0.27 0.13 0.20 -0.07 1.06 0.00 0.00 176.91 177.97 1jft h LEU 134 N 0.21 0.13 -0.98 1.22 3.38 -1.09 0.06 115.31 118.23 1jft h LEU 134 Ca 0.28 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.39 1jft h LEU 134 Cb 0.41 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 1jft h LEU 134 CO -0.39 0.06 0.64 -0.08 0.09 0.00 0.00 178.44 178.76 1jft h GLU 135 N 0.34 1.20 0.00 1.13 4.81 -0.45 0.12 114.58 121.74 1jft h GLU 135 Ca 0.34 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1jft h GLU 135 Cb 0.50 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1jft h GLU 135 CO -0.38 0.79 0.00 0.39 -0.73 0.00 0.00 179.01 179.08 1jft n GLU 136 N -4.46 0.01 -0.07 1.92 1.02 -0.00 0.22 120.64 119.27 1jft n GLU 136 Ca 0.13 0.25 0.09 0.00 -0.02 0.00 0.00 57.16 57.61 1jft n GLU 136 Cb 0.10 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.14 1jft n GLU 136 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1jft n TYR 137 N -1.25 0.00 0.23 -0.32 4.02 0.42 -4.71 117.16 115.54 1jft n TYR 137 Ca 0.00 -0.92 0.10 0.00 -0.01 0.00 0.00 57.90 57.07 1jft n TYR 137 Cb 0.00 -0.14 0.51 0.00 -0.02 0.00 0.00 39.34 39.70 1jft n TYR 137 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1jft h ARG 138 N 0.00 0.00 0.00 -0.72 0.11 -0.12 0.19 114.38 113.84 1jft h ARG 138 Ca 0.00 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 1jft h ARG 138 Cb 0.94 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.01 1jft h ARG 138 CO 0.00 0.00 -0.52 1.12 0.10 0.00 0.00 179.97 180.67 1jft h HIS 139 N 0.00 0.00 -3.41 4.08 2.07 -1.84 -3.41 115.15 112.64 1jft h HIS 139 Ca 0.00 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 56.97 1jft h HIS 139 Cb 0.63 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.57 1jft h HIS 139 CO 0.00 0.52 0.13 0.42 -3.07 0.00 0.00 177.93 175.92 1jft s ILE 140 N -3.70 4.72 0.16 6.12 1.09 0.68 -5.00 121.20 125.27 1jft s ILE 140 Ca -0.01 1.56 -0.31 0.00 -1.10 0.00 0.00 60.65 60.79 1jft s ILE 140 Cb 0.12 -4.08 -0.09 0.00 -1.06 0.00 0.00 42.46 37.36 1jft s ILE 140 CO 0.74 0.40 1.39 -2.16 -0.10 0.00 0.00 174.94 175.20 1jft s PRO 141 N -0.24 4.32 0.02 2.79 0.04 -1.26 -4.83 135.00 135.84 1jft s PRO 141 Ca 0.37 2.12 -0.15 0.00 0.04 0.00 0.00 61.00 63.38 1jft s PRO 141 Cb -0.20 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.16 1jft s PRO 141 CO 0.22 -0.39 0.33 0.00 0.04 0.00 0.00 177.00 177.20 1jft s MET 142 N 0.54 0.77 -0.07 4.56 0.23 -1.26 0.20 119.30 124.28 1jft s MET 142 Ca 0.62 -0.33 0.02 0.00 -1.03 0.00 0.00 55.69 54.97 1jft s MET 142 Cb -0.38 0.34 0.01 0.00 -1.53 0.00 0.00 34.83 33.27 1jft s MET 142 CO 0.34 -0.24 -0.12 0.54 -2.03 0.00 0.00 175.02 173.52 1jft s VAL 143 N -1.98 1.13 -0.15 5.16 0.11 -0.27 -1.87 120.40 122.54 1jft s VAL 143 Ca -0.09 -0.47 -0.22 0.00 -2.93 0.00 0.00 61.98 58.27 1jft s VAL 143 Cb -0.03 -1.04 -0.03 0.00 -1.53 0.00 0.00 36.38 33.76 1jft s VAL 143 CO 0.01 0.36 0.65 0.68 -3.33 0.00 0.00 175.10 173.46 1jft s VAL 144 N 0.71 5.03 -1.53 2.04 -7.23 -0.35 -1.63 120.40 117.44 1jft s VAL 144 Ca -0.14 1.27 0.24 0.00 -1.81 0.00 0.00 61.98 61.54 1jft s VAL 144 Cb -0.16 -3.97 0.07 0.00 0.56 0.00 0.00 36.38 32.88 1jft s VAL 144 CO 0.03 0.16 1.31 1.15 -0.31 0.00 0.00 175.10 177.45 1jft n MET 145 N 4.58 0.60 -2.44 4.82 0.00 -0.50 -2.82 117.12 121.36 1jft n MET 145 Ca -0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 57.70 57.24 1jft n MET 145 Cb 0.50 -1.49 0.05 0.00 0.00 0.00 0.00 33.22 32.28 1jft n MET 145 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1jft n ASP 146 N -0.83 1.99 -4.92 3.17 3.85 -1.26 -4.70 116.55 113.85 1jft n ASP 146 Ca 0.09 -2.34 -0.23 0.00 -0.71 0.00 0.00 54.79 51.60 1jft n ASP 146 Cb 0.37 -0.43 -0.00 0.00 -1.35 0.00 0.00 41.12 39.70 1jft n ASP 146 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1jft s ALA 147 N -3.19 4.35 0.00 2.12 0.00 -1.26 -4.51 121.76 119.27 1jft s ALA 147 Ca 0.32 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1jft s ALA 147 Cb 0.35 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1jft s ALA 147 CO -0.05 -0.45 0.69 0.41 0.00 0.00 0.00 175.76 176.37 1jft n GLY 148 N -1.77 -1.96 0.00 0.00 0.00 -1.26 -4.59 105.19 95.60 1jft n GLY 148 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1jft n GLY 148 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1jft n GLU 149 N -1.74 3.85 -3.31 1.61 0.00 -1.26 -4.70 120.64 115.09 1jft n GLU 149 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.73 1jft n GLU 149 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.36 1jft n GLU 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jft s ALA 150 N -2.34 3.43 0.09 -1.84 0.00 -1.26 -4.93 121.76 114.91 1jft s ALA 150 Ca 0.00 -1.54 -0.15 0.00 0.00 0.00 0.00 51.96 50.27 1jft s ALA 150 Cb 0.00 -3.08 -0.12 0.00 0.00 0.00 0.00 23.12 19.92 1jft s ALA 150 CO 0.00 -1.63 1.36 0.87 0.00 0.00 0.00 175.76 176.37 1jft h LYS 151 N 8.75 0.68 -6.19 0.00 6.56 -1.96 -3.45 116.57 120.96 1jft h LYS 151 Ca -0.26 -0.43 -0.54 0.00 -1.06 0.00 0.00 60.65 58.36 1jft h LYS 151 Cb 1.11 0.05 -0.08 0.00 -0.57 0.00 0.00 32.23 32.74 1jft h LYS 151 CO 0.81 1.05 -0.59 0.00 -2.06 0.00 0.00 179.45 178.65 1jft s ALA 152 N -4.11 3.34 -0.89 3.86 0.00 -1.26 -5.03 121.76 117.66 1jft s ALA 152 Ca -0.12 -1.59 0.17 0.00 0.00 0.00 0.00 51.96 50.42 1jft s ALA 152 Cb 0.08 -0.95 0.64 0.00 0.00 0.00 0.00 23.12 22.89 1jft s ALA 152 CO 0.84 0.24 1.55 -0.40 0.00 0.00 0.00 175.76 177.99 1jft n ASP 153 N -1.02 4.42 -0.28 0.00 5.75 -1.26 -4.17 116.55 120.00 1jft n ASP 153 Ca -0.07 -2.50 0.04 0.00 -0.01 0.00 0.00 54.79 52.25 1jft n ASP 153 Cb 0.59 -0.53 0.06 0.00 -1.03 0.00 0.00 41.12 40.20 1jft n ASP 153 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1jft n PHE 154 N 0.74 0.00 -4.00 2.11 1.16 -1.26 -4.77 117.46 111.44 1jft n PHE 154 Ca 0.23 -0.42 -0.10 0.00 -1.87 0.00 0.00 57.45 55.29 1jft n PHE 154 Cb 0.84 -0.09 -0.11 0.00 -1.61 0.00 0.00 39.48 38.52 1jft n PHE 154 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1jft s THR 155 N -1.20 0.20 0.55 1.97 -4.23 -1.26 -4.76 115.64 106.91 1jft s THR 155 Ca 0.13 -0.99 -0.12 0.00 -1.18 0.00 0.00 61.69 59.52 1jft s THR 155 Cb 0.11 -0.40 -0.05 0.00 1.34 0.00 0.00 72.50 73.50 1jft s THR 155 CO 0.01 -0.51 0.97 -1.81 -0.54 0.00 0.00 174.62 172.74 1jft s ASP 156 N -1.57 6.38 -0.02 3.99 1.01 -0.78 -4.54 116.67 121.15 1jft s ASP 156 Ca -0.14 1.39 -0.05 0.00 0.71 0.00 0.00 52.55 54.46 1jft s ASP 156 Cb -0.09 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1jft s ASP 156 CO -0.01 -0.71 0.12 0.00 0.21 0.00 0.00 175.17 174.78 1jft s ALA 157 N -2.89 -0.28 -0.11 5.23 0.00 -0.31 -1.21 121.76 122.18 1jft s ALA 157 Ca 0.55 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.57 1jft s ALA 157 Cb -0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1jft s ALA 157 CO 0.44 -0.14 -0.19 0.54 0.00 0.00 0.00 175.76 176.40 1jft s VAL 158 N -0.78 2.46 -0.16 0.00 0.11 -1.13 -1.01 120.40 119.90 1jft s VAL 158 Ca -0.09 -0.87 -0.05 0.00 -2.93 0.00 0.00 61.98 58.04 1jft s VAL 158 Cb -0.05 -1.99 -0.03 0.00 -1.53 0.00 0.00 36.38 32.78 1jft s VAL 158 CO 0.01 0.54 0.02 0.27 -3.33 0.00 0.00 175.10 172.61 1jft s ILE 159 N 0.36 4.40 -1.52 7.04 -5.25 -0.10 -4.48 121.20 121.65 1jft s ILE 159 Ca -0.15 -0.18 0.26 0.00 -0.99 0.00 0.00 60.65 59.59 1jft s ILE 159 Cb -0.17 -2.94 0.20 0.00 2.95 0.00 0.00 42.46 42.50 1jft s ILE 159 CO 0.07 0.50 1.54 -0.90 -1.79 0.00 0.00 174.94 174.36 1jft n ASP 160 N 3.30 0.83 -3.53 4.36 3.85 -1.26 -0.16 116.55 123.95 1jft n ASP 160 Ca -0.17 -0.67 -0.22 0.00 -0.71 0.00 0.00 54.79 53.02 1jft n ASP 160 Cb 0.53 0.15 0.08 0.00 -1.35 0.00 0.00 41.12 40.53 1jft n ASP 160 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1jft n ASN 161 N -0.92 -5.13 0.19 -1.12 3.02 -1.26 -4.38 115.26 105.65 1jft n ASN 161 Ca 0.10 -0.56 0.13 0.00 -0.03 0.00 0.00 54.58 54.22 1jft n ASN 161 Cb 0.34 -5.02 0.71 0.00 -0.61 0.00 0.00 39.78 35.20 1jft n ASN 161 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jft h ALA 162 N 0.98 2.04 -0.25 5.41 0.00 -1.92 -2.73 119.26 122.78 1jft h ALA 162 Ca -0.57 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 1jft h ALA 162 Cb 1.36 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1jft h ALA 162 CO 0.54 -0.20 -0.11 0.35 0.00 0.00 0.00 179.25 179.83 1jft h PHE 163 N 0.00 0.60 0.00 0.00 3.04 -1.89 -1.85 116.94 116.84 1jft h PHE 163 Ca 0.07 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 61.88 1jft h PHE 163 Cb 0.31 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.69 1jft h PHE 163 CO 0.00 0.77 0.00 -0.85 -2.02 0.00 0.00 178.31 176.21 1jft n GLU 164 N -4.49 0.09 0.10 1.11 0.28 -1.05 -2.00 120.64 114.68 1jft n GLU 164 Ca -0.04 0.17 -0.24 0.00 -0.16 0.00 0.00 57.16 56.90 1jft n GLU 164 Cb 0.34 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.56 1jft n GLU 164 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1jft h GLY 165 N 2.98 0.51 0.97 -1.84 0.00 -1.18 -2.82 103.07 101.69 1jft h GLY 165 Ca 0.00 -1.29 -0.03 0.00 0.00 0.00 0.00 47.33 46.00 1jft h GLY 165 CO 0.00 1.13 0.18 -1.33 0.00 0.00 0.00 176.54 176.52 1jft h GLY 166 N 0.52 0.83 1.01 4.60 0.00 -0.72 -2.44 103.07 106.86 1jft h GLY 166 Ca -0.32 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 1jft h GLY 166 CO 0.21 0.44 -0.19 -1.82 0.00 0.00 0.00 176.54 175.18 1jft h TYR 167 N 0.68 -0.49 -0.80 5.60 5.03 -1.23 -1.39 116.97 124.38 1jft h TYR 167 Ca 0.17 -0.01 0.17 0.00 2.58 0.00 0.00 58.73 61.64 1jft h TYR 167 Cb 0.23 0.16 -0.11 0.00 1.55 0.00 0.00 36.73 38.56 1jft h TYR 167 CO 0.01 -0.30 0.29 0.52 -1.32 0.00 0.00 178.16 177.36 1jft h MET 168 N -0.53 0.36 0.77 1.82 2.86 -1.33 0.15 114.93 119.03 1jft h MET 168 Ca -0.05 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 1jft h MET 168 Cb 0.40 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 31.99 1jft h MET 168 CO 0.09 0.24 -0.37 0.00 1.06 0.00 0.00 176.91 177.93 1jft h ALA 169 N 1.63 -1.03 -0.69 6.32 0.00 -0.95 -2.03 119.26 122.51 1jft h ALA 169 Ca 0.47 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 55.25 1jft h ALA 169 Cb 0.80 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1jft h ALA 169 CO -0.49 -1.02 0.29 0.78 0.00 0.00 0.00 179.25 178.81 1jft h GLY 170 N -1.14 1.01 0.38 0.00 0.00 -0.66 -2.05 103.07 100.62 1jft h GLY 170 Ca -0.11 -0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.13 1jft h GLY 170 CO 0.17 -0.01 -0.01 3.21 0.00 0.00 0.00 176.54 179.90 1jft h ARG 171 N 0.49 0.09 -0.61 4.80 2.47 -0.56 0.14 114.38 121.19 1jft h ARG 171 Ca 0.35 -0.01 0.07 0.00 -1.26 0.00 0.00 59.98 59.13 1jft h ARG 171 Cb 0.45 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.69 1jft h ARG 171 CO -0.32 0.06 0.30 -0.92 0.56 0.00 0.00 179.97 179.65 1jft h TYR 172 N 0.09 0.54 -0.15 3.04 5.03 -0.70 0.23 116.97 125.06 1jft h TYR 172 Ca 0.18 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.53 1jft h TYR 172 Cb 0.26 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.37 1jft h TYR 172 CO -0.27 0.23 0.06 -0.07 -1.32 0.00 0.00 178.16 176.80 1jft h LEU 173 N 0.55 0.09 0.21 2.82 3.38 -0.72 -0.74 115.31 120.91 1jft h LEU 173 Ca 0.28 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.27 1jft h LEU 173 Cb 0.24 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1jft h LEU 173 CO -0.21 0.07 -0.27 0.40 0.09 0.00 0.00 178.44 178.52 1jft h ILE 174 N 0.14 0.42 0.00 1.22 2.04 0.25 -0.80 117.51 120.78 1jft h ILE 174 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1jft h ILE 174 Cb 0.02 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1jft h ILE 174 CO -0.05 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.48 1jft n GLU 175 N -5.39 0.05 0.00 2.37 1.02 0.67 -0.97 120.64 118.40 1jft n GLU 175 Ca -0.08 0.55 0.12 0.00 -0.02 0.00 0.00 57.16 57.72 1jft n GLU 175 Cb 0.30 -1.66 0.13 0.00 -0.02 0.00 0.00 31.44 30.18 1jft n GLU 175 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jft n ARG 176 N -1.77 0.78 0.00 3.49 5.12 -0.31 -4.94 116.66 119.03 1jft n ARG 176 Ca -0.00 -0.58 0.00 0.00 -1.93 0.00 0.00 57.85 55.34 1jft n ARG 176 Cb 0.01 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.83 1jft n ARG 176 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jft n GLY 177 N 1.42 0.90 3.87 -0.13 0.00 -0.14 0.60 105.19 111.71 1jft n GLY 177 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1jft n GLY 177 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jft s HIS 178 N -2.00 3.54 0.00 1.61 3.76 -1.09 -0.54 115.29 120.56 1jft s HIS 178 Ca 0.00 0.82 0.00 0.00 -0.15 0.00 0.00 55.06 55.73 1jft s HIS 178 Cb 0.00 -2.19 0.00 0.00 1.11 0.00 0.00 32.58 31.50 1jft s HIS 178 CO 0.00 0.44 0.00 0.54 -0.85 0.00 0.00 174.74 174.87 1jft n ARG 179 N 0.54 0.00 -3.94 1.40 1.74 -1.26 -4.25 116.66 110.89 1jft n ARG 179 Ca -0.05 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.74 1jft n ARG 179 Cb 0.52 -0.28 -0.14 0.00 -1.02 0.00 0.00 32.46 31.55 1jft n ARG 179 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1jft s GLU 180 N 0.00 2.08 0.04 5.56 2.02 -1.26 -4.83 118.70 122.31 1jft s GLU 180 Ca 0.00 -2.78 0.08 0.00 0.02 0.00 0.00 54.97 52.28 1jft s GLU 180 Cb 0.00 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.86 1jft s GLU 180 CO 0.00 -1.15 -0.21 0.42 0.02 0.00 0.00 175.26 174.35 1jft s ILE 181 N -0.55 2.59 0.27 -1.63 1.01 -1.26 -0.06 121.20 121.57 1jft s ILE 181 Ca 0.19 -1.23 0.10 0.00 0.00 0.00 0.00 60.65 59.71 1jft s ILE 181 Cb -0.21 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 1jft s ILE 181 CO -0.04 0.36 -0.16 -0.83 0.00 0.00 0.00 174.94 174.28 1jft s GLY 182 N -1.33 1.79 0.01 6.18 0.00 0.41 -4.83 107.32 109.55 1jft s GLY 182 Ca 0.13 -1.85 0.01 0.00 0.00 0.00 0.00 44.72 43.02 1jft s GLY 182 CO 0.04 -1.90 -0.04 0.54 0.00 0.00 0.00 173.10 171.73 1jft s VAL 183 N -2.71 0.31 -0.60 1.40 0.11 -0.43 -0.09 120.40 118.39 1jft s VAL 183 Ca 0.28 -0.34 0.04 0.00 -2.93 0.00 0.00 61.98 59.03 1jft s VAL 183 Cb -0.02 -0.30 0.15 0.00 -1.53 0.00 0.00 36.38 34.68 1jft s VAL 183 CO 0.13 -0.03 0.37 -0.63 -3.33 0.00 0.00 175.10 171.61 1jft s ILE 184 N -0.37 2.66 0.77 7.04 1.01 -0.46 -1.62 121.20 130.24 1jft s ILE 184 Ca -0.01 -3.74 -0.11 0.00 0.00 0.00 0.00 60.65 56.79 1jft s ILE 184 Cb -0.03 -2.80 0.05 0.00 0.01 0.00 0.00 42.46 39.70 1jft s ILE 184 CO -0.00 -0.91 1.09 -2.16 0.00 0.00 0.00 174.94 172.96 1jft s PRO 185 N -0.81 2.29 0.67 2.79 0.04 -1.24 -0.53 135.00 138.20 1jft s PRO 185 Ca 0.21 0.69 -0.01 0.00 0.04 0.00 0.00 61.00 61.92 1jft s PRO 185 Cb -0.15 -1.94 0.13 0.00 0.04 0.00 0.00 34.50 32.58 1jft s PRO 185 CO -0.08 -1.49 0.92 0.41 0.04 0.00 0.00 177.00 176.79 1jft n GLY 186 N -2.13 0.52 3.65 0.56 0.00 -1.26 0.37 105.19 106.90 1jft n GLY 186 Ca 0.07 -2.00 -0.61 0.00 0.00 0.00 0.00 46.02 43.48 1jft n GLY 186 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jft n PRO 187 N -2.71 0.45 0.28 1.61 -0.02 -1.21 -4.50 135.00 128.90 1jft n PRO 187 Ca 0.15 0.17 0.19 0.00 -2.02 0.00 0.00 63.50 61.98 1jft n PRO 187 Cb 0.53 -1.73 0.86 0.00 -0.02 0.00 0.00 33.50 33.14 1jft n PRO 187 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1jft h LEU 188 N 4.89 0.00 0.00 2.45 3.38 -1.90 -1.67 115.31 122.46 1jft h LEU 188 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1jft h LEU 188 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1jft h LEU 188 CO 0.85 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.76 1jft n GLU 189 N -2.96 0.41 -4.26 1.13 4.71 -1.26 -3.98 120.64 114.43 1jft n GLU 189 Ca -0.01 0.05 -0.24 0.00 -0.01 0.00 0.00 57.16 56.95 1jft n GLU 189 Cb 0.20 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 29.05 1jft n GLU 189 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1jft s ARG 190 N -2.49 2.33 0.06 3.49 0.52 -0.63 -4.60 118.95 117.64 1jft s ARG 190 Ca 0.25 -1.30 -0.35 0.00 -0.52 0.00 0.00 55.73 53.82 1jft s ARG 190 Cb 0.17 -2.23 -0.20 0.00 0.52 0.00 0.00 34.95 33.20 1jft s ARG 190 CO 0.36 0.40 1.55 -0.97 0.02 0.00 0.00 175.30 176.66 1jft h ASN 191 N 2.21 -0.98 0.01 0.23 -1.24 -1.79 -1.21 115.58 112.81 1jft h ASN 191 Ca -0.46 0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.59 1jft h ASN 191 Cb 1.23 0.25 0.00 0.00 0.73 0.00 0.00 38.32 40.53 1jft h ASN 191 CO 0.59 -0.68 0.00 0.35 -1.29 0.00 0.00 177.43 176.39 1jft n THR 192 N -5.58 0.93 0.00 -3.57 -2.24 -1.26 0.09 114.28 102.64 1jft n THR 192 Ca -0.15 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1jft n THR 192 Cb 0.46 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 1jft n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jft n GLY 193 N -1.17 0.28 0.35 3.38 0.00 -0.56 -4.30 105.19 103.16 1jft n GLY 193 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1jft n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jft h ALA 194 N -2.00 1.87 0.69 4.61 0.00 -1.31 -2.65 119.26 120.47 1jft h ALA 194 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1jft h ALA 194 Cb 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1jft h ALA 194 CO 0.00 0.02 -0.34 0.78 0.00 0.00 0.00 179.25 179.70 1jft h GLY 195 N 0.54 -0.99 0.93 0.00 0.00 -0.49 -1.51 103.07 101.56 1jft h GLY 195 Ca 0.27 0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.99 1jft h GLY 195 CO -0.08 -0.36 0.45 3.21 0.00 0.00 0.00 176.54 179.76 1jft h ARG 196 N -0.94 0.88 -0.57 4.80 3.08 -1.57 -2.38 114.38 117.67 1jft h ARG 196 Ca -0.09 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 59.94 1jft h ARG 196 Cb 0.73 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 1jft h ARG 196 CO 0.15 0.58 0.33 1.25 -1.07 0.00 0.00 179.97 181.21 1jft h LEU 197 N 0.90 0.51 -0.62 3.04 5.85 -1.37 -2.34 115.31 121.28 1jft h LEU 197 Ca 0.27 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.86 1jft h LEU 197 Cb -0.04 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1jft h LEU 197 CO -0.08 0.35 -0.52 0.00 -0.34 0.00 0.00 178.44 177.85 1jft h ALA 198 N 1.27 0.80 -0.59 1.25 0.00 -1.01 0.96 119.26 121.94 1jft h ALA 198 Ca 0.24 -0.49 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1jft h ALA 198 Cb 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1jft h ALA 198 CO -0.12 0.68 0.34 0.78 0.00 0.00 0.00 179.25 180.93 1jft h GLY 199 N 1.17 0.84 0.88 0.00 0.00 -1.11 -1.59 103.07 103.26 1jft h GLY 199 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1jft h GLY 199 CO 0.09 0.20 0.07 -2.75 0.00 0.00 0.00 176.54 174.15 1jft h PHE 200 N 0.67 0.29 0.00 5.60 3.57 -1.16 -2.82 116.94 123.09 1jft h PHE 200 Ca 0.24 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 1jft h PHE 200 Cb 0.06 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1jft h PHE 200 CO -0.07 0.35 -0.28 1.98 -2.23 0.00 0.00 178.31 178.06 1jft h MET 201 N 0.14 0.00 -0.00 1.11 4.05 -0.36 -2.61 114.93 117.26 1jft h MET 201 Ca 0.06 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1jft h MET 201 Cb 0.19 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.99 1jft h MET 201 CO -0.00 0.28 0.00 -0.22 0.23 0.00 0.00 176.91 177.20 1jft h LYS 202 N 0.00 0.00 -0.70 0.39 1.63 -1.09 0.08 116.57 116.88 1jft h LYS 202 Ca -0.00 -0.00 0.13 0.00 -0.85 0.00 0.00 60.65 59.93 1jft h LYS 202 Cb 0.53 -0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.06 1jft h LYS 202 CO 0.04 0.03 0.23 0.00 -3.45 0.00 0.00 179.45 176.30 1jft h ALA 203 N 0.97 0.93 0.39 5.00 0.00 -1.38 -0.21 119.26 124.96 1jft h ALA 203 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1jft h ALA 203 Cb 0.03 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1jft h ALA 203 CO -0.00 -0.25 -0.30 0.52 0.00 0.00 0.00 179.25 179.22 1jft h MET 204 N 0.37 -0.66 -0.78 0.00 2.86 -0.98 -1.77 114.93 113.97 1jft h MET 204 Ca 0.38 0.04 0.14 0.00 -2.06 0.00 0.00 59.70 58.20 1jft h MET 204 Cb 0.58 0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.34 1jft h MET 204 CO -0.41 -0.44 0.51 0.93 1.06 0.00 0.00 176.91 178.56 1jft h GLU 205 N -0.68 0.51 -0.52 1.72 5.08 -0.30 0.41 114.58 120.80 1jft h GLU 205 Ca -0.03 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1jft h GLU 205 Cb 0.59 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1jft h GLU 205 CO -0.00 0.34 0.18 0.93 -1.00 0.00 0.00 179.01 179.46 1jft h GLU 206 N 0.53 0.77 -0.28 2.33 5.08 -0.23 -2.19 114.58 120.58 1jft h GLU 206 Ca 0.38 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1jft h GLU 206 Cb 0.73 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1jft h GLU 206 CO -0.14 0.65 0.00 0.00 -1.00 0.00 0.00 179.01 178.52 1jft n ALA 207 N -2.46 2.48 -2.55 3.43 0.00 0.13 -4.91 120.51 116.63 1jft n ALA 207 Ca 0.04 -0.66 -0.19 0.00 0.00 0.00 0.00 53.44 52.63 1jft n ALA 207 Cb 0.18 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.62 1jft n ALA 207 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1jft n MET 208 N 0.63 -2.44 -3.64 0.00 2.81 -0.31 -4.96 117.12 109.21 1jft n MET 208 Ca 0.16 0.85 -0.36 0.00 -1.81 0.00 0.00 57.70 56.54 1jft n MET 208 Cb 0.38 -5.39 -0.07 0.00 -0.71 0.00 0.00 33.22 27.43 1jft n MET 208 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1jft s ILE 209 N -2.97 5.34 -0.15 2.02 1.01 -0.79 -5.01 121.20 120.66 1jft s ILE 209 Ca 0.09 0.42 -0.05 0.00 0.00 0.00 0.00 60.65 61.11 1jft s ILE 209 Cb -0.04 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 1jft s ILE 209 CO 0.11 0.46 0.02 -0.54 0.00 0.00 0.00 174.94 174.99 1jft s LYS 210 N 0.07 3.60 -0.33 2.79 3.01 -1.26 -4.25 119.74 123.38 1jft s LYS 210 Ca 0.14 -0.40 -0.07 0.00 -1.01 0.00 0.00 55.97 54.64 1jft s LYS 210 Cb -0.13 -3.01 0.03 0.00 -1.01 0.00 0.00 37.83 33.72 1jft s LYS 210 CO 0.03 0.40 0.10 0.08 0.51 0.00 0.00 175.35 176.47 1jft s VAL 211 N -0.03 3.82 0.31 3.17 1.01 -1.26 -4.92 120.40 122.50 1jft s VAL 211 Ca 0.04 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.69 1jft s VAL 211 Cb -0.13 -3.12 -0.11 0.00 0.00 0.00 0.00 36.38 33.02 1jft s VAL 211 CO 0.02 -0.13 1.47 -2.16 0.00 0.00 0.00 175.10 174.30 1jft s PRO 212 N 1.42 4.20 0.60 2.72 0.05 -1.26 -4.88 135.00 137.86 1jft s PRO 212 Ca -0.01 2.43 0.38 0.00 0.05 0.00 0.00 61.00 63.85 1jft s PRO 212 Cb -0.19 -3.04 2.05 0.00 0.05 0.00 0.00 34.50 33.37 1jft s PRO 212 CO 0.03 -0.46 2.15 1.05 0.05 0.00 0.00 177.00 179.81 1jft h GLU 213 N 4.10 0.00 0.00 4.56 -0.00 -1.97 0.43 114.58 121.71 1jft h GLU 213 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 1jft h GLU 213 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.98 1jft h GLU 213 CO 0.72 0.00 0.00 -1.13 -0.00 0.00 0.00 179.01 178.60 1jft n SER 214 N -2.88 0.00 -0.77 3.06 3.41 -1.26 -2.42 113.62 112.76 1jft n SER 214 Ca -0.03 0.26 0.07 0.00 -0.26 0.00 0.00 58.87 58.91 1jft n SER 214 Cb 0.13 -0.40 0.20 0.00 -0.26 0.00 0.00 64.21 63.88 1jft n SER 214 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1jft n TRP 215 N -1.40 0.66 -4.00 7.33 7.02 0.15 -4.79 117.44 122.42 1jft n TRP 215 Ca 0.07 -0.61 -0.31 0.00 -1.02 0.00 0.00 57.50 55.62 1jft n TRP 215 Cb 0.19 -0.12 -0.15 0.00 -2.42 0.00 0.00 31.31 28.80 1jft n TRP 215 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1jft s ILE 216 N -1.56 1.95 -0.14 -0.99 1.01 -1.02 -1.32 121.20 119.13 1jft s ILE 216 Ca 0.30 -1.74 0.01 0.00 0.00 0.00 0.00 60.65 59.23 1jft s ILE 216 Cb 0.20 -2.24 0.02 0.00 0.01 0.00 0.00 42.46 40.44 1jft s ILE 216 CO 0.14 -0.28 -0.18 -0.69 0.00 0.00 0.00 174.94 173.94 1jft s VAL 217 N 1.15 1.75 0.14 2.92 1.01 -0.64 -5.00 120.40 121.74 1jft s VAL 217 Ca -0.00 -0.78 -0.31 0.00 0.00 0.00 0.00 61.98 60.89 1jft s VAL 217 Cb -0.19 -1.59 -0.09 0.00 0.00 0.00 0.00 36.38 34.51 1jft s VAL 217 CO -0.08 0.49 1.49 -1.58 0.00 0.00 0.00 175.10 175.42 1jft s GLN 218 N 1.10 4.26 0.41 2.72 2.00 -1.26 -3.72 119.66 125.18 1jft s GLN 218 Ca -0.02 2.23 0.04 0.00 -2.00 0.00 0.00 55.36 55.61 1jft s GLN 218 Cb -0.14 -3.19 0.04 0.00 0.80 0.00 0.00 33.01 30.51 1jft s GLN 218 CO -0.06 -0.53 0.34 0.41 -0.50 0.00 0.00 175.29 174.95 1jft n GLY 219 N 3.60 2.74 0.33 2.59 0.00 0.16 -4.94 105.19 109.68 1jft n GLY 219 Ca 0.13 -2.26 0.01 0.00 0.00 0.00 0.00 46.02 43.89 1jft n GLY 219 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jft n ASP 220 N -1.93 0.27 0.00 1.61 3.85 -1.26 -3.33 116.55 115.76 1jft n ASP 220 Ca -0.00 -1.87 0.00 0.00 -0.71 0.00 0.00 54.79 52.21 1jft n ASP 220 Cb 0.47 -0.17 0.00 0.00 -1.35 0.00 0.00 41.12 40.07 1jft n ASP 220 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 1jft n PHE 221 N -0.15 0.00 -4.15 2.11 3.72 -1.26 -4.86 117.46 112.87 1jft n PHE 221 Ca 0.01 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.07 1jft n PHE 221 Cb 0.63 -0.33 -0.10 0.00 -0.94 0.00 0.00 39.48 38.75 1jft n PHE 221 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1jft s GLU 222 N -0.21 3.62 0.37 -1.08 0.41 -1.26 -4.14 118.70 116.40 1jft s GLU 222 Ca 0.00 -0.36 0.19 0.00 -0.41 0.00 0.00 54.97 54.39 1jft s GLU 222 Cb 0.00 -3.06 1.25 0.00 -1.78 0.00 0.00 34.13 30.54 1jft s GLU 222 CO 0.00 0.43 1.62 -1.35 -0.49 0.00 0.00 175.26 175.47 1jft h PRO 223 N 6.12 0.15 -0.55 0.39 0.11 -1.85 0.57 132.00 136.93 1jft h PRO 223 Ca -0.41 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.72 1jft h PRO 223 Cb 1.18 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1jft h PRO 223 CO 0.64 0.10 0.32 1.49 -0.21 0.00 0.00 178.00 180.34 1jft h GLU 224 N 0.15 0.60 -0.29 1.05 4.57 -1.91 0.47 114.58 119.24 1jft h GLU 224 Ca 0.80 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.91 1jft h GLU 224 Cb 2.04 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 30.48 1jft h GLU 224 CO -0.66 0.40 0.04 0.66 -1.18 0.00 0.00 179.01 178.28 1jft h SER 225 N 0.62 0.38 0.04 1.04 4.64 -0.23 0.28 113.55 120.33 1jft h SER 225 Ca 0.23 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1jft h SER 225 Cb 0.07 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1jft h SER 225 CO -0.12 0.41 -0.02 1.23 -0.87 0.00 0.00 176.83 177.46 1jft h GLY 226 N 0.67 -0.06 -0.06 -0.77 0.00 -0.71 -1.38 103.07 100.75 1jft h GLY 226 Ca 0.10 0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.50 1jft h GLY 226 CO 0.00 -0.02 -0.39 -1.82 0.00 0.00 0.00 176.54 174.30 1jft h TYR 227 N -0.57 -1.13 -0.89 5.60 5.03 0.72 -1.13 116.97 124.61 1jft h TYR 227 Ca -0.01 0.05 0.06 0.00 2.58 0.00 0.00 58.73 61.41 1jft h TYR 227 Cb 0.51 0.53 -0.06 0.00 1.55 0.00 0.00 36.73 39.25 1jft h TYR 227 CO 0.09 -0.44 0.56 0.00 -1.32 0.00 0.00 178.16 177.05 1jft h ARG 228 N -0.41 1.01 -0.13 1.82 -0.00 -0.47 -2.77 114.38 113.44 1jft h ARG 228 Ca 0.11 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.98 59.49 1jft h ARG 228 Cb 0.59 -0.23 -0.00 0.00 0.00 0.00 0.00 29.97 30.33 1jft h ARG 228 CO -0.45 0.67 -0.04 0.00 0.00 0.00 0.00 179.97 180.15 1jft h ALA 229 N 1.40 0.19 -1.00 0.04 0.00 -0.62 -2.20 119.26 117.06 1jft h ALA 229 Ca 0.38 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 55.22 1jft h ALA 229 Cb 0.13 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 1jft h ALA 229 CO -0.16 -0.05 0.62 1.98 0.00 0.00 0.00 179.25 181.64 1jft h MET 230 N -0.06 0.80 0.01 0.00 -1.53 -1.09 0.37 114.93 113.43 1jft h MET 230 Ca 0.03 -0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.24 1jft h MET 230 Cb 0.48 -0.18 0.00 0.00 -0.55 0.00 0.00 31.60 31.35 1jft h MET 230 CO 0.02 0.53 -0.00 0.37 0.14 0.00 0.00 176.91 177.96 1jft h GLN 231 N 0.82 -0.01 -0.19 0.39 4.15 -1.32 -0.27 115.11 118.68 1jft h GLN 231 Ca 0.55 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.94 1jft h GLN 231 Cb 0.78 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 1jft h GLN 231 CO -0.34 0.01 -0.01 1.96 -1.93 0.00 0.00 178.83 178.52 1jft h GLN 232 N -0.03 0.28 -0.03 1.69 4.20 -0.37 -1.05 115.11 119.80 1jft h GLN 232 Ca -0.00 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1jft h GLN 232 Cb 0.03 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1jft h GLN 232 CO 0.00 0.32 -0.05 0.82 -0.67 0.00 0.00 178.83 179.25 1jft h ILE 233 N 0.28 1.42 -0.05 2.54 2.04 -0.41 -3.21 117.51 120.12 1jft h ILE 233 Ca 0.07 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1jft h ILE 233 Cb 0.22 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1jft h ILE 233 CO 0.01 0.36 0.00 0.18 0.00 0.00 0.00 178.15 178.69 1jft n LEU 234 N -4.74 0.60 -0.31 1.44 4.77 -0.17 -3.43 117.00 115.15 1jft n LEU 234 Ca -0.08 -0.24 0.13 0.00 -0.03 0.00 0.00 56.01 55.79 1jft n LEU 234 Cb 0.31 -0.03 0.34 0.00 -2.33 0.00 0.00 43.42 41.72 1jft n LEU 234 CO 0.35 0.12 0.63 -1.20 -1.33 0.00 0.00 177.39 175.97 1jft n SER 235 N -0.43 1.21 -4.87 -1.43 7.64 -0.41 -4.92 113.62 110.41 1jft n SER 235 Ca 0.17 -1.03 -0.31 0.00 1.01 0.00 0.00 58.87 58.71 1jft n SER 235 Cb 0.17 0.16 -0.04 0.00 -1.01 0.00 0.00 64.21 63.49 1jft n SER 235 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1jft s GLN 236 N -2.44 3.81 0.07 1.43 -0.21 -1.22 -5.00 119.66 116.10 1jft s GLN 236 Ca 0.25 0.42 -0.25 0.00 0.02 0.00 0.00 55.36 55.79 1jft s GLN 236 Cb 0.19 -2.47 -0.11 0.00 1.00 0.00 0.00 33.01 31.62 1jft s GLN 236 CO 0.51 0.09 1.40 -1.00 -2.12 0.00 0.00 175.29 174.17 1jft h PRO 237 N 1.72 -0.56 -5.55 2.91 0.13 -1.91 -3.37 132.00 125.37 1jft h PRO 237 Ca -0.47 0.04 -0.60 0.00 -0.87 0.00 0.00 66.00 64.10 1jft h PRO 237 Cb 1.18 0.13 -0.10 0.00 0.13 0.00 0.00 31.00 32.34 1jft h PRO 237 CO 0.65 -0.37 -0.07 -1.58 -0.23 0.00 0.00 178.00 176.40 1jft s HIS 238 N -5.02 3.39 0.03 1.56 5.65 -1.26 -5.07 115.29 114.56 1jft s HIS 238 Ca -0.12 0.77 0.05 0.00 0.25 0.00 0.00 55.06 56.01 1jft s HIS 238 Cb 0.04 -2.64 -0.02 0.00 -1.18 0.00 0.00 32.58 28.78 1jft s HIS 238 CO 0.44 -0.06 -0.14 -0.98 -0.65 0.00 0.00 174.74 173.35 1jft s ARG 239 N 1.49 0.95 0.93 2.88 1.70 -1.26 -5.02 118.95 120.63 1jft s ARG 239 Ca 0.24 -0.68 -0.10 0.00 -0.47 0.00 0.00 55.73 54.71 1jft s ARG 239 Cb -0.15 -0.94 0.15 0.00 -0.57 0.00 0.00 34.95 33.43 1jft s ARG 239 CO 0.10 0.24 1.10 -0.35 -1.08 0.00 0.00 175.30 175.31 1jft n PRO 240 N 2.11 -0.56 0.00 3.89 -0.04 -1.26 -4.95 135.00 134.19 1jft n PRO 240 Ca -0.17 -0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.30 1jft n PRO 240 Cb 0.55 -2.34 -0.12 0.00 -0.04 0.00 0.00 33.50 31.55 1jft n PRO 240 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1jft n THR 241 N -4.27 0.05 -3.77 0.52 -2.24 0.92 -4.93 114.28 100.55 1jft n THR 241 Ca 0.11 -0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 1jft n THR 241 Cb 0.52 0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 68.98 1jft n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jft s ALA 242 N -3.31 -0.71 -0.05 6.98 0.00 -0.79 -2.48 121.76 121.40 1jft s ALA 242 Ca -0.01 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1jft s ALA 242 Cb 0.14 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.41 1jft s ALA 242 CO 0.88 -0.28 -0.05 0.08 0.00 0.00 0.00 175.76 176.38 1jft s VAL 243 N -1.59 0.59 -0.35 0.00 1.01 0.61 -0.44 120.40 120.24 1jft s VAL 243 Ca -0.12 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1jft s VAL 243 Cb -0.05 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 1jft s VAL 243 CO 0.02 0.24 0.34 0.12 0.00 0.00 0.00 175.10 175.82 1jft s PHE 244 N 0.88 3.21 -0.29 5.22 5.36 0.87 -0.14 117.98 133.10 1jft s PHE 244 Ca -0.12 -0.10 -0.08 0.00 -0.96 0.00 0.00 56.93 55.67 1jft s PHE 244 Cb -0.14 -2.64 -0.01 0.00 -0.34 0.00 0.00 43.02 39.88 1jft s PHE 244 CO 0.00 -0.44 0.11 0.00 -1.46 0.00 0.00 175.22 173.44 1jft h GLY 246 N 8.29 0.00 -5.04 0.00 0.00 -1.10 -3.14 103.07 102.08 1jft h GLY 246 Ca -0.34 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1jft h GLY 246 CO 0.60 0.00 0.07 -0.32 0.00 0.00 0.00 176.54 176.89 1jft s GLY 247 N -3.32 -0.52 0.17 4.60 0.00 -1.25 -4.53 107.32 102.47 1jft s GLY 247 Ca -0.02 1.95 -0.20 0.00 0.00 0.00 0.00 44.72 46.45 1jft s GLY 247 CO 0.20 1.71 1.63 -0.55 0.00 0.00 0.00 173.10 176.09 1jft h ASP 248 N 5.25 -0.76 -0.73 1.64 3.45 -1.38 0.99 116.42 124.88 1jft h ASP 248 Ca -0.29 0.16 0.07 0.00 0.43 0.00 0.00 57.03 57.40 1jft h ASP 248 Cb 1.17 0.39 -0.05 0.00 -0.56 0.00 0.00 39.33 40.29 1jft h ASP 248 CO 0.09 -0.25 0.48 0.40 -1.57 0.00 0.00 179.24 178.38 1jft h ILE 249 N -0.16 1.01 -0.42 0.35 1.08 -1.87 0.46 117.51 117.95 1jft h ILE 249 Ca 0.19 -0.26 -0.13 0.00 -0.39 0.00 0.00 64.86 64.27 1jft h ILE 249 Cb 0.46 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 1jft h ILE 249 CO -0.49 0.14 -0.25 0.24 -0.69 0.00 0.00 178.15 177.10 1jft h MET 250 N 0.75 0.88 -0.17 2.37 2.86 -1.33 -2.59 114.93 117.69 1jft h MET 250 Ca 0.32 -0.38 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1jft h MET 250 Cb 0.29 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1jft h MET 250 CO -0.11 1.03 -0.16 0.00 1.06 0.00 0.00 176.91 178.72 1jft h ALA 251 N 0.96 1.42 -0.22 6.32 0.00 0.19 0.11 119.26 128.05 1jft h ALA 251 Ca 0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1jft h ALA 251 Cb 0.80 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1jft h ALA 251 CO 0.07 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1jft h MET 252 N 0.26 0.31 -0.44 0.00 3.00 0.10 0.11 114.93 118.27 1jft h MET 252 Ca 0.05 -0.05 -0.14 0.00 0.00 0.00 0.00 59.70 59.56 1jft h MET 252 Cb 0.44 -0.05 -0.01 0.00 0.00 0.00 0.00 31.60 31.98 1jft h MET 252 CO 0.03 0.34 -0.29 0.78 0.00 0.00 0.00 176.91 177.78 1jft h GLY 253 N 0.60 1.05 1.02 -3.00 0.00 -0.63 -2.93 103.07 99.18 1jft h GLY 253 Ca 0.07 -0.98 -0.00 0.00 0.00 0.00 0.00 47.33 46.42 1jft h GLY 253 CO 0.00 0.89 0.58 0.00 0.00 0.00 0.00 176.54 178.01 1jft h ALA 254 N 0.85 1.19 0.14 3.60 0.00 -0.14 -2.62 119.26 122.29 1jft h ALA 254 Ca 0.09 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jft h ALA 254 Cb 0.87 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1jft h ALA 254 CO 0.08 0.63 -0.19 -0.07 0.00 0.00 0.00 179.25 179.70 1jft h LEU 255 N 1.28 -0.51 -0.39 0.00 4.07 -0.70 -2.50 115.31 116.55 1jft h LEU 255 Ca 0.34 0.06 0.07 0.00 0.08 0.00 0.00 57.88 58.42 1jft h LEU 255 Cb -0.08 0.19 -0.09 0.00 1.08 0.00 0.00 40.66 41.76 1jft h LEU 255 CO -0.07 -0.27 -0.39 0.00 -1.08 0.00 0.00 178.44 176.63 1jft h ALA 257 N 0.53 0.20 0.10 0.00 0.00 -1.43 0.16 119.26 118.82 1jft h ALA 257 Ca 0.15 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1jft h ALA 257 Cb 0.57 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1jft h ALA 257 CO -0.55 -0.46 -0.42 0.00 0.00 0.00 0.00 179.25 177.82 1jft h ALA 258 N 1.29 -0.73 -0.88 0.00 0.00 -0.91 -0.17 119.26 117.87 1jft h ALA 258 Ca 0.14 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.15 1jft h ALA 258 Cb 0.21 0.70 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 1jft h ALA 258 CO -0.29 -0.98 0.57 0.22 0.00 0.00 0.00 179.25 178.77 1jft h ASP 259 N -0.64 0.51 1.00 0.00 1.82 -0.58 0.12 116.42 118.66 1jft h ASP 259 Ca 0.02 0.04 -0.07 0.00 -0.39 0.00 0.00 57.03 56.63 1jft h ASP 259 Cb 0.67 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 1jft h ASP 259 CO -0.25 0.23 -0.35 -0.33 -1.61 0.00 0.00 179.24 176.93 1jft h GLU 260 N 0.52 0.00 -0.72 0.28 5.08 0.10 -2.23 114.58 117.61 1jft h GLU 260 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1jft h GLU 260 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1jft h GLU 260 CO -0.19 0.35 0.00 -1.33 -1.00 0.00 0.00 179.01 176.84 1jft n MET 261 N -3.43 3.58 -0.79 2.33 2.81 0.31 -4.88 117.12 117.06 1jft n MET 261 Ca 0.00 -2.09 0.00 0.00 -1.81 0.00 0.00 57.70 53.80 1jft n MET 261 Cb 0.53 -2.01 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 1jft n MET 261 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jft n GLY 262 N 0.42 0.37 3.77 3.03 0.00 -0.84 -4.98 105.19 106.96 1jft n GLY 262 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1jft n GLY 262 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jft s LEU 263 N 0.00 3.16 -0.11 0.99 1.02 -0.50 -4.95 118.68 118.29 1jft s LEU 263 Ca 0.00 1.89 0.02 0.00 0.02 0.00 0.00 54.13 56.06 1jft s LEU 263 Cb 0.00 -4.53 -0.01 0.00 0.02 0.00 0.00 46.19 41.67 1jft s LEU 263 CO 0.00 -1.90 -0.18 -0.60 0.02 0.00 0.00 176.35 173.69 1jft s ARG 264 N -4.60 3.15 -0.20 1.70 3.00 -1.26 -4.12 118.95 116.61 1jft s ARG 264 Ca 0.63 -0.78 -0.04 0.00 -1.00 0.00 0.00 55.73 54.55 1jft s ARG 264 Cb -0.18 -2.46 -0.01 0.00 0.00 0.00 0.00 34.95 32.30 1jft s ARG 264 CO 0.51 0.23 -0.05 0.08 0.00 0.00 0.00 175.30 176.08 1jft s VAL 265 N 0.25 3.46 -1.73 7.11 1.01 -1.26 0.94 120.40 130.18 1jft s VAL 265 Ca -0.12 -0.48 0.19 0.00 0.00 0.00 0.00 61.98 61.57 1jft s VAL 265 Cb -0.16 -2.55 0.53 0.00 0.00 0.00 0.00 36.38 34.19 1jft s VAL 265 CO 0.07 0.44 1.44 -0.81 0.00 0.00 0.00 175.10 176.24 1jft n PRO 266 N 4.50 2.72 -0.31 2.72 -0.04 -1.26 -4.58 135.00 138.74 1jft n PRO 266 Ca -0.18 -2.45 0.21 0.00 -0.04 0.00 0.00 63.50 61.04 1jft n PRO 266 Cb 0.51 -1.48 0.48 0.00 -0.04 0.00 0.00 33.50 32.98 1jft n PRO 266 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1jft h GLN 267 N 3.69 0.43 0.00 0.54 7.50 -1.84 -2.87 115.11 122.56 1jft h GLN 267 Ca 0.00 -0.03 -0.36 0.00 0.50 0.00 0.00 58.65 58.76 1jft h GLN 267 Cb 0.92 -0.10 -0.07 0.00 0.05 0.00 0.00 27.48 28.28 1jft h GLN 267 CO 0.00 0.28 -2.38 -0.25 -1.50 0.00 0.00 178.83 174.99 1jft n ASP 268 N -4.63 1.41 -3.71 1.46 8.00 0.27 -4.97 116.55 114.38 1jft n ASP 268 Ca 0.24 -0.08 -0.11 0.00 0.71 0.00 0.00 54.79 55.54 1jft n ASP 268 Cb 0.81 0.11 -0.12 0.00 -0.02 0.00 0.00 41.12 41.90 1jft n ASP 268 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1jft s VAL 269 N -2.48 -0.05 0.10 2.53 -7.23 -0.87 -4.88 120.40 107.52 1jft s VAL 269 Ca -0.25 0.12 -0.17 0.00 -1.81 0.00 0.00 61.98 59.88 1jft s VAL 269 Cb 0.08 -0.51 -0.07 0.00 0.56 0.00 0.00 36.38 36.44 1jft s VAL 269 CO 0.65 0.05 0.55 -0.44 -0.31 0.00 0.00 175.10 175.60 1jft s SER 270 N 1.38 6.94 -0.04 4.85 0.01 -1.04 -4.20 113.70 121.61 1jft s SER 270 Ca -0.09 1.16 0.01 0.00 1.31 0.00 0.00 55.95 58.34 1jft s SER 270 Cb -0.09 -2.32 0.02 0.00 0.21 0.00 0.00 66.02 63.84 1jft s SER 270 CO -0.11 0.21 -0.05 -0.22 0.41 0.00 0.00 173.24 173.48 1jft s LEU 271 N -1.47 1.42 -0.05 2.44 2.96 0.27 -0.28 118.68 123.97 1jft s LEU 271 Ca 0.32 -0.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 1jft s LEU 271 Cb -0.17 -0.43 -0.00 0.00 0.50 0.00 0.00 46.19 46.09 1jft s LEU 271 CO 0.18 -0.04 -0.18 -0.51 -1.32 0.00 0.00 176.35 174.49 1jft s ILE 272 N 0.76 1.48 0.00 6.68 2.07 0.80 -4.44 121.20 128.55 1jft s ILE 272 Ca -0.10 -0.74 0.00 0.00 -1.41 0.00 0.00 60.65 58.40 1jft s ILE 272 Cb -0.13 -1.27 0.00 0.00 0.13 0.00 0.00 42.46 41.19 1jft s ILE 272 CO 0.00 0.42 0.00 0.61 -1.91 0.00 0.00 174.94 174.07 1jft n GLY 273 N 3.16 3.74 3.45 1.50 0.00 0.17 0.34 105.19 117.56 1jft n GLY 273 Ca -0.18 -2.07 -0.07 0.00 0.00 0.00 0.00 46.02 43.69 1jft n GLY 273 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jft s TYR 274 N 1.26 -0.91 0.00 1.61 6.04 -1.19 -2.70 117.35 121.46 1jft s TYR 274 Ca 0.00 1.78 0.00 0.00 0.04 0.00 0.00 57.07 58.89 1jft s TYR 274 Cb 0.00 0.49 0.00 0.00 -1.04 0.00 0.00 41.96 41.41 1jft s TYR 274 CO 0.00 -0.48 0.00 -0.25 -1.54 0.00 0.00 175.55 173.28 1jft n ASP 275 N 4.68 0.00 -3.20 4.32 10.43 0.57 -1.15 116.55 132.20 1jft n ASP 275 Ca -0.18 0.00 -0.08 0.00 2.57 0.00 0.00 54.79 57.10 1jft n ASP 275 Cb 0.54 0.00 0.02 0.00 1.84 0.00 0.00 41.12 43.53 1jft n ASP 275 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1jft n ASN 276 N 0.00 -7.12 -4.82 -2.24 5.15 -1.17 -2.47 115.26 102.59 1jft n ASN 276 Ca 0.00 -0.38 -0.32 0.00 -0.60 0.00 0.00 54.58 53.28 1jft n ASN 276 Cb 0.00 -4.93 -0.01 0.00 -0.53 0.00 0.00 39.78 34.31 1jft n ASN 276 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1jft s VAL 277 N -3.14 4.13 0.60 3.44 -7.23 -1.26 -4.77 120.40 112.16 1jft s VAL 277 Ca 0.17 1.01 0.28 0.00 -1.81 0.00 0.00 61.98 61.63 1jft s VAL 277 Cb -0.03 -3.53 0.40 0.00 0.56 0.00 0.00 36.38 33.78 1jft s VAL 277 CO 0.76 -0.60 1.50 0.03 -0.31 0.00 0.00 175.10 176.49 1jft h ARG 278 N 0.61 0.00 -0.02 4.82 3.08 -1.93 -0.64 114.38 120.31 1jft h ARG 278 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1jft h ARG 278 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1jft h ARG 278 CO 0.59 0.00 -0.21 0.09 -1.07 0.00 0.00 179.97 179.38 1jft n ASN 279 N -3.41 1.95 -0.34 7.04 3.02 -1.26 -4.57 115.26 117.69 1jft n ASN 279 Ca 0.19 -1.47 0.21 0.00 -0.03 0.00 0.00 54.58 53.48 1jft n ASN 279 Cb 1.28 0.29 0.43 0.00 -0.61 0.00 0.00 39.78 41.17 1jft n ASN 279 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jft h ALA 280 N 3.04 1.90 0.00 5.41 0.00 -1.46 0.26 119.26 128.40 1jft h ALA 280 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1jft h ALA 280 Cb 0.62 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1jft h ALA 280 CO 0.00 -0.42 0.00 -0.09 0.00 0.00 0.00 179.25 178.74 1jft h ARG 281 N 0.47 0.00 -0.35 0.00 1.12 -1.80 -0.75 114.38 113.06 1jft h ARG 281 Ca 0.68 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.55 1jft h ARG 281 Cb 1.44 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.40 1jft h ARG 281 CO -0.52 0.00 0.00 0.66 -3.11 0.00 0.00 179.97 177.00 1jft n TYR 282 N -2.75 1.09 -1.83 2.20 4.02 0.91 -4.45 117.16 116.34 1jft n TYR 282 Ca -0.02 -0.79 -0.29 0.00 -0.01 0.00 0.00 57.90 56.79 1jft n TYR 282 Cb 0.07 -0.30 0.11 0.00 -0.02 0.00 0.00 39.34 39.20 1jft n TYR 282 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1jft s PHE 283 N -2.50 2.64 -0.25 -0.72 0.40 -0.31 -4.90 117.98 112.35 1jft s PHE 283 Ca 0.42 0.70 0.02 0.00 -0.60 0.00 0.00 56.93 57.47 1jft s PHE 283 Cb 0.32 -3.57 0.06 0.00 0.51 0.00 0.00 43.02 40.34 1jft s PHE 283 CO 0.12 -2.04 -0.09 0.99 0.70 0.00 0.00 175.22 174.91 1jft s THR 284 N -3.56 1.87 0.80 0.64 2.01 -1.26 -1.26 115.64 114.89 1jft s THR 284 Ca 0.64 -1.43 -0.10 0.00 0.31 0.00 0.00 61.69 61.10 1jft s THR 284 Cb -0.11 -2.05 0.10 0.00 0.01 0.00 0.00 72.50 70.46 1jft s THR 284 CO 0.50 -0.05 1.15 -2.16 -0.69 0.00 0.00 174.62 173.37 1jft s PRO 285 N 1.24 1.73 -0.20 4.92 0.04 -1.26 -4.97 135.00 136.49 1jft s PRO 285 Ca -0.07 -0.20 -0.35 0.00 0.04 0.00 0.00 61.00 60.41 1jft s PRO 285 Cb -0.19 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 32.20 1jft s PRO 285 CO -0.06 -1.65 1.95 0.00 0.04 0.00 0.00 177.00 177.28 1jft n ALA 286 N -3.26 0.75 -1.83 8.56 0.00 -0.39 -4.81 120.51 119.54 1jft n ALA 286 Ca 0.10 0.19 -0.41 0.00 0.00 0.00 0.00 53.44 53.31 1jft n ALA 286 Cb 0.60 -2.48 -0.02 0.00 0.00 0.00 0.00 19.45 17.56 1jft n ALA 286 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1jft s LEU 287 N 5.05 4.37 -0.20 0.00 2.96 -1.10 -0.57 118.68 129.18 1jft s LEU 287 Ca 0.99 2.79 -0.11 0.00 -0.22 0.00 0.00 54.13 57.58 1jft s LEU 287 Cb -0.79 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 42.22 1jft s LEU 287 CO 0.53 -0.80 0.16 -0.89 -1.32 0.00 0.00 176.35 174.04 1jft s THR 288 N 0.01 5.38 0.32 3.68 2.01 -1.26 -4.46 115.64 121.32 1jft s THR 288 Ca 0.61 0.24 -0.19 0.00 0.31 0.00 0.00 61.69 62.66 1jft s THR 288 Cb -0.44 -3.50 0.04 0.00 0.01 0.00 0.00 72.50 68.61 1jft s THR 288 CO 0.45 0.41 0.77 0.28 -0.69 0.00 0.00 174.62 175.85 1jft s THR 289 N 0.52 0.00 -0.12 -0.82 -1.32 -0.91 -0.65 115.64 112.34 1jft s THR 289 Ca 0.09 -0.97 -0.17 0.00 -1.21 0.00 0.00 61.69 59.43 1jft s THR 289 Cb -0.12 -2.45 -0.04 0.00 -1.51 0.00 0.00 72.50 68.38 1jft s THR 289 CO 0.00 0.00 0.42 -0.63 -2.21 0.00 0.00 174.62 172.20 1jft s ILE 290 N -3.07 5.21 -0.09 5.08 -1.09 -1.10 0.16 121.20 126.30 1jft s ILE 290 Ca 0.14 0.83 -0.20 0.00 -2.23 0.00 0.00 60.65 59.19 1jft s ILE 290 Cb -0.05 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 1jft s ILE 290 CO 0.09 0.37 0.54 -2.28 -1.23 0.00 0.00 174.94 172.42 1jft s HIS 291 N 0.43 3.55 -0.20 3.97 5.65 0.30 -0.32 115.29 128.68 1jft s HIS 291 Ca 0.23 1.00 -0.12 0.00 0.25 0.00 0.00 55.06 56.42 1jft s HIS 291 Cb -0.15 -2.61 -0.05 0.00 -1.18 0.00 0.00 32.58 28.60 1jft s HIS 291 CO 0.09 0.17 0.23 -1.14 -0.65 0.00 0.00 174.74 173.44 1jft s GLN 292 N 0.56 4.17 -0.96 2.88 2.00 -1.03 -2.01 119.66 125.27 1jft s GLN 292 Ca 0.29 -0.07 -0.24 0.00 -2.00 0.00 0.00 55.36 53.34 1jft s GLN 292 Cb -0.16 -3.48 0.03 0.00 0.80 0.00 0.00 33.01 30.20 1jft s GLN 292 CO 0.13 0.15 1.52 -1.25 -0.50 0.00 0.00 175.29 175.34 1jft s PRO 293 N 0.76 3.36 -0.02 1.67 0.05 -1.26 -4.80 135.00 134.76 1jft s PRO 293 Ca 0.12 -0.85 -0.23 0.00 0.05 0.00 0.00 61.00 60.09 1jft s PRO 293 Cb -0.13 -5.16 -0.17 0.00 0.05 0.00 0.00 34.50 29.09 1jft s PRO 293 CO 0.03 -2.40 1.09 0.87 0.05 0.00 0.00 177.00 176.63 1jft h LYS 294 N 10.19 -0.25 0.20 4.56 1.57 -1.94 -2.64 116.57 128.26 1jft h LYS 294 Ca 0.12 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1jft h LYS 294 Cb 1.02 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 1jft h LYS 294 CO 1.37 0.14 -0.44 -0.44 -0.57 0.00 0.00 179.45 179.51 1jft h ASP 295 N -0.75 -1.29 0.06 0.86 3.32 -1.87 -0.15 116.42 116.60 1jft h ASP 295 Ca -0.03 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1jft h ASP 295 Cb 0.51 0.47 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 1jft h ASP 295 CO 0.04 -0.53 -0.02 0.77 -1.72 0.00 0.00 179.24 177.78 1jft h SER 296 N -0.73 0.00 -0.12 6.45 4.64 -1.98 -0.23 113.55 121.58 1jft h SER 296 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 1jft h SER 296 Cb 0.72 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1jft h SER 296 CO -0.21 0.02 -0.22 0.25 -0.87 0.00 0.00 176.83 175.80 1jft h LEU 297 N 0.00 0.54 0.06 5.97 6.46 -0.66 0.42 115.31 128.10 1jft h LEU 297 Ca -0.00 -0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.58 1jft h LEU 297 Cb 0.06 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 1jft h LEU 297 CO 0.00 0.77 -0.03 1.23 -0.62 0.00 0.00 178.44 179.79 1jft h GLY 298 N 1.00 -0.08 1.06 3.75 0.00 -0.36 -2.84 103.07 105.59 1jft h GLY 298 Ca 0.07 0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.47 1jft h GLY 298 CO 0.05 -0.03 0.54 -2.09 0.00 0.00 0.00 176.54 175.01 1jft h GLU 299 N -0.87 0.98 0.19 4.80 4.81 -1.16 0.10 114.58 123.44 1jft h GLU 299 Ca -0.01 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1jft h GLU 299 Cb 0.64 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1jft h GLU 299 CO 0.01 0.65 -0.09 1.15 -0.73 0.00 0.00 179.01 180.00 1jft h THR 300 N 1.01 0.90 -0.46 0.32 2.02 -0.21 -2.01 112.91 114.48 1jft h THR 300 Ca 0.33 -0.42 0.08 0.00 0.77 0.00 0.00 66.41 67.17 1jft h THR 300 Cb 0.05 1.15 -0.07 0.00 -1.74 0.00 0.00 68.15 67.54 1jft h THR 300 CO -0.10 0.10 0.07 0.00 0.37 0.00 0.00 175.52 175.96 1jft h ALA 301 N 0.32 0.50 0.00 6.16 0.00 -1.13 -0.83 119.26 124.27 1jft h ALA 301 Ca -0.03 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1jft h ALA 301 Cb 0.35 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jft h ALA 301 CO 0.04 -0.33 -0.14 0.35 0.00 0.00 0.00 179.25 179.17 1jft h PHE 302 N 0.20 0.00 0.15 0.00 3.57 -0.96 -1.34 116.94 118.56 1jft h PHE 302 Ca 0.23 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.42 1jft h PHE 302 Cb 0.31 0.00 0.03 0.00 2.79 0.00 0.00 35.95 39.08 1jft h PHE 302 CO -0.23 0.14 -1.30 -0.91 -2.23 0.00 0.00 178.31 173.78 1jft h ASN 303 N 0.00 0.88 -0.22 0.41 2.35 -0.42 -1.67 115.58 116.91 1jft h ASN 303 Ca -0.00 -0.83 -0.04 0.00 -0.55 0.00 0.00 56.30 54.87 1jft h ASN 303 Cb 0.27 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1jft h ASN 303 CO 0.02 1.64 0.02 0.24 -1.65 0.00 0.00 177.43 177.69 1jft h MET 304 N 0.25 0.49 0.62 0.81 2.86 -0.72 -2.16 114.93 117.08 1jft h MET 304 Ca -0.20 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.31 1jft h MET 304 Cb 1.97 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 33.56 1jft h MET 304 CO 0.25 0.50 -0.30 1.25 1.06 0.00 0.00 176.91 179.67 1jft h LEU 305 N 0.47 -0.71 -1.91 1.22 5.85 -1.17 -2.73 115.31 116.33 1jft h LEU 305 Ca 0.10 -0.02 0.25 0.00 0.84 0.00 0.00 57.88 59.05 1jft h LEU 305 Cb 0.29 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1jft h LEU 305 CO 0.01 -0.35 0.64 0.25 -0.34 0.00 0.00 178.44 178.64 1jft h LEU 306 N -1.09 0.07 0.10 2.25 5.85 -1.15 -0.48 115.31 120.85 1jft h LEU 306 Ca -0.09 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1jft h LEU 306 Cb 0.69 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1jft h LEU 306 CO 0.14 0.02 -0.05 -0.78 -0.34 0.00 0.00 178.44 177.44 1jft h ASP 307 N 0.07 -0.11 -1.24 1.25 -0.00 -1.17 0.55 116.42 115.77 1jft h ASP 307 Ca 0.43 0.00 0.36 0.00 -0.00 0.00 0.00 57.03 57.83 1jft h ASP 307 Cb 1.63 0.03 -0.09 0.00 -0.00 0.00 0.00 39.33 40.89 1jft h ASP 307 CO -0.04 -0.08 0.83 0.03 -0.00 0.00 0.00 179.24 179.99 1jft h ARG 308 N -0.13 0.16 0.00 0.28 3.08 -1.05 0.53 114.38 117.24 1jft h ARG 308 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1jft h ARG 308 Cb 0.10 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1jft h ARG 308 CO 0.02 0.11 0.00 -0.89 -1.07 0.00 0.00 179.97 178.14 1jft n ILE 309 N -4.47 0.00 -0.01 2.04 5.41 -0.27 -1.86 119.36 120.20 1jft n ILE 309 Ca 0.30 0.44 -0.09 0.00 1.00 0.00 0.00 62.75 64.40 1jft n ILE 309 Cb 1.23 -0.88 -0.04 0.00 -0.71 0.00 0.00 39.64 39.24 1jft n ILE 309 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 1jft h VAL 310 N 0.00 0.79 -0.22 1.39 -1.51 0.37 -2.51 116.25 114.57 1jft h VAL 310 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1jft h VAL 310 Cb 0.00 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 1jft h VAL 310 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.93 1jft n ASN 311 N -5.20 2.50 -3.39 4.19 4.13 0.18 -4.90 115.26 112.77 1jft n ASN 311 Ca -0.04 -2.28 -0.20 0.00 1.68 0.00 0.00 54.58 53.74 1jft n ASN 311 Cb 0.13 -0.50 -0.04 0.00 -1.54 0.00 0.00 39.78 37.83 1jft n ASN 311 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1jft n LYS 312 N 0.24 -1.84 -1.73 3.52 5.02 -0.78 -4.84 118.16 117.77 1jft n LYS 312 Ca 0.10 0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 56.03 1jft n LYS 312 Cb 0.53 -4.39 -0.01 0.00 -0.02 0.00 0.00 35.03 31.14 1jft n LYS 312 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1jft n ARG 313 N -3.13 2.33 -0.13 1.97 0.63 -1.16 -4.95 116.66 112.23 1jft n ARG 313 Ca 0.06 0.82 -0.27 0.00 -0.92 0.00 0.00 57.85 57.53 1jft n ARG 313 Cb 0.45 -2.46 -0.10 0.00 0.45 0.00 0.00 32.46 30.80 1jft n ARG 313 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1jft n GLU 314 N 0.64 0.58 -2.44 -0.14 -0.58 -1.26 -4.74 120.64 112.70 1jft n GLU 314 Ca 0.04 0.35 -0.40 0.00 -0.42 0.00 0.00 57.16 56.72 1jft n GLU 314 Cb 0.37 -1.56 -0.04 0.00 -0.57 0.00 0.00 31.44 29.64 1jft n GLU 314 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1jft s GLU 315 N -2.48 4.61 0.06 3.49 2.02 -1.26 -4.99 118.70 120.16 1jft s GLU 315 Ca -0.36 1.84 -0.31 0.00 0.02 0.00 0.00 54.97 56.17 1jft s GLU 315 Cb 0.12 -3.18 -0.07 0.00 0.10 0.00 0.00 34.13 31.10 1jft s GLU 315 CO 0.51 0.17 1.40 -1.25 0.02 0.00 0.00 175.26 176.11 1jft s PRO 316 N -1.42 4.30 0.44 0.39 0.04 -1.26 -5.00 135.00 132.49 1jft s PRO 316 Ca 0.45 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.60 1jft s PRO 316 Cb -0.33 -3.41 -0.01 0.00 0.04 0.00 0.00 34.50 30.79 1jft s PRO 316 CO 0.42 -0.50 0.38 -1.14 0.04 0.00 0.00 177.00 176.19 1jft s GLN 317 N 1.73 2.45 -0.17 4.56 0.74 -1.26 -4.98 119.66 122.73 1jft s GLN 317 Ca 0.65 -1.64 -0.09 0.00 0.05 0.00 0.00 55.36 54.33 1jft s GLN 317 Cb -0.34 -2.31 0.06 0.00 1.10 0.00 0.00 33.01 31.52 1jft s GLN 317 CO 0.29 -0.27 0.40 -1.12 -0.55 0.00 0.00 175.29 174.03 1jft s SER 318 N -4.15 -0.46 -0.08 6.67 0.01 -1.25 -1.16 113.70 113.27 1jft s SER 318 Ca 0.46 0.87 0.03 0.00 1.31 0.00 0.00 55.95 58.63 1jft s SER 318 Cb -0.02 0.79 0.00 0.00 0.21 0.00 0.00 66.02 67.00 1jft s SER 318 CO 0.27 -0.20 -0.19 -0.63 0.41 0.00 0.00 173.24 172.91 1jft s ILE 319 N 1.51 1.63 0.20 1.44 1.01 -0.18 -4.96 121.20 121.84 1jft s ILE 319 Ca -0.09 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.67 1jft s ILE 319 Cb -0.09 -1.42 -0.07 0.00 0.01 0.00 0.00 42.46 40.88 1jft s ILE 319 CO -0.12 0.46 0.57 -1.61 0.00 0.00 0.00 174.94 174.24 1jft s GLU 320 N 0.41 3.90 0.26 2.79 2.02 -1.26 -0.93 118.70 125.89 1jft s GLU 320 Ca -0.15 0.41 0.10 0.00 0.02 0.00 0.00 54.97 55.35 1jft s GLU 320 Cb -0.16 -2.76 -0.05 0.00 0.10 0.00 0.00 34.13 31.26 1jft s GLU 320 CO 0.06 0.38 -0.16 0.54 0.02 0.00 0.00 175.26 176.09 1jft s VAL 321 N -1.67 2.15 -0.11 2.63 0.11 0.78 -4.90 120.40 119.40 1jft s VAL 321 Ca 0.44 -2.31 0.00 0.00 -2.93 0.00 0.00 61.98 57.18 1jft s VAL 321 Cb -0.13 -2.25 0.02 0.00 -1.53 0.00 0.00 36.38 32.49 1jft s VAL 321 CO 0.20 -0.44 -0.09 -1.00 -3.33 0.00 0.00 175.10 170.43 1jft s HIS 322 N -2.71 1.56 0.52 1.54 3.76 -1.26 -4.27 115.29 114.43 1jft s HIS 322 Ca 0.28 -0.76 -0.20 0.00 -0.15 0.00 0.00 55.06 54.23 1jft s HIS 322 Cb -0.02 -1.24 -0.07 0.00 1.11 0.00 0.00 32.58 32.36 1jft s HIS 322 CO 0.12 -0.48 1.11 -1.25 -0.85 0.00 0.00 174.74 173.39 1jft s PRO 323 N 1.46 3.50 -0.06 8.40 0.04 -1.26 -4.67 135.00 142.41 1jft s PRO 323 Ca 0.01 1.58 -0.04 0.00 0.04 0.00 0.00 61.00 62.59 1jft s PRO 323 Cb -0.13 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.35 1jft s PRO 323 CO -0.06 -0.72 0.15 -0.98 0.04 0.00 0.00 177.00 175.43 1jft s ARG 324 N -3.19 0.15 0.28 4.56 1.70 -0.85 -4.93 118.95 116.67 1jft s ARG 324 Ca 0.70 0.26 -0.30 0.00 -0.47 0.00 0.00 55.73 55.92 1jft s ARG 324 Cb -0.23 0.00 -0.11 0.00 -0.57 0.00 0.00 34.95 34.04 1jft s ARG 324 CO 0.26 -0.06 1.57 -1.17 -1.08 0.00 0.00 175.30 174.82 1jft s LEU 325 N 0.42 4.35 -0.22 -1.89 1.98 -1.26 -0.54 118.68 121.52 1jft s LEU 325 Ca -0.03 2.90 0.02 0.00 -2.89 0.00 0.00 54.13 54.13 1jft s LEU 325 Cb -0.04 -3.63 0.04 0.00 0.66 0.00 0.00 46.19 43.22 1jft s LEU 325 CO -0.02 -0.88 -0.15 -0.63 -1.89 0.00 0.00 176.35 172.78 1jft s ILE 326 N 0.04 2.12 -0.07 6.68 -1.09 0.12 -4.87 121.20 124.13 1jft s ILE 326 Ca 0.63 -1.30 -0.22 0.00 -2.23 0.00 0.00 60.65 57.52 1jft s ILE 326 Cb -0.47 -2.08 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 1jft s ILE 326 CO 0.47 0.24 0.65 -1.61 -1.23 0.00 0.00 174.94 173.45 1jft s GLU 327 N 1.19 4.41 0.00 2.79 2.02 -1.26 -2.15 118.70 125.70 1jft s GLU 327 Ca -0.02 0.78 0.00 0.00 0.02 0.00 0.00 54.97 55.75 1jft s GLU 327 Cb -0.17 -3.43 0.00 0.00 0.10 0.00 0.00 34.13 30.63 1jft s GLU 327 CO -0.09 0.12 0.00 0.54 0.02 0.00 0.00 175.26 175.85 1jft n ARG 328 N 3.64 0.00 -1.50 1.61 1.74 -1.26 -4.96 116.66 115.93 1jft n ARG 328 Ca -0.03 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.06 1jft n ARG 328 Cb 0.51 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.04 1jft n ARG 328 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1jft n ARG 329 N 0.00 1.16 -0.08 5.56 1.74 0.26 -4.76 116.66 120.55 1jft n ARG 329 Ca 0.00 -2.88 0.04 0.00 -0.77 0.00 0.00 57.85 54.24 1jft n ARG 329 Cb 0.00 -1.00 0.08 0.00 -1.02 0.00 0.00 32.46 30.51 1jft n ARG 329 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1jft n SER 330 N -0.30 2.26 -4.17 0.55 3.41 -1.22 -4.47 113.62 109.69 1jft n SER 330 Ca 0.14 -1.76 -0.25 0.00 -0.26 0.00 0.00 58.87 56.75 1jft n SER 330 Cb 0.94 -0.10 -0.15 0.00 -0.26 0.00 0.00 64.21 64.63 1jft n SER 330 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jft s VAL 331 N -0.86 1.39 0.15 -3.33 1.01 -1.26 -0.57 120.40 116.92 1jft s VAL 331 Ca 0.13 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.41 1jft s VAL 331 Cb 0.07 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1jft s VAL 331 CO 0.10 0.38 -0.12 0.00 0.00 0.00 0.00 175.10 175.46 1jft s ALA 332 N -0.42 1.56 0.49 5.51 0.00 -1.26 -4.96 121.76 122.68 1jft s ALA 332 Ca 0.07 -1.44 -0.22 0.00 0.00 0.00 0.00 51.96 50.37 1jft s ALA 332 Cb -0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 23.12 22.95 1jft s ALA 332 CO -0.01 0.01 1.11 -0.25 0.00 0.00 0.00 175.76 176.62 1jft n ASP 333 N 0.07 1.62 -4.87 0.00 8.00 -1.26 -4.90 116.55 115.20 1jft n ASP 333 Ca -0.12 0.97 -0.21 0.00 0.71 0.00 0.00 54.79 56.15 1jft n ASP 333 Cb 0.59 -1.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.23 1jft n ASP 333 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1jft s GLY 334 N -0.87 1.93 0.59 0.44 0.00 0.20 -4.95 107.32 104.66 1jft s GLY 334 Ca 0.68 -1.75 0.31 0.00 0.00 0.00 0.00 44.72 43.96 1jft s GLY 334 CO 0.53 -1.62 1.64 -0.56 0.00 0.00 0.00 173.10 173.10 1jft h PRO 335 N 1.12 0.00 -0.45 2.90 0.13 -1.81 -1.82 132.00 132.07 1jft h PRO 335 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1jft h PRO 335 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1jft h PRO 335 CO 0.57 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.53 1jft n PHE 336 N -3.62 0.59 -0.00 1.56 3.01 0.30 -4.70 117.46 114.60 1jft n PHE 336 Ca 0.19 -0.32 -0.10 0.00 1.01 0.00 0.00 57.45 58.23 1jft n PHE 336 Cb 1.17 -0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 40.57 1jft n PHE 336 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1jft h ARG 337 N 4.17 -0.38 -0.62 -1.08 2.43 -1.48 -2.65 114.38 114.77 1jft h ARG 337 Ca 0.00 0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.34 1jft h ARG 337 Cb 0.95 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 1jft h ARG 337 CO 0.00 -0.25 0.43 -0.44 -1.51 0.00 0.00 179.97 178.20 1jft h ASP 338 N -0.39 0.19 -0.08 -3.80 3.32 -1.84 -1.22 116.42 112.59 1jft h ASP 338 Ca 0.02 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1jft h ASP 338 Cb 0.46 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1jft h ASP 338 CO -0.29 0.10 0.00 -1.22 -1.72 0.00 0.00 179.24 176.11 1jft n TYR 339 N -4.43 0.15 -3.56 4.55 4.02 -1.00 -4.84 117.16 112.05 1jft n TYR 339 Ca 0.11 -0.06 -0.40 0.00 -0.01 0.00 0.00 57.90 57.54 1jft n TYR 339 Cb 0.55 -0.04 -0.11 0.00 -0.02 0.00 0.00 39.34 39.72 1jft n TYR 339 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1jft s ARG 340 N -1.71 3.30 0.00 -0.72 0.52 -0.46 -5.11 118.95 114.77 1jft s ARG 340 Ca 0.06 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 1jft s ARG 340 Cb 0.03 -3.75 0.00 0.00 0.52 0.00 0.00 34.95 31.75 1jft s ARG 340 CO 0.03 -0.51 0.39 -2.13 0.02 0.00 0.00 175.30 173.11