#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jla h VAL 3 N 0.00 0.86 -0.41 2.46 2.07 -1.98 -0.75 116.25 118.50 2jla h VAL 3 Ca 0.00 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2jla h VAL 3 Cb 0.00 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 2jla h VAL 3 CO 0.00 0.05 -0.24 -0.24 0.02 0.00 0.00 177.57 177.16 2jla n SER 4 N -5.04 -0.44 -0.16 0.57 2.88 -1.12 -0.52 113.62 109.80 2jla n SER 4 Ca 0.02 1.25 -0.02 0.00 -1.33 0.00 0.00 58.87 58.79 2jla n SER 4 Cb 0.15 -0.35 0.20 0.00 -0.75 0.00 0.00 64.21 63.46 2jla n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jla h ALA 5 N -0.31 1.28 -0.28 -1.46 0.00 -1.63 -2.49 119.26 114.38 2jla h ALA 5 Ca 0.07 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 2jla h ALA 5 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jla h ALA 5 CO -0.39 0.53 -0.41 0.35 0.00 0.00 0.00 179.25 179.33 2jla h PHE 6 N 0.87 0.81 -1.00 0.00 3.57 -0.71 -1.64 116.94 118.84 2jla h PHE 6 Ca 0.21 -0.24 0.22 0.00 3.53 0.00 0.00 57.97 61.68 2jla h PHE 6 Cb 0.17 -0.17 -0.11 0.00 2.79 0.00 0.00 35.95 38.63 2jla h PHE 6 CO 0.01 0.97 0.61 -0.91 -2.23 0.00 0.00 178.31 176.76 2jla h ASN 7 N 0.55 0.73 0.22 0.41 2.35 -0.33 0.44 115.58 119.95 2jla h ASN 7 Ca 0.04 0.11 -0.33 0.00 -0.55 0.00 0.00 56.30 55.58 2jla h ASN 7 Cb 0.95 -0.01 0.04 0.00 0.05 0.00 0.00 38.32 39.34 2jla h ASN 7 CO 0.09 0.20 -1.41 0.03 -1.65 0.00 0.00 177.43 174.69 2jla h ARG 8 N 0.68 0.57 -0.01 0.81 3.08 -1.41 -1.75 114.38 116.35 2jla h ARG 8 Ca 0.61 -0.90 0.03 0.00 0.07 0.00 0.00 59.98 59.78 2jla h ARG 8 Cb 1.05 0.33 -0.04 0.00 0.08 0.00 0.00 29.97 31.39 2jla h ARG 8 CO -0.42 1.43 -0.20 0.00 -1.07 0.00 0.00 179.97 179.71 2jla h ARG 9 N 0.18 -0.30 -0.40 0.04 -0.00 -0.42 -0.70 114.38 112.78 2jla h ARG 9 Ca -0.24 0.02 0.08 0.00 -0.50 0.00 0.00 59.98 59.34 2jla h ARG 9 Cb 2.10 0.07 -0.07 0.00 0.00 0.00 0.00 29.97 32.07 2jla h ARG 9 CO 0.27 -0.20 -0.03 2.35 0.00 0.00 0.00 179.97 182.36 2jla h TRP 10 N -0.31 -0.08 -0.58 3.04 2.91 -0.97 -2.59 115.95 117.37 2jla h TRP 10 Ca 0.06 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.08 2jla h TRP 10 Cb 0.39 0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 29.11 2jla h TRP 10 CO -0.25 -0.11 0.25 0.00 -1.03 0.00 0.00 178.44 177.31 2jla h ALA 11 N 1.37 0.76 -0.07 2.65 0.00 -1.02 -2.83 119.26 120.12 2jla h ALA 11 Ca 0.20 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2jla h ALA 11 Cb 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2jla h ALA 11 CO -0.35 0.35 -0.19 0.00 0.00 0.00 0.00 179.25 179.05 2jla h ALA 12 N 1.09 1.56 -0.39 0.00 0.00 -0.90 -0.39 119.26 120.23 2jla h ALA 12 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jla h ALA 12 Cb 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2jla h ALA 12 CO -0.02 0.32 0.25 0.28 0.00 0.00 0.00 179.25 180.08 2jla h VAL 13 N 0.10 1.11 0.64 0.00 2.07 -1.23 0.56 116.25 119.51 2jla h VAL 13 Ca 0.02 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2jla h VAL 13 Cb 0.40 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2jla h VAL 13 CO 0.03 0.11 -0.31 0.40 0.02 0.00 0.00 177.57 177.82 2jla h ILE 14 N 0.52 0.37 -0.66 4.57 2.04 -1.07 -1.30 117.51 121.98 2jla h ILE 14 Ca 0.14 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.93 2jla h ILE 14 Cb -0.03 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 2jla h ILE 14 CO -0.03 0.00 0.14 -0.07 0.00 0.00 0.00 178.15 178.19 2jla h LEU 15 N -0.87 1.00 -0.77 1.44 3.38 -1.10 -1.45 115.31 116.94 2jla h LEU 15 Ca -0.09 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 2jla h LEU 15 Cb 0.67 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2jla h LEU 15 CO 0.14 0.97 0.42 -0.08 0.09 0.00 0.00 178.44 179.99 2jla h GLU 16 N 1.00 1.08 -0.50 1.13 4.57 -0.88 -2.63 114.58 118.34 2jla h GLU 16 Ca 0.21 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2jla h GLU 16 Cb 0.38 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 2jla h GLU 16 CO 0.00 0.80 0.24 0.00 -1.18 0.00 0.00 179.01 178.87 2jla h ALA 17 N 1.22 0.65 -0.82 2.92 0.00 -0.62 -2.01 119.26 120.59 2jla h ALA 17 Ca 0.27 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.21 2jla h ALA 17 Cb 0.04 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 17.53 2jla h ALA 17 CO -0.04 0.22 0.38 -0.07 0.00 0.00 0.00 179.25 179.74 2jla h LEU 18 N 0.67 0.41 -1.26 0.00 3.38 -1.06 -2.22 115.31 115.23 2jla h LEU 18 Ca 0.17 0.11 0.37 0.00 0.09 0.00 0.00 57.88 58.62 2jla h LEU 18 Cb 0.13 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 40.81 2jla h LEU 18 CO -0.02 0.14 0.72 0.74 0.09 0.00 0.00 178.44 180.11 2jla h THR 19 N 0.52 0.25 0.00 0.22 2.02 -1.00 -0.68 112.91 114.24 2jla h THR 19 Ca 0.46 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.57 2jla h THR 19 Cb 0.71 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2jla h THR 19 CO -0.41 0.04 0.00 0.54 0.37 0.00 0.00 175.52 176.06 2jla n ARG 20 N -4.81 0.98 -0.21 6.66 5.12 -0.83 -3.16 116.66 120.40 2jla n ARG 20 Ca 0.33 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.34 2jla n ARG 20 Cb 1.18 -1.37 0.14 0.00 -1.16 0.00 0.00 32.46 31.24 2jla n ARG 20 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2jla n HIS 21 N -0.87 0.00 -1.13 -1.55 8.25 -0.26 -4.29 115.22 115.36 2jla n HIS 21 Ca 0.17 -0.97 -0.05 0.00 -0.26 0.00 0.00 57.72 56.62 2jla n HIS 21 Cb 0.08 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.02 2jla n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jla n GLY 22 N -1.23 0.73 3.63 -1.41 0.00 -1.19 -4.61 105.19 101.10 2jla n GLY 22 Ca 0.15 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 2jla n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jla s VAL 23 N -2.09 3.91 0.00 1.61 1.01 -1.22 -4.36 120.40 119.25 2jla s VAL 23 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.00 2jla s VAL 23 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2jla s VAL 23 CO 0.00 -0.40 0.00 -2.11 0.00 0.00 0.00 175.10 172.59 2jla n ARG 24 N 7.53 2.10 -2.80 2.72 1.85 -1.26 -4.47 116.66 122.34 2jla n ARG 24 Ca 0.17 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.63 2jla n ARG 24 Cb 0.46 -0.94 -0.06 0.00 -1.05 0.00 0.00 32.46 30.86 2jla n ARG 24 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2jla s HIS 25 N -1.89 3.87 -0.01 2.89 3.76 -1.26 -0.09 115.29 122.56 2jla s HIS 25 Ca 0.00 1.82 0.01 0.00 -0.15 0.00 0.00 55.06 56.74 2jla s HIS 25 Cb 0.00 -2.92 0.00 0.00 1.11 0.00 0.00 32.58 30.77 2jla s HIS 25 CO 0.00 0.38 -0.03 -1.50 -0.85 0.00 0.00 174.74 172.74 2jla s ILE 26 N -1.33 0.29 -0.24 0.60 2.07 -0.31 -2.46 121.20 119.82 2jla s ILE 26 Ca 0.43 -0.13 -0.01 0.00 -1.41 0.00 0.00 60.65 59.53 2jla s ILE 26 Cb -0.23 -0.27 0.02 0.00 0.13 0.00 0.00 42.46 42.11 2jla s ILE 26 CO 0.28 0.10 -0.07 0.00 -1.91 0.00 0.00 174.94 173.34 2jla s ILE 28 N 1.33 3.17 0.13 0.00 1.01 0.84 0.19 121.20 127.87 2jla s ILE 28 Ca 0.01 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.08 2jla s ILE 28 Cb -0.16 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 2jla s ILE 28 CO -0.05 0.52 0.12 0.00 0.00 0.00 0.00 174.94 175.53 2jla s ALA 29 N 0.33 3.59 0.58 9.38 0.00 -0.82 -2.81 121.76 132.01 2jla s ALA 29 Ca -0.10 -1.11 -0.17 0.00 0.00 0.00 0.00 51.96 50.58 2jla s ALA 29 Cb -0.16 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 2jla s ALA 29 CO 0.05 0.62 1.08 -2.14 0.00 0.00 0.00 175.76 175.37 2jla s PRO 30 N -2.79 3.30 0.00 0.00 0.02 -1.26 -4.69 135.00 129.57 2jla s PRO 30 Ca 0.30 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.68 2jla s PRO 30 Cb -0.11 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.39 2jla s PRO 30 CO 0.23 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.47 2jla n GLY 31 N -0.53 1.89 0.10 0.52 0.00 -1.26 -4.63 105.19 101.28 2jla n GLY 31 Ca 0.10 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 45.05 2jla n GLY 31 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jla n SER 32 N 0.00 1.86 0.20 1.61 2.88 -1.26 -4.24 113.62 114.67 2jla n SER 32 Ca 0.00 0.48 0.14 0.00 -1.33 0.00 0.00 58.87 58.15 2jla n SER 32 Cb 0.00 -0.90 0.73 0.00 -0.75 0.00 0.00 64.21 63.29 2jla n SER 32 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2jla h ARG 33 N -1.00 0.00 -0.01 -1.46 9.65 -1.97 -1.24 114.38 118.35 2jla h ARG 33 Ca -0.25 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 2jla h ARG 33 Cb 1.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 2jla h ARG 33 CO -0.15 0.00 -0.07 -1.13 2.80 0.00 0.00 179.97 181.42 2jla n SER 34 N -4.24 0.76 -0.34 -3.80 3.41 -1.26 -4.41 113.62 103.74 2jla n SER 34 Ca 0.01 -0.99 -0.08 0.00 -0.26 0.00 0.00 58.87 57.56 2jla n SER 34 Cb 0.25 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 2jla n SER 34 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2jla n THR 35 N -0.57 -0.53 -0.26 6.66 -1.04 -0.47 -0.59 114.28 117.47 2jla n THR 35 Ca 0.18 1.96 0.04 0.00 -2.04 0.00 0.00 64.05 64.19 2jla n THR 35 Cb 0.28 -2.45 0.18 0.00 -1.82 0.00 0.00 70.33 66.52 2jla n THR 35 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2jla h PRO 36 N 0.00 0.52 -0.07 -2.82 0.11 -1.84 0.27 132.00 128.17 2jla h PRO 36 Ca 0.15 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 2jla h PRO 36 Cb 0.36 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 2jla h PRO 36 CO -0.77 0.35 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.24 2jla h LEU 37 N 0.54 0.17 -0.75 2.35 3.38 -1.57 -2.30 115.31 117.13 2jla h LEU 37 Ca 0.40 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2jla h LEU 37 Cb 0.54 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2jla h LEU 37 CO -0.35 0.59 0.31 0.74 0.09 0.00 0.00 178.44 179.82 2jla h THR 38 N -0.25 1.25 -0.16 0.22 2.02 -0.16 -0.39 112.91 115.44 2jla h THR 38 Ca 0.01 -0.77 -0.21 0.00 0.77 0.00 0.00 66.41 66.21 2jla h THR 38 Cb 0.54 0.37 0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2jla h THR 38 CO 0.01 0.31 -0.73 -0.07 0.37 0.00 0.00 175.52 175.42 2jla h LEU 39 N 1.07 0.92 -0.47 2.58 3.38 -0.55 0.09 115.31 122.34 2jla h LEU 39 Ca 0.25 -0.62 0.04 0.00 0.09 0.00 0.00 57.88 57.64 2jla h LEU 39 Cb 0.19 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2jla h LEU 39 CO -0.02 1.39 0.24 0.00 0.09 0.00 0.00 178.44 180.14 2jla h ALA 40 N 0.55 0.60 -0.51 1.53 0.00 -1.21 -1.49 119.26 118.73 2jla h ALA 40 Ca -0.05 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2jla h ALA 40 Cb 1.36 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2jla h ALA 40 CO 0.15 -0.11 0.26 0.00 0.00 0.00 0.00 179.25 179.56 2jla h ALA 41 N 1.25 0.65 -0.28 0.00 0.00 -0.86 -2.04 119.26 117.97 2jla h ALA 41 Ca 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2jla h ALA 41 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jla h ALA 41 CO -0.14 -0.08 0.13 0.00 0.00 0.00 0.00 179.25 179.16 2jla h ALA 42 N 1.27 0.36 0.00 0.00 0.00 -0.48 -2.86 119.26 117.54 2jla h ALA 42 Ca 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2jla h ALA 42 Cb 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jla h ALA 42 CO -0.15 -0.06 0.00 1.05 0.00 0.00 0.00 179.25 180.09 2jla h GLU 43 N 0.32 0.00 -6.57 0.00 4.11 -1.18 -3.43 114.58 107.83 2jla h GLU 43 Ca 0.10 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.96 2jla h GLU 43 Cb 0.14 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 2jla h GLU 43 CO -0.01 0.00 0.89 1.21 0.07 0.00 0.00 179.01 181.17 2jla s ASN 44 N -5.58 6.73 0.00 3.06 3.84 -0.78 -4.93 114.94 117.28 2jla s ASN 44 Ca 0.05 0.65 0.13 0.00 0.21 0.00 0.00 52.86 53.89 2jla s ASN 44 Cb 0.08 -2.54 0.76 0.00 -0.55 0.00 0.00 41.25 38.99 2jla s ASN 44 CO 0.58 -1.13 1.32 -1.54 -2.79 0.00 0.00 177.10 173.54 2jla n SER 45 N 7.51 0.00 0.06 -4.21 3.41 -1.26 -2.97 113.62 116.16 2jla n SER 45 Ca 0.12 -1.15 -0.05 0.00 -0.26 0.00 0.00 58.87 57.52 2jla n SER 45 Cb 0.48 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 2jla n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jla h ALA 46 N 3.06 0.47 -2.71 7.33 0.00 -1.92 -3.47 119.26 122.02 2jla h ALA 46 Ca 0.00 -0.89 -0.57 0.00 0.00 0.00 0.00 54.91 53.45 2jla h ALA 46 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2jla h ALA 46 CO 0.00 1.17 -0.00 -0.06 0.00 0.00 0.00 179.25 180.35 2jla s PHE 47 N -2.75 3.80 -0.44 0.00 0.08 -1.16 -4.83 117.98 112.68 2jla s PHE 47 Ca 0.01 1.31 -0.24 0.00 0.12 0.00 0.00 56.93 58.13 2jla s PHE 47 Cb 0.09 -2.55 0.02 0.00 -0.57 0.00 0.00 43.02 40.01 2jla s PHE 47 CO 0.81 0.54 0.85 0.42 -0.10 0.00 0.00 175.22 177.74 2jla s ILE 48 N -0.97 4.57 0.04 0.64 1.01 0.87 -4.98 121.20 122.38 2jla s ILE 48 Ca 0.30 0.64 -0.23 0.00 0.00 0.00 0.00 60.65 61.36 2jla s ILE 48 Cb -0.20 -4.36 -0.06 0.00 0.01 0.00 0.00 42.46 37.85 2jla s ILE 48 CO 0.20 -0.74 0.70 -1.00 0.00 0.00 0.00 174.94 174.10 2jla s HIS 49 N 3.49 3.74 -0.01 3.97 3.76 -1.26 -1.16 115.29 127.82 2jla s HIS 49 Ca 0.33 1.39 0.06 0.00 -0.15 0.00 0.00 55.06 56.69 2jla s HIS 49 Cb -0.11 -2.73 -0.02 0.00 1.11 0.00 0.00 32.58 30.84 2jla s HIS 49 CO 0.24 0.34 -0.20 -1.01 -0.85 0.00 0.00 174.74 173.26 2jla s HIS 50 N -0.26 1.75 0.05 1.40 3.76 0.89 -4.94 115.29 117.94 2jla s HIS 50 Ca 0.35 -0.33 0.05 0.00 -0.15 0.00 0.00 55.06 54.97 2jla s HIS 50 Cb -0.20 -1.12 -0.02 0.00 1.11 0.00 0.00 32.58 32.35 2jla s HIS 50 CO 0.21 -0.02 -0.13 0.95 -0.85 0.00 0.00 174.74 174.90 2jla s THR 51 N -0.49 1.02 0.17 1.30 -4.23 -1.26 -0.11 115.64 112.04 2jla s THR 51 Ca 0.07 -1.13 -0.16 0.00 -1.18 0.00 0.00 61.69 59.30 2jla s THR 51 Cb -0.08 -0.97 0.03 0.00 1.34 0.00 0.00 72.50 72.82 2jla s THR 51 CO -0.01 -0.14 0.46 -2.28 -0.54 0.00 0.00 174.62 172.11 2jla s HIS 52 N -1.08 -0.08 -0.05 3.99 5.04 -1.12 -4.99 115.29 116.99 2jla s HIS 52 Ca -0.01 -0.25 0.20 0.00 -1.54 0.00 0.00 55.06 53.46 2jla s HIS 52 Cb -0.09 0.30 -0.31 0.00 0.04 0.00 0.00 32.58 32.52 2jla s HIS 52 CO 0.02 -0.82 0.39 1.97 -2.34 0.00 0.00 174.74 173.95 2jla n PHE 53 N -0.29 0.00 -3.47 3.88 1.16 -1.26 -4.27 117.46 113.21 2jla n PHE 53 Ca -0.12 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.05 2jla n PHE 53 Cb 0.63 -0.54 -0.10 0.00 -1.61 0.00 0.00 39.48 37.86 2jla n PHE 53 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2jla s ASP 54 N -4.52 6.11 0.34 5.98 -1.08 -1.26 -4.87 116.67 117.36 2jla s ASP 54 Ca -0.08 -0.56 0.09 0.00 -0.52 0.00 0.00 52.55 51.49 2jla s ASP 54 Cb 0.12 -2.16 0.61 0.00 -1.46 0.00 0.00 42.92 40.03 2jla s ASP 54 CO 0.85 -0.35 1.79 -0.33 0.52 0.00 0.00 175.17 177.65 2jla h GLU 55 N 8.55 0.18 -0.45 4.34 3.07 -1.89 0.13 114.58 128.50 2jla h GLU 55 Ca -0.29 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 58.47 2jla h GLU 55 Cb 1.14 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.02 2jla h GLU 55 CO 0.69 0.49 0.17 -0.09 -1.40 0.00 0.00 179.01 178.87 2jla h ARG 56 N 0.15 0.68 -0.68 2.33 2.43 -1.88 -0.77 114.38 116.64 2jla h ARG 56 Ca 0.02 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 2jla h ARG 56 Cb 0.66 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 2jla h ARG 56 CO 0.05 0.62 0.19 0.78 -1.51 0.00 0.00 179.97 180.10 2jla h GLY 57 N 0.58 1.15 0.69 2.80 0.00 -1.66 -2.39 103.07 104.24 2jla h GLY 57 Ca 0.15 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 2jla h GLY 57 CO -0.01 0.64 -0.31 -2.00 0.00 0.00 0.00 176.54 174.87 2jla h LEU 58 N 1.02 -0.82 -0.61 3.11 5.85 -0.55 0.33 115.31 123.64 2jla h LEU 58 Ca 0.22 0.07 0.12 0.00 0.84 0.00 0.00 57.88 59.13 2jla h LEU 58 Cb 0.33 0.27 -0.12 0.00 0.37 0.00 0.00 40.66 41.52 2jla h LEU 58 CO -0.00 -0.45 -0.16 1.23 -0.34 0.00 0.00 178.44 178.72 2jla h GLY 59 N -0.66 0.41 2.00 3.75 0.00 -1.06 0.16 103.07 107.67 2jla h GLY 59 Ca -0.02 0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 2jla h GLY 59 CO -0.04 -0.23 -0.26 0.45 0.00 0.00 0.00 176.54 176.46 2jla h HIS 60 N -0.01 0.00 -0.21 5.60 3.86 -0.98 0.65 115.15 124.06 2jla h HIS 60 Ca 0.29 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.43 2jla h HIS 60 Cb 0.45 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.92 2jla h HIS 60 CO -0.51 0.26 -0.13 1.25 0.86 0.00 0.00 177.93 179.66 2jla h LEU 61 N 0.00 0.47 -0.81 2.43 5.85 0.15 -0.64 115.31 122.76 2jla h LEU 61 Ca -0.00 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 2jla h LEU 61 Cb 0.65 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2jla h LEU 61 CO 0.03 0.80 0.46 0.00 -0.34 0.00 0.00 178.44 179.40 2jla h ALA 62 N 0.69 1.04 -0.06 1.25 0.00 -0.72 -0.94 119.26 120.52 2jla h ALA 62 Ca 0.04 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jla h ALA 62 Cb 0.64 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2jla h ALA 62 CO 0.04 0.54 -0.12 1.25 0.00 0.00 0.00 179.25 180.95 2jla h LEU 63 N 1.13 -0.37 -0.58 0.00 5.85 -0.78 0.16 115.31 120.72 2jla h LEU 63 Ca 0.29 0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.19 2jla h LEU 63 Cb 0.01 0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.09 2jla h LEU 63 CO -0.05 -0.17 -0.17 1.23 -0.34 0.00 0.00 178.44 178.94 2jla h GLY 64 N -0.18 0.34 0.93 3.75 0.00 -0.66 0.15 103.07 107.41 2jla h GLY 64 Ca 0.06 0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 2jla h GLY 64 CO -0.17 -0.23 0.13 1.41 0.00 0.00 0.00 176.54 177.69 2jla h LEU 65 N -0.03 0.44 -1.06 3.11 3.38 -0.70 -2.90 115.31 117.55 2jla h LEU 65 Ca 0.27 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 2jla h LEU 65 Cb 0.45 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2jla h LEU 65 CO -0.61 0.48 -0.41 0.00 0.09 0.00 0.00 178.44 177.99 2jla h ALA 66 N 0.98 1.22 0.83 1.53 0.00 -0.18 -1.87 119.26 121.76 2jla h ALA 66 Ca 0.11 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2jla h ALA 66 Cb 0.17 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jla h ALA 66 CO -0.01 0.55 -0.40 -0.22 0.00 0.00 0.00 179.25 179.17 2jla h LYS 67 N 0.10 -1.08 0.16 0.00 3.64 -0.51 -2.21 116.57 116.67 2jla h LYS 67 Ca 0.01 0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2jla h LYS 67 Cb 0.77 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2jla h LYS 67 CO 0.06 -0.71 -0.08 0.28 -2.27 0.00 0.00 179.45 176.73 2jla h VAL 68 N -1.15 0.96 0.00 2.00 2.07 -1.51 -3.30 116.25 115.31 2jla h VAL 68 Ca -0.11 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2jla h VAL 68 Cb 0.86 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2jla h VAL 68 CO 0.19 0.21 0.00 0.77 0.02 0.00 0.00 177.57 178.76 2jla h SER 69 N -0.72 0.00 -3.36 0.57 4.64 -1.46 -3.47 113.55 109.76 2jla h SER 69 Ca -0.02 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.10 2jla h SER 69 Cb 0.51 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 2jla h SER 69 CO 0.04 0.00 -0.24 0.29 -0.87 0.00 0.00 176.83 176.05 2jla n LYS 70 N -2.90 -2.06 -4.10 4.77 5.02 -0.83 -4.97 118.16 113.09 2jla n LYS 70 Ca 0.01 0.51 -0.22 0.00 -2.02 0.00 0.00 58.31 56.59 2jla n LYS 70 Cb 0.29 -4.98 -0.05 0.00 -0.02 0.00 0.00 35.03 30.26 2jla n LYS 70 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2jla s GLN 71 N -4.42 2.63 0.21 1.97 -1.52 -1.26 -5.03 119.66 112.24 2jla s GLN 71 Ca 0.00 -1.28 -0.30 0.00 -1.95 0.00 0.00 55.36 51.83 2jla s GLN 71 Cb 0.00 -2.38 -0.09 0.00 -0.22 0.00 0.00 33.01 30.32 2jla s GLN 71 CO 0.00 0.28 1.28 -1.25 -0.25 0.00 0.00 175.29 175.35 2jla s PRO 72 N -3.83 4.42 -0.09 2.91 0.04 -1.26 -4.49 135.00 132.70 2jla s PRO 72 Ca 0.35 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.44 2jla s PRO 72 Cb -0.06 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 2jla s PRO 72 CO 0.24 -0.19 -0.18 0.08 0.04 0.00 0.00 177.00 176.98 2jla s VAL 73 N -0.09 2.68 0.31 -0.36 1.01 0.14 -4.05 120.40 120.04 2jla s VAL 73 Ca 0.55 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 2jla s VAL 73 Cb -0.36 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2jla s VAL 73 CO 0.39 0.56 0.55 0.00 0.00 0.00 0.00 175.10 176.60 2jla s ALA 74 N -0.08 3.65 -0.02 5.51 0.00 -1.03 -0.34 121.76 129.45 2jla s ALA 74 Ca -0.04 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2jla s ALA 74 Cb -0.14 -2.23 0.02 0.00 0.00 0.00 0.00 23.12 20.77 2jla s ALA 74 CO 0.04 0.16 -0.00 0.08 0.00 0.00 0.00 175.76 176.04 2jla s VAL 75 N -2.16 0.14 -0.12 0.00 1.01 -0.05 -0.84 120.40 118.37 2jla s VAL 75 Ca 0.42 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.47 2jla s VAL 75 Cb -0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 2jla s VAL 75 CO 0.32 0.11 -0.12 -0.63 0.00 0.00 0.00 175.10 174.79 2jla s ILE 76 N 0.76 3.18 0.27 2.22 1.01 0.13 -0.51 121.20 128.26 2jla s ILE 76 Ca -0.07 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2jla s ILE 76 Cb -0.10 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 2jla s ILE 76 CO -0.02 0.53 0.15 0.68 0.00 0.00 0.00 174.94 176.28 2jla s VAL 77 N 0.17 0.28 0.55 2.92 -7.23 -1.20 -1.94 120.40 113.95 2jla s VAL 77 Ca -0.06 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.15 2jla s VAL 77 Cb -0.15 -2.54 0.05 0.00 0.56 0.00 0.00 36.38 34.31 2jla s VAL 77 CO 0.05 0.00 0.75 0.28 -0.31 0.00 0.00 175.10 175.87 2jla s THR 78 N -3.76 2.56 0.94 5.32 -1.32 -1.26 -2.45 115.64 115.67 2jla s THR 78 Ca 0.37 -0.83 -0.12 0.00 -1.21 0.00 0.00 61.69 59.91 2jla s THR 78 Cb 0.06 -2.73 0.16 0.00 -1.51 0.00 0.00 72.50 68.47 2jla s THR 78 CO 0.16 0.00 1.09 -0.94 -2.21 0.00 0.00 174.62 172.72 2jla s SER 79 N -4.51 3.00 0.00 8.08 1.04 -1.11 -3.73 113.70 116.47 2jla s SER 79 Ca 0.59 1.54 0.00 0.00 0.48 0.00 0.00 55.95 58.56 2jla s SER 79 Cb -0.08 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2jla s SER 79 CO 0.38 -2.94 0.00 0.61 0.98 0.00 0.00 173.24 172.27 2jla n GLY 80 N -0.72 -1.40 0.29 7.32 0.00 -1.24 -4.40 105.19 105.05 2jla n GLY 80 Ca 0.07 -1.64 0.15 0.00 0.00 0.00 0.00 46.02 44.60 2jla n GLY 80 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jla h THR 81 N 0.00 0.47 -0.97 2.61 1.35 -1.91 -1.38 112.91 113.08 2jla h THR 81 Ca 0.00 -0.12 0.20 0.00 -0.55 0.00 0.00 66.41 65.94 2jla h THR 81 Cb 0.00 1.08 -0.18 0.00 -1.73 0.00 0.00 68.15 67.31 2jla h THR 81 CO 0.00 0.02 -0.24 0.00 -0.25 0.00 0.00 175.52 175.06 2jla n ALA 82 N -2.28 0.24 -0.05 6.62 0.00 -1.26 -0.77 120.51 123.00 2jla n ALA 82 Ca -0.03 1.06 -0.11 0.00 0.00 0.00 0.00 53.44 54.37 2jla n ALA 82 Cb 0.11 -0.64 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 2jla n ALA 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jla h VAL 83 N 0.00 1.17 -0.25 0.00 2.07 -1.33 -2.92 116.25 114.99 2jla h VAL 83 Ca 0.47 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 67.54 2jla h VAL 83 Cb 0.72 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2jla h VAL 83 CO -0.99 0.16 0.27 0.00 0.02 0.00 0.00 177.57 177.03 2jla h ALA 84 N 0.90 1.89 0.00 1.67 0.00 -1.01 -0.96 119.26 121.75 2jla h ALA 84 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jla h ALA 84 Cb 0.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jla h ALA 84 CO -0.00 -0.40 0.00 -0.91 0.00 0.00 0.00 179.25 177.94 2jla h ASN 85 N 0.00 0.00 0.73 0.00 2.35 -1.11 -2.95 115.58 114.60 2jla h ASN 85 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2jla h ASN 85 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2jla h ASN 85 CO -0.00 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.96 2jla n LEU 86 N -2.95 0.39 0.11 1.61 4.77 -0.36 -3.89 117.00 116.69 2jla n LEU 86 Ca 0.02 0.59 -0.13 0.00 -0.03 0.00 0.00 56.01 56.46 2jla n LEU 86 Cb 0.39 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 2jla n LEU 86 CO 0.29 -0.38 0.68 0.22 -1.33 0.00 0.00 177.39 176.87 2jla h TYR 87 N 0.00 -0.76 -0.44 -1.77 3.20 -1.68 -1.49 116.97 114.03 2jla h TYR 87 Ca 0.00 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.98 2jla h TYR 87 Cb 0.36 0.32 -0.09 0.00 1.54 0.00 0.00 36.73 38.86 2jla h TYR 87 CO 0.00 -0.39 -0.18 -1.35 -1.64 0.00 0.00 178.16 174.61 2jla h PRO 88 N -0.49 -0.08 -0.72 1.82 0.11 -1.84 0.29 132.00 131.09 2jla h PRO 88 Ca 0.03 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.10 2jla h PRO 88 Cb 0.52 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.62 2jla h PRO 88 CO -0.17 -0.05 0.26 0.00 -0.21 0.00 0.00 178.00 177.82 2jla h ALA 89 N 1.26 1.10 -0.42 -0.75 0.00 -1.76 -2.07 119.26 116.61 2jla h ALA 89 Ca 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2jla h ALA 89 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2jla h ALA 89 CO -0.50 0.63 0.16 1.25 0.00 0.00 0.00 179.25 180.79 2jla h LEU 90 N 1.05 0.59 -0.20 0.00 5.85 -0.20 0.17 115.31 122.57 2jla h LEU 90 Ca 0.24 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.81 2jla h LEU 90 Cb 0.24 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2jla h LEU 90 CO -0.01 0.61 0.00 0.40 -0.34 0.00 0.00 178.44 179.09 2jla h ILE 91 N 0.54 0.86 0.19 4.05 2.04 -0.25 -0.68 117.51 124.26 2jla h ILE 91 Ca 0.14 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.99 2jla h ILE 91 Cb 0.21 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2jla h ILE 91 CO -0.01 0.01 -0.35 -0.08 0.00 0.00 0.00 178.15 177.73 2jla h GLU 92 N 0.06 -0.60 -0.99 2.37 4.57 -1.00 -1.91 114.58 117.09 2jla h GLU 92 Ca 0.09 0.04 0.22 0.00 -1.18 0.00 0.00 59.36 58.54 2jla h GLU 92 Cb 0.12 0.14 -0.12 0.00 -0.16 0.00 0.00 28.75 28.72 2jla h GLU 92 CO -0.16 -0.40 0.58 0.00 -1.18 0.00 0.00 179.01 177.85 2jla h ALA 93 N -0.05 1.70 0.00 2.92 0.00 -0.50 0.13 119.26 123.45 2jla h ALA 93 Ca 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2jla h ALA 93 Cb 0.62 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2jla h ALA 93 CO -0.16 -0.20 -0.11 0.78 0.00 0.00 0.00 179.25 179.56 2jla h GLY 94 N 0.62 0.00 0.92 0.00 0.00 -0.33 0.34 103.07 104.63 2jla h GLY 94 Ca 0.61 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.69 2jla h GLY 94 CO -0.45 0.00 -1.66 1.04 0.00 0.00 0.00 176.54 175.48 2jla n LEU 95 N -4.33 0.82 -0.00 3.11 4.77 -0.05 -4.56 117.00 116.76 2jla n LEU 95 Ca -0.03 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2jla n LEU 95 Cb 0.19 0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 2jla n LEU 95 CO 0.35 0.31 -0.27 0.35 -1.33 0.00 0.00 177.39 176.81 2jla n THR 96 N -2.97 0.00 0.00 -5.08 -2.24 -0.71 -4.97 114.28 98.31 2jla n THR 96 Ca -0.15 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2jla n THR 96 Cb 0.99 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 2jla n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jla n GLY 97 N 1.76 0.73 3.60 3.38 0.00 0.12 -4.99 105.19 109.79 2jla n GLY 97 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 2jla n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jla n GLU 98 N -1.03 1.41 -3.13 1.61 4.71 -1.21 -1.91 120.64 121.09 2jla n GLU 98 Ca 0.00 0.50 -0.45 0.00 -0.01 0.00 0.00 57.16 57.20 2jla n GLU 98 Cb 0.00 -1.96 -0.02 0.00 -1.01 0.00 0.00 31.44 28.44 2jla n GLU 98 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2jla s LYS 99 N -0.98 3.59 -0.38 3.49 1.02 -1.26 -3.15 119.74 122.07 2jla s LYS 99 Ca 0.65 -2.09 -0.16 0.00 0.02 0.00 0.00 55.97 54.39 2jla s LYS 99 Cb -0.74 -4.66 0.01 0.00 -0.52 0.00 0.00 37.83 31.91 2jla s LYS 99 CO 0.56 -1.53 0.39 -0.51 -0.92 0.00 0.00 175.35 173.33 2jla s LEU 100 N 1.45 4.70 -0.69 3.17 1.43 -1.24 -0.68 118.68 126.83 2jla s LEU 100 Ca 0.25 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 52.66 2jla s LEU 100 Cb -0.08 -2.34 0.12 0.00 0.03 0.00 0.00 46.19 43.93 2jla s LEU 100 CO -0.09 -0.46 0.79 -0.63 0.23 0.00 0.00 176.35 176.20 2jla s ILE 101 N 2.03 4.90 -0.74 -0.59 -1.09 0.53 -1.25 121.20 125.00 2jla s ILE 101 Ca 0.11 -1.28 -0.23 0.00 -2.23 0.00 0.00 60.65 57.02 2jla s ILE 101 Cb -0.17 -4.54 0.07 0.00 -1.58 0.00 0.00 42.46 36.23 2jla s ILE 101 CO 0.12 -1.19 1.09 -0.76 -1.23 0.00 0.00 174.94 172.98 2jla s LEU 102 N 2.38 4.15 -0.76 2.97 1.43 0.45 -0.87 118.68 128.42 2jla s LEU 102 Ca 0.16 -1.06 -0.22 0.00 -1.03 0.00 0.00 54.13 51.98 2jla s LEU 102 Cb -0.19 -2.46 0.08 0.00 0.03 0.00 0.00 46.19 43.65 2jla s LEU 102 CO 0.02 -1.48 1.08 -0.76 0.23 0.00 0.00 176.35 175.44 2jla s LEU 103 N 4.31 4.28 -0.31 1.79 1.43 0.33 0.41 118.68 130.91 2jla s LEU 103 Ca 0.28 -1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 52.07 2jla s LEU 103 Cb -0.12 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 2jla s LEU 103 CO 0.07 -1.42 0.23 0.42 0.23 0.00 0.00 176.35 175.88 2jla s THR 104 N 4.08 5.29 0.55 5.49 -4.23 0.18 -3.21 115.64 123.79 2jla s THR 104 Ca 0.28 -0.02 -0.20 0.00 -1.18 0.00 0.00 61.69 60.58 2jla s THR 104 Cb -0.12 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.02 2jla s THR 104 CO 0.05 0.10 1.16 0.00 -0.54 0.00 0.00 174.62 175.38 2jla s ALA 105 N 1.77 2.68 0.03 3.99 0.00 -1.03 -0.19 121.76 129.01 2jla s ALA 105 Ca 0.07 0.90 -0.12 0.00 0.00 0.00 0.00 51.96 52.80 2jla s ALA 105 Cb -0.17 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.58 2jla s ALA 105 CO 0.11 -0.88 0.27 0.34 0.00 0.00 0.00 175.76 175.59 2jla s ASP 106 N -1.67 -0.09 0.65 0.00 2.15 -0.58 -2.76 116.67 114.37 2jla s ASP 106 Ca 0.73 -0.19 -0.16 0.00 0.43 0.00 0.00 52.55 53.36 2jla s ASP 106 Cb -0.26 0.32 -0.00 0.00 -0.30 0.00 0.00 42.92 42.68 2jla s ASP 106 CO 0.29 -0.56 1.15 -0.13 -0.17 0.00 0.00 175.17 175.76 2jla s ARG 107 N -2.28 2.72 0.85 4.34 1.81 -1.26 -1.10 118.95 124.03 2jla s ARG 107 Ca -0.07 1.59 -0.11 0.00 -1.72 0.00 0.00 55.73 55.42 2jla s ARG 107 Cb -0.02 -1.92 0.10 0.00 -0.45 0.00 0.00 34.95 32.66 2jla s ARG 107 CO -0.02 -1.35 1.09 -1.25 -0.68 0.00 0.00 175.30 173.10 2jla s PRO 108 N -3.81 1.63 0.31 3.54 0.04 -1.25 -4.56 135.00 130.89 2jla s PRO 108 Ca 0.71 1.00 0.05 0.00 0.04 0.00 0.00 61.00 62.80 2jla s PRO 108 Cb -0.25 -1.84 0.68 0.00 0.04 0.00 0.00 34.50 33.14 2jla s PRO 108 CO 0.39 -2.03 1.82 -1.00 0.04 0.00 0.00 177.00 176.22 2jla h PRO 109 N -1.41 0.82 -0.09 0.56 0.13 -1.97 -1.54 132.00 128.50 2jla h PRO 109 Ca -0.47 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 64.64 2jla h PRO 109 Cb 1.26 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2jla h PRO 109 CO 0.53 0.54 0.28 0.93 -0.23 0.00 0.00 178.00 180.05 2jla h GLU 110 N 0.84 0.00 -0.59 0.86 3.07 -2.04 -1.99 114.58 114.73 2jla h GLU 110 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 2jla h GLU 110 Cb 0.70 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 2jla h GLU 110 CO -0.29 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.60 2jla n LEU 111 N -3.18 3.60 -4.88 1.33 4.77 -0.58 -4.92 117.00 113.15 2jla n LEU 111 Ca -0.00 -1.94 -0.35 0.00 -0.03 0.00 0.00 56.01 53.68 2jla n LEU 111 Cb 0.36 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 2jla n LEU 111 CO 0.19 0.89 -0.07 -0.63 -1.33 0.00 0.00 177.39 176.44 2jla s ILE 112 N -1.04 5.31 -1.35 -0.08 -1.09 -0.75 -4.39 121.20 117.81 2jla s ILE 112 Ca 0.40 0.25 -0.10 0.00 -2.23 0.00 0.00 60.65 58.98 2jla s ILE 112 Cb 0.21 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 37.55 2jla s ILE 112 CO 0.28 0.44 0.44 0.47 -1.23 0.00 0.00 174.94 175.35 2jla n ASP 113 N 1.38 -1.60 -1.21 3.58 8.00 -1.26 -4.89 116.55 120.55 2jla n ASP 113 Ca -0.13 -1.11 -0.02 0.00 0.71 0.00 0.00 54.79 54.24 2jla n ASP 113 Cb 0.53 -2.59 -0.03 0.00 -0.02 0.00 0.00 41.12 39.01 2jla n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jla n GLY 115 N 0.23 0.97 3.72 0.00 0.00 -1.26 -4.97 105.19 103.88 2jla n GLY 115 Ca -0.11 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 2jla n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jla s ALA 116 N -2.18 3.35 0.26 4.61 0.00 -1.26 -4.97 121.76 121.58 2jla s ALA 116 Ca 0.00 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 2jla s ALA 116 Cb 0.00 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 2jla s ALA 116 CO 0.00 -0.31 1.58 1.21 0.00 0.00 0.00 175.76 178.24 2jla s ASN 117 N 0.56 6.45 -1.25 0.00 3.84 -1.26 -2.69 114.94 120.60 2jla s ASN 117 Ca 0.54 2.86 0.00 0.00 0.21 0.00 0.00 52.86 56.47 2jla s ASN 117 Cb -0.28 -2.63 0.00 0.00 -0.55 0.00 0.00 41.25 37.79 2jla s ASN 117 CO 0.31 -0.87 0.00 1.67 -2.79 0.00 0.00 177.10 175.42 2jla n GLN 118 N 2.55 -1.15 -3.75 0.43 7.27 -1.26 -4.98 117.38 116.49 2jla n GLN 118 Ca 0.09 0.88 -0.37 0.00 0.07 0.00 0.00 57.00 57.68 2jla n GLN 118 Cb 0.38 -5.01 -0.13 0.00 2.41 0.00 0.00 30.24 27.89 2jla n GLN 118 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jla s ALA 119 N -2.27 3.16 0.22 1.69 0.00 -1.09 -3.63 121.76 119.83 2jla s ALA 119 Ca 0.00 -1.15 0.05 0.00 0.00 0.00 0.00 51.96 50.85 2jla s ALA 119 Cb 0.00 -2.09 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 2jla s ALA 119 CO 0.00 -0.52 -0.05 0.96 0.00 0.00 0.00 175.76 176.15 2jla s ILE 120 N 1.61 1.22 -0.40 0.00 -4.36 -1.26 -4.77 121.20 113.24 2jla s ILE 120 Ca 0.06 -2.07 -0.27 0.00 -0.26 0.00 0.00 60.65 58.11 2jla s ILE 120 Cb -0.15 -2.22 0.02 0.00 1.25 0.00 0.00 42.46 41.35 2jla s ILE 120 CO 0.04 -0.44 1.01 0.00 0.24 0.00 0.00 174.94 175.79 2jla s ARG 121 N -3.80 3.82 -0.23 0.37 3.03 -1.26 -4.91 118.95 115.97 2jla s ARG 121 Ca 0.25 0.62 0.09 0.00 2.03 0.00 0.00 55.73 58.72 2jla s ARG 121 Cb 0.04 -3.83 -0.20 0.00 -1.03 0.00 0.00 34.95 29.92 2jla s ARG 121 CO 0.07 -1.09 -0.09 1.04 -1.13 0.00 0.00 175.30 174.10 2jla n GLN 122 N 7.12 0.67 -1.80 3.89 6.02 -1.26 -4.91 117.38 127.10 2jla n GLN 122 Ca 0.09 0.09 -0.43 0.00 -0.01 0.00 0.00 57.00 56.74 2jla n GLN 122 Cb 0.48 -1.52 -0.03 0.00 1.02 0.00 0.00 30.24 30.19 2jla n GLN 122 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2jla s PRO 123 N -2.51 3.52 0.00 -1.09 0.02 -1.26 -4.60 135.00 129.08 2jla s PRO 123 Ca -0.24 1.97 0.00 0.00 0.02 0.00 0.00 61.00 62.74 2jla s PRO 123 Cb 0.08 -4.22 0.00 0.00 0.02 0.00 0.00 34.50 30.37 2jla s PRO 123 CO 0.70 -1.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.14 2jla n GLY 124 N 5.20 0.67 0.00 0.52 0.00 -1.26 -5.08 105.19 105.23 2jla n GLY 124 Ca 0.24 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2jla n GLY 124 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jla n PHE 126 N -0.07 0.00 0.00 1.61 0.99 -1.26 -4.89 117.46 113.84 2jla n PHE 126 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2jla n PHE 126 Cb 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.51 2jla n PHE 126 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2jla n ALA 127 N 0.00 0.00 -0.89 4.37 0.00 -1.26 -1.58 120.51 121.15 2jla n ALA 127 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2jla n ALA 127 Cb 0.00 0.00 0.38 0.00 0.00 0.00 0.00 19.45 19.83 2jla n ALA 127 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jla n SER 128 N 3.63 5.37 0.08 0.00 3.41 -1.26 -4.41 113.62 120.44 2jla n SER 128 Ca 0.00 -2.90 -0.06 0.00 -0.26 0.00 0.00 58.87 55.65 2jla n SER 128 Cb 0.00 -0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 63.24 2jla n SER 128 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2jla h HIS 129 N 3.66 0.04 -4.09 7.33 -0.00 -1.70 -3.44 115.15 116.95 2jla h HIS 129 Ca 0.00 -0.02 -0.48 0.00 -0.00 0.00 0.00 60.37 59.87 2jla h HIS 129 Cb 1.85 -0.00 0.04 0.00 -0.00 0.00 0.00 27.41 29.30 2jla h HIS 129 CO 0.97 0.94 0.40 -2.14 -0.00 0.00 0.00 177.93 178.10 2jla s PRO 130 N -2.91 3.65 0.10 2.45 0.02 -1.26 -4.61 135.00 132.44 2jla s PRO 130 Ca 0.00 1.41 -0.15 0.00 0.02 0.00 0.00 61.00 62.29 2jla s PRO 130 Cb 0.10 -2.07 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 2jla s PRO 130 CO 0.81 -0.56 1.40 1.15 -0.33 0.00 0.00 177.00 179.46 2jla h THR 131 N 1.39 1.31 -4.03 0.99 2.02 -1.03 -3.45 112.91 110.10 2jla h THR 131 Ca -0.49 -1.53 -0.46 0.00 0.77 0.00 0.00 66.41 64.69 2jla h THR 131 Cb 1.23 1.66 -0.24 0.00 -1.74 0.00 0.00 68.15 69.06 2jla h THR 131 CO 0.58 0.49 -0.80 -1.00 0.37 0.00 0.00 175.52 175.16 2jla s HIS 132 N -4.25 1.32 -0.31 3.16 3.76 -1.19 -5.05 115.29 112.73 2jla s HIS 132 Ca -0.12 -0.37 0.03 0.00 -0.15 0.00 0.00 55.06 54.44 2jla s HIS 132 Cb 0.08 -0.77 0.09 0.00 1.11 0.00 0.00 32.58 33.09 2jla s HIS 132 CO 0.84 0.05 0.03 -1.12 -0.85 0.00 0.00 174.74 173.68 2jla s SER 133 N -1.26 4.50 -0.54 1.40 0.01 -1.26 -1.67 113.70 114.87 2jla s SER 133 Ca 0.02 -1.86 -0.22 0.00 1.31 0.00 0.00 55.95 55.20 2jla s SER 133 Cb -0.08 -1.44 0.05 0.00 0.21 0.00 0.00 66.02 64.76 2jla s SER 133 CO 0.02 -0.34 0.80 -0.63 0.41 0.00 0.00 173.24 173.49 2jla s ILE 134 N 1.10 4.61 -0.66 1.44 1.01 0.27 -4.99 121.20 123.99 2jla s ILE 134 Ca 0.06 -0.14 -0.20 0.00 0.00 0.00 0.00 60.65 60.38 2jla s ILE 134 Cb -0.19 -4.44 0.10 0.00 0.01 0.00 0.00 42.46 37.94 2jla s ILE 134 CO -0.10 -1.00 0.83 -0.55 0.00 0.00 0.00 174.94 174.11 2jla s SER 135 N 2.85 6.26 0.46 3.58 0.15 -1.26 -0.96 113.70 124.78 2jla s SER 135 Ca 0.23 -1.45 -0.22 0.00 0.70 0.00 0.00 55.95 55.20 2jla s SER 135 Cb -0.16 -2.34 -0.08 0.00 -1.71 0.00 0.00 66.02 61.73 2jla s SER 135 CO 0.15 -1.17 1.08 -0.76 1.20 0.00 0.00 173.24 173.74 2jla s LEU 136 N 2.93 3.97 0.86 3.45 1.43 -0.57 -4.97 118.68 125.77 2jla s LEU 136 Ca 0.17 2.07 -0.11 0.00 -1.03 0.00 0.00 54.13 55.23 2jla s LEU 136 Cb -0.19 -4.37 0.15 0.00 0.03 0.00 0.00 46.19 41.81 2jla s LEU 136 CO 0.05 -0.76 1.20 -2.16 0.23 0.00 0.00 176.35 174.90 2jla s PRO 137 N -2.88 1.23 0.09 1.29 0.04 -1.26 -4.48 135.00 129.04 2jla s PRO 137 Ca 0.64 -0.44 -0.31 0.00 0.04 0.00 0.00 61.00 60.93 2jla s PRO 137 Cb -0.22 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 2jla s PRO 137 CO 0.26 -1.96 1.62 0.50 0.04 0.00 0.00 177.00 177.46 2jla s ARG 138 N -5.62 4.21 0.16 4.56 3.52 -1.26 -4.65 118.95 119.86 2jla s ARG 138 Ca 0.69 2.32 -0.34 0.00 -0.13 0.00 0.00 55.73 58.27 2jla s ARG 138 Cb -0.06 -3.47 -0.15 0.00 -1.56 0.00 0.00 34.95 29.72 2jla s ARG 138 CO 0.50 -0.69 1.44 -2.30 -0.81 0.00 0.00 175.30 173.44 2jla n PRO 139 N 5.10 1.77 -3.63 5.12 -0.02 -1.26 -4.98 135.00 137.10 2jla n PRO 139 Ca 0.15 0.64 -0.15 0.00 -2.02 0.00 0.00 63.50 62.12 2jla n PRO 139 Cb 0.40 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.48 2jla n PRO 139 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2jla s THR 140 N 0.51 0.03 -0.26 3.45 -1.32 -1.26 -5.03 115.64 111.75 2jla s THR 140 Ca 0.78 -0.26 0.27 0.00 -1.21 0.00 0.00 61.69 61.27 2jla s THR 140 Cb -0.76 -0.85 0.35 0.00 -1.51 0.00 0.00 72.50 69.73 2jla s THR 140 CO 0.44 -0.14 1.77 1.56 -2.21 0.00 0.00 174.62 176.03 2jla h GLN 141 N 3.30 0.00 0.00 7.08 4.20 -2.01 -3.13 115.11 124.55 2jla h GLN 141 Ca -0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2jla h GLN 141 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 2jla h GLN 141 CO 0.40 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 178.31 2jla n ASP 142 N -2.99 0.00 -4.35 1.46 8.00 -1.26 -4.37 116.55 113.04 2jla n ASP 142 Ca 0.03 -0.14 -0.35 0.00 0.71 0.00 0.00 54.79 55.04 2jla n ASP 142 Cb 0.42 -0.22 -0.14 0.00 -0.02 0.00 0.00 41.12 41.17 2jla n ASP 142 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jla s ILE 143 N -2.44 3.52 0.34 0.53 1.01 -1.19 -5.10 121.20 117.89 2jla s ILE 143 Ca 0.21 -0.45 -0.28 0.00 0.00 0.00 0.00 60.65 60.13 2jla s ILE 143 Cb 0.13 -2.59 -0.09 0.00 0.01 0.00 0.00 42.46 39.91 2jla s ILE 143 CO 0.28 0.43 1.21 -2.16 0.00 0.00 0.00 174.94 174.69 2jla s PRO 144 N 1.26 4.33 0.50 2.79 0.04 -1.26 -4.87 135.00 137.78 2jla s PRO 144 Ca 0.03 1.98 0.29 0.00 0.04 0.00 0.00 61.00 63.34 2jla s PRO 144 Cb -0.14 -2.97 1.39 0.00 0.04 0.00 0.00 34.50 32.82 2jla s PRO 144 CO -0.01 -0.13 1.83 0.00 0.04 0.00 0.00 177.00 178.74 2jla h ALA 145 N 3.24 2.75 -0.15 8.56 0.00 -1.91 0.35 119.26 132.10 2jla h ALA 145 Ca -0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2jla h ALA 145 Cb 1.23 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2jla h ALA 145 CO 0.65 -1.07 0.08 0.07 0.00 0.00 0.00 179.25 178.98 2jla h ARG 146 N 0.12 0.20 -0.00 0.00 0.11 -1.91 -2.04 114.38 110.86 2jla h ARG 146 Ca 0.51 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.58 2jla h ARG 146 Cb 1.80 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 32.83 2jla h ARG 146 CO -0.08 0.15 0.00 2.35 0.10 0.00 0.00 179.97 182.48 2jla h TRP 147 N 0.20 0.00 0.55 4.08 7.01 -0.66 -2.52 115.95 124.61 2jla h TRP 147 Ca 0.05 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 2jla h TRP 147 Cb 0.01 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 2jla h TRP 147 CO 0.00 0.22 -0.49 1.25 -2.79 0.00 0.00 178.44 176.63 2jla h LEU 148 N -0.21 -1.31 -0.97 0.65 5.85 -1.38 -0.04 115.31 117.89 2jla h LEU 148 Ca 0.00 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.89 2jla h LEU 148 Cb 0.22 0.42 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 2jla h LEU 148 CO -0.00 -0.67 0.62 1.62 -0.34 0.00 0.00 178.44 179.67 2jla h VAL 149 N -1.02 1.05 -0.52 1.05 3.04 -1.54 -2.05 116.25 116.26 2jla h VAL 149 Ca -0.07 -0.38 -0.03 0.00 -1.01 0.00 0.00 66.70 65.22 2jla h VAL 149 Cb 0.87 -0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 29.98 2jla h VAL 149 CO -0.03 0.20 0.22 0.28 -1.01 0.00 0.00 177.57 177.23 2jla h SER 150 N 1.11 0.72 -0.52 3.17 0.02 -0.97 0.62 113.55 117.69 2jla h SER 150 Ca 0.43 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 2jla h SER 150 Cb 0.22 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2jla h SER 150 CO -0.19 0.68 0.26 0.74 -1.14 0.00 0.00 176.83 177.19 2jla h THR 151 N 0.70 1.19 -0.49 -2.27 2.02 -0.74 0.29 112.91 113.62 2jla h THR 151 Ca 0.18 -0.51 -0.13 0.00 0.77 0.00 0.00 66.41 66.71 2jla h THR 151 Cb 0.18 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 2jla h THR 151 CO -0.02 0.21 -0.20 0.40 0.37 0.00 0.00 175.52 176.28 2jla h ILE 152 N 0.69 1.27 -0.56 3.11 2.04 -1.17 -2.44 117.51 120.46 2jla h ILE 152 Ca 0.18 -1.36 0.01 0.00 1.00 0.00 0.00 64.86 64.69 2jla h ILE 152 Cb 0.09 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 2jla h ILE 152 CO -0.03 0.47 0.37 0.44 0.00 0.00 0.00 178.15 179.40 2jla h ASP 153 N 0.85 0.63 0.65 1.72 3.45 0.73 -1.60 116.42 122.86 2jla h ASP 153 Ca 0.11 -0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.53 2jla h ASP 153 Cb 0.77 -0.16 0.01 0.00 -0.56 0.00 0.00 39.33 39.39 2jla h ASP 153 CO 0.06 0.46 -0.31 -0.74 -1.57 0.00 0.00 179.24 177.14 2jla h HIS 154 N 0.75 -0.80 -0.58 4.55 2.76 -0.34 0.12 115.15 121.61 2jla h HIS 154 Ca 0.21 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.40 2jla h HIS 154 Cb -0.08 0.27 -0.04 0.00 1.55 0.00 0.00 27.41 29.10 2jla h HIS 154 CO -0.04 -0.50 0.33 0.00 -1.30 0.00 0.00 177.93 176.43 2jla h ALA 155 N -0.50 0.76 0.00 5.26 0.00 -1.33 -1.32 119.26 122.13 2jla h ALA 155 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.59 2jla h ALA 155 Cb 0.67 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.34 2jla h ALA 155 CO 0.15 0.03 -0.92 -0.07 0.00 0.00 0.00 179.25 178.44 2jla h LEU 156 N 0.65 0.80 -0.98 0.00 3.38 -1.33 -3.09 115.31 114.73 2jla h LEU 156 Ca 0.25 -0.75 0.07 0.00 0.09 0.00 0.00 57.88 57.54 2jla h LEU 156 Cb 0.09 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 2jla h LEU 156 CO -0.13 1.44 0.63 1.23 0.09 0.00 0.00 178.44 181.70 2jla h GLY 157 N 0.24 1.51 -0.45 0.83 0.00 -0.54 -2.56 103.07 102.09 2jla h GLY 157 Ca -0.12 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.76 2jla h GLY 157 CO 0.18 0.31 0.00 -1.30 0.00 0.00 0.00 176.54 175.73 2jla n THR 158 N -4.53 0.11 -2.59 4.70 -2.24 -0.52 -4.25 114.28 104.96 2jla n THR 158 Ca 0.15 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 2jla n THR 158 Cb 0.20 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 2jla n THR 158 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2jla s LEU 159 N -1.74 3.35 -0.01 3.22 2.96 -0.97 -4.86 118.68 120.63 2jla s LEU 159 Ca 0.35 -0.35 -0.24 0.00 -0.22 0.00 0.00 54.13 53.66 2jla s LEU 159 Cb 0.18 -2.70 -0.17 0.00 0.50 0.00 0.00 46.19 44.00 2jla s LEU 159 CO 0.29 -1.70 1.16 -0.74 -1.32 0.00 0.00 176.35 174.04 2jla h HIS 160 N 9.86 -0.24 -3.24 5.38 -0.00 -1.90 -3.48 115.15 121.54 2jla h HIS 160 Ca -0.27 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.07 2jla h HIS 160 Cb 1.05 0.08 -0.11 0.00 -0.00 0.00 0.00 27.41 28.43 2jla h HIS 160 CO 1.09 0.15 0.06 0.00 -0.00 0.00 0.00 177.93 179.23 2jla s ALA 161 N -4.43 -1.10 0.00 5.26 0.00 -1.26 -5.06 121.76 115.16 2jla s ALA 161 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2jla s ALA 161 Cb 0.02 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.96 2jla s ALA 161 CO 0.56 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.96 2jla n GLY 162 N -0.33 -2.64 3.91 0.00 0.00 -0.80 -4.74 105.19 100.59 2jla n GLY 162 Ca -0.13 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 2jla n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jla s GLY 163 N -0.87 1.92 -0.18 -0.02 0.00 -1.25 -3.72 107.32 103.20 2jla s GLY 163 Ca 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 44.72 44.00 2jla s GLY 163 CO 0.00 -0.64 -0.10 0.14 0.00 0.00 0.00 173.10 172.50 2jla s VAL 164 N -1.85 3.06 -0.32 1.40 1.01 -0.38 -0.41 120.40 122.91 2jla s VAL 164 Ca 0.40 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.57 2jla s VAL 164 Cb -0.11 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 2jla s VAL 164 CO 0.28 0.48 0.57 -2.28 0.00 0.00 0.00 175.10 174.15 2jla s HIS 165 N 1.02 3.20 -0.35 5.22 5.65 -0.67 -0.41 115.29 128.96 2jla s HIS 165 Ca -0.01 0.43 -0.03 0.00 0.25 0.00 0.00 55.06 55.70 2jla s HIS 165 Cb -0.15 -2.93 0.07 0.00 -1.18 0.00 0.00 32.58 28.39 2jla s HIS 165 CO -0.01 -0.47 0.10 0.42 -0.65 0.00 0.00 174.74 174.13 2jla s ILE 166 N 2.49 3.29 -0.02 0.89 1.01 0.17 -0.56 121.20 128.47 2jla s ILE 166 Ca 0.22 -1.59 -0.22 0.00 0.00 0.00 0.00 60.65 59.06 2jla s ILE 166 Cb -0.15 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.24 2jla s ILE 166 CO 0.12 -0.35 0.65 0.21 0.00 0.00 0.00 174.94 175.57 2jla s ASN 167 N 1.53 7.01 -0.51 3.58 2.47 -0.14 -0.65 114.94 128.23 2jla s ASN 167 Ca 0.01 1.21 0.03 0.00 0.42 0.00 0.00 52.86 54.53 2jla s ASN 167 Cb -0.21 -2.39 0.14 0.00 -1.45 0.00 0.00 41.25 37.34 2jla s ASN 167 CO -0.01 0.02 0.30 0.00 -3.72 0.00 0.00 177.10 173.69 2jla n PRO 169 N 3.05 2.69 -3.85 0.00 -0.02 -1.26 -1.52 135.00 134.09 2jla n PRO 169 Ca 0.12 0.96 -0.24 0.00 -2.02 0.00 0.00 63.50 62.31 2jla n PRO 169 Cb 0.35 -2.76 -0.17 0.00 -0.02 0.00 0.00 33.50 30.90 2jla n PRO 169 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2jla s PHE 170 N 0.37 1.02 0.52 6.00 0.40 -0.25 -4.45 117.98 121.58 2jla s PHE 170 Ca 0.68 -0.41 -0.18 0.00 -0.60 0.00 0.00 56.93 56.42 2jla s PHE 170 Cb -0.51 -0.98 -0.07 0.00 0.51 0.00 0.00 43.02 41.97 2jla s PHE 170 CO 0.43 -0.40 1.01 0.00 0.70 0.00 0.00 175.22 176.96 2jla s ALA 171 N 1.81 2.94 -0.26 5.36 0.00 -1.26 -3.91 121.76 126.44 2jla s ALA 171 Ca 0.04 0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.25 2jla s ALA 171 Cb -0.12 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 2jla s ALA 171 CO -0.06 -0.34 0.17 -1.83 0.00 0.00 0.00 175.76 173.70 2jla s GLU 172 N -3.76 3.98 -0.49 0.00 -1.05 -1.26 -4.50 118.70 111.62 2jla s GLU 172 Ca 0.62 -0.31 0.03 0.00 -0.15 0.00 0.00 54.97 55.17 2jla s GLU 172 Cb -0.13 -3.59 0.14 0.00 -0.44 0.00 0.00 34.13 30.11 2jla s GLU 172 CO 0.28 -0.08 0.27 -2.14 0.95 0.00 0.00 175.26 174.54 2jla s PRO 173 N 1.46 1.61 0.37 -4.83 0.02 -1.26 -5.02 135.00 127.35 2jla s PRO 173 Ca 0.07 -2.34 0.14 0.00 0.02 0.00 0.00 61.00 58.89 2jla s PRO 173 Cb -0.15 -2.72 0.73 0.00 0.02 0.00 0.00 34.50 32.38 2jla s PRO 173 CO 0.08 -1.17 1.81 -0.07 -0.33 0.00 0.00 177.00 177.32 2jla h LEU 174 N 6.48 0.00 -9.69 -5.54 3.38 -1.93 -2.95 115.31 105.06 2jla h LEU 174 Ca -0.01 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.42 2jla h LEU 174 Cb 0.90 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.57 2jla h LEU 174 CO 0.57 0.38 -0.60 -0.31 0.09 0.00 0.00 178.44 178.57 2jla s TYR 175 N -4.04 2.88 0.00 1.13 1.51 -1.26 -4.82 117.35 112.75 2jla s TYR 175 Ca -0.02 -0.16 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 2jla s TYR 175 Cb 0.14 -1.30 0.00 0.00 -0.11 0.00 0.00 41.96 40.68 2jla s TYR 175 CO 0.71 0.57 0.00 0.41 -1.11 0.00 0.00 175.55 176.13 2jla n GLY 176 N -0.90 0.84 0.00 0.71 0.00 -1.26 -4.83 105.19 99.75 2jla n GLY 176 Ca -0.07 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2jla n GLY 176 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jla n GLU 177 N -1.46 0.00 -3.88 1.61 1.02 -1.26 -4.93 120.64 111.74 2jla n GLU 177 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2jla n GLU 177 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2jla n GLU 177 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2jla n ASP 179 N 0.00 0.00 -2.28 1.62 5.68 -1.26 -4.49 116.55 115.83 2jla n ASP 179 Ca 0.00 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 53.99 2jla n ASP 179 Cb 0.00 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.10 2jla n ASP 179 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2jla n ASP 180 N 2.63 6.08 -4.72 -1.12 3.85 -1.26 -4.93 116.55 117.08 2jla n ASP 180 Ca 0.00 -3.70 -0.42 0.00 -0.71 0.00 0.00 54.79 49.96 2jla n ASP 180 Cb 0.00 -0.92 -0.03 0.00 -1.35 0.00 0.00 41.12 38.82 2jla n ASP 180 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2jla s THR 181 N -4.15 2.49 -0.23 2.12 2.01 -1.26 -3.18 115.64 113.44 2jla s THR 181 Ca 0.61 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.96 2jla s THR 181 Cb 0.49 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.78 2jla s THR 181 CO 0.04 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 2jla n GLY 182 N 3.72 0.53 0.16 4.40 0.00 -1.26 -4.39 105.19 108.35 2jla n GLY 182 Ca 0.14 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 2jla n GLY 182 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jla h LEU 183 N 0.00 0.66 -1.11 0.99 6.46 -1.92 -2.06 115.31 118.33 2jla h LEU 183 Ca -0.04 -0.75 -0.00 0.00 -0.12 0.00 0.00 57.88 56.97 2jla h LEU 183 Cb 0.31 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 2jla h LEU 183 CO 0.06 1.31 0.51 -1.28 -0.62 0.00 0.00 178.44 178.43 2jla h SER 184 N 0.06 0.99 0.36 1.25 0.87 -1.89 0.17 113.55 115.35 2jla h SER 184 Ca -0.09 -0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.28 2jla h SER 184 Cb 1.42 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 2jla h SER 184 CO 0.14 0.75 -0.58 -0.25 -0.53 0.00 0.00 176.83 176.36 2jla h TRP 185 N 1.14 0.28 -0.19 2.24 7.01 -1.94 -2.95 115.95 121.55 2jla h TRP 185 Ca 0.30 -0.10 -0.19 0.00 2.11 0.00 0.00 58.89 61.01 2jla h TRP 185 Cb -0.06 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 26.95 2jla h TRP 185 CO 0.00 0.75 -0.64 1.96 -2.79 0.00 0.00 178.44 177.72 2jla h GLN 186 N 0.17 0.69 0.00 2.65 4.20 -0.77 -3.27 115.11 118.78 2jla h GLN 186 Ca -0.00 -0.49 -0.03 0.00 0.06 0.00 0.00 58.65 58.19 2jla h GLN 186 Cb 1.07 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.92 2jla h GLN 186 CO 0.09 1.11 -0.13 1.96 -0.67 0.00 0.00 178.83 181.19 2jla h GLN 187 N 0.50 0.00 0.00 1.46 4.20 -0.81 -2.43 115.11 118.03 2jla h GLN 187 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2jla h GLN 187 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2jla h GLN 187 CO 0.13 0.13 0.16 0.54 -0.67 0.00 0.00 178.83 179.13 2jla n ARG 188 N -3.46 0.07 0.00 1.46 1.74 -1.15 0.21 116.66 115.53 2jla n ARG 188 Ca -0.01 0.51 0.14 0.00 -0.77 0.00 0.00 57.85 57.72 2jla n ARG 188 Cb 0.30 -1.88 0.54 0.00 -1.02 0.00 0.00 32.46 30.40 2jla n ARG 188 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2jla n LEU 189 N -1.83 1.06 0.00 0.55 4.77 -0.91 -4.98 117.00 115.66 2jla n LEU 189 Ca -0.01 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 2jla n LEU 189 Cb 0.18 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2jla n LEU 189 CO 0.04 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2jla n GLY 190 N 1.22 1.48 0.00 -0.72 0.00 0.13 -2.84 105.19 104.47 2jla n GLY 190 Ca 0.17 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.77 2jla n GLY 190 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jla n ASP 191 N -2.16 0.00 -0.30 1.61 5.68 -1.26 -3.05 116.55 117.07 2jla n ASP 191 Ca 0.00 -0.71 0.25 0.00 -0.50 0.00 0.00 54.79 53.83 2jla n ASP 191 Cb 0.00 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 40.54 2jla n ASP 191 CO 0.00 0.00 0.00 -0.25 -1.33 0.00 0.00 177.20 175.62 2jla h TRP 192 N 0.00 0.48 -0.03 2.11 7.01 -1.92 -0.03 115.95 123.57 2jla h TRP 192 Ca 0.00 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.03 2jla h TRP 192 Cb 0.00 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 26.92 2jla h TRP 192 CO 0.00 0.06 0.11 -1.49 -2.79 0.00 0.00 178.44 174.33 2jla h TRP 193 N 0.30 0.00 -0.01 2.65 4.06 -1.76 -0.68 115.95 120.51 2jla h TRP 193 Ca 0.55 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.50 2jla h TRP 193 Cb 1.58 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.74 2jla h TRP 193 CO -0.00 0.00 -0.52 1.04 -3.56 0.00 0.00 178.44 175.40 2jla n GLN 194 N -3.24 1.57 -1.36 0.49 3.00 -0.06 -5.00 117.38 112.79 2jla n GLN 194 Ca -0.02 -0.53 -0.29 0.00 -0.01 0.00 0.00 57.00 56.14 2jla n GLN 194 Cb 0.19 -1.30 0.13 0.00 0.00 0.00 0.00 30.24 29.26 2jla n GLN 194 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2jla s ASP 195 N -2.22 3.55 0.00 1.08 3.68 -0.26 -4.99 116.67 117.50 2jla s ASP 195 Ca 0.11 1.26 0.00 0.00 2.13 0.00 0.00 52.55 56.06 2jla s ASP 195 Cb 0.13 -1.93 0.00 0.00 -1.45 0.00 0.00 42.92 39.67 2jla s ASP 195 CO 0.53 -2.56 0.33 -0.90 0.13 0.00 0.00 175.17 172.70 2jla n ASP 196 N -3.81 0.66 -4.91 -0.34 5.68 -1.26 -5.02 116.55 107.54 2jla n ASP 196 Ca 0.06 -0.96 -0.20 0.00 -0.50 0.00 0.00 54.79 53.19 2jla n ASP 196 Cb 0.57 0.04 -0.02 0.00 -1.14 0.00 0.00 41.12 40.56 2jla n ASP 196 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2jla s LYS 197 N -0.04 2.79 0.83 0.11 -2.85 -1.26 -4.76 119.74 114.57 2jla s LYS 197 Ca 0.00 -1.27 -0.11 0.00 -1.00 0.00 0.00 55.97 53.59 2jla s LYS 197 Cb 0.00 -2.58 0.09 0.00 -2.06 0.00 0.00 37.83 33.28 2jla s LYS 197 CO 0.00 -0.03 1.12 -2.14 0.10 0.00 0.00 175.35 174.40 2jla s PRO 198 N -4.12 1.72 -0.01 1.78 0.02 -1.26 -4.89 135.00 128.23 2jla s PRO 198 Ca 0.46 1.36 -0.25 0.00 0.02 0.00 0.00 61.00 62.59 2jla s PRO 198 Cb -0.07 -1.82 -0.18 0.00 0.02 0.00 0.00 34.50 32.45 2jla s PRO 198 CO 0.29 -2.08 1.21 2.35 -0.33 0.00 0.00 177.00 178.44 2jla h TRP 199 N -1.41 -0.18 -3.65 6.54 2.91 -1.95 -3.40 115.95 114.81 2jla h TRP 199 Ca -0.43 -0.00 -0.65 0.00 1.13 0.00 0.00 58.89 58.93 2jla h TRP 199 Cb 1.25 0.06 -0.22 0.00 -0.51 0.00 0.00 29.16 29.73 2jla h TRP 199 CO 0.54 0.22 -0.61 -1.17 -1.03 0.00 0.00 178.44 176.38 2jla s LEU 200 N -9.34 3.55 -0.34 0.65 0.20 -1.26 -5.08 118.68 107.06 2jla s LEU 200 Ca -0.15 -0.26 -0.15 0.00 0.69 0.00 0.00 54.13 54.27 2jla s LEU 200 Cb 0.02 -1.94 -0.01 0.00 -0.43 0.00 0.00 46.19 43.83 2jla s LEU 200 CO 0.59 -0.06 0.33 0.00 -0.29 0.00 0.00 176.35 176.92 2jla s ARG 201 N 1.62 3.52 -0.31 1.98 1.70 -1.26 -4.69 118.95 121.50 2jla s ARG 201 Ca 0.06 -0.50 -0.02 0.00 -0.47 0.00 0.00 55.73 54.80 2jla s ARG 201 Cb -0.15 -3.81 0.11 0.00 -0.57 0.00 0.00 34.95 30.52 2jla s ARG 201 CO 0.04 -0.52 0.14 -2.00 -1.08 0.00 0.00 175.30 171.88 2jla s GLU 202 N 1.93 0.44 -0.40 3.89 2.12 -1.26 -5.05 118.70 120.37 2jla s GLU 202 Ca 0.10 -0.86 0.11 0.00 0.36 0.00 0.00 54.97 54.67 2jla s GLU 202 Cb -0.17 -1.46 0.33 0.00 0.26 0.00 0.00 34.13 33.09 2jla s GLU 202 CO 0.11 -1.04 0.71 0.00 -0.54 0.00 0.00 175.26 174.50 2jla n ALA 203 N 4.89 2.36 -1.78 6.30 0.00 -1.26 -3.13 120.51 127.89 2jla n ALA 203 Ca -0.02 -3.54 -0.36 0.00 0.00 0.00 0.00 53.44 49.52 2jla n ALA 203 Cb 0.41 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 2jla n ALA 203 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jla s PRO 204 N -2.29 3.94 0.03 0.00 0.04 -1.26 -5.01 135.00 130.45 2jla s PRO 204 Ca 0.40 1.52 -0.09 0.00 0.04 0.00 0.00 61.00 62.87 2jla s PRO 204 Cb 0.31 -2.36 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2jla s PRO 204 CO -0.09 -0.34 0.34 1.03 0.04 0.00 0.00 177.00 177.98 2jla s ARG 205 N -2.79 3.70 -0.22 4.56 0.52 -1.26 -4.96 118.95 118.49 2jla s ARG 205 Ca 0.62 0.10 -0.00 0.00 -0.52 0.00 0.00 55.73 55.93 2jla s ARG 205 Cb -0.22 -3.07 0.02 0.00 0.52 0.00 0.00 34.95 32.21 2jla s ARG 205 CO 0.27 0.62 -0.12 -1.17 0.02 0.00 0.00 175.30 174.92 2jla s LEU 206 N -1.69 2.76 -0.03 2.53 2.96 -1.26 -5.10 118.68 118.85 2jla s LEU 206 Ca 0.29 -0.80 -0.10 0.00 -0.22 0.00 0.00 54.13 53.30 2jla s LEU 206 Cb -0.14 -1.58 0.02 0.00 0.50 0.00 0.00 46.19 44.98 2jla s LEU 206 CO 0.16 -0.07 0.23 -1.61 -1.32 0.00 0.00 176.35 173.74 2jla s GLU 207 N 1.30 0.48 0.58 1.98 2.02 -1.26 -4.81 118.70 118.99 2jla s GLU 207 Ca 0.02 -0.09 -0.16 0.00 0.02 0.00 0.00 54.97 54.76 2jla s GLU 207 Cb -0.15 0.21 -0.05 0.00 0.10 0.00 0.00 34.13 34.25 2jla s GLU 207 CO -0.08 -0.11 1.04 -1.12 0.02 0.00 0.00 175.26 175.01 2jla s SER 208 N -0.88 5.98 0.61 -0.19 0.01 -0.41 -4.96 113.70 113.86 2jla s SER 208 Ca -0.10 1.75 -0.12 0.00 1.31 0.00 0.00 55.95 58.79 2jla s SER 208 Cb -0.05 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 2jla s SER 208 CO 0.02 -1.03 1.03 -1.61 0.41 0.00 0.00 173.24 172.06 2jla s GLU 209 N -4.11 3.57 -0.01 12.44 2.02 -1.26 -4.97 118.70 126.38 2jla s GLU 209 Ca 0.62 0.83 -0.36 0.00 0.02 0.00 0.00 54.97 56.08 2jla s GLU 209 Cb -0.14 -2.08 -0.14 0.00 0.10 0.00 0.00 34.13 31.86 2jla s GLU 209 CO 0.36 -0.59 1.62 1.17 0.02 0.00 0.00 175.26 177.84 2jla n LYS 210 N -2.56 1.69 -2.39 1.61 0.00 -1.26 -4.91 118.16 110.34 2jla n LYS 210 Ca 0.06 0.61 -0.43 0.00 0.00 0.00 0.00 58.31 58.56 2jla n LYS 210 Cb 0.54 -2.35 -0.02 0.00 0.00 0.00 0.00 35.03 33.20 2jla n LYS 210 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2jla s GLN 211 N 2.10 3.55 0.00 1.64 -1.52 -1.26 -4.88 119.66 119.29 2jla s GLN 211 Ca 0.88 0.80 0.24 0.00 -1.95 0.00 0.00 55.36 55.33 2jla s GLN 211 Cb -0.83 -4.03 0.97 0.00 -0.22 0.00 0.00 33.01 28.90 2jla s GLN 211 CO 0.49 -1.60 1.68 0.54 -0.25 0.00 0.00 175.29 176.14 2jla n ARG 212 N 8.14 1.59 -0.25 2.91 1.74 -1.26 -2.70 116.66 126.83 2jla n ARG 212 Ca 0.15 -0.87 0.07 0.00 -0.77 0.00 0.00 57.85 56.43 2jla n ARG 212 Cb 0.48 -1.42 0.18 0.00 -1.02 0.00 0.00 32.46 30.68 2jla n ARG 212 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2jla n ASP 213 N 0.08 3.10 -0.29 0.55 5.75 -1.26 -4.71 116.55 119.77 2jla n ASP 213 Ca 0.17 -2.64 0.01 0.00 -0.01 0.00 0.00 54.79 52.33 2jla n ASP 213 Cb 0.30 -0.37 0.14 0.00 -1.03 0.00 0.00 41.12 40.16 2jla n ASP 213 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 2jla h TRP 214 N 1.28 0.87 -0.04 2.11 -0.00 -1.93 -2.13 115.95 116.11 2jla h TRP 214 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.89 2jla h TRP 214 Cb 1.05 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.16 29.94 2jla h TRP 214 CO 0.27 0.40 -0.09 0.74 -0.00 0.00 0.00 178.44 179.76 2jla h PHE 215 N 0.84 0.06 0.07 2.65 -1.00 -1.85 0.11 116.94 117.81 2jla h PHE 215 Ca 0.37 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.14 2jla h PHE 215 Cb 0.26 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.80 2jla h PHE 215 CO -0.05 0.15 -0.03 0.35 -1.61 0.00 0.00 178.31 177.11 2jla h PHE 216 N 0.06 -0.08 -0.42 -0.55 3.04 -1.83 -3.37 116.94 113.78 2jla h PHE 216 Ca 0.01 -0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.82 2jla h PHE 216 Cb 0.20 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 2jla h PHE 216 CO 0.00 0.33 -0.28 -1.49 -2.02 0.00 0.00 178.31 174.85 2jla h TRP 217 N -0.52 1.05 0.00 0.41 4.06 -0.55 -3.09 115.95 117.31 2jla h TRP 217 Ca -0.01 -0.27 0.00 0.00 2.06 0.00 0.00 58.89 60.67 2jla h TRP 217 Cb 0.45 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 28.37 2jla h TRP 217 CO 0.07 1.07 0.01 2.89 -3.56 0.00 0.00 178.44 178.91 2jla n ARG 218 N -4.09 0.00 0.00 0.49 1.85 0.24 -0.93 116.66 114.22 2jla n ARG 218 Ca -0.01 0.24 0.07 0.00 -1.00 0.00 0.00 57.85 57.15 2jla n ARG 218 Cb 0.48 -1.51 -0.07 0.00 -1.05 0.00 0.00 32.46 30.32 2jla n ARG 218 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2jla n GLN 219 N -1.23 2.14 -1.76 2.89 6.02 -1.17 -4.88 117.38 119.39 2jla n GLN 219 Ca 0.00 -0.14 -0.29 0.00 -0.01 0.00 0.00 57.00 56.56 2jla n GLN 219 Cb 0.01 -1.19 0.13 0.00 1.02 0.00 0.00 30.24 30.20 2jla n GLN 219 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2jla s LYS 220 N -2.27 1.28 -0.77 -1.09 -0.14 -0.11 -4.95 119.74 111.70 2jla s LYS 220 Ca 0.07 0.04 -0.26 0.00 -1.36 0.00 0.00 55.97 54.46 2jla s LYS 220 Cb 0.11 -1.88 0.01 0.00 -1.68 0.00 0.00 37.83 34.39 2jla s LYS 220 CO 0.56 -2.05 1.57 1.03 -0.76 0.00 0.00 175.35 175.69 2jla s ARG 221 N -5.55 3.00 0.28 1.68 0.52 -1.26 -4.96 118.95 112.66 2jla s ARG 221 Ca 0.66 -0.13 0.07 0.00 -0.52 0.00 0.00 55.73 55.80 2jla s ARG 221 Cb -0.10 -4.54 -0.03 0.00 0.52 0.00 0.00 34.95 30.79 2jla s ARG 221 CO 0.51 -2.49 0.29 0.20 0.02 0.00 0.00 175.30 173.84 2jla s GLY 222 N 5.81 1.45 -0.06 -3.53 0.00 -1.26 0.14 107.32 109.87 2jla s GLY 222 Ca 0.51 -1.42 0.03 0.00 0.00 0.00 0.00 44.72 43.84 2jla s GLY 222 CO 0.11 -1.42 -0.14 0.14 0.00 0.00 0.00 173.10 171.79 2jla s VAL 223 N -2.13 1.24 -0.30 1.40 1.01 -0.75 -4.20 120.40 116.66 2jla s VAL 223 Ca 0.36 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 2jla s VAL 223 Cb -0.08 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2jla s VAL 223 CO 0.27 0.37 0.23 -0.69 0.00 0.00 0.00 175.10 175.28 2jla s VAL 224 N 0.48 5.28 -0.21 2.92 1.01 -0.31 -1.16 120.40 128.41 2jla s VAL 224 Ca -0.12 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 2jla s VAL 224 Cb -0.15 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2jla s VAL 224 CO 0.04 0.15 0.04 -0.69 0.00 0.00 0.00 175.10 174.64 2jla s VAL 225 N 1.79 4.29 -0.16 2.92 1.01 -0.71 -0.25 120.40 129.30 2jla s VAL 225 Ca 0.08 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2jla s VAL 225 Cb -0.16 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.27 2jla s VAL 225 CO 0.11 0.41 -0.21 0.00 0.00 0.00 0.00 175.10 175.40 2jla s ALA 226 N 1.02 2.27 0.00 5.51 0.00 -0.45 -0.01 121.76 130.10 2jla s ALA 226 Ca 0.03 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2jla s ALA 226 Cb -0.14 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.91 2jla s ALA 226 CO 0.02 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.03 2jla n GLY 227 N 4.30 3.91 3.77 0.00 0.00 0.31 -1.47 105.19 116.01 2jla n GLY 227 Ca -0.20 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 2jla n GLY 227 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jla s ARG 228 N 3.43 4.30 0.51 1.61 3.52 -0.68 -3.54 118.95 128.09 2jla s ARG 228 Ca 0.00 2.30 -0.06 0.00 -0.13 0.00 0.00 55.73 57.83 2jla s ARG 228 Cb 0.00 -3.05 -0.03 0.00 -1.56 0.00 0.00 34.95 30.30 2jla s ARG 228 CO 0.00 -0.28 0.84 -1.54 -0.81 0.00 0.00 175.30 173.51 2jla s SER 230 N -0.33 6.23 0.42 -2.12 1.04 -1.26 -3.92 113.70 113.75 2jla s SER 230 Ca 0.51 1.01 0.10 0.00 0.48 0.00 0.00 55.95 58.04 2jla s SER 230 Cb -0.41 -2.26 0.89 0.00 0.10 0.00 0.00 66.02 64.34 2jla s SER 230 CO 0.54 -0.66 2.01 0.00 0.98 0.00 0.00 173.24 176.11 2jla h ALA 231 N 0.10 1.66 -0.21 5.32 0.00 -1.88 -0.67 119.26 123.59 2jla h ALA 231 Ca -0.46 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.16 2jla h ALA 231 Cb 1.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2jla h ALA 231 CO 0.62 0.26 -0.60 0.93 0.00 0.00 0.00 179.25 180.46 2jla h GLU 232 N 0.31 0.69 -0.42 0.00 4.39 -1.94 -3.17 114.58 114.44 2jla h GLU 232 Ca 0.08 -0.46 -0.05 0.00 0.34 0.00 0.00 59.36 59.26 2jla h GLU 232 Cb 0.15 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2jla h GLU 232 CO -0.00 1.09 0.03 0.93 -1.16 0.00 0.00 179.01 179.90 2jla h GLU 233 N 0.52 0.66 -0.25 2.33 5.08 -1.60 -2.59 114.58 118.72 2jla h GLU 233 Ca -0.00 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2jla h GLU 233 Cb 1.18 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 2jla h GLU 233 CO 0.12 0.65 0.07 0.78 -1.00 0.00 0.00 179.01 179.63 2jla h GLY 234 N 0.90 0.30 1.00 -3.84 0.00 -1.15 -1.03 103.07 99.25 2jla h GLY 234 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2jla h GLY 234 CO 0.01 0.01 0.25 0.50 0.00 0.00 0.00 176.54 177.31 2jla h LYS 235 N 0.17 0.50 -0.21 4.80 1.57 -1.51 -2.11 116.57 119.78 2jla h LYS 235 Ca 0.11 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2jla h LYS 235 Cb 0.10 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2jla h LYS 235 CO -0.14 0.33 0.12 0.87 -0.57 0.00 0.00 179.45 180.07 2jla h LYS 236 N 0.51 0.29 -0.77 3.15 1.57 -1.21 -1.81 116.57 118.30 2jla h LYS 236 Ca 0.14 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2jla h LYS 236 Cb -0.05 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 2jla h LYS 236 CO -0.03 0.24 0.51 0.28 -0.57 0.00 0.00 179.45 179.87 2jla h VAL 237 N 0.25 1.16 0.30 0.50 2.07 -1.08 -0.97 116.25 118.48 2jla h VAL 237 Ca 0.08 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2jla h VAL 237 Cb 0.03 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 2jla h VAL 237 CO -0.01 0.18 -0.15 0.00 0.02 0.00 0.00 177.57 177.61 2jla h ALA 238 N 1.54 -0.41 -1.02 1.67 0.00 -1.06 -0.95 119.26 119.03 2jla h ALA 238 Ca 0.29 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 55.31 2jla h ALA 238 Cb -0.04 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 17.80 2jla h ALA 238 CO -0.07 -0.65 0.63 -0.07 0.00 0.00 0.00 179.25 179.09 2jla h LEU 239 N -0.56 0.58 0.12 0.00 -0.00 -0.98 -1.46 115.31 113.01 2jla h LEU 239 Ca -0.04 0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 2jla h LEU 239 Cb 0.41 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 2jla h LEU 239 CO 0.07 0.13 -0.06 -0.25 -0.00 0.00 0.00 178.44 178.33 2jla h TRP 240 N 0.52 -0.15 -0.52 1.13 7.01 -0.98 -2.06 115.95 120.90 2jla h TRP 240 Ca 0.61 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.63 2jla h TRP 240 Cb 1.30 0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 28.37 2jla h TRP 240 CO -0.00 0.33 0.31 0.00 -2.79 0.00 0.00 178.44 176.29 2jla h ALA 241 N -0.20 0.67 0.03 2.65 0.00 -1.06 -1.49 119.26 119.86 2jla h ALA 241 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2jla h ALA 241 Cb 0.55 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2jla h ALA 241 CO 0.03 0.03 -0.14 0.37 0.00 0.00 0.00 179.25 179.53 2jla h GLN 242 N 0.63 -0.25 -0.55 0.00 4.15 -1.33 -1.12 115.11 116.65 2jla h GLN 242 Ca 0.21 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.72 2jla h GLN 242 Cb 0.02 0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.70 2jla h GLN 242 CO -0.09 -0.16 0.22 1.15 -1.93 0.00 0.00 178.83 178.01 2jla h THR 243 N -0.26 0.84 0.00 2.39 2.02 -0.98 -0.70 112.91 116.22 2jla h THR 243 Ca 0.04 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2jla h THR 243 Cb 0.30 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 2jla h THR 243 CO -0.12 0.08 0.00 -0.07 0.37 0.00 0.00 175.52 175.78 2jla h LEU 244 N 0.42 0.00 0.75 2.58 3.38 -0.89 -0.78 115.31 120.78 2jla h LEU 244 Ca 0.26 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.11 2jla h LEU 244 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2jla h LEU 244 CO -0.24 0.00 -0.15 0.61 0.09 0.00 0.00 178.44 178.75 2jla n GLY 245 N -0.37 0.29 3.81 0.83 0.00 -0.27 -4.39 105.19 105.09 2jla n GLY 245 Ca -0.00 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 2jla n GLY 245 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jla s TRP 246 N -2.29 3.42 0.47 1.61 0.52 -0.90 -2.40 118.94 119.36 2jla s TRP 246 Ca 0.00 0.36 -0.24 0.00 0.02 0.00 0.00 56.10 56.24 2jla s TRP 246 Cb 0.00 -1.85 -0.07 0.00 -1.15 0.00 0.00 33.47 30.40 2jla s TRP 246 CO 0.00 0.62 1.37 -1.25 0.02 0.00 0.00 176.95 177.71 2jla s PRO 247 N -1.22 3.61 -0.30 4.98 0.04 -1.26 -4.50 135.00 136.34 2jla s PRO 247 Ca 0.17 2.28 -0.01 0.00 0.04 0.00 0.00 61.00 63.48 2jla s PRO 247 Cb -0.12 -2.56 0.05 0.00 0.04 0.00 0.00 34.50 31.91 2jla s PRO 247 CO 0.07 -0.83 0.00 -1.17 0.04 0.00 0.00 177.00 175.11 2jla s LEU 248 N -2.88 3.94 -0.43 -3.56 2.96 -1.26 -1.17 118.68 116.29 2jla s LEU 248 Ca 0.63 -1.34 -0.23 0.00 -0.22 0.00 0.00 54.13 52.98 2jla s LEU 248 Cb -0.41 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.60 2jla s LEU 248 CO 0.51 -0.27 0.75 -0.63 -1.32 0.00 0.00 176.35 175.40 2jla s ILE 249 N 1.23 4.70 -0.18 6.68 1.01 0.65 -4.31 121.20 130.98 2jla s ILE 249 Ca -0.05 0.46 -0.01 0.00 0.00 0.00 0.00 60.65 61.06 2jla s ILE 249 Cb -0.20 -4.27 -0.00 0.00 0.01 0.00 0.00 42.46 38.00 2jla s ILE 249 CO -0.02 -0.63 -0.13 -0.83 0.00 0.00 0.00 174.94 173.33 2jla s GLY 250 N 2.05 1.50 0.61 6.18 0.00 -1.26 -1.34 107.32 115.06 2jla s GLY 250 Ca 0.29 -1.10 -0.13 0.00 0.00 0.00 0.00 44.72 43.78 2jla s GLY 250 CO 0.21 0.17 1.03 -0.35 0.00 0.00 0.00 173.10 174.16 2jla s ASP 251 N 1.06 6.04 0.46 1.64 2.15 -0.54 -4.82 116.67 122.65 2jla s ASP 251 Ca -0.00 1.56 0.31 0.00 0.43 0.00 0.00 52.55 54.84 2jla s ASP 251 Cb -0.15 -2.49 1.41 0.00 -0.30 0.00 0.00 42.92 41.39 2jla s ASP 251 CO -0.03 -0.99 1.67 -0.37 -0.17 0.00 0.00 175.17 175.27 2jla h VAL 252 N -0.05 0.22 -0.00 1.11 -1.51 -1.90 -0.78 116.25 113.34 2jla h VAL 252 Ca -0.45 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 2jla h VAL 252 Cb 1.20 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 2jla h VAL 252 CO 0.60 0.02 -0.18 0.18 -1.23 0.00 0.00 177.57 176.97 2jla n LEU 253 N -4.54 0.35 0.14 4.19 4.77 -1.26 -4.24 117.00 116.40 2jla n LEU 253 Ca 0.34 0.14 0.04 0.00 -0.03 0.00 0.00 56.01 56.51 2jla n LEU 253 Cb 1.37 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 42.20 2jla n LEU 253 CO 0.26 0.07 0.41 0.77 -1.33 0.00 0.00 177.39 177.58 2jla h SER 254 N 0.27 0.00 -1.53 -1.43 4.64 -1.18 -3.41 113.55 110.91 2jla h SER 254 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 2jla h SER 254 Cb 0.43 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.44 2jla h SER 254 CO 0.00 0.42 -0.21 0.00 -0.87 0.00 0.00 176.83 176.17 2jla n GLN 255 N -3.15 -1.27 0.16 4.77 3.00 -1.26 -3.84 117.38 115.79 2jla n GLN 255 Ca 0.01 0.65 0.13 0.00 -0.01 0.00 0.00 57.00 57.78 2jla n GLN 255 Cb 0.71 -4.87 0.54 0.00 0.00 0.00 0.00 30.24 26.63 2jla n GLN 255 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 2jla h THR 256 N 0.00 0.00 0.00 5.09 1.35 -1.86 0.92 112.91 118.41 2jla h THR 256 Ca -0.23 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2jla h THR 256 Cb 0.74 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2jla h THR 256 CO 0.33 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 2jla n GLY 257 N -0.09 0.51 3.42 5.82 0.00 -1.25 -4.60 105.19 109.00 2jla n GLY 257 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 2jla n GLY 257 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jla n GLN 258 N -2.00 -1.67 0.00 1.61 6.02 -1.26 -4.59 117.38 115.49 2jla n GLN 258 Ca 0.00 1.26 0.16 0.00 -0.01 0.00 0.00 57.00 58.41 2jla n GLN 258 Cb 0.00 -3.60 0.91 0.00 1.02 0.00 0.00 30.24 28.57 2jla n GLN 258 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2jla n PRO 259 N -1.64 1.04 -3.46 -1.09 -0.04 -1.26 -3.33 135.00 125.21 2jla n PRO 259 Ca -0.14 -0.08 -0.26 0.00 -0.04 0.00 0.00 63.50 62.98 2jla n PRO 259 Cb 0.61 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.48 2jla n PRO 259 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jla n LEU 260 N -0.91 1.46 -4.70 1.53 4.77 -1.26 -5.01 117.00 112.87 2jla n LEU 260 Ca 0.23 -4.89 -0.30 0.00 -0.03 0.00 0.00 56.01 51.02 2jla n LEU 260 Cb 0.13 -0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.37 2jla n LEU 260 CO 0.18 1.94 0.66 -2.16 -1.33 0.00 0.00 177.39 176.68 2jla s PRO 261 N -1.20 1.17 -1.35 3.23 0.04 -1.21 -4.03 135.00 131.65 2jla s PRO 261 Ca 0.33 0.93 -0.04 0.00 0.04 0.00 0.00 61.00 62.27 2jla s PRO 261 Cb 0.08 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.83 2jla s PRO 261 CO -0.13 -2.33 0.49 0.00 0.04 0.00 0.00 177.00 175.08 2jla h ALA 263 N 0.86 1.54 -0.27 0.00 0.00 -1.82 0.13 119.26 119.71 2jla h ALA 263 Ca -0.45 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.54 2jla h ALA 263 Cb 1.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2jla h ALA 263 CO 0.49 0.23 0.32 0.22 0.00 0.00 0.00 179.25 180.51 2jla h ASP 264 N 0.98 0.00 0.00 0.00 1.82 -1.86 0.20 116.42 117.56 2jla h ASP 264 Ca 0.48 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 57.11 2jla h ASP 264 Cb 0.46 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.47 2jla h ASP 264 CO -0.24 0.00 -0.39 -0.07 -1.61 0.00 0.00 179.24 176.93 2jla h LEU 265 N 0.00 0.00 -1.39 2.28 3.38 -1.09 -3.40 115.31 115.09 2jla h LEU 265 Ca 0.13 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2jla h LEU 265 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2jla h LEU 265 CO -0.00 0.71 -0.22 4.11 0.09 0.00 0.00 178.44 183.13 2jla h TRP 266 N -1.00 0.00 0.00 1.13 5.08 -0.80 -1.83 115.95 118.54 2jla h TRP 266 Ca -0.01 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.96 2jla h TRP 266 Cb 0.40 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.56 2jla h TRP 266 CO -0.16 0.22 -0.00 -0.07 -1.28 0.00 0.00 178.44 177.15 2jla h LEU 267 N 0.00 0.00 0.00 0.11 3.38 -0.87 -2.00 115.31 115.93 2jla h LEU 267 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jla h LEU 267 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2jla h LEU 267 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2jla n GLY 268 N -0.77 -1.37 3.70 0.83 0.00 -0.69 -4.65 105.19 102.25 2jla n GLY 268 Ca -0.02 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 2jla n GLY 268 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jla s ASN 269 N -2.83 6.65 0.32 1.61 3.84 -0.75 -4.73 114.94 119.06 2jla s ASN 269 Ca 0.19 0.78 0.01 0.00 0.21 0.00 0.00 52.86 54.05 2jla s ASN 269 Cb 0.19 -2.29 0.57 0.00 -0.55 0.00 0.00 41.25 39.17 2jla s ASN 269 CO 0.48 -0.06 1.96 0.00 -2.79 0.00 0.00 177.10 176.69 2jla h ALA 270 N 6.97 1.53 -0.82 1.71 0.00 -1.86 -2.03 119.26 124.75 2jla h ALA 270 Ca -0.38 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.51 2jla h ALA 270 Cb 1.17 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 2jla h ALA 270 CO 0.75 0.40 0.54 0.87 0.00 0.00 0.00 179.25 181.80 2jla h LYS 271 N 0.96 1.03 -0.32 0.00 1.57 -1.93 -1.47 116.57 116.42 2jla h LYS 271 Ca 0.31 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2jla h LYS 271 Cb 0.03 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2jla h LYS 271 CO -0.09 0.68 0.15 0.00 -0.57 0.00 0.00 179.45 179.63 2jla h ALA 272 N 1.33 0.41 -0.30 3.86 0.00 -1.62 -2.41 119.26 120.53 2jla h ALA 272 Ca 0.32 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 2jla h ALA 272 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2jla h ALA 272 CO -0.10 -0.03 -0.24 1.79 0.00 0.00 0.00 179.25 180.68 2jla h THR 273 N 0.38 1.30 -0.37 0.00 1.35 -1.15 -2.24 112.91 112.17 2jla h THR 273 Ca 0.11 -1.39 -0.07 0.00 -0.55 0.00 0.00 66.41 64.52 2jla h THR 273 Cb 0.12 1.53 -0.02 0.00 -1.73 0.00 0.00 68.15 68.06 2jla h THR 273 CO -0.01 0.44 -0.05 0.77 -0.25 0.00 0.00 175.52 176.42 2jla h SER 274 N 0.43 0.57 0.11 5.36 4.64 -1.34 -1.34 113.55 121.98 2jla h SER 274 Ca 0.05 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.19 2jla h SER 274 Cb 0.79 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 2jla h SER 274 CO 0.06 0.68 -0.19 -0.08 -0.87 0.00 0.00 176.83 176.43 2jla h GLU 275 N 0.56 0.16 0.00 4.77 4.81 -1.31 -2.44 114.58 121.13 2jla h GLU 275 Ca 0.11 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2jla h GLU 275 Cb 0.43 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2jla h GLU 275 CO 0.02 0.35 0.00 1.28 -0.73 0.00 0.00 179.01 179.93 2jla n LEU 276 N -4.25 0.35 0.08 1.64 4.77 -0.61 -2.93 117.00 116.05 2jla n LEU 276 Ca -0.01 0.53 0.09 0.00 -0.03 0.00 0.00 56.01 56.59 2jla n LEU 276 Cb 0.29 -0.42 0.40 0.00 -2.33 0.00 0.00 43.42 41.36 2jla n LEU 276 CO 0.38 -0.08 0.78 0.00 -1.33 0.00 0.00 177.39 177.14 2jla n GLN 277 N -1.83 0.11 0.00 3.23 6.02 -0.61 -2.41 117.38 121.89 2jla n GLN 277 Ca 0.06 0.38 0.12 0.00 -0.01 0.00 0.00 57.00 57.56 2jla n GLN 277 Cb 0.38 -1.72 0.33 0.00 1.02 0.00 0.00 30.24 30.25 2jla n GLN 277 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jla n GLN 278 N -1.92 0.03 -1.59 -1.09 6.02 -1.15 -4.87 117.38 112.81 2jla n GLN 278 Ca 0.02 -0.01 -0.48 0.00 -0.01 0.00 0.00 57.00 56.52 2jla n GLN 278 Cb 0.18 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.89 2jla n GLN 278 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jla n ALA 279 N -1.47 1.20 0.09 -1.58 0.00 -1.01 -4.78 120.51 112.95 2jla n ALA 279 Ca 0.06 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 2jla n ALA 279 Cb 0.34 -2.63 -0.10 0.00 0.00 0.00 0.00 19.45 17.05 2jla n ALA 279 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2jla h GLN 280 N 11.81 0.22 -3.98 0.00 4.20 0.85 -3.41 115.11 124.80 2jla h GLN 280 Ca -0.40 -0.34 -0.20 0.00 0.06 0.00 0.00 58.65 57.77 2jla h GLN 280 Cb 1.28 0.12 -0.23 0.00 0.30 0.00 0.00 27.48 28.94 2jla h GLN 280 CO 0.97 1.12 -0.71 -1.50 -0.67 0.00 0.00 178.83 178.05 2jla s ILE 281 N -2.82 0.13 -0.15 2.54 2.07 -1.07 -1.44 121.20 120.47 2jla s ILE 281 Ca -0.03 -0.63 0.02 0.00 -1.41 0.00 0.00 60.65 58.59 2jla s ILE 281 Cb 0.08 -0.23 0.01 0.00 0.13 0.00 0.00 42.46 42.46 2jla s ILE 281 CO 0.86 -0.32 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.68 2jla s VAL 282 N -0.97 1.95 -0.40 4.00 1.01 -0.38 -1.80 120.40 123.81 2jla s VAL 282 Ca -0.10 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 60.92 2jla s VAL 282 Cb -0.07 -1.75 0.09 0.00 0.00 0.00 0.00 36.38 34.65 2jla s VAL 282 CO -0.01 0.53 0.20 -0.69 0.00 0.00 0.00 175.10 175.13 2jla s VAL 283 N 1.01 3.66 -0.10 2.92 1.01 -0.31 -0.58 120.40 128.01 2jla s VAL 283 Ca -0.03 -1.68 -0.16 0.00 0.00 0.00 0.00 61.98 60.11 2jla s VAL 283 Cb -0.15 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 2jla s VAL 283 CO -0.06 -0.53 0.41 -1.58 0.00 0.00 0.00 175.10 173.34 2jla s GLN 284 N 1.28 4.20 -0.13 2.72 0.74 -0.27 -1.73 119.66 126.47 2jla s GLN 284 Ca 0.04 0.34 0.02 0.00 0.05 0.00 0.00 55.36 55.80 2jla s GLN 284 Cb -0.23 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.51 2jla s GLN 284 CO -0.01 0.32 -0.19 -0.51 -0.55 0.00 0.00 175.29 174.35 2jla s LEU 285 N 0.13 2.28 0.00 3.68 1.02 0.98 -1.09 118.68 125.68 2jla s LEU 285 Ca 0.23 -0.52 0.00 0.00 0.02 0.00 0.00 54.13 53.85 2jla s LEU 285 Cb -0.15 -1.49 0.00 0.00 0.02 0.00 0.00 46.19 44.57 2jla s LEU 285 CO 0.09 0.11 0.00 0.61 0.02 0.00 0.00 176.35 177.18 2jla n GLY 286 N 3.89 -2.23 0.00 -3.19 0.00 0.51 -0.53 105.19 103.64 2jla n GLY 286 Ca -0.19 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2jla n GLY 286 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jla n SER 287 N 0.17 0.00 -3.45 1.61 3.41 -1.25 -4.54 113.62 109.56 2jla n SER 287 Ca 0.00 -0.64 -0.21 0.00 -0.26 0.00 0.00 58.87 57.76 2jla n SER 287 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 2jla n SER 287 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jla n SER 288 N -0.90 -6.13 -4.77 4.04 7.64 -1.26 -1.69 113.62 110.54 2jla n SER 288 Ca 0.00 -0.76 -0.41 0.00 1.01 0.00 0.00 58.87 58.72 2jla n SER 288 Cb 0.00 -4.13 -0.02 0.00 -1.01 0.00 0.00 64.21 59.06 2jla n SER 288 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jla s LEU 289 N -5.60 4.41 -0.12 -3.43 1.02 -1.26 -4.66 118.68 109.04 2jla s LEU 289 Ca 0.35 2.76 -0.08 0.00 0.02 0.00 0.00 54.13 57.18 2jla s LEU 289 Cb -0.09 -3.65 -0.06 0.00 0.02 0.00 0.00 46.19 42.40 2jla s LEU 289 CO 0.81 -0.60 0.12 0.74 0.02 0.00 0.00 176.35 177.43 2jla h THR 290 N 3.03 0.38 -3.83 5.49 2.02 -1.98 -3.47 112.91 114.56 2jla h THR 290 Ca -0.49 -1.32 -0.50 0.00 0.77 0.00 0.00 66.41 64.87 2jla h THR 290 Cb 1.23 0.75 0.03 0.00 -1.74 0.00 0.00 68.15 68.42 2jla h THR 290 CO 0.65 0.13 0.20 -0.83 0.37 0.00 0.00 175.52 176.05 2jla s GLY 291 N -3.89 1.65 0.05 2.16 0.00 -1.26 -4.93 107.32 101.11 2jla s GLY 291 Ca -0.08 -0.31 -0.23 0.00 0.00 0.00 0.00 44.72 44.10 2jla s GLY 291 CO 0.20 -0.11 1.55 0.50 0.00 0.00 0.00 173.10 175.25 2jla h LYS 292 N 0.31 0.07 -0.96 2.90 1.79 -1.95 -0.69 116.57 118.04 2jla h LYS 292 Ca -0.46 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.01 2jla h LYS 292 Cb 1.20 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.79 2jla h LYS 292 CO 0.62 0.25 0.64 0.00 -1.08 0.00 0.00 179.45 179.88 2jla h ARG 293 N -0.13 1.23 0.19 3.15 -0.00 -1.93 0.71 114.38 117.60 2jla h ARG 293 Ca 0.01 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.98 59.41 2jla h ARG 293 Cb 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 29.97 29.91 2jla h ARG 293 CO -0.00 0.82 -0.09 1.25 0.00 0.00 0.00 179.97 181.94 2jla h LEU 294 N 1.27 -0.22 -0.84 3.04 5.85 -1.87 0.42 115.31 122.96 2jla h LEU 294 Ca 0.37 -0.29 0.14 0.00 0.84 0.00 0.00 57.88 58.94 2jla h LEU 294 Cb -0.09 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 40.91 2jla h LEU 294 CO -0.10 0.22 0.44 -0.07 -0.34 0.00 0.00 178.44 178.59 2jla h LEU 295 N -0.72 0.54 -0.33 2.25 3.38 -0.92 0.57 115.31 120.08 2jla h LEU 295 Ca -0.03 0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 2jla h LEU 295 Cb 0.50 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2jla h LEU 295 CO 0.04 0.24 -0.44 1.56 0.09 0.00 0.00 178.44 179.93 2jla h GLN 296 N 0.64 0.88 -0.45 1.13 4.20 0.49 -1.22 115.11 120.77 2jla h GLN 296 Ca 0.45 -0.51 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 2jla h GLN 296 Cb 0.61 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 2jla h GLN 296 CO -0.35 1.15 -0.24 2.35 -0.67 0.00 0.00 178.83 181.07 2jla h TRP 297 N 0.67 1.11 -0.48 2.96 7.01 0.43 -2.40 115.95 125.24 2jla h TRP 297 Ca 0.04 -0.28 0.00 0.00 2.11 0.00 0.00 58.89 60.75 2jla h TRP 297 Cb 1.05 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.83 2jla h TRP 297 CO 0.07 1.10 0.30 0.37 -2.79 0.00 0.00 178.44 177.49 2jla h GLN 298 N 0.79 0.65 -0.49 2.65 -0.00 0.15 -0.65 115.11 118.20 2jla h GLN 298 Ca 0.10 -0.05 0.01 0.00 -0.00 0.00 0.00 58.65 58.71 2jla h GLN 298 Cb 0.82 -0.14 -0.03 0.00 0.00 0.00 0.00 27.48 28.13 2jla h GLN 298 CO 0.07 0.46 0.31 0.00 0.00 0.00 0.00 178.83 179.67 2jla h ALA 299 N 1.15 0.63 0.00 3.38 0.00 -1.15 -3.21 119.26 120.06 2jla h ALA 299 Ca 0.17 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 2jla h ALA 299 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2jla h ALA 299 CO -0.03 0.03 -0.74 0.66 0.00 0.00 0.00 179.25 179.16 2jla h SER 300 N 0.62 0.00 -3.99 0.00 4.64 -0.96 -3.47 113.55 110.39 2jla h SER 300 Ca 0.19 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.00 2jla h SER 300 Cb -0.02 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.14 2jla h SER 300 CO -0.07 0.66 0.52 0.00 -0.87 0.00 0.00 176.83 177.07 2jla n GLU 302 N -0.41 2.34 -2.54 0.00 1.02 -1.26 -5.02 120.64 114.76 2jla n GLU 302 Ca 0.07 -4.38 -0.33 0.00 -0.02 0.00 0.00 57.16 52.49 2jla n GLU 302 Cb 0.47 -2.04 -0.04 0.00 -0.02 0.00 0.00 31.44 29.81 2jla n GLU 302 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2jla s PRO 303 N -2.65 3.86 0.28 3.49 0.04 -1.26 -4.94 135.00 133.81 2jla s PRO 303 Ca 0.43 1.26 0.02 0.00 0.04 0.00 0.00 61.00 62.74 2jla s PRO 303 Cb 0.22 -2.11 0.65 0.00 0.04 0.00 0.00 34.50 33.31 2jla s PRO 303 CO -0.08 -0.37 1.72 1.49 0.04 0.00 0.00 177.00 179.80 2jla h GLU 304 N 1.47 0.47 -5.24 4.56 4.81 -1.47 -3.40 114.58 115.77 2jla h GLU 304 Ca -0.49 -0.03 -0.43 0.00 -0.13 0.00 0.00 59.36 58.28 2jla h GLU 304 Cb 1.21 -0.11 -0.25 0.00 0.63 0.00 0.00 28.75 30.23 2jla h GLU 304 CO 0.59 0.31 -0.79 -1.21 -0.73 0.00 0.00 179.01 177.18 2jla s GLU 305 N -5.92 0.91 -0.12 1.92 2.02 -1.15 -4.80 118.70 111.55 2jla s GLU 305 Ca -0.12 -0.71 0.01 0.00 0.02 0.00 0.00 54.97 54.17 2jla s GLU 305 Cb 0.24 -0.90 0.02 0.00 0.10 0.00 0.00 34.13 33.58 2jla s GLU 305 CO 0.78 0.22 -0.15 -0.47 0.02 0.00 0.00 175.26 175.67 2jla s TYR 306 N -0.80 2.04 -0.11 1.61 5.04 -1.08 -1.25 117.35 122.80 2jla s TYR 306 Ca 0.01 -1.04 0.01 0.00 -2.44 0.00 0.00 57.07 53.61 2jla s TYR 306 Cb -0.07 -1.49 -0.02 0.00 0.35 0.00 0.00 41.96 40.73 2jla s TYR 306 CO 0.01 -0.55 -0.13 -1.58 -1.34 0.00 0.00 175.55 171.96 2jla s TRP 307 N 1.20 2.80 -0.20 4.97 0.52 0.25 0.11 118.94 128.59 2jla s TRP 307 Ca -0.02 -0.46 -0.01 0.00 0.02 0.00 0.00 56.10 55.63 2jla s TRP 307 Cb -0.14 -1.78 0.01 0.00 -1.15 0.00 0.00 33.47 30.41 2jla s TRP 307 CO -0.05 -0.07 -0.12 0.42 0.02 0.00 0.00 176.95 177.15 2jla s ILE 308 N -0.01 2.65 -0.34 2.03 1.01 -0.36 -1.11 121.20 125.07 2jla s ILE 308 Ca -0.03 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 2jla s ILE 308 Cb -0.14 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.17 2jla s ILE 308 CO 0.04 0.45 0.14 -0.69 0.00 0.00 0.00 174.94 174.89 2jla s VAL 309 N 1.37 4.18 -0.00 2.92 1.01 -0.25 -0.70 120.40 128.93 2jla s VAL 309 Ca 0.05 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 60.90 2jla s VAL 309 Cb -0.14 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 32.98 2jla s VAL 309 CO -0.08 -0.14 0.50 -0.62 0.00 0.00 0.00 175.10 174.76 2jla s ASP 310 N 1.49 -0.42 -0.04 3.32 -1.08 -0.99 -0.36 116.67 118.59 2jla s ASP 310 Ca 0.01 0.31 0.05 0.00 -0.52 0.00 0.00 52.55 52.40 2jla s ASP 310 Cb -0.19 0.45 0.21 0.00 -1.46 0.00 0.00 42.92 41.93 2jla s ASP 310 CO 0.05 -0.60 0.97 -0.90 0.52 0.00 0.00 175.17 175.20 2jla n ASP 311 N 0.83 1.86 -5.00 -0.34 3.85 -0.93 -2.32 116.55 114.50 2jla n ASP 311 Ca -0.19 -2.16 -0.18 0.00 -0.71 0.00 0.00 54.79 51.54 2jla n ASP 311 Cb 0.58 -0.39 0.01 0.00 -1.35 0.00 0.00 41.12 39.96 2jla n ASP 311 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.20 176.46 2jla s ILE 312 N -1.58 3.38 0.36 2.12 -4.36 -1.26 -4.86 121.20 115.00 2jla s ILE 312 Ca 0.15 -0.97 0.07 0.00 -0.26 0.00 0.00 60.65 59.64 2jla s ILE 312 Cb 0.10 -3.15 -0.02 0.00 1.25 0.00 0.00 42.46 40.64 2jla s ILE 312 CO 0.06 -0.06 0.33 -1.61 0.24 0.00 0.00 174.94 173.91 2jla s GLU 313 N -4.31 2.69 0.00 0.37 2.02 -1.26 -4.80 118.70 113.41 2jla s GLU 313 Ca 0.52 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 54.15 2jla s GLU 313 Cb -0.10 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.66 2jla s GLU 313 CO 0.33 -0.00 0.00 0.41 0.02 0.00 0.00 175.26 176.01 2jla n GLY 314 N -1.45 -0.36 3.78 -1.39 0.00 -1.26 -4.94 105.19 99.58 2jla n GLY 314 Ca 0.00 -1.84 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 2jla n GLY 314 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jla s ARG 315 N -1.08 4.31 -0.00 1.61 0.52 -1.26 -4.95 118.95 118.10 2jla s ARG 315 Ca 0.00 1.48 0.00 0.00 -0.52 0.00 0.00 55.73 56.69 2jla s ARG 315 Cb 0.00 -2.65 0.01 0.00 0.52 0.00 0.00 34.95 32.83 2jla s ARG 315 CO 0.00 0.00 0.69 1.28 0.02 0.00 0.00 175.30 177.29 2jla n LEU 316 N 0.18 0.67 -4.31 2.53 4.77 -1.26 -4.98 117.00 114.59 2jla n LEU 316 Ca 0.04 -0.73 -0.40 0.00 -0.03 0.00 0.00 56.01 54.89 2jla n LEU 316 Cb 0.49 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 2jla n LEU 316 CO 0.45 0.18 -0.12 -0.62 -1.33 0.00 0.00 177.39 175.95 2jla s ASP 317 N -0.42 5.68 0.00 -1.43 -1.08 -1.26 -4.94 116.67 113.23 2jla s ASP 317 Ca 0.01 -1.32 0.14 0.00 -0.52 0.00 0.00 52.55 50.86 2jla s ASP 317 Cb 0.01 -2.00 0.84 0.00 -1.46 0.00 0.00 42.92 40.30 2jla s ASP 317 CO 0.00 -0.49 1.48 -0.81 0.52 0.00 0.00 175.17 175.88 2jla n PRO 318 N 4.95 0.93 -0.00 4.34 -0.05 -1.26 -1.86 135.00 142.05 2jla n PRO 318 Ca -0.11 0.00 0.03 0.00 -0.05 0.00 0.00 63.50 63.37 2jla n PRO 318 Cb 0.44 -1.24 0.02 0.00 -0.05 0.00 0.00 33.50 32.68 2jla n PRO 318 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2jla n ALA 319 N -0.74 2.48 -3.83 0.55 0.00 -1.26 -5.04 120.51 112.67 2jla n ALA 319 Ca 0.11 -0.56 -0.35 0.00 0.00 0.00 0.00 53.44 52.63 2jla n ALA 319 Cb 0.05 -0.19 0.03 0.00 0.00 0.00 0.00 19.45 19.34 2jla n ALA 319 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2jla n HIS 320 N 0.29 -1.73 -2.39 0.00 -0.00 -0.78 -4.92 115.22 105.71 2jla n HIS 320 Ca 0.03 0.39 -0.37 0.00 -0.00 0.00 0.00 57.72 57.78 2jla n HIS 320 Cb 0.14 -3.30 -0.02 0.00 -0.00 0.00 0.00 29.99 26.81 2jla n HIS 320 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jla s HIS 321 N -3.57 3.06 0.04 4.41 3.76 -1.26 -4.98 115.29 116.74 2jla s HIS 321 Ca 0.41 1.58 -0.35 0.00 -0.15 0.00 0.00 55.06 56.55 2jla s HIS 321 Cb -0.17 -3.27 -0.14 0.00 1.11 0.00 0.00 32.58 30.11 2jla s HIS 321 CO 0.90 -1.11 1.59 -2.13 -0.85 0.00 0.00 174.74 173.14 2jla n ARG 322 N -0.28 1.77 0.00 1.40 0.63 -1.26 -4.78 116.66 114.13 2jla n ARG 322 Ca 0.06 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.63 2jla n ARG 322 Cb 0.49 -2.38 0.00 0.00 0.45 0.00 0.00 32.46 31.01 2jla n ARG 322 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jla n GLY 323 N 3.46 -0.67 2.93 5.14 0.00 -1.26 -2.63 105.19 112.15 2jla n GLY 323 Ca 0.20 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 2jla n GLY 323 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jla s ARG 324 N -1.03 0.32 -0.35 1.61 0.52 0.12 -4.91 118.95 115.22 2jla s ARG 324 Ca 0.00 -0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.11 2jla s ARG 324 Cb 0.00 -0.31 0.10 0.00 0.52 0.00 0.00 34.95 35.26 2jla s ARG 324 CO 0.00 0.08 0.07 0.50 0.02 0.00 0.00 175.30 175.97 2jla s ARG 325 N -0.06 1.43 -0.29 3.54 6.06 -1.26 -1.22 118.95 127.14 2jla s ARG 325 Ca 0.01 -1.84 -0.08 0.00 -2.50 0.00 0.00 55.73 51.32 2jla s ARG 325 Cb -0.02 -3.08 -0.01 0.00 0.06 0.00 0.00 34.95 31.90 2jla s ARG 325 CO -0.00 -0.96 0.11 -0.51 -2.50 0.00 0.00 175.30 171.44 2jla s LEU 326 N 0.90 3.84 -0.45 -0.88 1.43 0.12 -4.99 118.68 118.65 2jla s LEU 326 Ca 0.11 -0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 52.55 2jla s LEU 326 Cb -0.19 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.10 2jla s LEU 326 CO -0.09 -0.14 0.59 -0.63 0.23 0.00 0.00 176.35 176.30 2jla s ILE 327 N 1.59 4.90 -0.13 -0.59 1.09 -1.26 -2.35 121.20 124.45 2jla s ILE 327 Ca 0.05 -0.10 -0.30 0.00 -1.10 0.00 0.00 60.65 59.20 2jla s ILE 327 Cb -0.16 -4.18 0.10 0.00 -1.06 0.00 0.00 42.46 37.15 2jla s ILE 327 CO 0.05 -0.59 0.84 0.00 -0.10 0.00 0.00 174.94 175.14 2jla s ALA 328 N 2.62 -1.85 0.12 9.38 0.00 -0.98 -1.28 121.76 129.76 2jla s ALA 328 Ca 0.19 1.54 -0.31 0.00 0.00 0.00 0.00 51.96 53.38 2jla s ALA 328 Cb -0.16 -0.52 -0.10 0.00 0.00 0.00 0.00 23.12 22.34 2jla s ALA 328 CO 0.16 -0.33 1.73 1.21 0.00 0.00 0.00 175.76 178.53 2jla s ASN 329 N -0.89 6.50 0.15 0.00 3.84 -1.26 -2.20 114.94 121.08 2jla s ASN 329 Ca -0.05 2.66 -0.17 0.00 0.21 0.00 0.00 52.86 55.52 2jla s ASN 329 Cb -0.01 -2.57 0.04 0.00 -0.55 0.00 0.00 41.25 38.16 2jla s ASN 329 CO 0.04 -0.94 1.75 0.40 -2.79 0.00 0.00 177.10 175.57 2jla h ILE 330 N 4.57 0.91 -0.69 -5.21 2.04 -1.94 0.72 117.51 117.92 2jla h ILE 330 Ca -0.44 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 65.38 2jla h ILE 330 Cb 1.21 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 2jla h ILE 330 CO 0.94 0.05 0.39 0.00 0.00 0.00 0.00 178.15 179.53 2jla h ALA 331 N 1.21 0.92 -0.06 1.87 0.00 -1.93 -0.80 119.26 120.47 2jla h ALA 331 Ca 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jla h ALA 331 Cb 0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jla h ALA 331 CO -0.15 0.08 0.02 -0.44 0.00 0.00 0.00 179.25 178.76 2jla h ASP 332 N 0.72 0.08 -0.97 0.00 3.32 -1.81 -2.95 116.42 114.81 2jla h ASP 332 Ca 0.30 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.24 2jla h ASP 332 Cb 0.17 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 2jla h ASP 332 CO -0.18 0.21 0.63 -0.25 -1.72 0.00 0.00 179.24 177.94 2jla h TRP 333 N -0.06 1.19 -0.55 4.55 7.01 -0.34 -1.29 115.95 126.46 2jla h TRP 333 Ca 0.02 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.00 2jla h TRP 333 Cb 0.16 -0.40 -0.03 0.00 -2.10 0.00 0.00 29.16 26.80 2jla h TRP 333 CO -0.02 0.68 0.15 -0.07 -2.79 0.00 0.00 178.44 176.39 2jla h LEU 334 N 1.23 0.77 -0.60 0.65 3.38 -1.11 0.16 115.31 119.78 2jla h LEU 334 Ca 0.39 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 2jla h LEU 334 Cb 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2jla h LEU 334 CO -0.12 0.75 -0.37 -0.33 0.09 0.00 0.00 178.44 178.45 2jla h GLU 335 N 0.80 0.69 0.00 1.13 5.08 -1.19 -2.59 114.58 118.51 2jla h GLU 335 Ca 0.18 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 2jla h GLU 335 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2jla h GLU 335 CO -0.00 0.95 -0.12 1.25 -1.00 0.00 0.00 179.01 180.09 2jla h LEU 336 N 0.58 0.00 -5.88 1.33 5.85 -0.77 -3.32 115.31 113.10 2jla h LEU 336 Ca 0.05 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 58.22 2jla h LEU 336 Cb 0.90 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 41.52 2jla h LEU 336 CO 0.08 0.12 -0.88 1.41 -0.34 0.00 0.00 178.44 178.83 2jla n HIS 337 N -3.18 1.87 -1.69 1.25 8.25 0.50 -4.91 115.22 117.32 2jla n HIS 337 Ca 0.02 -3.88 -0.35 0.00 -0.26 0.00 0.00 57.72 53.24 2jla n HIS 337 Cb 0.48 -0.45 0.07 0.00 1.12 0.00 0.00 29.99 31.20 2jla n HIS 337 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2jla s PRO 338 N -2.37 2.51 0.74 -0.41 0.04 -0.99 -4.76 135.00 129.75 2jla s PRO 338 Ca 0.41 1.81 -0.11 0.00 0.04 0.00 0.00 61.00 63.15 2jla s PRO 338 Cb 0.23 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.94 2jla s PRO 338 CO -0.08 -1.57 1.09 0.00 0.04 0.00 0.00 177.00 176.48 2jla s ALA 339 N -1.78 2.62 -0.03 8.56 0.00 -1.26 -5.05 121.76 124.82 2jla s ALA 339 Ca 0.76 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.50 2jla s ALA 339 Cb -0.30 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2jla s ALA 339 CO 0.40 -1.37 -0.10 -2.00 0.00 0.00 0.00 175.76 172.69 2jla s GLU 340 N -5.25 1.09 0.11 0.00 2.12 -1.26 -4.99 118.70 110.52 2jla s GLU 340 Ca 0.59 -0.34 -0.31 0.00 0.36 0.00 0.00 54.97 55.27 2jla s GLU 340 Cb -0.13 -1.00 -0.09 0.00 0.26 0.00 0.00 34.13 33.17 2jla s GLU 340 CO 0.53 0.12 1.64 0.21 -0.54 0.00 0.00 175.26 177.22 2jla s LYS 341 N 0.22 4.20 -0.00 4.30 2.20 -1.25 -3.83 119.74 125.57 2jla s LYS 341 Ca -0.04 2.37 -0.14 0.00 -0.36 0.00 0.00 55.97 57.80 2jla s LYS 341 Cb -0.09 -3.44 0.02 0.00 -1.51 0.00 0.00 37.83 32.81 2jla s LYS 341 CO 0.01 -0.70 0.30 1.03 -0.36 0.00 0.00 175.35 175.63 2jla s ARG 342 N 2.12 0.69 0.03 4.03 1.81 -0.30 -4.98 118.95 122.35 2jla s ARG 342 Ca 0.73 -0.26 -0.30 0.00 -1.72 0.00 0.00 55.73 54.18 2jla s ARG 342 Cb -0.42 0.30 -0.08 0.00 -0.45 0.00 0.00 34.95 34.31 2jla s ARG 342 CO 0.32 -0.20 1.68 -1.14 -0.68 0.00 0.00 175.30 175.29 2jla s GLN 343 N -1.57 4.19 0.15 3.54 2.00 -1.26 -3.65 119.66 123.07 2jla s GLN 343 Ca -0.12 2.32 -0.34 0.00 -2.00 0.00 0.00 55.36 55.22 2jla s GLN 343 Cb -0.04 -3.75 -0.16 0.00 0.80 0.00 0.00 33.01 29.86 2jla s GLN 343 CO 0.03 -0.78 1.28 -2.30 -0.50 0.00 0.00 175.29 173.02 2jla n PRO 344 N 6.17 1.36 0.09 1.67 -0.02 -1.25 -4.76 135.00 138.26 2jla n PRO 344 Ca 0.17 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 2jla n PRO 344 Cb 0.41 -2.07 0.01 0.00 -0.02 0.00 0.00 33.50 31.83 2jla n PRO 344 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2jla n TRP 345 N 2.02 0.88 -2.84 6.00 4.27 -1.01 -4.92 117.44 121.84 2jla n TRP 345 Ca 0.16 0.26 -0.40 0.00 -3.89 0.00 0.00 57.50 53.62 2jla n TRP 345 Cb 0.24 -0.90 -0.06 0.00 -1.36 0.00 0.00 31.31 29.23 2jla n TRP 345 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jla n VAL 347 N 1.67 0.83 0.04 0.00 0.31 -1.26 -4.85 118.33 115.07 2jla n VAL 347 Ca -0.03 0.13 -0.00 0.00 -0.01 0.00 0.00 64.34 64.43 2jla n VAL 347 Cb 0.48 -1.68 -0.07 0.00 -0.91 0.00 0.00 33.84 31.66 2jla n VAL 347 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2jla h GLU 348 N -0.23 0.00 -0.12 5.55 4.11 -1.95 -3.39 114.58 118.55 2jla h GLU 348 Ca -0.08 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.39 2jla h GLU 348 Cb 0.68 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 2jla h GLU 348 CO -0.05 0.33 -0.12 0.82 0.07 0.00 0.00 179.01 180.06 2jla h ILE 349 N 0.00 0.66 -0.81 -1.06 2.04 -1.92 -0.17 117.51 116.25 2jla h ILE 349 Ca -0.15 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.84 2jla h ILE 349 Cb 1.58 0.66 -0.09 0.00 -0.74 0.00 0.00 36.82 38.23 2jla h ILE 349 CO 0.05 0.00 0.41 -0.65 0.00 0.00 0.00 178.15 177.96 2jla h PRO 350 N -0.15 0.60 -0.46 2.37 0.11 -1.89 0.24 132.00 132.81 2jla h PRO 350 Ca 0.09 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 2jla h PRO 350 Cb 0.28 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 2jla h PRO 350 CO -0.21 0.39 0.25 -0.09 -0.21 0.00 0.00 178.00 178.13 2jla h ARG 351 N 0.61 0.65 -0.52 1.05 2.43 -1.58 -1.87 114.38 115.15 2jla h ARG 351 Ca 0.43 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.47 2jla h ARG 351 Cb 0.56 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 2jla h ARG 351 CO -0.34 0.53 0.15 -0.07 -1.51 0.00 0.00 179.97 178.73 2jla h LEU 352 N 0.61 0.76 -1.14 3.80 3.38 -0.08 -2.07 115.31 120.57 2jla h LEU 352 Ca 0.16 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2jla h LEU 352 Cb 0.07 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2jla h LEU 352 CO -0.02 0.78 0.51 0.00 0.09 0.00 0.00 178.44 179.79 2jla h ALA 353 N 1.02 1.36 -0.06 1.53 0.00 -0.33 -0.35 119.26 122.43 2jla h ALA 353 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jla h ALA 353 Cb 0.29 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jla h ALA 353 CO -0.00 0.56 -0.01 1.49 0.00 0.00 0.00 179.25 181.29 2jla h GLU 354 N 1.12 0.11 -0.43 0.00 4.81 -1.19 -3.20 114.58 115.80 2jla h GLU 354 Ca 0.30 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 2jla h GLU 354 Cb -0.08 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2jla h GLU 354 CO -0.06 0.45 0.22 1.96 -0.73 0.00 0.00 179.01 180.85 2jla h GLN 355 N -0.23 0.59 -0.45 1.92 4.20 -1.07 -1.18 115.11 118.88 2jla h GLN 355 Ca 0.01 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2jla h GLN 355 Cb 0.41 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2jla h GLN 355 CO 0.01 0.45 0.00 0.00 -0.67 0.00 0.00 178.83 178.62 2jla n ALA 356 N -2.47 1.39 0.00 3.87 0.00 -0.17 -1.16 120.51 121.97 2jla n ALA 356 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2jla n ALA 356 Cb 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2jla n ALA 356 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jla n GLN 358 N 0.46 0.00 -0.24 0.00 6.02 -0.45 -1.75 117.38 121.42 2jla n GLN 358 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 2jla n GLN 358 Cb 0.06 0.00 0.40 0.00 1.02 0.00 0.00 30.24 31.73 2jla n GLN 358 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jla h ALA 359 N 0.00 1.88 -0.02 -1.58 0.00 -1.41 -0.11 119.26 118.03 2jla h ALA 359 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2jla h ALA 359 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2jla h ALA 359 CO 0.00 -0.10 -0.24 0.28 0.00 0.00 0.00 179.25 179.19 2jla h VAL 360 N 0.64 1.51 -0.98 0.00 2.07 -1.62 -3.30 116.25 114.58 2jla h VAL 360 Ca 0.42 -1.85 0.03 0.00 0.82 0.00 0.00 66.70 66.12 2jla h VAL 360 Cb 0.70 2.64 -0.06 0.00 -1.52 0.00 0.00 31.29 33.06 2jla h VAL 360 CO -0.17 0.51 0.65 0.40 0.02 0.00 0.00 177.57 178.97 2jla h ILE 361 N -0.44 1.19 0.00 4.57 2.04 -1.73 -1.20 117.51 121.93 2jla h ILE 361 Ca -0.02 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2jla h ILE 361 Cb 0.96 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2jla h ILE 361 CO 0.05 0.23 0.06 0.00 0.00 0.00 0.00 178.15 178.49 2jla n ALA 362 N -2.38 0.90 -0.89 1.87 0.00 -0.09 -1.24 120.51 118.68 2jla n ALA 362 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.63 2jla n ALA 362 Cb 0.08 -0.86 0.09 0.00 0.00 0.00 0.00 19.45 18.76 2jla n ALA 362 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jla n ARG 363 N -1.37 1.54 0.27 0.00 5.12 -0.46 -4.79 116.66 116.97 2jla n ARG 363 Ca 0.00 -2.09 0.16 0.00 -1.93 0.00 0.00 57.85 53.99 2jla n ARG 363 Cb 0.06 -1.25 0.67 0.00 -1.16 0.00 0.00 32.46 30.78 2jla n ARG 363 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 2jla h ARG 364 N 0.00 0.00 0.04 5.56 0.11 -1.15 -3.37 114.38 115.57 2jla h ARG 364 Ca 0.00 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.83 2jla h ARG 364 Cb 0.91 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.02 2jla h ARG 364 CO 0.00 0.05 -1.02 -0.44 0.10 0.00 0.00 179.97 178.66 2jla h ASP 365 N 0.00 0.83 -2.31 0.08 3.32 -1.87 -3.46 116.42 113.01 2jla h ASP 365 Ca -0.00 -0.77 -0.62 0.00 0.02 0.00 0.00 57.03 55.66 2jla h ASP 365 Cb 0.53 -0.26 0.10 0.00 0.22 0.00 0.00 39.33 39.92 2jla h ASP 365 CO 0.01 1.50 0.20 0.00 -1.72 0.00 0.00 179.24 179.22 2jla n ALA 366 N -2.65 -0.33 -2.88 3.45 0.00 -1.26 -4.86 120.51 111.99 2jla n ALA 366 Ca -0.12 0.41 -0.44 0.00 0.00 0.00 0.00 53.44 53.30 2jla n ALA 366 Cb 0.87 -2.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 2jla n ALA 366 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2jla s PHE 367 N -0.73 3.29 0.27 0.00 5.36 -1.26 -4.70 117.98 120.22 2jla s PHE 367 Ca 0.64 -1.88 -0.11 0.00 -0.96 0.00 0.00 56.93 54.62 2jla s PHE 367 Cb -0.74 -4.39 -0.00 0.00 -0.34 0.00 0.00 43.02 37.55 2jla s PHE 367 CO 0.57 -1.49 0.49 0.20 -1.46 0.00 0.00 175.22 173.53 2jla s GLY 368 N 3.26 0.68 0.19 13.12 0.00 -1.26 -4.92 107.32 118.39 2jla s GLY 368 Ca 0.43 -0.98 -0.12 0.00 0.00 0.00 0.00 44.72 44.05 2jla s GLY 368 CO -0.01 -0.67 1.82 1.05 0.00 0.00 0.00 173.10 175.28 2jla h GLU 369 N 2.22 0.65 -0.96 2.90 4.11 -1.95 -0.83 114.58 120.73 2jla h GLU 369 Ca -0.27 -0.04 0.17 0.00 0.07 0.00 0.00 59.36 59.30 2jla h GLU 369 Cb 1.25 -0.15 -0.10 0.00 0.50 0.00 0.00 28.75 30.25 2jla h GLU 369 CO 0.36 0.43 0.56 0.00 0.07 0.00 0.00 179.01 180.43 2jla h ALA 370 N 1.28 1.54 0.01 1.06 0.00 -1.92 0.98 119.26 122.22 2jla h ALA 370 Ca 0.25 0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.99 2jla h ALA 370 Cb 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jla h ALA 370 CO -0.13 -0.05 -1.02 1.96 0.00 0.00 0.00 179.25 180.01 2jla h GLN 371 N 0.73 0.55 -0.19 0.00 7.50 -1.49 -2.02 115.11 120.20 2jla h GLN 371 Ca 0.54 -0.61 0.05 0.00 0.50 0.00 0.00 58.65 59.13 2jla h GLN 371 Cb 0.81 0.18 -0.05 0.00 0.05 0.00 0.00 27.48 28.47 2jla h GLN 371 CO -0.38 1.23 -0.12 1.25 -1.50 0.00 0.00 178.83 179.31 2jla h LEU 372 N 0.30 -0.39 -0.21 1.46 6.46 -0.26 -2.04 115.31 120.64 2jla h LEU 372 Ca -0.11 0.09 0.06 0.00 -0.12 0.00 0.00 57.88 57.79 2jla h LEU 372 Cb 1.67 0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 41.74 2jla h LEU 372 CO 0.19 -0.16 -0.25 0.00 -0.62 0.00 0.00 178.44 177.60 2jla h ALA 373 N 1.03 -0.17 -0.44 1.25 0.00 -0.75 0.10 119.26 120.28 2jla h ALA 373 Ca 0.11 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2jla h ALA 373 Cb 0.28 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2jla h ALA 373 CO -0.26 -0.69 0.29 1.25 0.00 0.00 0.00 179.25 179.84 2jla h HIS 374 N -0.27 0.53 -0.37 0.00 -0.00 -1.13 -2.81 115.15 111.09 2jla h HIS 374 Ca 0.13 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 2jla h HIS 374 Cb 0.47 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.70 2jla h HIS 374 CO -0.39 0.33 0.00 2.89 -0.00 0.00 0.00 177.93 180.76 2jla n ARG 375 N -4.47 2.95 -0.15 5.26 1.85 -0.79 -4.40 116.66 116.91 2jla n ARG 375 Ca 0.04 -2.32 0.28 0.00 -1.00 0.00 0.00 57.85 54.85 2jla n ARG 375 Cb 0.08 -1.46 0.71 0.00 -1.05 0.00 0.00 32.46 30.74 2jla n ARG 375 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 2jla h ILE 376 N 2.26 0.38 -1.01 8.89 6.09 -0.53 0.27 117.51 133.85 2jla h ILE 376 Ca 0.00 0.00 0.26 0.00 -1.37 0.00 0.00 64.86 63.75 2jla h ILE 376 Cb 0.95 0.47 -0.13 0.00 0.47 0.00 0.00 36.82 38.58 2jla h ILE 376 CO 0.07 0.00 0.60 0.00 -3.07 0.00 0.00 178.15 175.75 2jla h ASP 378 N 0.52 0.00 -0.01 0.00 5.19 -0.84 -2.87 116.42 118.40 2jla h ASP 378 Ca 0.66 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.07 2jla h ASP 378 Cb 1.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.85 2jla h ASP 378 CO -0.49 0.02 -0.02 -1.22 -3.12 0.00 0.00 179.24 174.42 2jla n TYR 379 N -3.35 0.00 -2.02 4.55 4.01 -0.34 -4.99 117.16 115.02 2jla n TYR 379 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 2jla n TYR 379 Cb 0.13 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.13 2jla n TYR 379 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2jla s LEU 380 N -1.02 4.34 0.34 7.72 1.43 -1.09 -4.97 118.68 125.44 2jla s LEU 380 Ca 0.13 2.31 -0.29 0.00 -1.03 0.00 0.00 54.13 55.26 2jla s LEU 380 Cb 0.10 -3.55 -0.11 0.00 0.03 0.00 0.00 46.19 42.66 2jla s LEU 380 CO 0.16 -0.87 1.39 -2.16 0.23 0.00 0.00 176.35 175.10 2jla s PRO 381 N 3.14 4.25 0.11 1.29 0.04 -1.26 -4.94 135.00 137.62 2jla s PRO 381 Ca 0.72 2.37 -0.31 0.00 0.04 0.00 0.00 61.00 63.82 2jla s PRO 381 Cb -0.36 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.06 2jla s PRO 381 CO 0.30 -0.35 1.69 -2.00 0.04 0.00 0.00 177.00 176.68 2jla s GLU 382 N -1.81 4.18 -1.61 4.56 2.12 -1.26 -1.56 118.70 123.31 2jla s GLU 382 Ca 0.51 2.42 0.00 0.00 0.36 0.00 0.00 54.97 58.27 2jla s GLU 382 Cb -0.43 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.49 2jla s GLU 382 CO 0.56 -0.74 0.00 1.04 -0.54 0.00 0.00 175.26 175.59 2jla n GLN 383 N 5.19 -1.49 0.00 4.30 1.13 -1.26 -4.88 117.38 120.38 2jla n GLN 383 Ca 0.16 0.91 0.00 0.00 -1.94 0.00 0.00 57.00 56.13 2jla n GLN 383 Cb 0.39 -5.45 0.00 0.00 0.11 0.00 0.00 30.24 25.29 2jla n GLN 383 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jla n GLY 384 N -1.01 2.77 3.50 1.08 0.00 -0.60 -4.48 105.19 106.45 2jla n GLY 384 Ca -0.22 -1.86 -0.17 0.00 0.00 0.00 0.00 46.02 43.77 2jla n GLY 384 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jla s GLN 385 N 3.60 0.98 -0.15 1.61 -2.07 -0.43 -4.52 119.66 118.68 2jla s GLN 385 Ca 0.00 0.32 -0.08 0.00 -1.82 0.00 0.00 55.36 53.78 2jla s GLN 385 Cb 0.00 0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 32.34 2jla s GLN 385 CO 0.00 -0.28 0.12 -1.17 -1.32 0.00 0.00 175.29 172.64 2jla s LEU 386 N -0.97 4.24 -0.21 2.60 2.96 0.23 -1.10 118.68 126.43 2jla s LEU 386 Ca -0.10 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 2jla s LEU 386 Cb -0.01 -2.05 0.04 0.00 0.50 0.00 0.00 46.19 44.67 2jla s LEU 386 CO 0.08 0.32 -0.16 0.12 -1.32 0.00 0.00 176.35 175.39 2jla s PHE 387 N -0.52 2.99 -0.21 5.38 5.36 0.11 -0.46 117.98 130.63 2jla s PHE 387 Ca 0.12 -1.94 -0.10 0.00 -0.96 0.00 0.00 56.93 54.05 2jla s PHE 387 Cb -0.12 -1.92 -0.05 0.00 -0.34 0.00 0.00 43.02 40.59 2jla s PHE 387 CO 0.02 -0.84 0.14 0.08 -1.46 0.00 0.00 175.22 173.15 2jla s VAL 388 N 1.21 5.33 0.65 3.12 1.01 -0.13 -2.09 120.40 129.50 2jla s VAL 388 Ca -0.01 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 2jla s VAL 388 Cb -0.16 -3.45 0.16 0.00 0.00 0.00 0.00 36.38 32.93 2jla s VAL 388 CO -0.10 0.40 0.58 0.61 0.00 0.00 0.00 175.10 176.60 2jla n GLY 389 N 3.83 -2.60 1.41 4.51 0.00 -0.24 -4.45 105.19 107.66 2jla n GLY 389 Ca -0.16 -1.48 -0.07 0.00 0.00 0.00 0.00 46.02 44.32 2jla n GLY 389 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jla n ASN 390 N -3.98 0.76 0.00 1.61 3.02 -1.26 -3.86 115.26 111.54 2jla n ASN 390 Ca 0.08 -1.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 2jla n ASN 390 Cb 0.31 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 2jla n ASN 390 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2jla n SER 391 N -2.76 0.00 -0.00 6.41 2.88 -1.26 -4.04 113.62 114.85 2jla n SER 391 Ca 0.06 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.42 2jla n SER 391 Cb 0.22 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.58 2jla n SER 391 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2jla h LEU 392 N 0.00 0.73 0.10 2.46 5.85 -1.97 -3.27 115.31 119.21 2jla h LEU 392 Ca 0.00 -0.69 0.02 0.00 0.84 0.00 0.00 57.88 58.04 2jla h LEU 392 Cb 0.00 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 2jla h LEU 392 CO 0.00 1.31 -0.50 1.62 -0.34 0.00 0.00 178.44 180.53 2jla h VAL 393 N 0.21 0.04 -0.77 1.05 3.04 -1.88 0.23 116.25 118.17 2jla h VAL 393 Ca -0.07 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.65 2jla h VAL 393 Cb 1.37 0.04 -0.04 0.00 -2.01 0.00 0.00 31.29 30.65 2jla h VAL 393 CO 0.14 0.00 0.51 1.62 -1.01 0.00 0.00 177.57 178.83 2jla h VAL 394 N -0.72 1.13 -0.19 1.51 3.04 -1.70 0.15 116.25 119.47 2jla h VAL 394 Ca 0.01 -0.33 -0.05 0.00 -1.01 0.00 0.00 66.70 65.32 2jla h VAL 394 Cb 0.74 0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.09 2jla h VAL 394 CO -0.29 0.18 -0.09 0.03 -1.01 0.00 0.00 177.57 176.38 2jla h ARG 395 N 0.96 0.30 0.06 4.17 3.08 -1.49 -1.96 114.38 119.50 2jla h ARG 395 Ca 0.30 -0.06 -0.28 0.00 0.07 0.00 0.00 59.98 60.01 2jla h ARG 395 Cb 0.02 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2jla h ARG 395 CO -0.08 0.41 -1.48 -0.07 -1.07 0.00 0.00 179.97 177.67 2jla h LEU 396 N 0.29 0.20 -0.09 3.04 3.38 0.20 -2.23 115.31 120.09 2jla h LEU 396 Ca 0.06 -0.29 -0.24 0.00 0.09 0.00 0.00 57.88 57.50 2jla h LEU 396 Cb 0.35 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2jla h LEU 396 CO 0.02 1.24 -1.03 0.40 0.09 0.00 0.00 178.44 179.16 2jla h ILE 397 N 0.03 1.45 -0.42 1.22 2.04 -1.00 0.11 117.51 120.95 2jla h ILE 397 Ca -0.21 -2.67 -0.10 0.00 1.00 0.00 0.00 64.86 62.88 2jla h ILE 397 Cb 1.96 2.59 -0.02 0.00 -0.74 0.00 0.00 36.82 40.62 2jla h ILE 397 CO 0.13 0.79 -0.15 -0.78 0.00 0.00 0.00 178.15 178.13 2jla h ASP 398 N 0.16 0.78 0.30 1.72 1.82 -1.45 -2.47 116.42 117.29 2jla h ASP 398 Ca -0.09 -0.25 -0.31 0.00 -0.39 0.00 0.00 57.03 55.99 2jla h ASP 398 Cb 1.69 -0.21 0.03 0.00 0.68 0.00 0.00 39.33 41.52 2jla h ASP 398 CO 0.17 0.94 -1.34 0.00 -1.61 0.00 0.00 179.24 177.40 2jla h ALA 399 N 1.13 -0.04 0.00 -0.78 0.00 -1.30 -3.40 119.26 114.87 2jla h ALA 399 Ca 0.11 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2jla h ALA 399 Cb 0.64 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2jla h ALA 399 CO 0.05 0.76 -1.02 1.28 0.00 0.00 0.00 179.25 180.31 2jla n LEU 400 N -3.70 0.11 -4.57 0.00 4.77 0.39 -3.94 117.00 110.06 2jla n LEU 400 Ca -0.14 -0.16 -0.26 0.00 -0.03 0.00 0.00 56.01 55.42 2jla n LEU 400 Cb 1.04 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 42.02 2jla n LEU 400 CO 0.58 0.03 -0.33 -0.94 -1.33 0.00 0.00 177.39 175.40 2jla s SER 401 N -2.48 3.65 -0.35 -1.43 1.04 -0.93 -4.57 113.70 108.63 2jla s SER 401 Ca -0.01 -1.29 0.03 0.00 0.48 0.00 0.00 55.95 55.16 2jla s SER 401 Cb 0.05 -0.35 0.10 0.00 0.10 0.00 0.00 66.02 65.93 2jla s SER 401 CO 0.31 -0.36 0.07 -1.58 0.98 0.00 0.00 173.24 172.66 2jla s GLN 402 N -3.68 1.56 0.39 4.02 0.74 -1.26 -4.69 119.66 116.73 2jla s GLN 402 Ca 0.34 -1.87 -0.24 0.00 0.05 0.00 0.00 55.36 53.63 2jla s GLN 402 Cb 0.07 -3.26 -0.09 0.00 1.10 0.00 0.00 33.01 30.82 2jla s GLN 402 CO 0.17 -0.96 1.06 -0.51 -0.55 0.00 0.00 175.29 174.50 2jla s LEU 403 N 0.94 4.17 0.38 3.68 1.43 -1.26 -4.97 118.68 123.05 2jla s LEU 403 Ca 0.11 2.07 -0.28 0.00 -1.03 0.00 0.00 54.13 55.00 2jla s LEU 403 Cb -0.20 -4.13 -0.11 0.00 0.03 0.00 0.00 46.19 41.78 2jla s LEU 403 CO -0.07 -0.48 1.45 -2.65 0.23 0.00 0.00 176.35 174.83 2jla n PRO 404 N 0.03 2.54 -1.81 1.29 -0.02 -1.26 -3.95 135.00 131.83 2jla n PRO 404 Ca 0.04 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 62.00 2jla n PRO 404 Cb 0.49 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 2jla n PRO 404 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jla s ALA 405 N -1.12 3.78 0.00 3.55 0.00 -1.26 -2.42 121.76 124.28 2jla s ALA 405 Ca 0.54 1.53 0.00 0.00 0.00 0.00 0.00 51.96 54.04 2jla s ALA 405 Cb -0.49 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 18.99 2jla s ALA 405 CO 0.63 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.87 2jla n GLY 406 N 2.69 2.47 3.60 0.00 0.00 0.32 -4.88 105.19 109.40 2jla n GLY 406 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2jla n GLY 406 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jla s TYR 407 N -3.25 2.93 0.23 1.61 5.04 -1.02 -4.79 117.35 118.10 2jla s TYR 407 Ca 0.00 0.74 -0.32 0.00 -2.44 0.00 0.00 57.07 55.05 2jla s TYR 407 Cb 0.00 -4.11 -0.13 0.00 0.35 0.00 0.00 41.96 38.07 2jla s TYR 407 CO 0.00 -1.09 1.60 -2.30 -1.34 0.00 0.00 175.55 172.42 2jla n PRO 408 N 7.40 2.49 -4.65 4.97 -0.02 -1.26 -4.83 135.00 139.09 2jla n PRO 408 Ca 0.10 0.89 -0.24 0.00 -2.02 0.00 0.00 63.50 62.23 2jla n PRO 408 Cb 0.48 -2.67 -0.14 0.00 -0.02 0.00 0.00 33.50 31.15 2jla n PRO 408 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jla s VAL 409 N 0.54 1.42 0.04 -1.45 1.01 -1.26 -0.60 120.40 120.11 2jla s VAL 409 Ca 0.71 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 2jla s VAL 409 Cb -0.56 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2jla s VAL 409 CO 0.41 0.23 -0.04 -0.31 0.00 0.00 0.00 175.10 175.40 2jla s TYR 410 N -0.65 0.48 0.22 5.22 1.51 0.39 -4.95 117.35 119.57 2jla s TYR 410 Ca 0.06 -0.83 -0.22 0.00 -1.01 0.00 0.00 57.07 55.06 2jla s TYR 410 Cb -0.08 -0.34 0.04 0.00 -0.11 0.00 0.00 41.96 41.48 2jla s TYR 410 CO 0.01 -0.27 0.73 -1.54 -1.11 0.00 0.00 175.55 173.37 2jla s SER 411 N -2.34 -0.33 -0.91 2.29 1.04 -1.26 -0.96 113.70 111.23 2jla s SER 411 Ca -0.02 -0.39 -0.01 0.00 0.48 0.00 0.00 55.95 56.01 2jla s SER 411 Cb 0.00 0.64 0.26 0.00 0.10 0.00 0.00 66.02 67.03 2jla s SER 411 CO -0.06 -1.15 1.02 0.59 0.98 0.00 0.00 173.24 174.62 2jla n ASN 412 N -0.43 4.88 -0.88 7.02 3.02 -1.26 -4.87 115.26 122.74 2jla n ASN 412 Ca -0.08 -3.29 0.08 0.00 -0.03 0.00 0.00 54.58 51.26 2jla n ASN 412 Cb 0.61 -1.05 0.20 0.00 -0.61 0.00 0.00 39.78 38.94 2jla n ASN 412 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2jla n ARG 413 N 1.65 2.64 0.00 3.52 3.00 -1.26 -3.06 116.66 123.14 2jla n ARG 413 Ca 0.25 -2.19 0.00 0.00 -0.00 0.00 0.00 57.85 55.91 2jla n ARG 413 Cb 0.37 -1.38 0.00 0.00 0.00 0.00 0.00 32.46 31.45 2jla n ARG 413 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jla n GLY 414 N 0.95 -0.31 0.01 5.14 0.00 -1.26 -4.34 105.19 105.38 2jla n GLY 414 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 2jla n GLY 414 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jla n ALA 415 N -1.38 3.03 -2.18 4.61 0.00 -1.26 -4.96 120.51 118.37 2jla n ALA 415 Ca 0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.04 2jla n ALA 415 Cb 0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.16 2jla n ALA 415 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jla n SER 416 N -1.45 -4.49 -4.72 0.00 7.64 -1.17 -4.96 113.62 104.48 2jla n SER 416 Ca 0.07 0.18 -0.35 0.00 1.01 0.00 0.00 58.87 59.79 2jla n SER 416 Cb 0.33 -3.85 0.10 0.00 -1.01 0.00 0.00 64.21 59.78 2jla n SER 416 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jla s GLY 417 N -2.10 2.42 -0.09 0.23 0.00 -1.26 -4.85 107.32 101.67 2jla s GLY 417 Ca 0.00 0.95 0.15 0.00 0.00 0.00 0.00 44.72 45.82 2jla s GLY 417 CO 0.00 1.37 1.42 0.29 0.00 0.00 0.00 173.10 176.18 2jla n ILE 418 N -2.68 1.67 1.12 0.90 -5.35 -1.26 -4.68 119.36 109.08 2jla n ILE 418 Ca 0.14 -1.35 0.12 0.00 -0.27 0.00 0.00 62.75 61.39 2jla n ILE 418 Cb 0.50 0.14 0.26 0.00 -1.74 0.00 0.00 39.64 38.80 2jla n ILE 418 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2jla n ASP 419 N 0.34 0.94 -1.15 7.28 5.75 -1.26 -4.51 116.55 123.94 2jla n ASP 419 Ca 0.19 -0.74 0.00 0.00 -0.01 0.00 0.00 54.79 54.23 2jla n ASP 419 Cb 0.71 0.27 -0.01 0.00 -1.03 0.00 0.00 41.12 41.07 2jla n ASP 419 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jla n GLY 420 N 1.41 0.80 0.15 6.12 0.00 -1.26 -4.53 105.19 107.88 2jla n GLY 420 Ca 0.09 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 2jla n GLY 420 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jla h LEU 421 N 0.52 0.48 0.06 0.99 3.38 -1.88 -0.90 115.31 117.95 2jla h LEU 421 Ca -0.27 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.20 2jla h LEU 421 Cb 1.63 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2jla h LEU 421 CO -0.02 0.89 -0.03 -0.07 0.09 0.00 0.00 178.44 179.30 2jla h LEU 422 N 0.08 -0.06 -1.55 1.67 3.38 -1.89 -0.38 115.31 116.55 2jla h LEU 422 Ca 0.02 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2jla h LEU 422 Cb 0.77 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2jla h LEU 422 CO 0.05 0.12 -0.01 0.77 0.09 0.00 0.00 178.44 179.46 2jla h SER 423 N -0.24 0.25 0.07 -0.43 4.64 -1.85 -0.60 113.55 115.38 2jla h SER 423 Ca -0.01 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2jla h SER 423 Cb 0.22 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2jla h SER 423 CO 0.01 0.31 -0.03 0.74 -0.87 0.00 0.00 176.83 176.99 2jla h THR 424 N 0.27 1.11 -0.68 2.95 2.02 -1.03 -2.80 112.91 114.76 2jla h THR 424 Ca 0.06 -0.61 0.15 0.00 0.77 0.00 0.00 66.41 66.78 2jla h THR 424 Cb 0.20 1.51 -0.11 0.00 -1.74 0.00 0.00 68.15 68.01 2jla h THR 424 CO 0.00 0.15 0.03 0.00 0.37 0.00 0.00 175.52 176.08 2jla h ALA 425 N 0.55 0.72 -0.26 6.16 0.00 -0.40 0.24 119.26 126.27 2jla h ALA 425 Ca -0.01 0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2jla h ALA 425 Cb 0.32 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 2jla h ALA 425 CO 0.01 -0.39 -0.28 0.00 0.00 0.00 0.00 179.25 178.59 2jla h ALA 426 N 1.61 -0.20 -0.08 0.00 0.00 -1.04 0.26 119.26 119.81 2jla h ALA 426 Ca 0.36 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 2jla h ALA 426 Cb 0.61 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2jla h ALA 426 CO -0.56 -0.71 -0.41 0.78 0.00 0.00 0.00 179.25 178.35 2jla h GLY 427 N -0.29 0.18 0.98 0.00 0.00 -1.08 -0.55 103.07 102.31 2jla h GLY 427 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 2jla h GLY 427 CO -0.42 0.15 0.21 -2.08 0.00 0.00 0.00 176.54 174.40 2jla h VAL 428 N 0.14 1.12 -0.26 4.60 2.07 0.47 0.67 116.25 125.06 2jla h VAL 428 Ca 0.01 -0.29 -0.19 0.00 0.82 0.00 0.00 66.70 67.05 2jla h VAL 428 Cb 0.78 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2jla h VAL 428 CO 0.06 0.12 -0.60 0.06 0.02 0.00 0.00 177.57 177.23 2jla h GLN 429 N 0.45 0.86 -0.76 1.57 -0.00 -0.76 -3.16 115.11 113.31 2jla h GLN 429 Ca 0.12 -0.58 -0.05 0.00 -0.00 0.00 0.00 58.65 58.15 2jla h GLN 429 Cb 0.02 0.08 -0.03 0.00 -0.00 0.00 0.00 27.48 27.54 2jla h GLN 429 CO -0.02 1.21 0.29 0.00 -0.00 0.00 0.00 178.83 180.30 2jla h ARG 430 N 0.64 1.15 0.75 0.06 3.08 -0.89 0.14 114.38 119.32 2jla h ARG 430 Ca 0.00 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 2jla h ARG 430 Cb 1.21 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2jla h ARG 430 CO 0.13 0.94 -0.39 0.00 -1.07 0.00 0.00 179.97 179.58 2jla h ALA 431 N 1.19 -1.06 0.00 0.04 0.00 -0.88 -3.26 119.26 115.29 2jla h ALA 431 Ca 0.25 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2jla h ALA 431 Cb 0.24 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2jla h ALA 431 CO -0.02 -1.10 -0.69 0.66 0.00 0.00 0.00 179.25 178.09 2jla h SER 432 N -1.05 0.00 0.00 0.00 4.64 -1.49 -3.47 113.55 112.17 2jla h SER 432 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2jla h SER 432 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2jla h SER 432 CO 0.15 0.69 0.00 0.61 -0.87 0.00 0.00 176.83 177.41 2jla n GLY 433 N 0.75 0.44 3.84 -0.77 0.00 0.49 -5.03 105.19 104.91 2jla n GLY 433 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2jla n GLY 433 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jla s LYS 434 N -0.56 4.10 0.22 1.61 1.02 -1.25 -4.39 119.74 120.48 2jla s LYS 434 Ca 0.00 0.85 -0.32 0.00 0.02 0.00 0.00 55.97 56.52 2jla s LYS 434 Cb 0.00 -2.35 -0.12 0.00 -0.52 0.00 0.00 37.83 34.84 2jla s LYS 434 CO 0.00 0.09 1.70 -0.35 -0.92 0.00 0.00 175.35 175.87 2jla n PRO 435 N -0.44 2.74 -5.14 -1.68 -0.04 -1.26 -4.74 135.00 124.44 2jla n PRO 435 Ca 0.05 0.99 -0.30 0.00 -0.04 0.00 0.00 63.50 64.19 2jla n PRO 435 Cb 0.53 -2.82 -0.17 0.00 -0.04 0.00 0.00 33.50 31.01 2jla n PRO 435 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jla s THR 436 N 0.99 1.89 -0.26 0.52 2.01 -0.64 -1.31 115.64 118.85 2jla s THR 436 Ca 0.74 -0.96 -0.08 0.00 0.31 0.00 0.00 61.69 61.70 2jla s THR 436 Cb -0.51 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 2jla s THR 436 CO 0.35 0.53 0.10 -0.22 -0.69 0.00 0.00 174.62 174.69 2jla s LEU 437 N 0.08 3.60 -0.14 4.42 2.96 -0.26 -1.48 118.68 127.86 2jla s LEU 437 Ca -0.09 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 2jla s LEU 437 Cb -0.15 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.58 2jla s LEU 437 CO 0.05 -0.04 -0.19 0.00 -1.32 0.00 0.00 176.35 174.85 2jla s ALA 438 N 1.65 2.11 -0.03 5.97 0.00 0.26 0.07 121.76 131.79 2jla s ALA 438 Ca 0.07 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.07 2jla s ALA 438 Cb -0.15 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 2jla s ALA 438 CO 0.06 -0.14 -0.22 -1.50 0.00 0.00 0.00 175.76 173.95 2jla s ILE 439 N 1.02 2.36 0.07 0.00 2.07 -0.89 -0.88 121.20 124.94 2jla s ILE 439 Ca -0.03 -0.99 -0.13 0.00 -1.41 0.00 0.00 60.65 58.09 2jla s ILE 439 Cb -0.15 -1.86 0.02 0.00 0.13 0.00 0.00 42.46 40.60 2jla s ILE 439 CO -0.05 0.58 0.29 0.54 -1.91 0.00 0.00 174.94 174.39 2jla s VAL 440 N -0.58 0.09 0.81 4.00 0.11 -0.19 -1.07 120.40 123.57 2jla s VAL 440 Ca 0.09 -0.78 -0.12 0.00 -2.93 0.00 0.00 61.98 58.24 2jla s VAL 440 Cb -0.11 -1.06 0.08 0.00 -1.53 0.00 0.00 36.38 33.76 2jla s VAL 440 CO 0.00 -0.43 1.13 -0.83 -3.33 0.00 0.00 175.10 171.64 2jla s GLY 441 N -2.36 1.60 0.04 6.54 0.00 -1.26 -1.01 107.32 110.87 2jla s GLY 441 Ca -0.02 -0.45 -0.22 0.00 0.00 0.00 0.00 44.72 44.03 2jla s GLY 441 CO -0.06 0.01 1.46 1.29 0.00 0.00 0.00 173.10 175.80 2jla h ASP 442 N -1.08 0.17 0.10 1.64 2.03 -1.55 -0.08 116.42 117.65 2jla h ASP 442 Ca -0.47 -0.32 -0.08 0.00 -0.73 0.00 0.00 57.03 55.43 2jla h ASP 442 Cb 1.30 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.74 2jla h ASP 442 CO 0.63 0.45 -0.25 -0.07 -1.03 0.00 0.00 179.24 178.97 2jla h LEU 443 N -0.11 0.25 0.00 0.15 3.38 -1.88 0.11 115.31 117.21 2jla h LEU 443 Ca 0.03 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2jla h LEU 443 Cb 0.37 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2jla h LEU 443 CO 0.01 0.51 -0.05 0.28 0.09 0.00 0.00 178.44 179.27 2jla h SER 444 N 0.23 -0.14 -0.58 -0.43 0.02 -1.79 0.05 113.55 110.91 2jla h SER 444 Ca 0.04 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2jla h SER 444 Cb 0.57 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 2jla h SER 444 CO 0.04 -0.08 0.28 0.00 -1.14 0.00 0.00 176.83 175.94 2jla h ALA 445 N 0.90 0.75 -0.22 3.77 0.00 -0.02 -2.62 119.26 121.81 2jla h ALA 445 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jla h ALA 445 Cb 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2jla h ALA 445 CO -0.05 0.31 0.14 -0.07 0.00 0.00 0.00 179.25 179.58 2jla h LEU 446 N 0.79 0.25 -0.54 0.00 3.38 -0.70 -2.00 115.31 116.48 2jla h LEU 446 Ca 0.20 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.26 2jla h LEU 446 Cb 0.11 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.69 2jla h LEU 446 CO -0.03 0.20 -0.15 0.22 0.09 0.00 0.00 178.44 178.77 2jla h TYR 447 N 0.29 -0.32 -1.07 1.13 -0.00 -0.63 -1.56 116.97 114.80 2jla h TYR 447 Ca 0.08 0.05 -0.66 0.00 -0.00 0.00 0.00 58.73 58.20 2jla h TYR 447 Cb -0.02 0.22 -0.33 0.00 -0.00 0.00 0.00 36.73 36.61 2jla h TYR 447 CO -0.06 -0.24 0.43 -3.47 -0.00 0.00 0.00 178.16 174.82 2jla n ASP 448 N -5.39 6.91 -0.04 -2.11 2.03 -1.03 -4.80 116.55 112.13 2jla n ASP 448 Ca 0.05 -3.78 -0.09 0.00 0.52 0.00 0.00 54.79 51.49 2jla n ASP 448 Cb 0.29 -0.82 -0.03 0.00 -0.72 0.00 0.00 41.12 39.85 2jla n ASP 448 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2jla h LEU 449 N 2.18 0.16 0.00 -2.67 5.85 -0.50 -2.11 115.31 118.21 2jla h LEU 449 Ca 0.54 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.26 2jla h LEU 449 Cb 0.90 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2jla h LEU 449 CO 1.35 0.12 0.00 -0.46 -0.34 0.00 0.00 178.44 179.11 2jla n ASN 450 N -4.99 0.00 0.22 1.25 0.23 -1.26 -1.39 115.26 109.32 2jla n ASN 450 Ca -0.03 0.46 0.15 0.00 -0.53 0.00 0.00 54.58 54.63 2jla n ASN 450 Cb 0.05 -0.47 0.63 0.00 -2.08 0.00 0.00 39.78 37.91 2jla n ASN 450 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jla h ALA 451 N 2.21 1.00 -0.97 -2.53 0.00 -1.76 -1.99 119.26 115.22 2jla h ALA 451 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.14 2jla h ALA 451 Cb 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 2jla h ALA 451 CO 0.00 0.00 0.63 -0.07 0.00 0.00 0.00 179.25 179.81 2jla h LEU 452 N 0.00 0.42 -0.66 0.00 4.07 -1.40 -0.29 115.31 117.45 2jla h LEU 452 Ca 0.00 0.06 0.13 0.00 0.08 0.00 0.00 57.88 58.14 2jla h LEU 452 Cb 0.41 -0.02 -0.13 0.00 1.08 0.00 0.00 40.66 42.01 2jla h LEU 452 CO 0.00 0.14 -0.23 0.00 -1.08 0.00 0.00 178.44 177.27 2jla h ALA 453 N 1.61 0.29 -0.01 1.53 0.00 -1.59 -1.99 119.26 119.10 2jla h ALA 453 Ca 0.52 0.24 -0.09 0.00 0.00 0.00 0.00 54.91 55.58 2jla h ALA 453 Cb 1.31 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 2jla h ALA 453 CO -0.22 -0.50 -0.42 -0.07 0.00 0.00 0.00 179.25 178.03 2jla h LEU 454 N -0.06 0.02 -0.28 0.00 3.38 -1.25 -2.90 115.31 114.22 2jla h LEU 454 Ca 0.30 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2jla h LEU 454 Cb 0.52 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2jla h LEU 454 CO -0.70 0.44 0.00 0.18 0.09 0.00 0.00 178.44 178.44 2jla n LEU 455 N -4.03 0.30 0.30 1.67 4.77 -0.76 -1.09 117.00 118.15 2jla n LEU 455 Ca -0.02 0.57 0.20 0.00 -0.03 0.00 0.00 56.01 56.73 2jla n LEU 455 Cb 0.45 -0.52 0.93 0.00 -2.33 0.00 0.00 43.42 41.94 2jla n LEU 455 CO 0.40 -0.36 1.08 0.03 -1.33 0.00 0.00 177.39 177.20 2jla h ARG 456 N 0.00 0.00 -4.38 3.23 3.08 -1.43 -3.37 114.38 111.51 2jla h ARG 456 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 2jla h ARG 456 Cb 0.32 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.97 2jla h ARG 456 CO 0.00 0.00 -0.73 -1.14 -1.07 0.00 0.00 179.97 177.03 2jla s GLN 457 N -3.88 1.32 -0.03 0.04 0.74 -0.25 -4.89 119.66 112.72 2jla s GLN 457 Ca -0.02 -1.73 -0.01 0.00 0.05 0.00 0.00 55.36 53.65 2jla s GLN 457 Cb 0.11 -2.93 0.03 0.00 1.10 0.00 0.00 33.01 31.32 2jla s GLN 457 CO 0.47 -0.96 0.05 0.08 -0.55 0.00 0.00 175.29 174.39 2jla s VAL 458 N 1.01 -0.09 -0.71 1.34 1.01 -1.26 -5.00 120.40 116.71 2jla s VAL 458 Ca 0.11 0.31 0.21 0.00 0.00 0.00 0.00 61.98 62.61 2jla s VAL 458 Cb -0.19 -0.13 0.20 0.00 0.00 0.00 0.00 36.38 36.27 2jla s VAL 458 CO -0.11 0.13 1.64 -1.54 0.00 0.00 0.00 175.10 175.21 2jla n SER 459 N 4.70 0.41 -4.01 3.32 3.41 -1.26 -4.53 113.62 115.66 2jla n SER 459 Ca -0.16 0.59 -0.10 0.00 -0.26 0.00 0.00 58.87 58.94 2jla n SER 459 Cb 0.50 -0.68 -0.07 0.00 -0.26 0.00 0.00 64.21 63.70 2jla n SER 459 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jla s ALA 460 N -3.18 0.16 0.17 7.33 0.00 -1.26 -4.91 121.76 120.06 2jla s ALA 460 Ca 0.06 -1.02 -0.34 0.00 0.00 0.00 0.00 51.96 50.66 2jla s ALA 460 Cb 0.10 0.97 -0.14 0.00 0.00 0.00 0.00 23.12 24.05 2jla s ALA 460 CO 0.37 -0.67 1.51 -0.35 0.00 0.00 0.00 175.76 176.61 2jla n PRO 461 N -0.25 1.99 -4.23 0.00 -0.04 -1.23 -4.21 135.00 127.04 2jla n PRO 461 Ca -0.05 0.72 -0.32 0.00 -0.04 0.00 0.00 63.50 63.81 2jla n PRO 461 Cb 0.63 -2.44 -0.16 0.00 -0.04 0.00 0.00 33.50 31.49 2jla n PRO 461 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2jla s LEU 462 N 0.68 2.03 -0.22 1.53 0.20 -1.02 -1.62 118.68 120.26 2jla s LEU 462 Ca 0.77 -0.60 -0.11 0.00 0.69 0.00 0.00 54.13 54.88 2jla s LEU 462 Cb -0.71 -1.40 -0.05 0.00 -0.43 0.00 0.00 46.19 43.60 2jla s LEU 462 CO 0.42 0.01 0.18 -0.69 -0.29 0.00 0.00 176.35 175.97 2jla s VAL 463 N 1.21 5.35 -0.40 1.68 1.01 -0.55 -0.37 120.40 128.33 2jla s VAL 463 Ca 0.02 0.25 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 2jla s VAL 463 Cb -0.14 -3.52 0.08 0.00 0.00 0.00 0.00 36.38 32.81 2jla s VAL 463 CO -0.10 0.36 0.22 -0.22 0.00 0.00 0.00 175.10 175.36 2jla s LEU 464 N 0.91 5.04 -0.12 3.92 2.96 0.10 -0.57 118.68 130.91 2jla s LEU 464 Ca 0.09 -1.60 -0.26 0.00 -0.22 0.00 0.00 54.13 52.14 2jla s LEU 464 Cb -0.13 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 2jla s LEU 464 CO 0.03 -0.51 0.84 -0.63 -1.32 0.00 0.00 176.35 174.76 2jla s ILE 465 N 1.34 4.90 -0.35 6.68 1.01 -0.06 -1.01 121.20 133.72 2jla s ILE 465 Ca 0.03 1.69 -0.06 0.00 0.00 0.00 0.00 60.65 62.31 2jla s ILE 465 Cb -0.23 -4.16 0.05 0.00 0.01 0.00 0.00 42.46 38.13 2jla s ILE 465 CO 0.00 0.08 0.12 -0.69 0.00 0.00 0.00 174.94 174.45 2jla s VAL 466 N 1.74 3.74 -0.26 2.92 1.01 0.66 -1.02 120.40 129.20 2jla s VAL 466 Ca 0.41 -1.23 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 2jla s VAL 466 Cb -0.17 -3.16 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 2jla s VAL 466 CO 0.16 -0.24 1.23 -0.69 0.00 0.00 0.00 175.10 175.57 2jla s VAL 467 N 1.38 4.28 -0.54 2.92 1.01 -0.18 -4.36 120.40 124.91 2jla s VAL 467 Ca -0.01 1.49 -0.02 0.00 0.00 0.00 0.00 61.98 63.45 2jla s VAL 467 Cb -0.20 -4.16 0.14 0.00 0.00 0.00 0.00 36.38 32.16 2jla s VAL 467 CO 0.02 -0.35 0.33 0.21 0.00 0.00 0.00 175.10 175.31 2jla s ASN 468 N 2.25 5.12 -0.27 3.32 2.47 -1.26 -1.39 114.94 125.17 2jla s ASN 468 Ca 0.53 -2.61 0.12 0.00 0.42 0.00 0.00 52.86 51.33 2jla s ASN 468 Cb -0.17 -1.81 0.69 0.00 -1.45 0.00 0.00 41.25 38.50 2jla s ASN 468 CO 0.18 -0.40 1.67 -0.46 -3.72 0.00 0.00 177.10 174.37 2jla n ASN 469 N 3.79 4.56 -3.28 -4.21 0.23 -1.26 -1.99 115.26 113.10 2jla n ASN 469 Ca 0.04 -3.18 -0.07 0.00 -0.53 0.00 0.00 54.58 50.84 2jla n ASN 469 Cb 0.38 -0.68 0.00 0.00 -2.08 0.00 0.00 39.78 37.41 2jla n ASN 469 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2jla n ASN 470 N -0.19 -6.91 0.00 0.53 5.15 -1.26 -4.03 115.26 108.54 2jla n ASN 470 Ca 0.33 -0.34 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 2jla n ASN 470 Cb 1.20 -4.21 0.00 0.00 -0.53 0.00 0.00 39.78 36.24 2jla n ASN 470 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jla n GLY 471 N -1.73 1.72 3.57 8.20 0.00 -1.26 -4.41 105.19 111.28 2jla n GLY 471 Ca -0.10 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.27 2jla n GLY 471 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jla s GLY 472 N 0.00 1.54 0.00 -0.02 0.00 0.42 -4.77 107.32 104.48 2jla s GLY 472 Ca 0.00 -2.73 0.18 0.00 0.00 0.00 0.00 44.72 42.17 2jla s GLY 472 CO 0.00 2.71 1.55 -1.06 0.00 0.00 0.00 173.10 176.30 2jla n GLN 473 N 8.51 0.18 -0.29 2.90 1.13 -1.26 -2.07 117.38 126.48 2jla n GLN 473 Ca 0.44 0.14 0.03 0.00 -1.94 0.00 0.00 57.00 55.67 2jla n GLN 473 Cb 0.47 -1.50 0.23 0.00 0.11 0.00 0.00 30.24 29.56 2jla n GLN 473 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 2jla h ILE 474 N 0.00 1.10 0.00 5.09 2.10 -1.96 0.50 117.51 124.34 2jla h ILE 474 Ca 0.00 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.58 2jla h ILE 474 Cb 0.21 -0.04 0.00 0.00 -1.09 0.00 0.00 36.82 35.90 2jla h ILE 474 CO 0.00 0.19 0.00 0.49 -1.08 0.00 0.00 178.15 177.75 2jla n PHE 475 N -4.47 0.00 0.09 2.19 3.01 -0.88 -0.67 117.46 116.73 2jla n PHE 475 Ca 0.13 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.39 2jla n PHE 475 Cb 0.16 -0.33 -0.15 0.00 -0.01 0.00 0.00 39.48 39.15 2jla n PHE 475 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2jla h SER 476 N 0.00 0.52 -0.25 4.37 0.02 -1.08 -3.38 113.55 113.75 2jla h SER 476 Ca 0.00 -0.66 -0.15 0.00 -0.84 0.00 0.00 61.79 60.14 2jla h SER 476 Cb 0.15 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 2jla h SER 476 CO 0.00 1.54 -0.42 0.25 -1.14 0.00 0.00 176.83 177.06 2jla h LEU 477 N 0.09 0.80 -9.95 5.07 5.85 -0.81 -3.45 115.31 112.91 2jla h LEU 477 Ca -0.25 -0.53 -0.51 0.00 0.84 0.00 0.00 57.88 57.44 2jla h LEU 477 Cb 2.05 -0.23 0.05 0.00 0.37 0.00 0.00 40.66 42.91 2jla h LEU 477 CO 0.19 1.18 0.51 -0.76 -0.34 0.00 0.00 178.44 179.22 2jla s LEU 478 N -8.80 4.18 -1.43 2.25 1.43 0.15 -4.90 118.68 111.56 2jla s LEU 478 Ca -0.12 2.35 -0.09 0.00 -1.03 0.00 0.00 54.13 55.24 2jla s LEU 478 Cb 0.08 -4.04 -0.09 0.00 0.03 0.00 0.00 46.19 42.18 2jla s LEU 478 CO 0.85 -0.71 2.82 -0.81 0.23 0.00 0.00 176.35 178.73 2jla n PRO 479 N 0.02 3.32 -1.98 1.29 -0.04 -1.26 -4.82 135.00 131.53 2jla n PRO 479 Ca 0.05 -2.01 -0.32 0.00 -0.04 0.00 0.00 63.50 61.18 2jla n PRO 479 Cb 0.46 -2.70 0.01 0.00 -0.04 0.00 0.00 33.50 31.24 2jla n PRO 479 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2jla s THR 480 N 2.37 4.08 0.47 0.52 -4.23 -1.26 -5.01 115.64 112.58 2jla s THR 480 Ca 0.64 0.88 -0.22 0.00 -1.18 0.00 0.00 61.69 61.81 2jla s THR 480 Cb 0.17 -3.49 -0.07 0.00 1.34 0.00 0.00 72.50 70.44 2jla s THR 480 CO -0.05 -0.69 1.13 -2.16 -0.54 0.00 0.00 174.62 172.31 2jla s PRO 481 N -4.41 3.72 0.07 3.99 0.04 -1.26 -4.97 135.00 132.17 2jla s PRO 481 Ca 0.60 1.66 -0.34 0.00 0.04 0.00 0.00 61.00 62.96 2jla s PRO 481 Cb -0.14 -2.29 -0.19 0.00 0.04 0.00 0.00 34.50 31.91 2jla s PRO 481 CO 0.42 -0.56 1.60 0.37 0.04 0.00 0.00 177.00 178.87 2jla h GLN 482 N 1.85 -1.00 -0.00 4.56 5.75 -2.01 -2.86 115.11 121.40 2jla h GLN 482 Ca -0.49 0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.07 2jla h GLN 482 Cb 1.24 0.23 0.00 0.00 1.07 0.00 0.00 27.48 30.02 2jla h GLN 482 CO 0.60 -0.66 -0.00 -1.13 -2.65 0.00 0.00 178.83 174.98 2jla n SER 483 N -5.53 0.02 0.00 -0.69 3.41 -1.26 -3.19 113.62 106.37 2jla n SER 483 Ca -0.15 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 2jla n SER 483 Cb 0.42 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2jla n SER 483 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2jla n GLU 484 N -1.03 0.54 0.29 4.33 0.00 -1.24 -4.84 120.64 118.69 2jla n GLU 484 Ca 0.22 -0.69 -0.14 0.00 0.00 0.00 0.00 57.16 56.55 2jla n GLU 484 Cb 0.14 -0.81 -0.07 0.00 0.00 0.00 0.00 31.44 30.69 2jla n GLU 484 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2jla h ARG 485 N 0.00 -0.74 -0.65 3.44 2.43 -1.46 -0.92 114.38 116.48 2jla h ARG 485 Ca 0.00 0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 2jla h ARG 485 Cb 0.43 0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.09 2jla h ARG 485 CO 0.00 -0.43 0.36 1.49 -1.51 0.00 0.00 179.97 179.87 2jla h GLU 486 N -1.08 0.64 -0.03 0.20 4.81 -1.88 0.23 114.58 117.47 2jla h GLU 486 Ca -0.08 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 2jla h GLU 486 Cb 0.64 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2jla h GLU 486 CO 0.13 0.43 -0.28 -0.09 -0.73 0.00 0.00 179.01 178.46 2jla h ARG 487 N 0.66 0.25 -0.01 1.92 2.43 -1.89 -3.31 114.38 114.43 2jla h ARG 487 Ca 0.29 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2jla h ARG 487 Cb 0.17 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2jla h ARG 487 CO -0.18 0.90 -0.40 1.19 -1.51 0.00 0.00 179.97 179.97 2jla n PHE 488 N -4.47 0.00 0.02 2.20 3.01 -0.35 -4.78 117.46 113.08 2jla n PHE 488 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 2jla n PHE 488 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 2jla n PHE 488 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2jla n TYR 489 N -0.10 -0.05 0.00 1.38 4.01 0.60 -5.00 117.16 117.99 2jla n TYR 489 Ca 0.08 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 2jla n TYR 489 Cb 0.39 0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 2jla n TYR 489 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2jla n LEU 490 N -2.79 0.00 -3.95 7.72 4.77 0.12 -4.63 117.00 118.24 2jla n LEU 490 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 2jla n LEU 490 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 2jla n LEU 490 CO 0.00 0.00 -0.39 -2.16 -1.33 0.00 0.00 177.39 173.51 2jla s PRO 492 N 0.00 0.32 0.00 3.23 0.04 -1.26 -0.44 135.00 136.89 2jla s PRO 492 Ca 0.00 -0.21 0.15 0.00 0.04 0.00 0.00 61.00 60.98 2jla s PRO 492 Cb 0.00 -0.27 0.24 0.00 0.04 0.00 0.00 34.50 34.51 2jla s PRO 492 CO 0.00 0.07 1.12 1.04 0.04 0.00 0.00 177.00 179.27 2jla n GLN 493 N 2.79 1.78 -3.80 4.56 1.13 -1.26 -4.95 117.38 117.63 2jla n GLN 493 Ca -0.14 -1.73 -0.29 0.00 -1.94 0.00 0.00 57.00 52.90 2jla n GLN 493 Cb 0.58 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.62 2jla n GLN 493 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2jla n ASN 494 N 0.84 -4.20 -3.87 1.08 3.02 -1.26 -4.95 115.26 105.91 2jla n ASN 494 Ca 0.11 -0.99 -0.09 0.00 -0.03 0.00 0.00 54.58 53.59 2jla n ASN 494 Cb 0.42 -1.45 -0.08 0.00 -0.61 0.00 0.00 39.78 38.06 2jla n ASN 494 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jla s VAL 495 N -3.11 0.14 0.44 2.41 0.11 -1.26 -5.18 120.40 113.95 2jla s VAL 495 Ca 0.12 -1.17 0.02 0.00 -2.93 0.00 0.00 61.98 58.02 2jla s VAL 495 Cb -0.07 -1.27 -0.01 0.00 -1.53 0.00 0.00 36.38 33.50 2jla s VAL 495 CO 0.84 -0.65 0.06 1.41 -3.33 0.00 0.00 175.10 173.43 2jla n HIS 496 N 0.08 0.70 -0.18 1.54 8.25 -1.26 -5.01 115.22 119.34 2jla n HIS 496 Ca -0.16 -2.39 0.00 0.00 -0.26 0.00 0.00 57.72 54.91 2jla n HIS 496 Cb 0.62 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.54 2jla n HIS 496 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2jla n PHE 497 N -1.05 0.00 -0.29 4.41 3.72 -1.26 -4.65 117.46 118.34 2jla n PHE 497 Ca -0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.26 2jla n PHE 497 Cb 0.59 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.19 2jla n PHE 497 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2jla h GLU 498 N 0.00 -0.05 -0.27 -1.08 4.81 -1.98 -0.46 114.58 115.56 2jla h GLU 498 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 2jla h GLU 498 Cb 0.09 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2jla h GLU 498 CO 0.00 -0.03 -0.33 0.45 -0.73 0.00 0.00 179.01 178.37 2jla h HIS 499 N -0.05 0.67 0.61 0.92 3.86 -1.99 -0.90 115.15 118.27 2jla h HIS 499 Ca 0.33 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.34 2jla h HIS 499 Cb 0.59 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 28.91 2jla h HIS 499 CO -0.71 0.83 -0.29 0.00 0.86 0.00 0.00 177.93 178.62 2jla h ALA 500 N 1.15 -0.82 -0.75 2.45 0.00 -1.67 -2.76 119.26 116.86 2jla h ALA 500 Ca 0.06 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.93 2jla h ALA 500 Cb 0.81 0.32 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 2jla h ALA 500 CO 0.07 -0.93 -0.17 0.00 0.00 0.00 0.00 179.25 178.22 2jla h ALA 501 N -0.52 0.52 0.00 0.00 0.00 -1.03 -2.64 119.26 115.58 2jla h ALA 501 Ca -0.08 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2jla h ALA 501 Cb 0.65 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jla h ALA 501 CO 0.14 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.97 2jla n ALA 502 N -3.22 1.23 0.00 0.00 0.00 -0.35 -1.15 120.51 117.02 2jla n ALA 502 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2jla n ALA 502 Cb 0.39 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2jla n ALA 502 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2jla n PHE 504 N 0.81 0.00 -3.38 0.00 3.72 -1.00 -4.44 117.46 113.18 2jla n PHE 504 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.16 2jla n PHE 504 Cb 0.00 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 2jla n PHE 504 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2jla n GLU 505 N 0.00 -3.88 -4.22 -1.08 1.02 -0.86 -4.84 120.64 106.79 2jla n GLU 505 Ca 0.00 0.56 -0.35 0.00 -0.02 0.00 0.00 57.16 57.36 2jla n GLU 505 Cb 0.00 -5.32 -0.08 0.00 -0.02 0.00 0.00 31.44 26.02 2jla n GLU 505 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2jla s LEU 506 N -6.62 3.80 0.21 -4.62 1.43 -0.30 -5.06 118.68 107.51 2jla s LEU 506 Ca 0.42 0.20 -0.32 0.00 -1.03 0.00 0.00 54.13 53.40 2jla s LEU 506 Cb -0.21 -1.97 -0.13 0.00 0.03 0.00 0.00 46.19 43.91 2jla s LEU 506 CO 0.52 0.36 1.58 1.17 0.23 0.00 0.00 176.35 180.21 2jla n LYS 507 N 1.87 2.38 -5.02 1.70 4.81 -1.21 -4.38 118.16 118.32 2jla n LYS 507 Ca -0.18 0.85 -0.27 0.00 -0.87 0.00 0.00 58.31 57.84 2jla n LYS 507 Cb 0.54 -2.62 -0.16 0.00 0.02 0.00 0.00 35.03 32.81 2jla n LYS 507 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 2jla s TYR 508 N 0.63 1.89 0.14 5.64 5.04 -1.26 -0.54 117.35 128.89 2jla s TYR 508 Ca 0.73 -0.40 0.03 0.00 -2.44 0.00 0.00 57.07 54.99 2jla s TYR 508 Cb -0.60 -1.23 -0.04 0.00 0.35 0.00 0.00 41.96 40.44 2jla s TYR 508 CO 0.41 -0.07 -0.07 -1.01 -1.34 0.00 0.00 175.55 173.47 2jla s HIS 509 N -0.39 1.14 -0.44 4.97 3.76 -0.01 -4.99 115.29 119.34 2jla s HIS 509 Ca 0.05 -0.86 0.06 0.00 -0.15 0.00 0.00 55.06 54.17 2jla s HIS 509 Cb -0.09 -0.62 0.22 0.00 1.11 0.00 0.00 32.58 33.20 2jla s HIS 509 CO -0.00 -0.05 0.59 -2.13 -0.85 0.00 0.00 174.74 172.30 2jla n ARG 510 N -0.16 0.55 -1.96 1.40 0.63 -1.26 -1.02 116.66 114.84 2jla n ARG 510 Ca -0.10 -2.67 -0.39 0.00 -0.92 0.00 0.00 57.85 53.77 2jla n ARG 510 Cb 0.61 -1.44 0.01 0.00 0.45 0.00 0.00 32.46 32.10 2jla n ARG 510 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2jla s PRO 511 N -0.06 3.59 0.00 -0.14 0.04 -1.25 -4.96 135.00 132.21 2jla s PRO 511 Ca 0.33 2.14 0.03 0.00 0.04 0.00 0.00 61.00 63.55 2jla s PRO 511 Cb 0.12 -2.49 -0.00 0.00 0.04 0.00 0.00 34.50 32.16 2jla s PRO 511 CO -0.15 -0.80 0.36 1.04 0.04 0.00 0.00 177.00 177.49 2jla n GLN 512 N -0.45 2.87 -4.00 4.56 6.02 -1.26 -4.68 117.38 120.44 2jla n GLN 512 Ca 0.07 -0.34 -0.09 0.00 -0.01 0.00 0.00 57.00 56.63 2jla n GLN 512 Cb 0.45 -0.85 -0.05 0.00 1.02 0.00 0.00 30.24 30.81 2jla n GLN 512 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jla s ASN 513 N -0.81 -0.09 0.37 1.08 2.20 -1.26 -5.02 114.94 111.41 2jla s ASN 513 Ca 0.03 -0.93 0.11 0.00 -0.94 0.00 0.00 52.86 51.12 2jla s ASN 513 Cb 0.03 0.59 0.87 0.00 -2.00 0.00 0.00 41.25 40.74 2jla s ASN 513 CO 0.09 -1.15 1.88 -0.50 -2.94 0.00 0.00 177.10 174.48 2jla h TRP 514 N 2.25 0.74 -0.37 1.54 4.06 -1.96 -1.14 115.95 121.07 2jla h TRP 514 Ca -0.26 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.69 2jla h TRP 514 Cb 1.25 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 29.16 2jla h TRP 514 CO 0.41 0.27 0.14 0.37 -3.56 0.00 0.00 178.44 176.07 2jla h GLN 515 N 0.63 0.55 -0.04 0.49 5.75 -1.99 -1.00 115.11 119.49 2jla h GLN 515 Ca 0.43 -0.10 -0.06 0.00 -0.15 0.00 0.00 58.65 58.76 2jla h GLN 515 Cb 0.76 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 2jla h GLN 515 CO -0.19 0.54 -0.28 0.93 -2.65 0.00 0.00 178.83 177.19 2jla h GLU 516 N 0.45 0.08 -0.14 1.69 5.08 -1.64 -1.15 114.58 118.94 2jla h GLU 516 Ca 0.12 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 2jla h GLU 516 Cb 0.20 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2jla h GLU 516 CO -0.01 0.35 -0.42 1.25 -1.00 0.00 0.00 179.01 179.18 2jla h LEU 517 N 0.07 0.34 -0.42 1.33 5.85 -0.92 -1.19 115.31 120.36 2jla h LEU 517 Ca 0.01 -0.15 -0.17 0.00 0.84 0.00 0.00 57.88 58.42 2jla h LEU 517 Cb 0.53 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2jla h LEU 517 CO 0.04 0.72 -0.50 -0.08 -0.34 0.00 0.00 178.44 178.28 2jla h GLU 518 N 0.27 0.76 -0.29 1.25 4.57 -0.04 -2.83 114.58 118.27 2jla h GLU 518 Ca 0.02 -0.45 -0.16 0.00 -1.18 0.00 0.00 59.36 57.59 2jla h GLU 518 Cb 0.85 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.48 2jla h GLU 518 CO 0.07 1.08 -0.45 1.15 -1.18 0.00 0.00 179.01 179.68 2jla h THR 519 N 0.59 1.29 -0.73 0.32 2.02 -1.20 -1.12 112.91 114.09 2jla h THR 519 Ca 0.02 -1.63 0.11 0.00 0.77 0.00 0.00 66.41 65.68 2jla h THR 519 Cb 1.08 1.54 -0.05 0.00 -1.74 0.00 0.00 68.15 68.98 2jla h THR 519 CO 0.11 0.53 0.48 0.00 0.37 0.00 0.00 175.52 177.00 2jla h ALA 520 N 0.90 1.94 0.00 6.16 0.00 -1.18 -3.03 119.26 124.05 2jla h ALA 520 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2jla h ALA 520 Cb 1.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2jla h ALA 520 CO 0.10 -0.11 -1.24 1.19 0.00 0.00 0.00 179.25 179.19 2jla n PHE 521 N -4.49 0.82 -0.35 0.00 3.72 -0.99 -3.77 117.46 112.41 2jla n PHE 521 Ca 0.13 0.25 0.07 0.00 -0.05 0.00 0.00 57.45 57.85 2jla n PHE 521 Cb 0.40 -0.92 0.24 0.00 -0.94 0.00 0.00 39.48 38.26 2jla n PHE 521 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jla h ALA 522 N 1.88 1.47 0.00 4.37 0.00 -1.08 -1.93 119.26 123.97 2jla h ALA 522 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jla h ALA 522 Cb 1.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2jla h ALA 522 CO 0.01 0.14 -0.86 -0.44 0.00 0.00 0.00 179.25 178.09 2jla h ASP 523 N 0.90 0.00 0.86 0.00 3.32 -1.71 -3.41 116.42 116.38 2jla h ASP 523 Ca 0.49 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.35 2jla h ASP 523 Cb 0.55 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2jla h ASP 523 CO -0.29 0.02 -0.74 0.00 -1.72 0.00 0.00 179.24 176.51 2jla h ALA 524 N 2.09 0.71 -0.72 3.45 0.00 -1.44 -3.21 119.26 120.15 2jla h ALA 524 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2jla h ALA 524 Cb 0.95 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2jla h ALA 524 CO 0.00 0.92 0.00 0.91 0.00 0.00 0.00 179.25 181.08 2jla n TRP 525 N -3.55 1.18 -0.08 0.00 5.03 -1.25 -4.53 117.44 114.23 2jla n TRP 525 Ca -0.00 -0.54 -0.23 0.00 3.03 0.00 0.00 57.50 59.76 2jla n TRP 525 Cb 0.74 -0.08 -0.12 0.00 -1.03 0.00 0.00 31.31 30.82 2jla n TRP 525 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 2jla n ARG 526 N 1.52 0.64 -4.00 -0.99 1.74 -1.21 -4.87 116.66 109.49 2jla n ARG 526 Ca 0.25 0.35 -0.34 0.00 -0.77 0.00 0.00 57.85 57.34 2jla n ARG 526 Cb 0.72 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 30.45 2jla n ARG 526 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2jla s THR 527 N -2.47 5.15 -1.45 0.55 -1.32 -1.26 -4.94 115.64 109.89 2jla s THR 527 Ca -0.30 -0.13 -0.09 0.00 -1.21 0.00 0.00 61.69 59.96 2jla s THR 527 Cb 0.08 -3.32 -0.09 0.00 -1.51 0.00 0.00 72.50 67.67 2jla s THR 527 CO 0.62 0.45 2.81 -0.81 -2.21 0.00 0.00 174.62 175.49 2jla n PRO 528 N 1.45 3.35 -4.22 7.08 -0.04 -1.26 -3.51 135.00 137.84 2jla n PRO 528 Ca -0.15 -2.02 -0.13 0.00 -0.04 0.00 0.00 63.50 61.16 2jla n PRO 528 Cb 0.53 -2.71 -0.10 0.00 -0.04 0.00 0.00 33.50 31.18 2jla n PRO 528 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2jla s THR 529 N 2.38 0.41 -0.06 0.52 -4.23 -1.26 -4.50 115.64 108.90 2jla s THR 529 Ca 0.64 -1.96 -0.18 0.00 -1.18 0.00 0.00 61.69 59.01 2jla s THR 529 Cb 0.17 -2.23 -0.05 0.00 1.34 0.00 0.00 72.50 71.73 2jla s THR 529 CO -0.05 -0.34 0.48 -0.89 -0.54 0.00 0.00 174.62 173.28 2jla s THR 530 N -3.84 5.07 -0.13 3.99 2.01 -1.26 -2.45 115.64 119.03 2jla s THR 530 Ca 0.28 0.98 0.02 0.00 0.31 0.00 0.00 61.69 63.29 2jla s THR 530 Cb 0.07 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.77 2jla s THR 530 CO 0.06 0.42 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.31 2jla s THR 531 N -0.07 2.21 -0.17 -0.82 2.01 0.50 -3.34 115.64 115.97 2jla s THR 531 Ca 0.26 -0.94 -0.17 0.00 0.31 0.00 0.00 61.69 61.16 2jla s THR 531 Cb -0.16 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 2jla s THR 531 CO 0.13 0.55 0.42 -0.69 -0.69 0.00 0.00 174.62 174.34 2jla s VAL 532 N 0.66 5.20 -0.27 3.82 1.01 0.30 -0.72 120.40 130.39 2jla s VAL 532 Ca -0.10 0.80 0.01 0.00 0.00 0.00 0.00 61.98 62.68 2jla s VAL 532 Cb -0.16 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.51 2jla s VAL 532 CO 0.02 0.28 -0.07 -0.63 0.00 0.00 0.00 175.10 174.71 2jla s ILE 533 N 1.02 2.54 0.00 2.22 1.01 -0.18 -0.83 121.20 126.98 2jla s ILE 533 Ca 0.22 -1.49 0.00 0.00 0.00 0.00 0.00 60.65 59.38 2jla s ILE 533 Cb -0.15 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.86 2jla s ILE 533 CO 0.08 -0.04 0.00 1.21 0.00 0.00 0.00 174.94 176.20 2jla n GLU 534 N 4.53 1.05 -3.47 2.79 2.13 -0.19 -0.24 120.64 127.24 2jla n GLU 534 Ca -0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.69 2jla n GLU 534 Cb 0.43 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.09 2jla n GLU 534 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jla s VAL 536 N 0.45 -0.39 0.02 6.31 1.01 -1.26 -3.97 120.40 122.57 2jla s VAL 536 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2jla s VAL 536 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 2jla s VAL 536 CO 0.00 0.00 -0.04 -0.69 0.00 0.00 0.00 175.10 174.37 2jla s VAL 537 N 2.18 0.28 0.12 2.92 1.01 -0.84 -4.98 120.40 121.09 2jla s VAL 537 Ca -0.04 -0.67 -0.33 0.00 0.00 0.00 0.00 61.98 60.94 2jla s VAL 537 Cb -0.06 -0.34 -0.12 0.00 0.00 0.00 0.00 36.38 35.86 2jla s VAL 537 CO -0.17 -0.25 1.74 0.59 0.00 0.00 0.00 175.10 177.01 2jla n ASN 538 N 2.08 3.64 -0.32 3.32 3.02 -1.26 -4.31 115.26 121.43 2jla n ASN 538 Ca -0.19 1.03 0.07 0.00 -0.03 0.00 0.00 54.58 55.46 2jla n ASN 538 Cb 0.56 -1.49 0.15 0.00 -0.61 0.00 0.00 39.78 38.40 2jla n ASN 538 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2jla n ASP 539 N 4.75 -0.28 -0.26 6.41 5.68 -1.26 -2.63 116.55 128.97 2jla n ASP 539 Ca 0.18 1.54 0.09 0.00 -0.50 0.00 0.00 54.79 56.10 2jla n ASP 539 Cb 0.33 -0.48 -0.04 0.00 -1.14 0.00 0.00 41.12 39.79 2jla n ASP 539 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 2jla n THR 540 N -5.43 0.00 -0.14 2.12 5.66 -1.26 -4.54 114.28 110.69 2jla n THR 540 Ca 0.16 -0.23 -0.09 0.00 -3.05 0.00 0.00 64.05 60.84 2jla n THR 540 Cb 0.50 1.13 -0.01 0.00 -1.55 0.00 0.00 70.33 70.40 2jla n THR 540 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2jla h ASP 541 N 1.26 0.56 0.20 1.09 3.32 -1.90 -2.91 116.42 118.04 2jla h ASP 541 Ca 0.00 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 56.88 2jla h ASP 541 Cb 0.54 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 2jla h ASP 541 CO 0.00 0.59 -0.51 1.23 -1.72 0.00 0.00 179.24 178.82 2jla h GLY 542 N 0.50 -1.19 0.03 2.75 0.00 -1.80 -0.73 103.07 102.63 2jla h GLY 542 Ca 0.13 0.63 0.13 0.00 0.00 0.00 0.00 47.33 48.23 2jla h GLY 542 CO -0.01 -0.29 0.09 0.00 0.00 0.00 0.00 176.54 176.32 2jla h ALA 543 N -0.65 0.72 -0.26 3.60 0.00 -1.87 -2.20 119.26 118.61 2jla h ALA 543 Ca -0.02 0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 2jla h ALA 543 Cb 0.77 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2jla h ALA 543 CO -0.23 -0.35 -0.50 1.96 0.00 0.00 0.00 179.25 180.12 2jla h GLN 544 N 0.20 0.72 -0.72 0.00 4.20 -1.30 -1.40 115.11 116.81 2jla h GLN 544 Ca 0.34 -0.43 0.03 0.00 0.06 0.00 0.00 58.65 58.65 2jla h GLN 544 Cb 0.55 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 2jla h GLN 544 CO -0.48 1.05 0.46 1.15 -0.67 0.00 0.00 178.83 180.34 2jla h THR 545 N 0.57 1.12 0.10 -0.54 2.02 -0.74 0.12 112.91 115.55 2jla h THR 545 Ca 0.02 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 2jla h THR 545 Cb 1.07 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2jla h THR 545 CO 0.10 0.16 -0.05 0.25 0.37 0.00 0.00 175.52 176.36 2jla h LEU 546 N 0.90 -0.11 -0.72 2.58 5.85 -1.14 0.89 115.31 123.57 2jla h LEU 546 Ca 0.29 -0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.05 2jla h LEU 546 Cb -0.00 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 40.96 2jla h LEU 546 CO -0.10 0.02 0.26 1.56 -0.34 0.00 0.00 178.44 179.84 2jla h GLN 547 N -0.23 0.39 -0.30 1.25 4.20 -0.89 0.29 115.11 119.82 2jla h GLN 547 Ca -0.01 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 2jla h GLN 547 Cb 0.19 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2jla h GLN 547 CO 0.02 0.25 -0.24 1.96 -0.67 0.00 0.00 178.83 180.16 2jla h GLN 548 N 0.40 0.68 -0.38 1.46 4.20 -0.56 -1.25 115.11 119.66 2jla h GLN 548 Ca 0.39 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 2jla h GLN 548 Cb 0.60 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 2jla h GLN 548 CO -0.41 0.95 0.04 -0.07 -0.67 0.00 0.00 178.83 178.67 2jla h LEU 549 N 0.43 0.53 0.71 1.46 3.38 -0.28 0.18 115.31 121.72 2jla h LEU 549 Ca 0.05 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2jla h LEU 549 Cb 0.79 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.41 2jla h LEU 549 CO 0.06 0.57 -0.34 0.25 0.09 0.00 0.00 178.44 179.08 2jla h LEU 550 N 0.55 -0.80 -0.96 1.67 5.85 -0.31 -2.01 115.31 119.30 2jla h LEU 550 Ca 0.12 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.90 2jla h LEU 550 Cb 0.29 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 2jla h LEU 550 CO 0.00 -0.54 0.63 0.00 -0.34 0.00 0.00 178.44 178.19 2jla h ALA 551 N -0.74 1.30 -0.82 1.25 0.00 -0.88 -2.08 119.26 117.29 2jla h ALA 551 Ca -0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2jla h ALA 551 Cb 0.74 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2jla h ALA 551 CO 0.16 0.47 0.38 0.37 0.00 0.00 0.00 179.25 180.63 2jla h GLN 552 N 1.18 1.19 0.01 0.00 4.15 -0.64 -3.13 115.11 117.88 2jla h GLN 552 Ca 0.40 -0.18 -0.19 0.00 0.77 0.00 0.00 58.65 59.44 2jla h GLN 552 Cb 0.06 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 2jla h GLN 552 CO -0.14 0.92 -0.90 0.28 -1.93 0.00 0.00 178.83 177.07 2jla h VAL 553 N 1.17 1.57 0.00 2.39 2.07 -0.73 -3.04 116.25 119.68 2jla h VAL 553 Ca 0.28 -2.86 0.00 0.00 0.82 0.00 0.00 66.70 64.94 2jla h VAL 553 Cb 0.14 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2jla h VAL 553 CO -0.03 0.82 0.00 0.77 0.02 0.00 0.00 177.57 179.15 2jla h SER 554 N 0.04 0.00 0.32 0.57 4.64 -1.35 -2.37 113.55 115.41 2jla h SER 554 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2jla h SER 554 Cb 1.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 2jla h SER 554 CO 0.13 0.00 -0.42 1.41 -0.87 0.00 0.00 176.83 177.08 2jla n HIS 555 N -2.34 0.00 0.14 4.77 -0.00 -1.15 -4.59 115.22 112.05 2jla n HIS 555 Ca 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.75 2jla n HIS 555 Cb 0.22 -0.16 0.07 0.00 -0.00 0.00 0.00 29.99 30.12 2jla n HIS 555 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62