#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dm3 s ILE 5 N 0.00 3.82 0.32 -1.33 -1.09 -1.26 0.22 121.20 121.87 1dm3 s ILE 5 Ca 0.00 -0.39 0.08 0.00 -2.23 0.00 0.00 60.65 58.11 1dm3 s ILE 5 Cb 0.00 -2.65 -0.06 0.00 -1.58 0.00 0.00 42.46 38.17 1dm3 s ILE 5 CO 0.00 0.51 -0.08 0.68 -1.23 0.00 0.00 174.94 174.83 1dm3 s VAL 6 N 0.15 2.01 -0.63 2.92 -7.23 0.12 -1.92 120.40 115.82 1dm3 s VAL 6 Ca -0.02 -2.17 -0.15 0.00 -1.81 0.00 0.00 61.98 57.83 1dm3 s VAL 6 Cb -0.14 -2.60 0.16 0.00 0.56 0.00 0.00 36.38 34.36 1dm3 s VAL 6 CO 0.03 -0.22 0.59 -0.63 -0.31 0.00 0.00 175.10 174.56 1dm3 s ILE 7 N -2.76 5.33 0.10 -0.62 1.01 0.21 -1.78 121.20 122.68 1dm3 s ILE 7 Ca 0.32 -1.80 -0.20 0.00 0.00 0.00 0.00 60.65 58.97 1dm3 s ILE 7 Cb 0.03 -4.38 -0.08 0.00 0.01 0.00 0.00 42.46 38.04 1dm3 s ILE 7 CO 0.15 -0.93 1.67 0.00 0.00 0.00 0.00 174.94 175.83 1dm3 h ALA 8 N 8.55 0.26 -2.86 9.38 0.00 -0.46 -1.41 119.26 132.71 1dm3 h ALA 8 Ca -0.17 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 1dm3 h ALA 8 Cb 1.08 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 1dm3 h ALA 8 CO 0.95 -0.18 -0.17 -1.54 0.00 0.00 0.00 179.25 178.31 1dm3 s SER 9 N -5.55 0.38 0.02 0.00 1.04 -1.22 -4.02 113.70 104.35 1dm3 s SER 9 Ca -0.13 -1.23 -0.28 0.00 0.48 0.00 0.00 55.95 54.78 1dm3 s SER 9 Cb 0.08 0.62 0.08 0.00 0.10 0.00 0.00 66.02 66.89 1dm3 s SER 9 CO 0.70 -1.22 0.69 0.00 0.98 0.00 0.00 173.24 174.39 1dm3 s ALA 10 N -3.50 -1.73 -0.03 5.32 0.00 -1.26 -1.51 121.76 119.05 1dm3 s ALA 10 Ca 0.27 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.98 1dm3 s ALA 10 Cb -0.00 0.27 0.08 0.00 0.00 0.00 0.00 23.12 23.47 1dm3 s ALA 10 CO 0.14 -0.52 0.73 0.00 0.00 0.00 0.00 175.76 176.12 1dm3 s ALA 11 N -2.15 -1.77 -0.01 0.00 0.00 -0.52 -4.80 121.76 112.52 1dm3 s ALA 11 Ca -0.06 1.21 -0.06 0.00 0.00 0.00 0.00 51.96 53.05 1dm3 s ALA 11 Cb -0.00 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1dm3 s ALA 11 CO 0.01 -0.45 0.12 -0.98 0.00 0.00 0.00 175.76 174.46 1dm3 s ARG 12 N -1.72 0.40 0.84 0.00 1.70 -0.38 -0.75 118.95 119.03 1dm3 s ARG 12 Ca -0.06 -0.29 -0.12 0.00 -0.47 0.00 0.00 55.73 54.78 1dm3 s ARG 12 Cb -0.00 0.17 0.09 0.00 -0.57 0.00 0.00 34.95 34.64 1dm3 s ARG 12 CO 0.04 -0.09 1.15 0.95 -1.08 0.00 0.00 175.30 176.27 1dm3 s THR 13 N -1.08 2.23 0.87 4.99 -4.23 0.18 -1.29 115.64 117.31 1dm3 s THR 13 Ca -0.12 0.08 -0.11 0.00 -1.18 0.00 0.00 61.69 60.36 1dm3 s THR 13 Cb -0.06 -2.96 0.11 0.00 1.34 0.00 0.00 72.50 70.93 1dm3 s THR 13 CO 0.01 -0.10 1.10 0.00 -0.54 0.00 0.00 174.62 175.09 1dm3 s ALA 14 N -3.41 1.67 -0.28 3.99 0.00 -1.26 -4.74 121.76 117.73 1dm3 s ALA 14 Ca 0.62 0.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.67 1dm3 s ALA 14 Cb -0.13 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1dm3 s ALA 14 CO 0.51 -2.33 0.39 0.08 0.00 0.00 0.00 175.76 174.42 1dm3 s VAL 15 N -2.81 5.15 0.68 0.00 1.01 -1.26 -4.69 120.40 118.47 1dm3 s VAL 15 Ca 0.64 0.51 -0.12 0.00 0.00 0.00 0.00 61.98 63.01 1dm3 s VAL 15 Cb -0.19 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1dm3 s VAL 15 CO 0.57 0.09 1.06 -0.83 0.00 0.00 0.00 175.10 176.00 1dm3 s GLY 16 N 1.66 1.77 0.47 4.51 0.00 0.05 -2.73 107.32 113.04 1dm3 s GLY 16 Ca 0.15 0.16 -0.04 0.00 0.00 0.00 0.00 44.72 44.99 1dm3 s GLY 16 CO 0.10 0.47 0.75 -0.56 0.00 0.00 0.00 173.10 173.87 1dm3 s SER 17 N -3.55 6.17 0.07 1.64 0.01 -1.26 -2.98 113.70 113.80 1dm3 s SER 17 Ca 0.59 0.78 -0.31 0.00 1.31 0.00 0.00 55.95 58.33 1dm3 s SER 17 Cb -0.15 -2.11 -0.10 0.00 0.21 0.00 0.00 66.02 63.88 1dm3 s SER 17 CO 0.51 -0.59 1.91 0.33 0.41 0.00 0.00 173.24 175.81 1dm3 n PHE 18 N -2.20 2.55 -3.17 2.43 7.35 -1.17 -1.60 117.46 121.65 1dm3 n PHE 18 Ca 0.00 -0.25 -0.23 0.00 -0.76 0.00 0.00 57.45 56.21 1dm3 n PHE 18 Cb 0.56 -2.76 0.03 0.00 0.35 0.00 0.00 39.48 37.66 1dm3 n PHE 18 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1dm3 n ASN 19 N 6.59 -5.79 0.00 -2.13 3.02 -1.26 -4.92 115.26 110.77 1dm3 n ASN 19 Ca 0.19 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1dm3 n ASN 19 Cb 0.38 -4.67 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 1dm3 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dm3 n GLY 20 N -1.54 1.58 0.23 7.41 0.00 -0.63 -4.70 105.19 107.54 1dm3 n GLY 20 Ca -0.08 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.62 1dm3 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm3 h ALA 21 N -0.16 0.69 -0.66 4.61 0.00 -1.92 -2.03 119.26 119.79 1dm3 h ALA 21 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1dm3 h ALA 21 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1dm3 h ALA 21 CO 0.00 -0.33 0.00 1.19 0.00 0.00 0.00 179.25 180.11 1dm3 n PHE 22 N -5.16 1.43 -0.35 0.00 3.72 -1.26 -4.71 117.46 111.13 1dm3 n PHE 22 Ca 0.09 -0.58 0.33 0.00 -0.05 0.00 0.00 57.45 57.23 1dm3 n PHE 22 Cb 0.33 -0.21 0.58 0.00 -0.94 0.00 0.00 39.48 39.24 1dm3 n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1dm3 n ALA 23 N 1.21 1.07 -1.15 4.37 0.00 -0.77 -0.11 120.51 125.14 1dm3 n ALA 23 Ca 0.26 0.88 0.08 0.00 0.00 0.00 0.00 53.44 54.66 1dm3 n ALA 23 Cb 0.86 -0.95 0.19 0.00 0.00 0.00 0.00 19.45 19.54 1dm3 n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1dm3 n ASN 24 N -4.87 2.73 -4.60 0.00 3.02 -1.26 -4.31 115.26 105.98 1dm3 n ASN 24 Ca 0.36 -3.24 -0.38 0.00 -0.03 0.00 0.00 54.58 51.30 1dm3 n ASN 24 Cb 1.29 -0.50 -0.11 0.00 -0.61 0.00 0.00 39.78 39.86 1dm3 n ASN 24 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1dm3 s THR 25 N -2.95 5.28 0.23 3.41 2.01 0.85 -5.06 115.64 119.41 1dm3 s THR 25 Ca 0.37 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.23 1dm3 s THR 25 Cb 0.32 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 69.24 1dm3 s THR 25 CO 0.03 0.28 1.35 -2.16 -0.69 0.00 0.00 174.62 173.43 1dm3 s PRO 26 N 1.58 4.34 0.29 4.92 0.04 -1.26 -4.82 135.00 140.09 1dm3 s PRO 26 Ca 0.07 2.16 0.03 0.00 0.04 0.00 0.00 61.00 63.30 1dm3 s PRO 26 Cb -0.15 -3.15 0.75 0.00 0.04 0.00 0.00 34.50 31.98 1dm3 s PRO 26 CO 0.09 -0.30 1.64 0.00 0.04 0.00 0.00 177.00 178.47 1dm3 h ALA 27 N 5.05 1.33 -0.09 8.56 0.00 -1.91 0.19 119.26 132.39 1dm3 h ALA 27 Ca -0.46 0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1dm3 h ALA 27 Cb 1.22 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1dm3 h ALA 27 CO 0.76 -0.49 0.07 1.12 0.00 0.00 0.00 179.25 180.72 1dm3 h HIS 28 N 0.21 0.00 -0.03 0.00 2.07 -1.90 -0.41 115.15 115.09 1dm3 h HIS 28 Ca 0.57 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 58.09 1dm3 h HIS 28 Cb 1.17 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.15 1dm3 h HIS 28 CO -0.25 0.00 -0.00 0.93 -3.07 0.00 0.00 177.93 175.54 1dm3 h GLU 29 N 0.00 0.05 -0.69 5.12 5.08 -0.97 0.77 114.58 123.94 1dm3 h GLU 29 Ca 0.04 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1dm3 h GLU 29 Cb 0.19 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 1dm3 h GLU 29 CO -0.00 0.35 0.38 -0.07 -1.00 0.00 0.00 179.01 178.67 1dm3 h LEU 30 N -0.26 0.56 -0.24 1.33 3.38 -1.25 -2.59 115.31 116.25 1dm3 h LEU 30 Ca 0.01 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1dm3 h LEU 30 Cb 0.33 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1dm3 h LEU 30 CO 0.00 0.36 0.14 1.23 0.09 0.00 0.00 178.44 180.26 1dm3 h GLY 31 N 0.70 0.35 -0.45 0.83 0.00 -0.87 -2.81 103.07 100.81 1dm3 h GLY 31 Ca 0.31 -0.15 0.10 0.00 0.00 0.00 0.00 47.33 47.59 1dm3 h GLY 31 CO -0.19 0.14 -0.38 0.00 0.00 0.00 0.00 176.54 176.11 1dm3 h ALA 32 N 1.03 -0.17 -0.72 3.60 0.00 -0.46 0.33 119.26 122.87 1dm3 h ALA 32 Ca 0.08 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1dm3 h ALA 32 Cb 0.04 0.86 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1dm3 h ALA 32 CO -0.02 -0.75 0.47 1.15 0.00 0.00 0.00 179.25 180.11 1dm3 h THR 33 N -0.20 1.01 0.00 0.00 2.02 -1.44 0.10 112.91 114.40 1dm3 h THR 33 Ca 0.21 -0.25 -0.10 0.00 0.77 0.00 0.00 66.41 67.04 1dm3 h THR 33 Cb 0.56 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1dm3 h THR 33 CO -0.68 0.13 -0.48 0.58 0.37 0.00 0.00 175.52 175.45 1dm3 h VAL 34 N 0.73 0.86 -0.11 3.16 2.07 -0.57 -1.86 116.25 120.52 1dm3 h VAL 34 Ca 0.31 -2.08 -0.06 0.00 0.82 0.00 0.00 66.70 65.70 1dm3 h VAL 34 Cb 0.28 2.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1dm3 h VAL 34 CO -0.10 0.47 -0.16 0.40 0.02 0.00 0.00 177.57 178.19 1dm3 h ILE 35 N 0.00 1.37 -0.68 4.57 2.04 0.18 -2.21 117.51 122.78 1dm3 h ILE 35 Ca -0.00 -1.38 -0.04 0.00 1.00 0.00 0.00 64.86 64.44 1dm3 h ILE 35 Cb 1.29 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 39.34 1dm3 h ILE 35 CO 0.06 0.40 0.26 0.28 0.00 0.00 0.00 178.15 179.14 1dm3 h SER 36 N -0.11 0.93 0.15 1.72 0.02 -0.92 -2.30 113.55 113.05 1dm3 h SER 36 Ca 0.01 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1dm3 h SER 36 Cb 0.71 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1dm3 h SER 36 CO 0.04 0.84 -0.07 0.00 -1.14 0.00 0.00 176.83 176.49 1dm3 h ALA 37 N 1.29 -0.21 -0.73 3.77 0.00 -1.29 0.54 119.26 122.63 1dm3 h ALA 37 Ca 0.23 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1dm3 h ALA 37 Cb 0.21 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1dm3 h ALA 37 CO -0.02 -0.56 0.47 -0.39 0.00 0.00 0.00 179.25 178.75 1dm3 h VAL 38 N -0.32 1.13 0.44 0.00 -1.51 -1.31 0.33 116.25 115.02 1dm3 h VAL 38 Ca -0.02 -0.32 -0.01 0.00 -1.23 0.00 0.00 66.70 65.12 1dm3 h VAL 38 Cb 0.26 0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 29.53 1dm3 h VAL 38 CO 0.03 0.17 -0.32 -0.07 -1.23 0.00 0.00 177.57 176.15 1dm3 h LEU 39 N 0.93 -0.84 -0.98 4.19 -0.00 -1.29 -2.95 115.31 114.37 1dm3 h LEU 39 Ca 0.28 0.06 -0.06 0.00 -0.00 0.00 0.00 57.88 58.17 1dm3 h LEU 39 Cb -0.03 0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 40.87 1dm3 h LEU 39 CO -0.09 -0.49 0.12 -0.08 -0.00 0.00 0.00 178.44 177.90 1dm3 h GLU 40 N -0.75 0.86 0.00 1.13 4.22 -0.46 -0.78 114.58 118.80 1dm3 h GLU 40 Ca -0.04 -0.19 0.00 0.00 0.08 0.00 0.00 59.36 59.21 1dm3 h GLU 40 Cb 0.64 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1dm3 h GLU 40 CO 0.01 0.78 0.00 0.54 -2.18 0.00 0.00 179.01 178.17 1dm3 n ARG 41 N -4.26 0.03 0.00 1.92 1.74 0.11 -1.97 116.66 114.23 1dm3 n ARG 41 Ca 0.04 0.35 0.01 0.00 -0.77 0.00 0.00 57.85 57.48 1dm3 n ARG 41 Cb 0.24 -1.56 -0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1dm3 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dm3 n ALA 42 N -1.54 2.40 -2.30 7.54 0.00 -1.05 -4.90 120.51 120.66 1dm3 n ALA 42 Ca 0.02 -0.30 -0.06 0.00 0.00 0.00 0.00 53.44 53.10 1dm3 n ALA 42 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1dm3 n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dm3 n GLY 43 N 0.59 0.24 3.54 0.00 0.00 -0.83 -4.85 105.19 103.87 1dm3 n GLY 43 Ca 0.01 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 1dm3 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dm3 s VAL 44 N -2.51 3.44 0.33 1.61 1.01 -0.36 -5.03 120.40 118.90 1dm3 s VAL 44 Ca 0.04 -0.58 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 1dm3 s VAL 44 Cb -0.02 -2.38 -0.10 0.00 0.00 0.00 0.00 36.38 33.88 1dm3 s VAL 44 CO 0.05 0.60 0.97 0.00 0.00 0.00 0.00 175.10 176.72 1dm3 s ALA 45 N -0.78 3.20 0.46 5.51 0.00 -1.26 -4.38 121.76 124.51 1dm3 s ALA 45 Ca 0.12 0.58 0.17 0.00 0.00 0.00 0.00 51.96 52.83 1dm3 s ALA 45 Cb -0.11 -3.21 1.13 0.00 0.00 0.00 0.00 23.12 20.94 1dm3 s ALA 45 CO 0.01 0.09 1.98 0.00 0.00 0.00 0.00 175.76 177.83 1dm3 h ALA 46 N 3.09 2.16 0.00 0.00 0.00 -1.94 -0.23 119.26 122.34 1dm3 h ALA 46 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1dm3 h ALA 46 Cb 1.20 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1dm3 h ALA 46 CO 0.65 -0.31 -0.03 0.78 0.00 0.00 0.00 179.25 180.34 1dm3 h GLY 47 N 0.30 0.00 0.79 0.00 0.00 -1.92 -1.94 103.07 100.29 1dm3 h GLY 47 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1dm3 h GLY 47 CO -0.07 0.00 -0.16 1.18 0.00 0.00 0.00 176.54 177.50 1dm3 n GLU 48 N -3.50 0.67 -2.57 4.80 1.02 -0.10 -4.83 120.64 116.13 1dm3 n GLU 48 Ca -0.02 -0.28 -0.42 0.00 -0.02 0.00 0.00 57.16 56.41 1dm3 n GLU 48 Cb 0.14 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.04 1dm3 n GLU 48 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1dm3 s VAL 49 N -2.52 4.49 -0.18 2.62 1.01 -0.73 -4.63 120.40 120.47 1dm3 s VAL 49 Ca 0.27 1.79 -0.23 0.00 0.00 0.00 0.00 61.98 63.81 1dm3 s VAL 49 Cb 0.20 -4.15 -0.22 0.00 0.00 0.00 0.00 36.38 32.21 1dm3 s VAL 49 CO 0.50 0.03 0.40 0.78 0.00 0.00 0.00 175.10 176.81 1dm3 h ASN 50 N 7.18 0.05 -5.04 3.32 -0.26 -1.66 -3.43 115.58 115.74 1dm3 h ASN 50 Ca -0.35 -0.68 -0.12 0.00 -0.56 0.00 0.00 56.30 54.59 1dm3 h ASN 50 Cb 1.17 -0.01 -0.18 0.00 -1.06 0.00 0.00 38.32 38.23 1dm3 h ASN 50 CO 0.85 1.38 -0.43 -0.70 -1.06 0.00 0.00 177.43 177.47 1dm3 s GLU 51 N -2.34 0.62 -0.12 0.81 2.12 -1.20 -1.72 118.70 116.86 1dm3 s GLU 51 Ca -0.25 -0.55 0.03 0.00 0.36 0.00 0.00 54.97 54.56 1dm3 s GLU 51 Cb 0.03 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.68 1dm3 s GLU 51 CO 0.64 -0.17 -0.23 0.08 -0.54 0.00 0.00 175.26 175.04 1dm3 s VAL 52 N -2.14 2.05 -0.23 3.70 1.01 -0.46 -1.71 120.40 122.62 1dm3 s VAL 52 Ca -0.08 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1dm3 s VAL 52 Cb -0.03 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.59 1dm3 s VAL 52 CO -0.02 0.55 -0.12 -0.63 0.00 0.00 0.00 175.10 174.89 1dm3 s ILE 53 N 0.59 2.48 -0.10 2.22 1.01 -0.37 -1.70 121.20 125.33 1dm3 s ILE 53 Ca -0.13 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.43 1dm3 s ILE 53 Cb -0.17 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.11 1dm3 s ILE 53 CO 0.03 0.28 -0.08 -0.76 0.00 0.00 0.00 174.94 174.41 1dm3 s LEU 54 N 1.28 1.28 0.05 2.97 1.43 0.25 -2.43 118.68 123.50 1dm3 s LEU 54 Ca 0.00 -0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 52.51 1dm3 s LEU 54 Cb -0.16 -0.81 -0.06 0.00 0.03 0.00 0.00 46.19 45.20 1dm3 s LEU 54 CO -0.07 -0.08 1.29 -0.83 0.23 0.00 0.00 176.35 176.88 1dm3 s GLY 55 N 1.42 2.15 -0.28 -3.19 0.00 -0.12 -2.39 107.32 104.92 1dm3 s GLY 55 Ca -0.01 0.90 -0.11 0.00 0.00 0.00 0.00 44.72 45.50 1dm3 s GLY 55 CO -0.05 2.23 0.63 1.62 0.00 0.00 0.00 173.10 177.53 1dm3 s GLN 56 N 1.47 0.57 -0.08 2.90 0.74 -0.96 0.94 119.66 125.23 1dm3 s GLN 56 Ca 0.61 1.36 0.14 0.00 0.05 0.00 0.00 55.36 57.52 1dm3 s GLN 56 Cb -0.31 0.67 -0.23 0.00 1.10 0.00 0.00 33.01 34.24 1dm3 s GLN 56 CO 0.28 -0.20 0.50 0.28 -0.55 0.00 0.00 175.29 175.61 1dm3 n VAL 57 N 5.22 1.54 -3.37 1.34 0.31 -1.26 -4.56 118.33 117.55 1dm3 n VAL 57 Ca -0.13 -0.81 -0.26 0.00 -0.01 0.00 0.00 64.34 63.12 1dm3 n VAL 57 Cb 0.51 -0.87 -0.08 0.00 -0.91 0.00 0.00 33.84 32.49 1dm3 n VAL 57 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1dm3 n LEU 58 N -2.96 3.23 -0.99 7.52 4.77 -1.26 -4.90 117.00 122.42 1dm3 n LEU 58 Ca -0.21 -5.34 0.05 0.00 -0.03 0.00 0.00 56.01 50.49 1dm3 n LEU 58 Cb 1.08 -0.46 0.20 0.00 -2.33 0.00 0.00 43.42 41.91 1dm3 n LEU 58 CO 0.44 2.07 0.63 -0.81 -1.33 0.00 0.00 177.39 178.40 1dm3 n PRO 59 N 0.89 2.49 -1.69 3.23 -0.04 -1.26 -4.76 135.00 133.85 1dm3 n PRO 59 Ca 0.29 -1.60 -0.45 0.00 -0.04 0.00 0.00 63.50 61.70 1dm3 n PRO 59 Cb 0.43 -1.58 -0.03 0.00 -0.04 0.00 0.00 33.50 32.27 1dm3 n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dm3 n ALA 60 N 0.55 1.69 -0.76 0.55 0.00 -1.26 -2.14 120.51 119.15 1dm3 n ALA 60 Ca 0.15 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1dm3 n ALA 60 Cb 0.54 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1dm3 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dm3 n GLY 61 N 3.05 1.41 0.22 0.00 0.00 -1.26 -4.51 105.19 104.09 1dm3 n GLY 61 Ca 0.14 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.31 1dm3 n GLY 61 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1dm3 n GLU 62 N -2.00 1.12 0.00 1.61 2.13 -0.91 -5.03 120.64 117.57 1dm3 n GLU 62 Ca 0.00 -0.44 0.00 0.00 0.66 0.00 0.00 57.16 57.38 1dm3 n GLU 62 Cb 0.00 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.22 1dm3 n GLU 62 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1dm3 n GLY 63 N 1.17 -2.29 3.71 8.31 0.00 -1.26 -4.80 105.19 110.03 1dm3 n GLY 63 Ca 0.19 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 1dm3 n GLY 63 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dm3 n GLN 64 N -0.10 2.72 -1.42 1.61 6.02 -1.26 -4.36 117.38 120.60 1dm3 n GLN 64 Ca 0.00 0.98 -0.07 0.00 -0.01 0.00 0.00 57.00 57.91 1dm3 n GLN 64 Cb 0.00 -2.83 0.01 0.00 1.02 0.00 0.00 30.24 28.44 1dm3 n GLN 64 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1dm3 n ASN 65 N 4.09 -1.08 -0.43 1.08 5.15 -1.26 -4.58 115.26 118.22 1dm3 n ASN 65 Ca 0.16 -0.02 0.37 0.00 -0.60 0.00 0.00 54.58 54.49 1dm3 n ASN 65 Cb 0.34 -0.30 0.68 0.00 -0.53 0.00 0.00 39.78 39.97 1dm3 n ASN 65 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1dm3 h PRO 66 N 0.56 0.10 -0.08 1.20 0.11 -1.87 0.12 132.00 132.13 1dm3 h PRO 66 Ca -0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1dm3 h PRO 66 Cb 0.26 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 1dm3 h PRO 66 CO 0.04 0.07 0.05 0.00 -0.21 0.00 0.00 178.00 177.95 1dm3 h ALA 67 N 1.44 0.10 -0.63 -0.75 0.00 -1.86 0.24 119.26 117.80 1dm3 h ALA 67 Ca 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.63 1dm3 h ALA 67 Cb 2.49 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 20.22 1dm3 h ALA 67 CO -0.20 -0.40 0.40 -0.09 0.00 0.00 0.00 179.25 178.96 1dm3 h ARG 68 N 0.11 0.84 -0.39 0.00 9.65 -1.04 -0.83 114.38 122.72 1dm3 h ARG 68 Ca 0.03 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 1dm3 h ARG 68 Cb -0.01 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.37 1dm3 h ARG 68 CO -0.01 0.57 0.12 1.96 2.80 0.00 0.00 179.97 185.41 1dm3 h GLN 69 N 0.86 0.61 -0.26 0.20 4.20 -0.82 -1.76 115.11 118.13 1dm3 h GLN 69 Ca 0.23 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.82 1dm3 h GLN 69 Cb -0.07 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1dm3 h GLN 69 CO -0.05 0.62 0.15 0.00 -0.67 0.00 0.00 178.83 178.88 1dm3 h ALA 70 N 0.96 0.32 -0.27 3.87 0.00 0.01 -0.41 119.26 123.75 1dm3 h ALA 70 Ca 0.12 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1dm3 h ALA 70 Cb 0.27 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1dm3 h ALA 70 CO -0.00 -0.24 0.10 0.00 0.00 0.00 0.00 179.25 179.11 1dm3 h ALA 71 N 1.12 0.31 -0.38 0.00 0.00 -1.08 -1.91 119.26 117.33 1dm3 h ALA 71 Ca 0.10 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1dm3 h ALA 71 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1dm3 h ALA 71 CO -0.05 -0.30 0.08 0.52 0.00 0.00 0.00 179.25 179.50 1dm3 h MET 72 N 0.23 0.61 -0.77 0.00 2.86 -1.05 -0.86 114.93 115.95 1dm3 h MET 72 Ca 0.12 -0.15 0.10 0.00 -2.06 0.00 0.00 59.70 57.71 1dm3 h MET 72 Cb 0.07 -0.08 -0.08 0.00 0.06 0.00 0.00 31.60 31.58 1dm3 h MET 72 CO -0.11 0.65 0.40 -0.22 1.06 0.00 0.00 176.91 178.69 1dm3 h LYS 73 N 0.46 0.64 0.00 1.72 3.64 -1.00 0.94 116.57 122.97 1dm3 h LYS 73 Ca 0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1dm3 h LYS 73 Cb 0.32 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1dm3 h LYS 73 CO 0.00 0.43 0.00 0.00 -2.27 0.00 0.00 179.45 177.61 1dm3 n ALA 74 N -2.40 1.91 0.00 5.00 0.00 -0.72 -4.89 120.51 119.40 1dm3 n ALA 74 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1dm3 n ALA 74 Cb 0.30 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1dm3 n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dm3 n GLY 75 N 0.44 0.71 3.70 0.00 0.00 0.32 -4.80 105.19 105.57 1dm3 n GLY 75 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1dm3 n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dm3 s VAL 76 N -2.00 3.44 0.85 1.61 1.01 -0.37 -4.53 120.40 120.42 1dm3 s VAL 76 Ca 0.00 0.92 -0.13 0.00 0.00 0.00 0.00 61.98 62.77 1dm3 s VAL 76 Cb 0.00 -3.59 0.08 0.00 0.00 0.00 0.00 36.38 32.87 1dm3 s VAL 76 CO 0.00 0.02 0.97 -0.81 0.00 0.00 0.00 175.10 175.28 1dm3 n PRO 77 N 5.00 -0.06 0.29 2.72 -0.04 -1.26 -4.23 135.00 137.42 1dm3 n PRO 77 Ca 0.13 0.05 0.18 0.00 -0.04 0.00 0.00 63.50 63.82 1dm3 n PRO 77 Cb 0.43 -2.25 0.86 0.00 -0.04 0.00 0.00 33.50 32.50 1dm3 n PRO 77 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1dm3 h GLN 78 N -1.22 0.00 0.00 0.54 3.07 -1.97 -1.20 115.11 114.33 1dm3 h GLN 78 Ca -0.45 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.27 1dm3 h GLN 78 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.85 1dm3 h GLN 78 CO 0.42 0.04 -0.09 0.93 0.09 0.00 0.00 178.83 180.22 1dm3 h GLU 79 N 0.00 0.00 -7.71 0.06 3.07 -1.98 -3.44 114.58 104.58 1dm3 h GLU 79 Ca -0.00 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.42 1dm3 h GLU 79 Cb 0.31 0.00 0.17 0.00 -0.84 0.00 0.00 28.75 28.39 1dm3 h GLU 79 CO 0.00 0.09 0.35 0.00 -1.40 0.00 0.00 179.01 178.05 1dm3 s ALA 80 N -3.69 1.83 0.21 3.43 0.00 -0.45 -5.09 121.76 117.99 1dm3 s ALA 80 Ca 0.01 -1.13 0.07 0.00 0.00 0.00 0.00 51.96 50.91 1dm3 s ALA 80 Cb 0.10 -2.81 -0.05 0.00 0.00 0.00 0.00 23.12 20.36 1dm3 s ALA 80 CO 0.58 -2.72 -0.13 0.95 0.00 0.00 0.00 175.76 174.43 1dm3 s THR 81 N -3.66 1.70 -0.04 0.00 -4.23 -0.70 -5.02 115.64 103.69 1dm3 s THR 81 Ca 0.73 -2.20 -0.20 0.00 -1.18 0.00 0.00 61.69 58.84 1dm3 s THR 81 Cb -0.05 -2.08 0.04 0.00 1.34 0.00 0.00 72.50 71.75 1dm3 s THR 81 CO 0.54 -0.57 0.44 0.00 -0.54 0.00 0.00 174.62 174.48 1dm3 s ALA 82 N -2.99 -1.12 0.14 3.99 0.00 -1.26 -1.36 121.76 119.16 1dm3 s ALA 82 Ca 0.23 0.71 -0.20 0.00 0.00 0.00 0.00 51.96 52.71 1dm3 s ALA 82 Cb -0.00 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.16 1dm3 s ALA 82 CO 0.07 -0.29 0.50 1.67 0.00 0.00 0.00 175.76 177.71 1dm3 s TRP 83 N -1.16 -0.37 0.20 0.00 1.48 -0.69 -4.60 118.94 113.80 1dm3 s TRP 83 Ca -0.12 0.11 0.08 0.00 -1.06 0.00 0.00 56.10 55.11 1dm3 s TRP 83 Cb -0.03 0.41 -0.04 0.00 -1.16 0.00 0.00 33.47 32.65 1dm3 s TRP 83 CO 0.06 -0.78 0.02 0.20 -4.06 0.00 0.00 176.95 172.39 1dm3 s GLY 84 N -2.78 1.69 0.01 3.67 0.00 -1.26 -0.59 107.32 108.06 1dm3 s GLY 84 Ca 0.02 -1.42 -0.12 0.00 0.00 0.00 0.00 44.72 43.20 1dm3 s GLY 84 CO -0.12 -1.45 0.25 -3.16 0.00 0.00 0.00 173.10 168.62 1dm3 s MET 85 N -3.17 0.65 -0.23 2.90 0.23 -1.01 -4.91 119.30 113.78 1dm3 s MET 85 Ca 0.29 -0.35 -0.02 0.00 -1.03 0.00 0.00 55.69 54.58 1dm3 s MET 85 Cb -0.09 0.28 0.07 0.00 -1.53 0.00 0.00 34.83 33.57 1dm3 s MET 85 CO 0.20 -0.18 0.04 1.21 -2.03 0.00 0.00 175.02 174.25 1dm3 s ASN 86 N -1.57 3.31 -0.35 -1.18 3.84 -1.26 -2.27 114.94 115.46 1dm3 s ASN 86 Ca -0.11 -1.06 0.08 0.00 0.21 0.00 0.00 52.86 51.97 1dm3 s ASN 86 Cb -0.04 -0.73 0.45 0.00 -0.55 0.00 0.00 41.25 40.37 1dm3 s ASN 86 CO 0.01 -0.32 1.14 1.67 -2.79 0.00 0.00 177.10 176.81 1dm3 n GLN 87 N 4.96 3.26 0.00 0.43 7.27 -1.26 -5.01 117.38 127.02 1dm3 n GLN 87 Ca -0.08 -4.21 0.00 0.00 0.07 0.00 0.00 57.00 52.78 1dm3 n GLN 87 Cb 0.45 -2.16 0.00 0.00 2.41 0.00 0.00 30.24 30.95 1dm3 n GLN 87 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1dm3 n LEU 88 N -0.57 0.00 0.00 1.69 4.77 -1.26 -2.96 117.00 118.67 1dm3 n LEU 88 Ca 0.37 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1dm3 n LEU 88 Cb 0.82 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 1dm3 n LEU 88 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1dm3 n GLY 90 N 0.00 0.00 0.28 -0.72 0.00 -1.26 -4.57 105.19 98.92 1dm3 n GLY 90 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1dm3 n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1dm3 h SER 91 N 0.00 -0.77 -0.95 1.61 0.02 -1.79 0.21 113.55 111.88 1dm3 h SER 91 Ca 0.00 0.13 0.16 0.00 -0.84 0.00 0.00 61.79 61.24 1dm3 h SER 91 Cb 0.00 0.35 -0.10 0.00 0.14 0.00 0.00 62.40 62.80 1dm3 h SER 91 CO 0.00 -0.28 0.56 1.23 -1.14 0.00 0.00 176.83 177.20 1dm3 h GLY 92 N -0.27 1.63 0.90 -3.77 0.00 -1.36 -1.08 103.07 99.12 1dm3 h GLY 92 Ca 0.12 -0.34 -0.28 0.00 0.00 0.00 0.00 47.33 46.83 1dm3 h GLY 92 CO -0.35 -0.01 -1.28 -2.00 0.00 0.00 0.00 176.54 172.90 1dm3 h LEU 93 N 0.77 0.61 -1.71 3.11 5.85 -1.54 -3.19 115.31 119.20 1dm3 h LEU 93 Ca 0.53 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1dm3 h LEU 93 Cb 0.73 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1dm3 h LEU 93 CO -0.35 1.60 0.20 -0.09 -0.34 0.00 0.00 178.44 179.46 1dm3 h ARG 94 N -0.11 0.38 -0.52 1.25 9.65 -0.14 -2.12 114.38 122.77 1dm3 h ARG 94 Ca -0.24 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 58.67 1dm3 h ARG 94 Cb 1.92 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 30.36 1dm3 h ARG 94 CO 0.19 0.25 0.25 0.00 2.80 0.00 0.00 179.97 183.46 1dm3 h ALA 95 N 1.82 0.66 -0.48 2.80 0.00 -1.34 0.16 119.26 122.88 1dm3 h ALA 95 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1dm3 h ALA 95 Cb -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1dm3 h ALA 95 CO -0.02 -0.11 0.25 0.28 0.00 0.00 0.00 179.25 179.65 1dm3 h VAL 96 N 0.48 1.18 0.11 0.00 2.07 -1.54 0.61 116.25 119.17 1dm3 h VAL 96 Ca 0.23 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1dm3 h VAL 96 Cb 0.17 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1dm3 h VAL 96 CO -0.18 0.19 -0.05 0.00 0.02 0.00 0.00 177.57 177.55 1dm3 h ALA 97 N 1.09 -0.15 -0.84 1.67 0.00 -1.17 -1.04 119.26 118.83 1dm3 h ALA 97 Ca 0.17 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.20 1dm3 h ALA 97 Cb 0.08 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.82 1dm3 h ALA 97 CO -0.02 -0.56 0.39 -0.07 0.00 0.00 0.00 179.25 178.98 1dm3 h LEU 98 N -0.18 0.41 -0.38 0.00 3.38 -0.84 -0.49 115.31 117.20 1dm3 h LEU 98 Ca -0.02 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1dm3 h LEU 98 Cb 0.14 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1dm3 h LEU 98 CO 0.02 0.12 0.11 1.23 0.09 0.00 0.00 178.44 180.02 1dm3 h GLY 99 N 0.51 0.64 0.57 0.83 0.00 -0.30 -2.18 103.07 103.16 1dm3 h GLY 99 Ca 0.48 -0.39 0.06 0.00 0.00 0.00 0.00 47.33 47.48 1dm3 h GLY 99 CO -0.42 0.36 0.13 1.98 0.00 0.00 0.00 176.54 178.59 1dm3 h MET 100 N 0.47 0.28 -0.89 4.80 1.85 -0.65 -2.10 114.93 118.69 1dm3 h MET 100 Ca 0.12 -0.02 0.03 0.00 -0.61 0.00 0.00 59.70 59.22 1dm3 h MET 100 Cb 0.27 -0.06 -0.05 0.00 0.43 0.00 0.00 31.60 32.19 1dm3 h MET 100 CO -0.00 0.18 0.59 1.96 -0.40 0.00 0.00 176.91 179.24 1dm3 h GLN 101 N 0.28 1.11 -0.50 0.39 4.20 -0.77 0.85 115.11 120.66 1dm3 h GLN 101 Ca 0.20 -0.07 0.09 0.00 0.06 0.00 0.00 58.65 58.93 1dm3 h GLN 101 Cb 0.21 -0.25 -0.07 0.00 0.30 0.00 0.00 27.48 27.67 1dm3 h GLN 101 CO -0.22 0.73 0.09 1.96 -0.67 0.00 0.00 178.83 180.72 1dm3 h GLN 102 N 1.14 0.22 -0.27 1.46 1.08 -0.74 -0.90 115.11 117.08 1dm3 h GLN 102 Ca 0.35 -0.01 -0.16 0.00 -1.45 0.00 0.00 58.65 57.38 1dm3 h GLN 102 Cb -0.03 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 1dm3 h GLN 102 CO -0.10 0.14 -0.46 0.82 -0.95 0.00 0.00 178.83 178.29 1dm3 h ILE 103 N 0.22 1.29 -0.50 2.54 2.04 -1.25 -1.26 117.51 120.60 1dm3 h ILE 103 Ca 0.25 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 1dm3 h ILE 103 Cb 0.35 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1dm3 h ILE 103 CO -0.34 0.53 0.25 0.00 0.00 0.00 0.00 178.15 178.59 1dm3 h ALA 104 N 0.91 1.51 -0.30 1.87 0.00 -0.23 -0.99 119.26 122.02 1dm3 h ALA 104 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1dm3 h ALA 104 Cb 1.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1dm3 h ALA 104 CO 0.10 0.40 0.00 0.25 0.00 0.00 0.00 179.25 180.00 1dm3 n THR 105 N -4.39 0.39 -1.26 0.00 -2.24 -0.40 -4.92 114.28 101.45 1dm3 n THR 105 Ca 0.04 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 1dm3 n THR 105 Cb 0.11 0.41 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 1dm3 n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dm3 n GLY 106 N 1.19 1.07 0.08 3.38 0.00 -0.38 -4.90 105.19 105.64 1dm3 n GLY 106 Ca 0.16 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.71 1dm3 n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dm3 n ASP 107 N 0.45 0.69 -3.52 1.61 8.00 -0.50 -4.91 116.55 118.36 1dm3 n ASP 107 Ca -0.09 -0.48 -0.11 0.00 0.71 0.00 0.00 54.79 54.82 1dm3 n ASP 107 Cb 0.30 0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 1dm3 n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dm3 s ALA 108 N -2.85 -1.33 -0.13 2.24 0.00 -1.03 -4.98 121.76 113.68 1dm3 s ALA 108 Ca 0.15 0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.32 1dm3 s ALA 108 Cb 0.18 0.83 -0.07 0.00 0.00 0.00 0.00 23.12 24.06 1dm3 s ALA 108 CO 0.65 -0.74 -0.15 0.43 0.00 0.00 0.00 175.76 175.95 1dm3 n SER 109 N -0.33 1.90 -3.95 0.00 7.64 -1.26 -3.83 113.62 113.79 1dm3 n SER 109 Ca -0.16 0.06 -0.24 0.00 1.01 0.00 0.00 58.87 59.54 1dm3 n SER 109 Cb 0.64 -0.31 -0.17 0.00 -1.01 0.00 0.00 64.21 63.37 1dm3 n SER 109 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1dm3 s ILE 110 N -2.25 0.90 0.04 0.44 1.01 -1.26 -4.13 121.20 115.96 1dm3 s ILE 110 Ca -0.18 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.20 1dm3 s ILE 110 Cb 0.06 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.63 1dm3 s ILE 110 CO 0.26 0.32 -0.10 -0.63 0.00 0.00 0.00 174.94 174.79 1dm3 s ILE 111 N 1.05 0.76 -0.16 2.92 -1.09 -0.94 -1.74 121.20 121.99 1dm3 s ILE 111 Ca -0.08 -1.01 0.01 0.00 -2.23 0.00 0.00 60.65 57.34 1dm3 s ILE 111 Cb -0.14 -0.75 0.01 0.00 -1.58 0.00 0.00 42.46 39.99 1dm3 s ILE 111 CO -0.01 -0.21 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.63 1dm3 s VAL 112 N -1.10 2.38 0.02 2.92 1.01 -0.70 -0.56 120.40 124.39 1dm3 s VAL 112 Ca -0.05 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1dm3 s VAL 112 Cb -0.09 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1dm3 s VAL 112 CO 0.01 0.52 -0.01 0.00 0.00 0.00 0.00 175.10 175.62 1dm3 s ALA 113 N 1.00 0.14 0.00 5.51 0.00 -0.79 -1.23 121.76 126.39 1dm3 s ALA 113 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1dm3 s ALA 113 Cb -0.15 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1dm3 s ALA 113 CO -0.04 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1dm3 n GLY 114 N 1.30 -0.59 3.58 0.00 0.00 -1.02 -0.31 105.19 108.14 1dm3 n GLY 114 Ca -0.22 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 1dm3 n GLY 114 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dm3 s GLY 115 N 0.00 0.23 -0.01 -0.02 0.00 0.34 -0.94 107.32 106.91 1dm3 s GLY 115 Ca 0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 44.72 44.01 1dm3 s GLY 115 CO 0.00 -0.44 0.28 -3.16 0.00 0.00 0.00 173.10 169.78 1dm3 s MET 116 N -3.95 0.65 -0.23 2.90 0.23 0.27 -2.05 119.30 117.11 1dm3 s MET 116 Ca 0.16 -0.23 -0.26 0.00 -1.03 0.00 0.00 55.69 54.32 1dm3 s MET 116 Cb -0.01 0.28 0.08 0.00 -1.53 0.00 0.00 34.83 33.65 1dm3 s MET 116 CO 0.04 -0.18 0.78 -2.00 -2.03 0.00 0.00 175.02 171.64 1dm3 s GLU 117 N -1.38 0.81 -0.41 3.16 2.56 0.25 -4.14 118.70 119.54 1dm3 s GLU 117 Ca -0.14 0.77 0.02 0.00 0.00 0.00 0.00 54.97 55.62 1dm3 s GLU 117 Cb -0.05 0.39 0.12 0.00 2.00 0.00 0.00 34.13 36.59 1dm3 s GLU 117 CO 0.04 -0.14 0.19 0.45 -0.56 0.00 0.00 175.26 175.24 1dm3 s SER 118 N 0.02 4.01 0.20 -1.70 0.15 -1.26 -0.39 113.70 114.73 1dm3 s SER 118 Ca -0.01 -2.42 -0.01 0.00 0.70 0.00 0.00 55.95 54.20 1dm3 s SER 118 Cb -0.04 -1.19 0.15 0.00 -1.71 0.00 0.00 66.02 63.23 1dm3 s SER 118 CO 0.01 -0.31 1.52 0.24 1.20 0.00 0.00 173.24 175.91 1dm3 h MET 119 N 7.10 0.48 -0.60 5.44 0.00 -1.93 -3.06 114.93 122.36 1dm3 h MET 119 Ca -0.05 -0.31 0.08 0.00 0.00 0.00 0.00 59.70 59.42 1dm3 h MET 119 Cb 0.95 0.04 -0.06 0.00 0.00 0.00 0.00 31.60 32.53 1dm3 h MET 119 CO 0.52 0.91 0.26 0.77 0.00 0.00 0.00 176.91 179.37 1dm3 h SER 120 N 0.37 0.31 0.14 1.22 0.02 -1.88 -2.20 113.55 111.53 1dm3 h SER 120 Ca 0.01 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1dm3 h SER 120 Cb 1.09 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1dm3 h SER 120 CO 0.10 0.20 -0.00 0.23 -1.14 0.00 0.00 176.83 176.22 1dm3 n MET 121 N -4.94 0.87 -1.98 3.45 2.81 -1.19 -4.84 117.12 111.30 1dm3 n MET 121 Ca 0.08 -0.01 -0.42 0.00 -1.81 0.00 0.00 57.70 55.53 1dm3 n MET 121 Cb 0.23 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 1dm3 n MET 121 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1dm3 s ALA 122 N -2.14 3.73 0.86 3.04 0.00 -0.83 -4.98 121.76 121.43 1dm3 s ALA 122 Ca 0.43 1.29 -0.13 0.00 0.00 0.00 0.00 51.96 53.55 1dm3 s ALA 122 Cb 0.22 -3.62 0.13 0.00 0.00 0.00 0.00 23.12 19.84 1dm3 s ALA 122 CO 0.39 -0.81 1.22 -1.25 0.00 0.00 0.00 175.76 175.32 1dm3 s PRO 123 N 1.41 1.45 -0.07 0.00 0.04 -1.26 -4.77 135.00 131.79 1dm3 s PRO 123 Ca 0.70 -0.15 -0.07 0.00 0.04 0.00 0.00 61.00 61.52 1dm3 s PRO 123 Cb -0.42 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1dm3 s PRO 123 CO 0.31 -1.89 0.19 -1.01 0.04 0.00 0.00 177.00 174.64 1dm3 s HIS 124 N -3.67 3.60 0.05 0.56 3.76 -1.26 -2.29 115.29 116.05 1dm3 s HIS 124 Ca 0.67 0.55 -0.01 0.00 -0.15 0.00 0.00 55.06 56.11 1dm3 s HIS 124 Cb -0.08 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.61 1dm3 s HIS 124 CO 0.50 0.70 -0.02 0.00 -0.85 0.00 0.00 174.74 175.07 1dm3 s ALA 126 N -3.78 -0.66 -0.37 0.00 0.00 -1.26 0.11 121.76 115.80 1dm3 s ALA 126 Ca 0.06 0.86 -0.28 0.00 0.00 0.00 0.00 51.96 52.60 1dm3 s ALA 126 Cb 0.07 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.69 1dm3 s ALA 126 CO -0.10 -0.15 1.04 -1.58 0.00 0.00 0.00 175.76 174.97 1dm3 s HIS 127 N 0.49 3.06 -0.05 0.00 2.46 -1.26 -4.87 115.29 115.11 1dm3 s HIS 127 Ca -0.03 0.95 0.08 0.00 0.47 0.00 0.00 55.06 56.53 1dm3 s HIS 127 Cb -0.04 -3.83 0.12 0.00 -0.13 0.00 0.00 32.58 28.70 1dm3 s HIS 127 CO -0.03 -0.89 1.01 1.28 -2.47 0.00 0.00 174.74 173.64 1dm3 n LEU 128 N 7.03 1.17 0.00 8.88 4.77 -1.26 -4.81 117.00 132.79 1dm3 n LEU 128 Ca 0.10 -1.85 -0.03 0.00 -0.03 0.00 0.00 56.01 54.21 1dm3 n LEU 128 Cb 0.48 -0.17 0.22 0.00 -2.33 0.00 0.00 43.42 41.62 1dm3 n LEU 128 CO 0.61 0.44 0.80 0.03 -1.33 0.00 0.00 177.39 177.94 1dm3 h ARG 129 N 0.00 0.52 -0.46 3.23 3.08 -2.07 -2.92 114.38 115.76 1dm3 h ARG 129 Ca 0.00 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 59.75 1dm3 h ARG 129 Cb 1.10 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1dm3 h ARG 129 CO 0.00 0.67 -0.23 0.78 -1.07 0.00 0.00 179.97 180.12 1dm3 h GLY 130 N 0.96 1.02 0.00 0.04 0.00 -2.02 -3.49 103.07 99.58 1dm3 h GLY 130 Ca 0.08 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.51 1dm3 h GLY 130 CO 0.04 0.82 0.00 0.61 0.00 0.00 0.00 176.54 178.01 1dm3 n GLY 131 N -0.13 2.53 3.25 4.60 0.00 -1.11 -4.95 105.19 109.39 1dm3 n GLY 131 Ca 0.00 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 1dm3 n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dm3 s VAL 132 N -2.64 3.74 0.12 1.61 1.01 -1.26 -4.98 120.40 118.00 1dm3 s VAL 132 Ca 0.00 -1.26 -0.19 0.00 0.00 0.00 0.00 61.98 60.53 1dm3 s VAL 132 Cb 0.00 -3.18 -0.06 0.00 0.00 0.00 0.00 36.38 33.14 1dm3 s VAL 132 CO 0.00 -0.26 1.76 0.11 0.00 0.00 0.00 175.10 176.71 1dm3 h LYS 133 N 8.21 0.29 -2.71 2.72 1.79 -2.03 -3.45 116.57 121.39 1dm3 h LYS 133 Ca -0.22 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.14 1dm3 h LYS 133 Cb 1.08 -0.06 -0.19 0.00 -1.58 0.00 0.00 32.23 31.47 1dm3 h LYS 133 CO 0.62 0.22 -0.09 1.41 -1.08 0.00 0.00 179.45 180.53 1dm3 s MET 134 N -6.08 0.85 0.00 3.15 -2.45 -1.26 -5.16 119.30 108.34 1dm3 s MET 134 Ca -0.13 -0.09 0.00 0.00 -1.25 0.00 0.00 55.69 54.22 1dm3 s MET 134 Cb 0.08 0.39 0.00 0.00 1.25 0.00 0.00 34.83 36.55 1dm3 s MET 134 CO 0.70 -0.26 0.00 0.41 1.05 0.00 0.00 175.02 176.92 1dm3 n GLY 135 N 0.99 2.56 3.77 2.11 0.00 -1.26 -5.03 105.19 108.34 1dm3 n GLY 135 Ca -0.20 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 1dm3 n GLY 135 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dm3 s ASP 136 N 0.00 4.98 0.10 1.61 1.01 -1.26 -5.04 116.67 118.07 1dm3 s ASP 136 Ca 0.00 1.93 0.01 0.00 0.71 0.00 0.00 52.55 55.20 1dm3 s ASP 136 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1dm3 s ASP 136 CO 0.00 -1.71 -0.04 0.72 0.21 0.00 0.00 175.17 174.35 1dm3 s PHE 137 N -2.53 0.83 -0.02 4.23 -0.71 -1.26 -5.15 117.98 113.37 1dm3 s PHE 137 Ca 0.65 -1.00 -0.14 0.00 -1.04 0.00 0.00 56.93 55.40 1dm3 s PHE 137 Cb -0.19 -0.50 -0.05 0.00 -1.21 0.00 0.00 43.02 41.06 1dm3 s PHE 137 CO 0.46 -0.25 0.38 0.15 -1.34 0.00 0.00 175.22 174.62 1dm3 s LYS 138 N -3.89 3.91 -0.38 1.99 1.02 -1.26 -5.05 119.74 116.07 1dm3 s LYS 138 Ca 0.13 0.35 -0.11 0.00 0.02 0.00 0.00 55.97 56.37 1dm3 s LYS 138 Cb 0.06 -3.23 0.03 0.00 -0.52 0.00 0.00 37.83 34.17 1dm3 s LYS 138 CO -0.04 0.66 0.21 -1.64 -0.92 0.00 0.00 175.35 173.62 1dm3 s MET 139 N -0.94 2.80 -0.03 1.68 -1.94 -1.26 -4.58 119.30 115.03 1dm3 s MET 139 Ca 0.23 -1.12 -0.20 0.00 -1.71 0.00 0.00 55.69 52.88 1dm3 s MET 139 Cb -0.16 -3.74 -0.05 0.00 2.01 0.00 0.00 34.83 32.88 1dm3 s MET 139 CO 0.12 -0.73 0.58 0.42 -0.01 0.00 0.00 175.02 175.40 1dm3 s ILE 140 N 1.54 4.97 -0.50 2.53 -1.09 0.30 -4.76 121.20 124.20 1dm3 s ILE 140 Ca 0.02 1.20 -0.28 0.00 -2.23 0.00 0.00 60.65 59.35 1dm3 s ILE 140 Cb -0.20 -3.91 0.02 0.00 -1.58 0.00 0.00 42.46 36.79 1dm3 s ILE 140 CO 0.06 0.40 1.35 -0.62 -1.23 0.00 0.00 174.94 174.90 1dm3 s ASP 141 N -0.05 6.32 0.55 3.58 -1.08 -1.26 -0.50 116.67 124.23 1dm3 s ASP 141 Ca 0.30 0.50 0.23 0.00 -0.52 0.00 0.00 52.55 53.06 1dm3 s ASP 141 Cb -0.18 -2.55 1.52 0.00 -1.46 0.00 0.00 42.92 40.26 1dm3 s ASP 141 CO 0.16 -1.51 2.18 0.71 0.52 0.00 0.00 175.17 177.22 1dm3 h THR 142 N 6.37 0.75 -0.52 1.71 1.35 -1.77 -0.69 112.91 120.12 1dm3 h THR 142 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1dm3 h THR 142 Cb 1.09 0.97 -0.03 0.00 -1.73 0.00 0.00 68.15 68.45 1dm3 h THR 142 CO 1.14 0.00 0.33 -0.03 -0.25 0.00 0.00 175.52 176.71 1dm3 h MET 143 N 0.00 0.69 0.01 4.72 -1.53 -1.86 0.27 114.93 117.23 1dm3 h MET 143 Ca 0.02 -0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.23 1dm3 h MET 143 Cb 0.11 -0.15 0.00 0.00 -0.55 0.00 0.00 31.60 31.01 1dm3 h MET 143 CO -0.00 0.47 -0.01 0.82 0.14 0.00 0.00 176.91 178.34 1dm3 h ILE 144 N 0.70 1.52 0.05 1.77 1.08 -1.74 -2.38 117.51 118.51 1dm3 h ILE 144 Ca 0.19 -1.93 -0.00 0.00 -0.39 0.00 0.00 64.86 62.72 1dm3 h ILE 144 Cb -0.05 2.77 0.00 0.00 -3.07 0.00 0.00 36.82 36.47 1dm3 h ILE 144 CO -0.04 0.48 -0.03 0.50 -0.69 0.00 0.00 178.15 178.37 1dm3 h LYS 145 N -0.89 -0.07 0.00 2.37 1.63 -1.20 -1.12 116.57 117.29 1dm3 h LYS 145 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1dm3 h LYS 145 Cb 0.80 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1dm3 h LYS 145 CO 0.00 0.16 -0.94 -0.25 -3.45 0.00 0.00 179.45 174.97 1dm3 n ASP 146 N -5.02 0.64 -0.03 4.20 8.00 0.94 -4.16 116.55 121.13 1dm3 n ASP 146 Ca -0.08 -0.05 -0.03 0.00 0.71 0.00 0.00 54.79 55.33 1dm3 n ASP 146 Cb 0.15 0.61 -0.05 0.00 -0.02 0.00 0.00 41.12 41.81 1dm3 n ASP 146 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dm3 n GLY 147 N 1.34 -0.30 0.00 0.44 0.00 -0.93 -4.88 105.19 100.86 1dm3 n GLY 147 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1dm3 n GLY 147 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dm3 n LEU 148 N -2.26 1.53 -4.47 0.99 4.77 -0.86 -5.00 117.00 111.69 1dm3 n LEU 148 Ca -0.11 -1.53 -0.33 0.00 -0.03 0.00 0.00 56.01 54.01 1dm3 n LEU 148 Cb 0.70 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.67 1dm3 n LEU 148 CO 0.13 0.38 -0.39 -0.89 -1.33 0.00 0.00 177.39 175.30 1dm3 s THR 149 N -0.66 3.60 -0.02 -5.08 2.01 -0.48 -1.61 115.64 113.41 1dm3 s THR 149 Ca 0.00 -0.47 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 1dm3 s THR 149 Cb 0.00 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 1dm3 s THR 149 CO 0.00 0.52 1.41 -0.62 -0.69 0.00 0.00 174.62 175.24 1dm3 s ASP 150 N 0.16 6.85 0.36 3.53 2.15 0.28 -4.88 116.67 125.12 1dm3 s ASP 150 Ca -0.03 2.09 0.27 0.00 0.43 0.00 0.00 52.55 55.31 1dm3 s ASP 150 Cb -0.14 -2.56 1.13 0.00 -0.30 0.00 0.00 42.92 41.05 1dm3 s ASP 150 CO 0.04 -0.73 1.81 0.00 -0.17 0.00 0.00 175.17 176.11 1dm3 h ALA 151 N 7.97 1.00 0.00 3.66 0.00 -1.92 0.20 119.26 130.17 1dm3 h ALA 151 Ca -0.37 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.18 1dm3 h ALA 151 Cb 1.17 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 1dm3 h ALA 151 CO 0.91 0.00 -2.33 1.19 0.00 0.00 0.00 179.25 179.02 1dm3 n PHE 152 N -2.53 0.00 0.65 0.00 3.72 -1.26 -4.55 117.46 113.49 1dm3 n PHE 152 Ca 0.02 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.49 1dm3 n PHE 152 Cb 0.25 -0.94 0.06 0.00 -0.94 0.00 0.00 39.48 37.92 1dm3 n PHE 152 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1dm3 n TYR 153 N -2.90 0.00 -0.57 1.38 4.02 -1.23 -4.99 117.16 112.86 1dm3 n TYR 153 Ca -0.36 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.53 1dm3 n TYR 153 Cb 1.06 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.38 1dm3 n TYR 153 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1dm3 n GLY 154 N 0.90 0.34 3.98 2.72 0.00 0.06 -4.97 105.19 108.22 1dm3 n GLY 154 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1dm3 n GLY 154 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dm3 s TYR 155 N -1.81 2.82 0.67 1.61 -0.85 -1.25 -4.69 117.35 113.86 1dm3 s TYR 155 Ca 0.00 -0.40 -0.11 0.00 -0.52 0.00 0.00 57.07 56.04 1dm3 s TYR 155 Cb 0.00 -2.31 -0.01 0.00 0.38 0.00 0.00 41.96 40.03 1dm3 s TYR 155 CO 0.00 -0.33 1.06 -1.58 -1.52 0.00 0.00 175.55 173.18 1dm3 s HIS 156 N -2.36 3.35 0.25 -3.49 5.65 -1.26 0.10 115.29 117.53 1dm3 s HIS 156 Ca 0.53 1.27 -0.03 0.00 0.25 0.00 0.00 55.06 57.08 1dm3 s HIS 156 Cb -0.09 -2.87 0.46 0.00 -1.18 0.00 0.00 32.58 28.90 1dm3 s HIS 156 CO 0.32 -1.04 1.77 0.52 -0.65 0.00 0.00 174.74 175.65 1dm3 h MET 157 N -0.57 0.59 -0.94 2.88 2.86 -1.67 -0.65 114.93 117.43 1dm3 h MET 157 Ca -0.44 -0.04 0.20 0.00 -2.06 0.00 0.00 59.70 57.36 1dm3 h MET 157 Cb 1.21 -0.13 -0.11 0.00 0.06 0.00 0.00 31.60 32.63 1dm3 h MET 157 CO 0.61 0.39 0.50 0.78 1.06 0.00 0.00 176.91 180.25 1dm3 h GLY 158 N 0.60 1.65 0.97 8.32 0.00 -1.93 0.16 103.07 112.85 1dm3 h GLY 158 Ca 0.42 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 1dm3 h GLY 158 CO -0.33 -0.17 0.20 -0.84 0.00 0.00 0.00 176.54 175.39 1dm3 h THR 159 N 0.58 1.21 -0.90 4.70 2.02 -1.48 0.08 112.91 119.12 1dm3 h THR 159 Ca 0.56 -0.65 0.10 0.00 0.77 0.00 0.00 66.41 67.19 1dm3 h THR 159 Cb 0.98 0.72 -0.08 0.00 -1.74 0.00 0.00 68.15 68.04 1dm3 h THR 159 CO -0.45 0.25 0.54 0.71 0.37 0.00 0.00 175.52 176.94 1dm3 h THR 160 N 0.65 0.93 -0.64 3.16 1.35 -0.63 0.21 112.91 117.95 1dm3 h THR 160 Ca 0.16 -0.31 -0.05 0.00 -0.55 0.00 0.00 66.41 65.67 1dm3 h THR 160 Cb 0.20 -0.04 -0.03 0.00 -1.73 0.00 0.00 68.15 66.55 1dm3 h THR 160 CO -0.01 0.16 0.22 0.00 -0.25 0.00 0.00 175.52 175.64 1dm3 h ALA 161 N 1.48 0.83 -0.94 6.62 0.00 -0.61 -1.63 119.26 125.00 1dm3 h ALA 161 Ca 0.43 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1dm3 h ALA 161 Cb 0.37 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1dm3 h ALA 161 CO -0.24 0.48 0.62 0.93 0.00 0.00 0.00 179.25 181.04 1dm3 h GLU 162 N 0.91 1.22 -0.70 0.00 4.39 0.13 0.14 114.58 120.66 1dm3 h GLU 162 Ca 0.21 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.86 1dm3 h GLU 162 Cb 0.27 -0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 1dm3 h GLU 162 CO -0.01 0.81 0.45 -0.91 -1.16 0.00 0.00 179.01 178.19 1dm3 h ASN 163 N 1.25 0.75 0.52 1.42 2.35 -0.29 -1.03 115.58 120.56 1dm3 h ASN 163 Ca 0.35 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.94 1dm3 h ASN 163 Cb -0.12 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 1dm3 h ASN 163 CO -0.08 0.53 -0.68 0.58 -1.65 0.00 0.00 177.43 176.12 1dm3 h VAL 164 N 0.89 1.44 0.17 2.81 2.07 -0.57 -0.55 116.25 122.52 1dm3 h VAL 164 Ca 0.27 -2.23 -0.01 0.00 0.82 0.00 0.00 66.70 65.56 1dm3 h VAL 164 Cb -0.03 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1dm3 h VAL 164 CO -0.09 0.65 -0.08 0.00 0.02 0.00 0.00 177.57 178.06 1dm3 h ALA 165 N 1.20 -0.23 -0.04 1.67 0.00 0.06 -1.34 119.26 120.58 1dm3 h ALA 165 Ca -0.01 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1dm3 h ALA 165 Cb 1.21 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1dm3 h ALA 165 CO 0.10 -0.45 -0.30 0.87 0.00 0.00 0.00 179.25 179.46 1dm3 h LYS 166 N -0.58 -0.41 -0.67 0.00 1.57 -1.18 0.54 116.57 115.84 1dm3 h LYS 166 Ca -0.02 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.91 1dm3 h LYS 166 Cb 0.44 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.75 1dm3 h LYS 166 CO 0.04 -0.27 0.21 0.37 -0.57 0.00 0.00 179.45 179.23 1dm3 h GLN 167 N -0.43 0.35 -0.01 3.15 4.15 -1.11 -1.12 115.11 120.09 1dm3 h GLN 167 Ca 0.07 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1dm3 h GLN 167 Cb 0.53 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1dm3 h GLN 167 CO -0.28 0.23 -0.05 0.91 -1.93 0.00 0.00 178.83 177.71 1dm3 n TRP 168 N -5.06 0.00 -3.67 3.99 7.02 -0.51 -4.96 117.44 114.25 1dm3 n TRP 168 Ca 0.11 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.36 1dm3 n TRP 168 Cb 0.35 -0.02 0.05 0.00 -2.42 0.00 0.00 31.31 29.28 1dm3 n TRP 168 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1dm3 n GLN 169 N 0.06 -6.16 -3.14 -0.99 6.02 0.17 -4.94 117.38 108.40 1dm3 n GLN 169 Ca 0.18 0.71 -0.43 0.00 -0.01 0.00 0.00 57.00 57.45 1dm3 n GLN 169 Cb 0.36 -5.57 -0.07 0.00 1.02 0.00 0.00 30.24 25.98 1dm3 n GLN 169 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1dm3 s LEU 170 N -6.90 4.53 0.84 1.08 1.43 -0.31 -5.01 118.68 114.34 1dm3 s LEU 170 Ca 0.30 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 1dm3 s LEU 170 Cb -0.14 -2.68 0.09 0.00 0.03 0.00 0.00 46.19 43.50 1dm3 s LEU 170 CO 0.78 -0.73 1.09 -0.94 0.23 0.00 0.00 176.35 176.78 1dm3 s SER 171 N 1.95 4.02 0.13 2.29 1.04 -1.26 -4.74 113.70 117.13 1dm3 s SER 171 Ca 0.21 1.53 -0.20 0.00 0.48 0.00 0.00 55.95 57.97 1dm3 s SER 171 Cb -0.15 -2.24 -0.03 0.00 0.10 0.00 0.00 66.02 63.71 1dm3 s SER 171 CO 0.18 -2.30 1.71 -0.09 0.98 0.00 0.00 173.24 173.72 1dm3 h ARG 172 N -1.31 0.03 -0.73 4.02 9.65 -1.96 -1.34 114.38 122.73 1dm3 h ARG 172 Ca -0.47 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.40 1dm3 h ARG 172 Cb 1.26 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.80 1dm3 h ARG 172 CO 0.55 0.02 0.44 -0.44 2.80 0.00 0.00 179.97 183.34 1dm3 h ASP 173 N 0.03 0.88 0.67 -3.80 3.32 -1.94 0.29 116.42 115.86 1dm3 h ASP 173 Ca 0.09 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 1dm3 h ASP 173 Cb 0.13 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1dm3 h ASP 173 CO -0.18 0.68 -0.74 -0.08 -1.72 0.00 0.00 179.24 177.20 1dm3 h GLU 174 N 1.01 0.05 0.13 3.56 4.81 -1.86 0.14 114.58 122.42 1dm3 h GLU 174 Ca 0.26 -0.05 -0.29 0.00 -0.13 0.00 0.00 59.36 59.15 1dm3 h GLU 174 Cb -0.04 0.01 0.03 0.00 0.63 0.00 0.00 28.75 29.38 1dm3 h GLU 174 CO -0.05 0.77 -1.25 1.96 -0.73 0.00 0.00 179.01 179.70 1dm3 h GLN 175 N 0.03 0.55 -0.55 1.92 4.20 -0.56 -3.09 115.11 117.61 1dm3 h GLN 175 Ca -0.01 -0.76 -0.09 0.00 0.06 0.00 0.00 58.65 57.85 1dm3 h GLN 175 Cb 1.30 0.26 -0.02 0.00 0.30 0.00 0.00 27.48 29.32 1dm3 h GLN 175 CO 0.10 1.34 -0.01 -0.44 -0.67 0.00 0.00 178.83 179.15 1dm3 h ASP 176 N 0.23 0.92 -0.54 1.46 3.32 -0.36 -1.77 116.42 119.67 1dm3 h ASP 176 Ca -0.18 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.59 1dm3 h ASP 176 Cb 1.93 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 41.21 1dm3 h ASP 176 CO 0.23 0.99 0.24 0.00 -1.72 0.00 0.00 179.24 178.98 1dm3 h ALA 177 N 1.11 0.70 -0.04 3.45 0.00 -0.80 -1.51 119.26 122.17 1dm3 h ALA 177 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1dm3 h ALA 177 Cb 0.53 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1dm3 h ALA 177 CO 0.03 0.29 0.02 0.35 0.00 0.00 0.00 179.25 179.93 1dm3 h PHE 178 N 0.73 0.07 -0.32 0.00 3.04 -1.42 -2.26 116.94 116.78 1dm3 h PHE 178 Ca 0.18 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.19 1dm3 h PHE 178 Cb 0.16 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.60 1dm3 h PHE 178 CO 0.00 0.22 -0.01 0.00 -2.02 0.00 0.00 178.31 176.50 1dm3 h ALA 179 N 0.84 0.28 -0.42 2.41 0.00 -1.04 0.39 119.26 121.72 1dm3 h ALA 179 Ca 0.01 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1dm3 h ALA 179 Cb 0.19 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1dm3 h ALA 179 CO -0.00 -0.42 0.27 0.28 0.00 0.00 0.00 179.25 179.38 1dm3 h VAL 180 N 0.08 1.09 -0.81 0.00 2.07 -1.27 -0.47 116.25 116.93 1dm3 h VAL 180 Ca 0.16 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1dm3 h VAL 180 Cb 0.22 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1dm3 h VAL 180 CO -0.28 0.10 0.40 0.00 0.02 0.00 0.00 177.57 177.82 1dm3 h ALA 181 N 1.16 1.19 -0.59 1.67 0.00 -0.84 0.28 119.26 122.13 1dm3 h ALA 181 Ca 0.16 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1dm3 h ALA 181 Cb -0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 1dm3 h ALA 181 CO -0.04 0.63 0.36 1.03 0.00 0.00 0.00 179.25 181.22 1dm3 h SER 182 N 1.14 0.59 -0.10 0.00 0.87 -0.02 0.33 113.55 116.36 1dm3 h SER 182 Ca 0.28 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1dm3 h SER 182 Cb 0.09 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1dm3 h SER 182 CO -0.04 0.41 0.05 1.56 -0.53 0.00 0.00 176.83 178.29 1dm3 h GLN 183 N 0.71 0.14 -0.57 2.24 1.08 -0.29 -0.72 115.11 117.70 1dm3 h GLN 183 Ca 0.24 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 1dm3 h GLN 183 Cb 0.01 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 1dm3 h GLN 183 CO -0.10 0.20 0.30 -0.91 -0.95 0.00 0.00 178.83 177.37 1dm3 h ASN 184 N 0.05 0.72 -0.21 1.46 -0.26 0.13 0.12 115.58 117.60 1dm3 h ASN 184 Ca 0.04 -0.11 -0.07 0.00 -0.56 0.00 0.00 56.30 55.60 1dm3 h ASN 184 Cb 0.10 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 1dm3 h ASN 184 CO -0.01 0.62 -0.07 0.11 -1.06 0.00 0.00 177.43 177.02 1dm3 h LYS 185 N 0.77 0.55 -0.19 0.81 1.57 -0.16 -0.50 116.57 119.42 1dm3 h LYS 185 Ca 0.20 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 1dm3 h LYS 185 Cb 0.07 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1dm3 h LYS 185 CO -0.03 0.63 -0.30 0.00 -0.57 0.00 0.00 179.45 179.19 1dm3 h ALA 186 N 1.41 0.30 -0.20 3.86 0.00 -0.54 -1.68 119.26 122.41 1dm3 h ALA 186 Ca 0.10 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1dm3 h ALA 186 Cb 0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1dm3 h ALA 186 CO 0.02 0.32 0.09 1.49 0.00 0.00 0.00 179.25 181.17 1dm3 h GLU 187 N 0.21 0.19 0.36 0.00 4.81 -0.60 0.06 114.58 119.61 1dm3 h GLU 187 Ca 0.02 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1dm3 h GLU 187 Cb 0.88 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1dm3 h GLU 187 CO 0.07 0.12 -0.38 0.00 -0.73 0.00 0.00 179.01 178.10 1dm3 h ALA 188 N 1.11 -0.80 -0.81 2.92 0.00 -1.02 -1.71 119.26 118.95 1dm3 h ALA 188 Ca 0.08 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1dm3 h ALA 188 Cb 0.03 0.55 -0.13 0.00 0.00 0.00 0.00 17.79 18.24 1dm3 h ALA 188 CO -0.06 -0.99 -0.46 0.00 0.00 0.00 0.00 179.25 177.73 1dm3 h ALA 189 N -0.33 -0.24 -0.24 0.00 0.00 -1.07 -0.57 119.26 116.81 1dm3 h ALA 189 Ca -0.02 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1dm3 h ALA 189 Cb 0.69 1.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 1dm3 h ALA 189 CO -0.07 -0.80 0.08 0.37 0.00 0.00 0.00 179.25 178.82 1dm3 h GLN 190 N -0.11 0.19 -0.98 0.00 4.15 -0.63 -0.99 115.11 116.73 1dm3 h GLN 190 Ca 0.22 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.67 1dm3 h GLN 190 Cb 0.54 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.13 1dm3 h GLN 190 CO -0.84 0.12 0.64 0.87 -1.93 0.00 0.00 178.83 177.70 1dm3 h LYS 191 N 0.19 1.21 -0.12 1.69 1.57 -0.74 -2.19 116.57 118.19 1dm3 h LYS 191 Ca 0.11 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1dm3 h LYS 191 Cb 0.08 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1dm3 h LYS 191 CO -0.11 0.80 0.00 -0.25 -0.57 0.00 0.00 179.45 179.32 1dm3 n ASP 192 N -4.46 0.12 -0.51 0.86 8.00 -0.27 -4.88 116.55 115.40 1dm3 n ASP 192 Ca 0.13 -1.93 -0.07 0.00 0.71 0.00 0.00 54.79 53.63 1dm3 n ASP 192 Cb 0.09 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 1dm3 n ASP 192 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dm3 n GLY 193 N 0.41 0.80 0.16 0.44 0.00 -0.82 -4.89 105.19 101.29 1dm3 n GLY 193 Ca 0.00 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.94 1dm3 n GLY 193 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1dm3 h ARG 194 N 0.18 0.00 -0.01 1.61 3.08 -1.41 -2.70 114.38 115.15 1dm3 h ARG 194 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1dm3 h ARG 194 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1dm3 h ARG 194 CO 0.20 0.00 -0.80 1.19 -1.07 0.00 0.00 179.97 179.49 1dm3 n PHE 195 N -2.38 0.00 0.09 3.04 3.72 -1.26 -4.64 117.46 116.03 1dm3 n PHE 195 Ca 0.02 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.30 1dm3 n PHE 195 Cb 0.23 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.71 1dm3 n PHE 195 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1dm3 h LYS 196 N 0.86 -0.36 -0.13 -1.08 3.64 -1.82 -2.13 116.57 115.55 1dm3 h LYS 196 Ca 0.00 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1dm3 h LYS 196 Cb 0.59 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.43 1dm3 h LYS 196 CO 0.00 -0.24 -0.23 -0.44 -2.27 0.00 0.00 179.45 176.28 1dm3 h ASP 197 N -0.37 -0.70 0.34 4.20 3.32 -1.82 -2.82 116.42 118.58 1dm3 h ASP 197 Ca 0.04 0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1dm3 h ASP 197 Cb 0.41 0.31 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1dm3 h ASP 197 CO -0.13 -0.28 -0.32 1.05 -1.72 0.00 0.00 179.24 177.84 1dm3 h GLU 198 N -0.29 0.00 -6.47 3.56 4.11 -1.85 -3.43 114.58 110.21 1dm3 h GLU 198 Ca 0.10 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 59.00 1dm3 h GLU 198 Cb 0.44 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1dm3 h GLU 198 CO -0.29 0.32 0.26 0.42 0.07 0.00 0.00 179.01 179.78 1dm3 s ILE 199 N -4.27 4.54 -0.28 -1.06 1.01 -0.81 -1.25 121.20 119.08 1dm3 s ILE 199 Ca -0.03 1.85 -0.06 0.00 0.00 0.00 0.00 60.65 62.41 1dm3 s ILE 199 Cb 0.15 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1dm3 s ILE 199 CO 0.71 0.37 0.05 0.54 0.00 0.00 0.00 174.94 176.61 1dm3 s VAL 200 N -0.25 3.82 0.36 2.92 0.11 -0.41 -4.90 120.40 122.05 1dm3 s VAL 200 Ca 0.42 -0.64 -0.28 0.00 -2.93 0.00 0.00 61.98 58.55 1dm3 s VAL 200 Cb -0.22 -2.92 -0.12 0.00 -1.53 0.00 0.00 36.38 31.59 1dm3 s VAL 200 CO 0.27 0.17 1.43 -2.65 -3.33 0.00 0.00 175.10 170.98 1dm3 n PRO 201 N 4.84 2.48 -4.54 1.54 -0.02 -1.26 -4.36 135.00 133.69 1dm3 n PRO 201 Ca -0.15 0.87 -0.33 0.00 -2.02 0.00 0.00 63.50 61.86 1dm3 n PRO 201 Cb 0.49 -2.55 -0.13 0.00 -0.02 0.00 0.00 33.50 31.29 1dm3 n PRO 201 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1dm3 s PHE 202 N -1.04 2.95 -0.45 6.00 5.36 -0.35 -4.92 117.98 125.53 1dm3 s PHE 202 Ca 0.55 -0.33 -0.21 0.00 -0.96 0.00 0.00 56.93 55.98 1dm3 s PHE 202 Cb -0.51 -1.88 0.03 0.00 -0.34 0.00 0.00 43.02 40.31 1dm3 s PHE 202 CO 0.62 -0.02 0.66 0.42 -1.46 0.00 0.00 175.22 175.44 1dm3 s ILE 203 N 0.15 4.81 -0.78 3.12 -1.09 -1.26 -0.75 121.20 125.40 1dm3 s ILE 203 Ca -0.03 0.07 -0.26 0.00 -2.23 0.00 0.00 60.65 58.20 1dm3 s ILE 203 Cb -0.14 -4.23 0.01 0.00 -1.58 0.00 0.00 42.46 36.52 1dm3 s ILE 203 CO 0.03 -0.64 1.58 -0.69 -1.23 0.00 0.00 174.94 173.99 1dm3 s VAL 204 N 2.85 3.61 -0.25 2.92 1.01 0.20 -4.90 120.40 125.84 1dm3 s VAL 204 Ca 0.22 0.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.91 1dm3 s VAL 204 Cb -0.14 -4.53 -0.08 0.00 0.00 0.00 0.00 36.38 31.63 1dm3 s VAL 204 CO 0.18 -1.47 2.19 0.29 0.00 0.00 0.00 175.10 176.29 1dm3 n LYS 205 N 9.16 1.69 -1.68 2.72 4.76 -1.26 -2.39 118.16 131.15 1dm3 n LYS 205 Ca 0.19 0.48 -0.05 0.00 -2.87 0.00 0.00 58.31 56.06 1dm3 n LYS 205 Cb 0.50 -2.93 0.01 0.00 -1.84 0.00 0.00 35.03 30.77 1dm3 n LYS 205 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dm3 n GLY 206 N 5.93 2.26 0.95 0.72 0.00 -1.21 -4.99 105.19 108.86 1dm3 n GLY 206 Ca 0.33 -2.17 -0.01 0.00 0.00 0.00 0.00 46.02 44.17 1dm3 n GLY 206 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1dm3 n ARG 207 N -1.17 0.03 -0.60 1.61 0.00 -1.26 -4.63 116.66 110.65 1dm3 n ARG 207 Ca 0.03 0.01 -0.02 0.00 -0.00 0.00 0.00 57.85 57.87 1dm3 n ARG 207 Cb 0.15 -0.55 0.20 0.00 -0.00 0.00 0.00 32.46 32.26 1dm3 n ARG 207 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1dm3 n LYS 208 N -3.06 2.82 0.00 2.89 5.02 -1.26 -4.91 118.16 119.66 1dm3 n LYS 208 Ca -0.03 -1.85 0.00 0.00 -2.02 0.00 0.00 58.31 54.42 1dm3 n LYS 208 Cb 0.52 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1dm3 n LYS 208 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dm3 n GLY 209 N 0.10 4.06 3.89 0.72 0.00 -1.26 -5.11 105.19 107.58 1dm3 n GLY 209 Ca 0.23 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 1dm3 n GLY 209 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dm3 s ASP 210 N 0.00 6.56 -0.09 1.61 1.01 -1.26 -3.28 116.67 121.21 1dm3 s ASP 210 Ca 0.00 0.78 0.00 0.00 0.71 0.00 0.00 52.55 54.05 1dm3 s ASP 210 Cb 0.00 -2.17 0.02 0.00 1.01 0.00 0.00 42.92 41.78 1dm3 s ASP 210 CO 0.00 -0.05 -0.08 -0.63 0.21 0.00 0.00 175.17 174.62 1dm3 s ILE 211 N -1.80 0.93 -0.22 0.77 1.01 -1.01 -4.93 121.20 115.95 1dm3 s ILE 211 Ca 0.45 -0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.65 1dm3 s ILE 211 Cb -0.11 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 1dm3 s ILE 211 CO 0.23 0.34 0.48 -0.89 0.00 0.00 0.00 174.94 175.11 1dm3 s THR 212 N 1.39 5.12 -0.23 2.92 2.01 -1.26 0.58 115.64 126.16 1dm3 s THR 212 Ca -0.02 0.86 -0.05 0.00 0.31 0.00 0.00 61.69 62.80 1dm3 s THR 212 Cb -0.13 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 1dm3 s THR 212 CO -0.04 0.17 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.36 1dm3 s VAL 213 N 1.77 3.63 -0.01 3.82 1.01 0.07 -4.93 120.40 125.76 1dm3 s VAL 213 Ca 0.22 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1dm3 s VAL 213 Cb -0.15 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.57 1dm3 s VAL 213 CO 0.09 0.38 0.78 -0.90 0.00 0.00 0.00 175.10 175.45 1dm3 n ASP 214 N 4.83 0.81 -4.02 3.32 5.68 -1.26 -1.21 116.55 124.70 1dm3 n ASP 214 Ca -0.17 -1.65 -0.20 0.00 -0.50 0.00 0.00 54.79 52.27 1dm3 n ASP 214 Cb 0.51 -0.07 -0.15 0.00 -1.14 0.00 0.00 41.12 40.26 1dm3 n ASP 214 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dm3 s ALA 215 N -0.57 0.83 -0.43 2.12 0.00 -1.26 -4.86 121.76 117.59 1dm3 s ALA 215 Ca 0.03 -0.37 -0.27 0.00 0.00 0.00 0.00 51.96 51.35 1dm3 s ALA 215 Cb 0.03 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 1dm3 s ALA 215 CO 0.00 0.17 2.24 -0.51 0.00 0.00 0.00 175.76 177.66 1dm3 s ASP 216 N -0.01 4.91 0.00 0.00 1.01 -1.26 -4.59 116.67 116.73 1dm3 s ASP 216 Ca 0.00 1.19 0.30 0.00 0.71 0.00 0.00 52.55 54.76 1dm3 s ASP 216 Cb -0.06 -2.51 1.50 0.00 1.01 0.00 0.00 42.92 42.86 1dm3 s ASP 216 CO 0.00 -2.50 2.04 -1.84 0.21 0.00 0.00 175.17 173.08 1dm3 n GLU 217 N 8.93 0.50 0.02 8.23 0.28 -1.11 -3.63 120.64 133.86 1dm3 n GLU 217 Ca 0.32 -0.03 0.12 0.00 -0.16 0.00 0.00 57.16 57.40 1dm3 n GLU 217 Cb 0.51 -1.50 0.17 0.00 1.43 0.00 0.00 31.44 32.06 1dm3 n GLU 217 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1dm3 n TYR 218 N -1.22 0.18 -1.93 -1.84 9.36 -1.26 -4.83 117.16 115.62 1dm3 n TYR 218 Ca 0.15 0.05 -0.41 0.00 3.32 0.00 0.00 57.90 61.01 1dm3 n TYR 218 Cb 0.24 -0.37 -0.02 0.00 -0.63 0.00 0.00 39.34 38.56 1dm3 n TYR 218 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1dm3 s ILE 219 N -3.07 2.44 -0.19 2.97 1.01 -1.01 -4.78 121.20 118.58 1dm3 s ILE 219 Ca 0.08 0.38 -0.08 0.00 0.00 0.00 0.00 60.65 61.04 1dm3 s ILE 219 Cb 0.16 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1dm3 s ILE 219 CO 0.73 0.07 0.07 0.00 0.00 0.00 0.00 174.94 175.80 1dm3 s ARG 220 N -0.65 3.98 0.19 2.79 1.70 -1.26 -5.06 118.95 120.63 1dm3 s ARG 220 Ca 0.59 -0.34 -0.30 0.00 -0.47 0.00 0.00 55.73 55.21 1dm3 s ARG 220 Cb -0.44 -3.24 -0.08 0.00 -0.57 0.00 0.00 34.95 30.63 1dm3 s ARG 220 CO 0.47 0.25 1.07 -1.01 -1.08 0.00 0.00 175.30 175.01 1dm3 s HIS 221 N 0.43 3.65 -1.45 5.89 3.76 -1.26 -3.94 115.29 122.36 1dm3 s HIS 221 Ca 0.03 1.65 -0.00 0.00 -0.15 0.00 0.00 55.06 56.59 1dm3 s HIS 221 Cb -0.12 -3.23 0.00 0.00 1.11 0.00 0.00 32.58 30.34 1dm3 s HIS 221 CO 0.00 -0.43 0.06 0.41 -0.85 0.00 0.00 174.74 173.93 1dm3 n GLY 222 N 1.94 -0.34 3.62 -2.22 0.00 -1.26 -4.93 105.19 102.01 1dm3 n GLY 222 Ca 0.02 -0.14 -0.49 0.00 0.00 0.00 0.00 46.02 45.40 1dm3 n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm3 n ALA 223 N -2.01 0.03 -2.75 4.61 0.00 -1.25 -4.96 120.51 114.17 1dm3 n ALA 223 Ca -0.19 0.48 -0.21 0.00 0.00 0.00 0.00 53.44 53.51 1dm3 n ALA 223 Cb 0.65 -2.18 -0.04 0.00 0.00 0.00 0.00 19.45 17.88 1dm3 n ALA 223 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1dm3 s THR 224 N 0.51 4.33 0.07 0.00 -4.23 -1.26 -4.96 115.64 110.10 1dm3 s THR 224 Ca 0.80 -1.33 0.08 0.00 -1.18 0.00 0.00 61.69 60.06 1dm3 s THR 224 Cb -0.82 -3.41 -0.22 0.00 1.34 0.00 0.00 72.50 69.39 1dm3 s THR 224 CO 0.45 -0.30 1.10 0.25 -0.54 0.00 0.00 174.62 175.57 1dm3 h LEU 225 N 1.37 0.03 0.02 4.79 5.85 -1.95 -3.16 115.31 122.25 1dm3 h LEU 225 Ca -0.48 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 1dm3 h LEU 225 Cb 1.24 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1dm3 h LEU 225 CO 0.60 1.03 -0.01 0.44 -0.34 0.00 0.00 178.44 180.16 1dm3 h ASP 226 N 0.00 -0.02 -0.38 1.25 3.32 -1.98 -0.76 116.42 117.86 1dm3 h ASP 226 Ca -0.09 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.74 1dm3 h ASP 226 Cb 1.85 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 41.38 1dm3 h ASP 226 CO 0.12 0.17 0.12 0.77 -1.72 0.00 0.00 179.24 178.70 1dm3 h SER 227 N -0.21 0.62 -0.64 6.45 4.64 -1.99 -2.35 113.55 120.07 1dm3 h SER 227 Ca -0.00 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 1dm3 h SER 227 Cb 0.20 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 1dm3 h SER 227 CO 0.00 0.61 0.28 -0.03 -0.87 0.00 0.00 176.83 176.82 1dm3 h MET 228 N 0.65 0.94 0.00 4.77 -1.53 -1.47 -3.04 114.93 115.26 1dm3 h MET 228 Ca 0.15 -0.15 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1dm3 h MET 228 Cb 0.23 -0.16 0.00 0.00 -0.55 0.00 0.00 31.60 31.12 1dm3 h MET 228 CO -0.00 0.77 0.00 0.00 0.14 0.00 0.00 176.91 177.82 1dm3 n ALA 229 N -2.37 2.23 0.12 0.39 0.00 -0.31 -3.37 120.51 117.20 1dm3 n ALA 229 Ca 0.04 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.53 1dm3 n ALA 229 Cb 0.15 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1dm3 n ALA 229 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1dm3 n LYS 230 N -1.71 0.60 -1.79 0.00 5.02 -0.94 -4.95 118.16 114.39 1dm3 n LYS 230 Ca 0.06 0.12 -0.35 0.00 -2.02 0.00 0.00 58.31 56.12 1dm3 n LYS 230 Cb 0.34 -1.82 0.06 0.00 -0.02 0.00 0.00 35.03 33.59 1dm3 n LYS 230 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dm3 s LEU 231 N -5.31 3.52 0.20 -0.35 1.43 -1.22 -5.03 118.68 111.93 1dm3 s LEU 231 Ca -0.00 2.35 -0.04 0.00 -1.03 0.00 0.00 54.13 55.40 1dm3 s LEU 231 Cb 0.10 -4.59 -0.05 0.00 0.03 0.00 0.00 46.19 41.67 1dm3 s LEU 231 CO 0.79 -1.82 0.44 -0.13 0.23 0.00 0.00 176.35 175.86 1dm3 s ARG 232 N -3.60 3.61 0.28 1.70 0.52 -1.26 -5.03 118.95 115.18 1dm3 s ARG 232 Ca 0.76 -0.10 -0.30 0.00 -0.52 0.00 0.00 55.73 55.57 1dm3 s ARG 232 Cb -0.29 -2.77 -0.11 0.00 0.52 0.00 0.00 34.95 32.29 1dm3 s ARG 232 CO 0.38 0.37 1.56 -2.14 0.02 0.00 0.00 175.30 175.49 1dm3 s PRO 233 N -3.08 4.15 0.05 3.54 0.02 -1.26 -4.46 135.00 133.96 1dm3 s PRO 233 Ca 0.42 2.52 0.11 0.00 0.02 0.00 0.00 61.00 64.07 1dm3 s PRO 233 Cb -0.11 -3.04 -0.19 0.00 0.02 0.00 0.00 34.50 31.18 1dm3 s PRO 233 CO 0.27 -0.59 0.95 0.00 -0.33 0.00 0.00 177.00 177.30 1dm3 h ALA 234 N 4.94 0.61 0.00 -1.55 0.00 -1.69 -3.44 119.26 118.14 1dm3 h ALA 234 Ca -0.47 -1.12 -0.15 0.00 0.00 0.00 0.00 54.91 53.17 1dm3 h ALA 234 Cb 1.22 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1dm3 h ALA 234 CO 0.79 1.31 -1.49 1.19 0.00 0.00 0.00 179.25 181.05 1dm3 n PHE 235 N -3.14 0.00 -3.41 0.00 3.72 -1.26 -4.93 117.46 108.44 1dm3 n PHE 235 Ca -0.09 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.90 1dm3 n PHE 235 Cb 0.96 -0.32 -0.09 0.00 -0.94 0.00 0.00 39.48 39.09 1dm3 n PHE 235 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1dm3 s ASP 236 N -5.79 6.16 0.44 4.37 -1.08 -1.26 -4.96 116.67 114.54 1dm3 s ASP 236 Ca -0.12 -0.42 0.27 0.00 -0.52 0.00 0.00 52.55 51.76 1dm3 s ASP 236 Cb 0.05 -2.19 1.33 0.00 -1.46 0.00 0.00 42.92 40.65 1dm3 s ASP 236 CO 0.16 -0.39 1.69 0.11 0.52 0.00 0.00 175.17 177.26 1dm3 h LYS 237 N 8.54 0.18 -0.87 4.34 6.56 -1.92 1.14 116.57 134.54 1dm3 h LYS 237 Ca -0.29 -0.01 -0.56 0.00 -1.06 0.00 0.00 60.65 58.73 1dm3 h LYS 237 Cb 1.14 -0.04 -0.42 0.00 -0.57 0.00 0.00 32.23 32.33 1dm3 h LYS 237 CO 0.71 0.12 -0.76 -0.85 -2.06 0.00 0.00 179.45 176.61 1dm3 n GLU 238 N -4.61 3.57 0.00 3.15 0.28 -1.26 -4.75 120.64 117.02 1dm3 n GLU 238 Ca 0.32 -4.19 0.00 0.00 -0.16 0.00 0.00 57.16 53.13 1dm3 n GLU 238 Cb 1.24 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 31.83 1dm3 n GLU 238 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1dm3 n GLY 239 N -0.68 0.33 0.00 -1.84 0.00 0.39 -5.08 105.19 98.31 1dm3 n GLY 239 Ca 0.44 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1dm3 n GLY 239 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1dm3 n THR 240 N 0.00 0.00 -3.34 2.61 5.66 -1.26 -4.81 114.28 113.13 1dm3 n THR 240 Ca 0.00 -0.08 -0.38 0.00 -3.05 0.00 0.00 64.05 60.54 1dm3 n THR 240 Cb 0.00 0.60 -0.06 0.00 -1.55 0.00 0.00 70.33 69.32 1dm3 n THR 240 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1dm3 s VAL 241 N -0.47 5.12 0.44 1.08 1.01 -1.26 -4.77 120.40 121.55 1dm3 s VAL 241 Ca 0.00 0.96 0.03 0.00 0.00 0.00 0.00 61.98 62.97 1dm3 s VAL 241 Cb 0.00 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1dm3 s VAL 241 CO 0.00 0.39 0.06 0.42 0.00 0.00 0.00 175.10 175.97 1dm3 s THR 242 N 0.16 1.02 0.34 3.92 -4.23 -1.26 -1.84 115.64 113.75 1dm3 s THR 242 Ca 0.26 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.85 1dm3 s THR 242 Cb -0.16 -2.39 0.10 0.00 1.34 0.00 0.00 72.50 71.39 1dm3 s THR 242 CO 0.12 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 176.01 1dm3 h ALA 243 N 1.66 1.31 -0.05 3.99 0.00 -1.89 -2.74 119.26 121.54 1dm3 h ALA 243 Ca -0.40 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.04 1dm3 h ALA 243 Cb 1.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1dm3 h ALA 243 CO 0.67 0.47 -0.68 0.78 0.00 0.00 0.00 179.25 180.49 1dm3 h GLY 244 N 0.98 0.24 -2.49 0.00 0.00 -1.93 -3.27 103.07 96.61 1dm3 h GLY 244 Ca 0.04 -0.34 -0.19 0.00 0.00 0.00 0.00 47.33 46.84 1dm3 h GLY 244 CO 0.04 0.30 0.11 1.16 0.00 0.00 0.00 176.54 178.15 1dm3 n ASN 245 N -3.81 3.41 -4.18 0.19 0.23 -1.07 -4.87 115.26 105.16 1dm3 n ASN 245 Ca -0.03 -3.47 -0.16 0.00 -0.53 0.00 0.00 54.58 50.39 1dm3 n ASN 245 Cb 0.67 -0.66 -0.11 0.00 -2.08 0.00 0.00 39.78 37.60 1dm3 n ASN 245 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1dm3 s ALA 246 N -3.11 1.16 1.19 -2.53 0.00 -1.06 -1.14 121.76 116.27 1dm3 s ALA 246 Ca 0.48 -1.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.15 1dm3 s ALA 246 Cb 0.41 -0.04 0.28 0.00 0.00 0.00 0.00 23.12 23.77 1dm3 s ALA 246 CO 0.06 0.07 1.11 -1.54 0.00 0.00 0.00 175.76 175.46 1dm3 s SER 247 N -2.11 1.03 0.00 0.00 1.04 -0.49 -4.79 113.70 108.38 1dm3 s SER 247 Ca 0.02 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.10 1dm3 s SER 247 Cb -0.06 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 65.14 1dm3 s SER 247 CO 0.01 -4.06 0.00 0.61 0.98 0.00 0.00 173.24 170.79 1dm3 n GLY 248 N -1.00 4.12 3.55 7.32 0.00 -1.26 -4.98 105.19 112.94 1dm3 n GLY 248 Ca 0.13 -2.08 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 1dm3 n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dm3 s LEU 249 N 0.00 3.68 0.28 0.99 1.43 -1.26 -4.06 118.68 119.74 1dm3 s LEU 249 Ca 0.00 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 52.93 1dm3 s LEU 249 Cb 0.00 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.26 1dm3 s LEU 249 CO 0.00 0.06 0.53 0.20 0.23 0.00 0.00 176.35 177.36 1dm3 s ASN 250 N 1.09 0.10 0.08 2.29 -0.87 -1.26 -3.05 114.94 113.32 1dm3 s ASN 250 Ca 0.05 -1.04 0.09 0.00 -1.57 0.00 0.00 52.86 50.38 1dm3 s ASN 250 Cb -0.14 0.64 -0.03 0.00 -0.02 0.00 0.00 41.25 41.70 1dm3 s ASN 250 CO 0.03 -1.25 -0.23 -1.81 -2.57 0.00 0.00 177.10 171.28 1dm3 s ASP 251 N -3.06 2.75 0.00 -1.22 1.01 -1.16 -3.53 116.67 111.46 1dm3 s ASP 251 Ca 0.22 -0.62 0.00 0.00 0.71 0.00 0.00 52.55 52.86 1dm3 s ASP 251 Cb -0.01 -0.20 0.00 0.00 1.01 0.00 0.00 42.92 43.72 1dm3 s ASP 251 CO 0.11 0.15 0.00 0.61 0.21 0.00 0.00 175.17 176.25 1dm3 n GLY 252 N 1.43 0.72 3.17 0.21 0.00 0.48 -0.77 105.19 110.43 1dm3 n GLY 252 Ca -0.18 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.63 1dm3 n GLY 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm3 s ALA 253 N -2.00 -0.37 -0.04 4.61 0.00 -1.26 -0.58 121.76 122.12 1dm3 s ALA 253 Ca 0.00 -0.25 -0.27 0.00 0.00 0.00 0.00 51.96 51.44 1dm3 s ALA 253 Cb 0.00 0.25 0.06 0.00 0.00 0.00 0.00 23.12 23.43 1dm3 s ALA 253 CO 0.00 -0.34 0.59 0.00 0.00 0.00 0.00 175.76 176.01 1dm3 s ALA 254 N -2.39 -1.52 0.33 0.00 0.00 -0.87 -0.65 121.76 116.66 1dm3 s ALA 254 Ca -0.06 1.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.83 1dm3 s ALA 254 Cb -0.02 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1dm3 s ALA 254 CO -0.03 -0.34 0.64 0.00 0.00 0.00 0.00 175.76 176.03 1dm3 s ALA 255 N -1.23 -0.40 -0.03 0.00 0.00 0.07 -0.51 121.76 119.68 1dm3 s ALA 255 Ca -0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 50.94 1dm3 s ALA 255 Cb -0.01 0.90 0.01 0.00 0.00 0.00 0.00 23.12 24.01 1dm3 s ALA 255 CO 0.09 -0.93 0.10 0.00 0.00 0.00 0.00 175.76 175.02 1dm3 s ALA 256 N -3.16 -0.24 -0.26 0.00 0.00 0.57 -1.44 121.76 117.23 1dm3 s ALA 256 Ca 0.19 0.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.15 1dm3 s ALA 256 Cb -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 1dm3 s ALA 256 CO 0.12 -0.10 0.25 -1.17 0.00 0.00 0.00 175.76 174.87 1dm3 s LEU 257 N -0.40 4.06 0.09 0.00 0.20 -0.57 -1.89 118.68 120.18 1dm3 s LEU 257 Ca -0.05 0.15 0.07 0.00 0.69 0.00 0.00 54.13 55.00 1dm3 s LEU 257 Cb -0.03 -2.24 -0.04 0.00 -0.43 0.00 0.00 46.19 43.45 1dm3 s LEU 257 CO 0.00 -0.06 -0.13 -0.76 -0.29 0.00 0.00 176.35 175.11 1dm3 s LEU 258 N 1.64 2.91 0.08 -0.68 2.01 0.28 0.28 118.68 125.20 1dm3 s LEU 258 Ca 0.11 -0.41 -0.27 0.00 0.01 0.00 0.00 54.13 53.56 1dm3 s LEU 258 Cb -0.15 -1.72 0.09 0.00 0.01 0.00 0.00 46.19 44.41 1dm3 s LEU 258 CO 0.09 0.20 1.05 0.00 1.01 0.00 0.00 176.35 178.70 1dm3 s MET 259 N -2.03 0.92 0.67 1.70 0.23 -0.74 -2.21 119.30 117.84 1dm3 s MET 259 Ca 0.19 -0.49 -0.16 0.00 -1.03 0.00 0.00 55.69 54.21 1dm3 s MET 259 Cb -0.11 0.32 0.00 0.00 -1.53 0.00 0.00 34.83 33.52 1dm3 s MET 259 CO 0.11 -0.42 1.14 -1.54 -2.03 0.00 0.00 175.02 172.29 1dm3 s SER 260 N -2.89 4.90 0.29 -1.18 1.04 -1.26 -0.70 113.70 113.90 1dm3 s SER 260 Ca 0.12 2.14 0.03 0.00 0.48 0.00 0.00 55.95 58.71 1dm3 s SER 260 Cb 0.00 -2.57 0.60 0.00 0.10 0.00 0.00 66.02 64.16 1dm3 s SER 260 CO -0.01 -1.78 1.84 -0.08 0.98 0.00 0.00 173.24 174.19 1dm3 h GLU 261 N 0.08 0.92 0.33 4.02 4.81 -0.55 -1.88 114.58 122.30 1dm3 h GLU 261 Ca -0.47 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 1dm3 h GLU 261 Cb 1.26 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1dm3 h GLU 261 CO 0.53 0.61 -0.16 0.00 -0.73 0.00 0.00 179.01 179.26 1dm3 h ALA 262 N 1.55 -0.44 -0.60 2.92 0.00 -1.90 -1.70 119.26 119.08 1dm3 h ALA 262 Ca 0.49 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.41 1dm3 h ALA 262 Cb 0.54 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 1dm3 h ALA 262 CO -0.26 -0.75 0.19 1.49 0.00 0.00 0.00 179.25 179.92 1dm3 h GLU 263 N -0.44 0.33 -0.55 0.00 4.57 -1.82 0.47 114.58 117.13 1dm3 h GLU 263 Ca -0.05 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1dm3 h GLU 263 Cb 0.34 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 1dm3 h GLU 263 CO 0.07 0.22 0.36 0.00 -1.18 0.00 0.00 179.01 178.48 1dm3 h ALA 264 N 1.44 0.71 -0.47 2.92 0.00 -1.19 -1.86 119.26 120.81 1dm3 h ALA 264 Ca 0.31 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1dm3 h ALA 264 Cb 0.42 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1dm3 h ALA 264 CO -0.35 0.11 0.31 1.03 0.00 0.00 0.00 179.25 180.35 1dm3 h SER 265 N 0.72 0.53 -0.67 0.00 0.87 -0.24 -1.32 113.55 113.44 1dm3 h SER 265 Ca 0.21 -0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.82 1dm3 h SER 265 Cb -0.05 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.74 1dm3 h SER 265 CO -0.06 0.38 0.44 0.03 -0.53 0.00 0.00 176.83 177.09 1dm3 h ARG 266 N 0.63 0.66 0.00 2.24 3.08 0.34 -2.66 114.38 118.67 1dm3 h ARG 266 Ca 0.18 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1dm3 h ARG 266 Cb -0.06 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.84 1dm3 h ARG 266 CO -0.04 0.44 -0.33 0.54 -1.07 0.00 0.00 179.97 179.50 1dm3 n ARG 267 N -4.48 0.11 -0.81 0.04 1.74 -0.60 -4.95 116.66 107.71 1dm3 n ARG 267 Ca 0.10 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1dm3 n ARG 267 Cb 0.23 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1dm3 n ARG 267 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dm3 n GLY 268 N 1.44 0.58 3.75 -0.13 0.00 -0.63 -5.02 105.19 105.18 1dm3 n GLY 268 Ca 0.05 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1dm3 n GLY 268 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dm3 s ILE 269 N -2.00 4.11 -0.47 -0.61 1.01 -0.80 -5.02 121.20 117.43 1dm3 s ILE 269 Ca 0.00 2.03 -0.10 0.00 0.00 0.00 0.00 60.65 62.58 1dm3 s ILE 269 Cb 0.00 -4.29 0.11 0.00 0.01 0.00 0.00 42.46 38.29 1dm3 s ILE 269 CO 0.00 0.48 0.35 -1.10 0.00 0.00 0.00 174.94 174.66 1dm3 s GLN 270 N -1.24 2.59 0.74 2.79 -1.52 -1.26 -4.50 119.66 117.27 1dm3 s GLN 270 Ca 0.41 -1.67 -0.13 0.00 -1.95 0.00 0.00 55.36 52.02 1dm3 s GLN 270 Cb -0.25 -3.95 0.05 0.00 -0.22 0.00 0.00 33.01 28.63 1dm3 s GLN 270 CO 0.31 -1.15 1.14 -2.14 -0.25 0.00 0.00 175.29 173.20 1dm3 s PRO 271 N 1.42 2.22 0.44 2.91 0.02 -1.26 -4.92 135.00 135.84 1dm3 s PRO 271 Ca 0.05 1.45 0.23 0.00 0.02 0.00 0.00 61.00 62.75 1dm3 s PRO 271 Cb -0.26 -1.87 0.40 0.00 0.02 0.00 0.00 34.50 32.79 1dm3 s PRO 271 CO 0.01 -1.71 1.63 -0.07 -0.33 0.00 0.00 177.00 176.53 1dm3 h LEU 272 N -0.63 0.00 0.00 -5.54 -0.00 -1.39 -3.42 115.31 104.33 1dm3 h LEU 272 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 1dm3 h LEU 272 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 1dm3 h LEU 272 CO 0.50 0.01 0.00 0.61 -0.00 0.00 0.00 178.44 179.56 1dm3 n GLY 273 N 1.04 1.91 3.50 0.83 0.00 -1.23 -4.76 105.19 106.48 1dm3 n GLY 273 Ca 0.04 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 1dm3 n GLY 273 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dm3 s ARG 274 N -2.00 3.70 -0.66 1.61 3.52 0.20 -0.62 118.95 124.70 1dm3 s ARG 274 Ca 0.00 -0.50 -0.27 0.00 -0.13 0.00 0.00 55.73 54.83 1dm3 s ARG 274 Cb 0.00 -3.00 0.01 0.00 -1.56 0.00 0.00 34.95 30.40 1dm3 s ARG 274 CO 0.00 0.18 1.49 0.42 -0.81 0.00 0.00 175.30 176.57 1dm3 s ILE 275 N 0.55 3.63 0.00 4.11 1.01 -0.81 -1.43 121.20 128.27 1dm3 s ILE 275 Ca -0.02 0.42 -0.12 0.00 0.00 0.00 0.00 60.65 60.93 1dm3 s ILE 275 Cb -0.14 -4.51 -0.33 0.00 0.01 0.00 0.00 42.46 37.49 1dm3 s ILE 275 CO 0.02 -1.40 0.88 -0.37 0.00 0.00 0.00 174.94 174.07 1dm3 h VAL 276 N 6.37 1.16 -3.05 2.92 -1.51 -1.39 -3.44 116.25 117.31 1dm3 h VAL 276 Ca -0.27 -2.67 0.04 0.00 -1.23 0.00 0.00 66.70 62.57 1dm3 h VAL 276 Cb 1.09 2.91 -0.04 0.00 -2.13 0.00 0.00 31.29 33.12 1dm3 h VAL 276 CO 1.23 0.83 0.21 -0.94 -1.23 0.00 0.00 177.57 177.68 1dm3 s SER 277 N -7.40 -0.19 0.15 4.19 1.04 -1.17 -4.75 113.70 105.57 1dm3 s SER 277 Ca -0.11 -0.73 -0.16 0.00 0.48 0.00 0.00 55.95 55.42 1dm3 s SER 277 Cb 0.05 0.74 0.03 0.00 0.10 0.00 0.00 66.02 66.94 1dm3 s SER 277 CO 0.90 -1.40 0.44 -1.66 0.98 0.00 0.00 173.24 172.51 1dm3 s TRP 278 N -3.64 -0.17 -0.11 5.02 1.48 -1.26 -0.16 118.94 120.10 1dm3 s TRP 278 Ca 0.13 -0.15 -0.28 0.00 -1.06 0.00 0.00 56.10 54.74 1dm3 s TRP 278 Cb -0.05 0.30 0.07 0.00 -1.16 0.00 0.00 33.47 32.62 1dm3 s TRP 278 CO 0.08 -0.77 0.65 0.00 -4.06 0.00 0.00 176.95 172.86 1dm3 s ALA 279 N -3.83 -1.67 -0.02 2.67 0.00 0.34 -4.73 121.76 114.52 1dm3 s ALA 279 Ca 0.05 1.43 0.03 0.00 0.00 0.00 0.00 51.96 53.47 1dm3 s ALA 279 Cb 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1dm3 s ALA 279 CO -0.09 -0.35 -0.10 -0.08 0.00 0.00 0.00 175.76 175.15 1dm3 s THR 280 N -0.74 0.82 0.02 0.00 -1.32 -1.26 -0.68 115.64 112.49 1dm3 s THR 280 Ca -0.08 -0.39 -0.08 0.00 -1.21 0.00 0.00 61.69 59.93 1dm3 s THR 280 Cb -0.02 -0.72 0.00 0.00 -1.51 0.00 0.00 72.50 70.25 1dm3 s THR 280 CO 0.07 0.25 0.16 -0.69 -2.21 0.00 0.00 174.62 172.21 1dm3 s VAL 281 N 0.13 0.10 0.19 5.08 1.01 -0.91 -4.98 120.40 121.02 1dm3 s VAL 281 Ca -0.02 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1dm3 s VAL 281 Cb -0.08 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1dm3 s VAL 281 CO 0.00 -0.44 0.31 -0.83 0.00 0.00 0.00 175.10 174.14 1dm3 s GLY 282 N -1.72 1.49 0.32 4.51 0.00 -1.26 -0.15 107.32 110.50 1dm3 s GLY 282 Ca -0.10 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.50 1dm3 s GLY 282 CO -0.01 -1.14 0.39 3.33 0.00 0.00 0.00 173.10 175.67 1dm3 n VAL 283 N -0.93 0.00 -1.97 1.40 0.24 0.27 -4.91 118.33 112.43 1dm3 n VAL 283 Ca -0.08 -1.82 -0.42 0.00 -2.04 0.00 0.00 64.34 59.98 1dm3 n VAL 283 Cb 0.55 1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 33.94 1dm3 n VAL 283 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1dm3 s ASP 284 N -3.04 6.64 0.26 -1.34 -1.08 -1.26 -4.40 116.67 112.45 1dm3 s ASP 284 Ca 0.30 2.46 -0.02 0.00 -0.52 0.00 0.00 52.55 54.77 1dm3 s ASP 284 Cb -0.00 -2.57 0.58 0.00 -1.46 0.00 0.00 42.92 39.47 1dm3 s ASP 284 CO 0.21 -0.85 1.68 -0.65 0.52 0.00 0.00 175.17 176.09 1dm3 h PRO 285 N 7.93 0.28 -0.80 4.34 0.11 -1.85 -0.26 132.00 141.75 1dm3 h PRO 285 Ca -0.42 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.83 1dm3 h PRO 285 Cb 1.20 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 1dm3 h PRO 285 CO 0.92 0.18 0.53 0.87 -0.21 0.00 0.00 178.00 180.29 1dm3 h LYS 286 N 0.29 0.46 -1.13 1.05 1.57 -1.91 -2.23 116.57 114.66 1dm3 h LYS 286 Ca 0.48 -0.03 -0.55 0.00 -1.87 0.00 0.00 60.65 58.68 1dm3 h LYS 286 Cb 0.87 -0.10 -0.42 0.00 0.08 0.00 0.00 32.23 32.66 1dm3 h LYS 286 CO -0.55 0.30 -0.80 1.33 -0.57 0.00 0.00 179.45 179.17 1dm3 n VAL 287 N -4.50 2.36 0.06 0.50 0.24 -0.16 -4.44 118.33 112.40 1dm3 n VAL 287 Ca 0.15 -4.50 0.21 0.00 -2.04 0.00 0.00 64.34 58.16 1dm3 n VAL 287 Cb 0.53 -1.07 0.74 0.00 -1.47 0.00 0.00 33.84 32.57 1dm3 n VAL 287 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dm3 h MET 288 N 2.42 0.00 0.00 7.34 -0.00 -0.85 -0.98 114.93 122.86 1dm3 h MET 288 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.01 1dm3 h MET 288 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.81 1dm3 h MET 288 CO 0.78 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 178.10 1dm3 n GLY 289 N -1.52 -0.97 0.06 -3.00 0.00 -1.26 -1.95 105.19 96.55 1dm3 n GLY 289 Ca 0.08 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1dm3 n GLY 289 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dm3 n THR 290 N -1.62 0.00 -0.33 2.61 -2.24 -0.37 -4.49 114.28 107.84 1dm3 n THR 290 Ca 0.03 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1dm3 n THR 290 Cb 0.15 0.05 0.05 0.00 -2.10 0.00 0.00 70.33 68.48 1dm3 n THR 290 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dm3 n GLY 291 N 1.43 -1.73 0.31 3.38 0.00 -0.82 -0.67 105.19 107.09 1dm3 n GLY 291 Ca 0.09 0.96 0.16 0.00 0.00 0.00 0.00 46.02 47.23 1dm3 n GLY 291 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dm3 h PRO 292 N 0.00 0.00 0.21 1.61 0.11 -1.79 -2.86 132.00 129.28 1dm3 h PRO 292 Ca 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.42 1dm3 h PRO 292 Cb 0.53 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 1dm3 h PRO 292 CO -0.86 0.00 -0.13 0.82 -0.21 0.00 0.00 178.00 177.62 1dm3 h ILE 293 N 0.00 0.00 -0.92 4.15 2.04 -1.24 0.19 117.51 121.73 1dm3 h ILE 293 Ca 0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1dm3 h ILE 293 Cb 0.18 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.21 1dm3 h ILE 293 CO -0.00 0.00 0.57 1.55 0.00 0.00 0.00 178.15 180.27 1dm3 h PRO 294 N -0.32 1.24 -0.02 2.37 0.13 -1.73 -2.18 132.00 131.50 1dm3 h PRO 294 Ca -0.03 -0.10 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1dm3 h PRO 294 Cb 0.26 -0.27 -0.00 0.00 0.13 0.00 0.00 31.00 31.12 1dm3 h PRO 294 CO 0.03 0.86 0.01 0.00 -0.23 0.00 0.00 178.00 178.67 1dm3 h ALA 295 N 1.31 0.02 -0.21 -0.56 0.00 -1.47 -0.37 119.26 117.98 1dm3 h ALA 295 Ca 0.33 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1dm3 h ALA 295 Cb -0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1dm3 h ALA 295 CO -0.06 -0.45 0.07 0.77 0.00 0.00 0.00 179.25 179.58 1dm3 h SER 296 N -0.04 0.09 -0.58 0.00 0.02 -0.49 -0.35 113.55 112.18 1dm3 h SER 296 Ca 0.01 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.04 1dm3 h SER 296 Cb 0.07 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 1dm3 h SER 296 CO -0.00 0.08 0.28 0.03 -1.14 0.00 0.00 176.83 176.08 1dm3 h ARG 297 N 0.17 0.51 -0.47 3.45 3.08 -1.24 -0.32 114.38 119.56 1dm3 h ARG 297 Ca 0.09 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1dm3 h ARG 297 Cb 0.05 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1dm3 h ARG 297 CO -0.09 0.33 0.22 -0.22 -1.07 0.00 0.00 179.97 179.15 1dm3 h LYS 298 N 0.52 0.68 -0.14 0.04 3.11 -0.70 -1.55 116.57 118.53 1dm3 h LYS 298 Ca 0.27 -0.10 -0.11 0.00 -2.81 0.00 0.00 60.65 57.90 1dm3 h LYS 298 Cb 0.23 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.33 1dm3 h LYS 298 CO -0.21 0.58 -0.39 0.00 -2.81 0.00 0.00 179.45 176.62 1dm3 h ALA 299 N 1.06 1.08 -0.54 5.00 0.00 -0.57 -0.54 119.26 124.75 1dm3 h ALA 299 Ca 0.16 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1dm3 h ALA 299 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1dm3 h ALA 299 CO -0.02 0.59 0.09 -0.07 0.00 0.00 0.00 179.25 179.84 1dm3 h LEU 300 N 0.25 0.86 0.04 0.00 3.38 -0.72 -2.07 115.31 117.05 1dm3 h LEU 300 Ca 0.02 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1dm3 h LEU 300 Cb 0.81 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1dm3 h LEU 300 CO 0.06 0.90 -0.22 -0.08 0.09 0.00 0.00 178.44 179.20 1dm3 h GLU 301 N 0.79 -0.35 0.00 1.13 4.81 -0.97 0.31 114.58 120.29 1dm3 h GLU 301 Ca 0.17 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1dm3 h GLU 301 Cb 0.40 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1dm3 h GLU 301 CO 0.01 -0.24 -0.17 0.00 -0.73 0.00 0.00 179.01 177.88 1dm3 h ARG 302 N -0.37 0.00 0.00 1.92 3.08 -1.02 -1.88 114.38 116.11 1dm3 h ARG 302 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1dm3 h ARG 302 Cb 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1dm3 h ARG 302 CO -0.17 0.17 -0.43 0.00 -1.07 0.00 0.00 179.97 178.47 1dm3 h ALA 303 N 1.83 0.79 0.00 0.04 0.00 -0.68 -3.47 119.26 117.77 1dm3 h ALA 303 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1dm3 h ALA 303 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1dm3 h ALA 303 CO 0.02 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1dm3 n GLY 304 N 1.15 0.46 3.91 0.00 0.00 0.92 -5.03 105.19 106.59 1dm3 n GLY 304 Ca 0.02 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.83 1dm3 n GLY 304 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dm3 s TRP 305 N -2.00 3.42 0.14 1.61 0.51 -0.25 -5.01 118.94 117.36 1dm3 s TRP 305 Ca 0.00 0.09 0.00 0.00 -2.12 0.00 0.00 56.10 54.07 1dm3 s TRP 305 Cb 0.00 -1.64 -0.04 0.00 -0.81 0.00 0.00 33.47 30.98 1dm3 s TRP 305 CO 0.00 0.52 0.30 0.15 -0.51 0.00 0.00 176.95 177.41 1dm3 s LYS 306 N -3.20 3.48 0.25 4.98 1.02 -1.26 -4.29 119.74 120.71 1dm3 s LYS 306 Ca 0.34 -0.44 -0.03 0.00 0.02 0.00 0.00 55.97 55.86 1dm3 s LYS 306 Cb -0.11 -2.94 0.46 0.00 -0.52 0.00 0.00 37.83 34.72 1dm3 s LYS 306 CO 0.27 0.50 1.79 0.82 -0.92 0.00 0.00 175.35 177.81 1dm3 h ILE 307 N 1.76 0.82 -0.66 2.17 1.08 -1.97 -1.30 117.51 119.40 1dm3 h ILE 307 Ca -0.47 -0.24 0.18 0.00 -0.39 0.00 0.00 64.86 63.94 1dm3 h ILE 307 Cb 1.18 0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 1dm3 h ILE 307 CO 0.71 0.13 0.47 1.23 -0.69 0.00 0.00 178.15 180.00 1dm3 h GLY 308 N 0.70 0.10 2.00 5.37 0.00 -1.98 -1.56 103.07 107.71 1dm3 h GLY 308 Ca 0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 1dm3 h GLY 308 CO -0.30 0.01 -0.06 -0.55 0.00 0.00 0.00 176.54 175.63 1dm3 h ASP 309 N 0.06 0.00 -3.74 0.19 3.32 -1.63 -3.44 116.42 111.18 1dm3 h ASP 309 Ca 0.32 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.85 1dm3 h ASP 309 Cb 1.19 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.79 1dm3 h ASP 309 CO -0.02 0.06 0.65 -0.76 -1.72 0.00 0.00 179.24 177.45 1dm3 s LEU 310 N -6.91 4.43 -0.03 1.55 1.43 -0.59 -4.63 118.68 113.94 1dm3 s LEU 310 Ca -0.03 2.62 0.19 0.00 -1.03 0.00 0.00 54.13 55.88 1dm3 s LEU 310 Cb 0.13 -3.64 -0.29 0.00 0.03 0.00 0.00 46.19 42.42 1dm3 s LEU 310 CO 0.54 -0.53 0.41 0.47 0.23 0.00 0.00 176.35 177.46 1dm3 n ASP 311 N 1.29 0.72 -3.73 2.29 8.00 0.31 -4.99 116.55 120.45 1dm3 n ASP 311 Ca 0.02 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.38 1dm3 n ASP 311 Cb 0.42 1.84 -0.10 0.00 -0.02 0.00 0.00 41.12 43.26 1dm3 n ASP 311 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1dm3 s LEU 312 N -4.32 0.49 0.02 0.64 2.96 -1.04 -4.90 118.68 112.53 1dm3 s LEU 312 Ca -0.07 0.70 0.03 0.00 -0.22 0.00 0.00 54.13 54.56 1dm3 s LEU 312 Cb 0.12 1.40 -0.01 0.00 0.50 0.00 0.00 46.19 48.20 1dm3 s LEU 312 CO 0.78 -0.20 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.83 1dm3 s VAL 313 N -0.07 0.63 -0.27 1.68 1.01 0.18 -2.19 120.40 121.37 1dm3 s VAL 313 Ca -0.02 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1dm3 s VAL 313 Cb -0.03 -0.59 0.08 0.00 0.00 0.00 0.00 36.38 35.84 1dm3 s VAL 313 CO 0.01 -0.04 -0.00 -1.61 0.00 0.00 0.00 175.10 173.46 1dm3 s GLU 314 N -0.76 1.40 -0.28 2.72 0.41 0.09 -0.80 118.70 121.48 1dm3 s GLU 314 Ca -0.01 -1.18 0.03 0.00 -0.41 0.00 0.00 54.97 53.40 1dm3 s GLU 314 Cb -0.06 -2.59 0.07 0.00 -1.78 0.00 0.00 34.13 29.78 1dm3 s GLU 314 CO 0.00 -0.74 -0.06 0.00 -0.49 0.00 0.00 175.26 173.97 1dm3 s ALA 315 N 1.35 2.61 0.15 5.21 0.00 -1.26 -0.52 121.76 129.30 1dm3 s ALA 315 Ca 0.01 -1.97 -0.34 0.00 0.00 0.00 0.00 51.96 49.66 1dm3 s ALA 315 Cb -0.19 -1.69 -0.15 0.00 0.00 0.00 0.00 23.12 21.10 1dm3 s ALA 315 CO -0.10 -1.35 1.47 -1.71 0.00 0.00 0.00 175.76 174.07 1dm3 n ASN 316 N 4.40 2.56 -4.39 0.00 5.15 -0.55 -4.89 115.26 117.53 1dm3 n ASN 316 Ca -0.08 1.10 -0.45 0.00 -0.60 0.00 0.00 54.58 54.55 1dm3 n ASN 316 Cb 0.42 -1.35 -0.01 0.00 -0.53 0.00 0.00 39.78 38.31 1dm3 n ASN 316 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1dm3 s GLU 317 N 0.55 3.96 0.08 1.20 2.02 -1.26 -4.74 118.70 120.52 1dm3 s GLU 317 Ca 0.79 -2.64 -0.17 0.00 0.02 0.00 0.00 54.97 52.97 1dm3 s GLU 317 Cb -0.76 -4.75 -0.09 0.00 0.10 0.00 0.00 34.13 28.63 1dm3 s GLU 317 CO 0.43 -1.50 1.44 0.00 0.02 0.00 0.00 175.26 175.64 1dm3 h ALA 318 N 7.38 0.37 -2.99 5.21 0.00 -1.95 -3.29 119.26 124.00 1dm3 h ALA 318 Ca 0.20 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1dm3 h ALA 318 Cb 0.93 -0.09 -0.25 0.00 0.00 0.00 0.00 17.79 18.38 1dm3 h ALA 318 CO 1.05 0.27 -0.36 -0.06 0.00 0.00 0.00 179.25 180.14 1dm3 s PHE 319 N -4.54 -0.34 0.21 0.00 0.08 -1.26 -1.39 117.98 110.74 1dm3 s PHE 319 Ca -0.13 0.83 -0.09 0.00 0.12 0.00 0.00 56.93 57.67 1dm3 s PHE 319 Cb 0.08 0.12 0.30 0.00 -0.57 0.00 0.00 43.02 42.94 1dm3 s PHE 319 CO 0.79 -0.17 1.76 0.00 -0.10 0.00 0.00 175.22 177.50 1dm3 h ALA 320 N 5.78 0.87 -0.77 5.36 0.00 -1.44 0.46 119.26 129.51 1dm3 h ALA 320 Ca -0.27 0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1dm3 h ALA 320 Cb 1.19 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1dm3 h ALA 320 CO 0.32 -0.12 0.46 0.00 0.00 0.00 0.00 179.25 179.91 1dm3 h ALA 321 N 1.41 1.06 -0.03 0.00 0.00 -1.90 0.29 119.26 120.09 1dm3 h ALA 321 Ca 0.32 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.01 1dm3 h ALA 321 Cb 0.36 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1dm3 h ALA 321 CO -0.28 0.16 -0.91 -0.56 0.00 0.00 0.00 179.25 177.66 1dm3 h GLN 322 N 0.83 0.50 -0.59 0.00 -0.00 -1.54 -2.51 115.11 111.80 1dm3 h GLN 322 Ca 0.35 -0.50 -0.05 0.00 -0.00 0.00 0.00 58.65 58.45 1dm3 h GLN 322 Cb 0.20 0.13 -0.02 0.00 -0.00 0.00 0.00 27.48 27.79 1dm3 h GLN 322 CO -0.19 1.14 0.19 0.00 -0.00 0.00 0.00 178.83 179.97 1dm3 h ALA 323 N 0.69 0.77 -0.02 0.06 0.00 0.06 -1.50 119.26 119.31 1dm3 h ALA 323 Ca -0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1dm3 h ALA 323 Cb 1.54 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1dm3 h ALA 323 CO 0.16 0.43 0.01 0.00 0.00 0.00 0.00 179.25 179.85 1dm3 h ALA 325 N 0.86 -0.19 -0.13 0.00 0.00 -1.27 0.24 119.26 118.76 1dm3 h ALA 325 Ca 0.01 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1dm3 h ALA 325 Cb 0.15 0.72 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1dm3 h ALA 325 CO -0.00 -0.73 -0.27 0.28 0.00 0.00 0.00 179.25 178.53 1dm3 h VAL 326 N -0.25 0.37 -0.41 0.00 2.07 -1.15 0.38 116.25 117.25 1dm3 h VAL 326 Ca 0.17 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 1dm3 h VAL 326 Cb 0.54 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1dm3 h VAL 326 CO -0.55 0.00 0.17 0.78 0.02 0.00 0.00 177.57 177.99 1dm3 h ASN 327 N -0.34 0.55 -0.20 0.57 2.35 -0.93 0.25 115.58 117.84 1dm3 h ASN 327 Ca 0.10 -0.16 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1dm3 h ASN 327 Cb 0.49 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 1dm3 h ASN 327 CO -0.32 0.56 0.02 0.50 -1.65 0.00 0.00 177.43 176.53 1dm3 h LYS 328 N 0.51 0.09 0.64 0.81 3.64 -0.18 0.43 116.57 122.50 1dm3 h LYS 328 Ca 0.14 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1dm3 h LYS 328 Cb 0.17 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1dm3 h LYS 328 CO -0.01 0.06 -0.31 0.22 -2.27 0.00 0.00 179.45 177.14 1dm3 h ASP 329 N 0.09 -0.73 -0.48 4.20 1.82 0.37 -3.12 116.42 118.57 1dm3 h ASP 329 Ca 0.09 0.03 0.04 0.00 -0.39 0.00 0.00 57.03 56.79 1dm3 h ASP 329 Cb 0.10 0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.27 1dm3 h ASP 329 CO -0.14 -0.42 0.32 -0.07 -1.61 0.00 0.00 179.24 177.32 1dm3 h LEU 330 N -1.06 0.44 0.00 2.28 3.38 -0.50 -3.46 115.31 116.38 1dm3 h LEU 330 Ca -0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1dm3 h LEU 330 Cb 0.66 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1dm3 h LEU 330 CO 0.14 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.58 1dm3 n GLY 331 N -1.49 0.55 3.71 0.83 0.00 0.15 -5.01 105.19 103.93 1dm3 n GLY 331 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1dm3 n GLY 331 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1dm3 s TRP 332 N -2.34 1.94 -0.22 1.61 -2.14 -1.26 -4.85 118.94 111.68 1dm3 s TRP 332 Ca 0.00 1.67 -0.29 0.00 2.66 0.00 0.00 56.10 60.14 1dm3 s TRP 332 Cb 0.00 -3.39 -0.04 0.00 -3.10 0.00 0.00 33.47 26.94 1dm3 s TRP 332 CO 0.00 -2.61 1.96 0.34 -2.66 0.00 0.00 176.95 173.97 1dm3 s ASP 333 N -2.40 5.87 0.34 -2.66 -1.08 -1.26 -4.87 116.67 110.60 1dm3 s ASP 333 Ca 0.70 1.76 0.13 0.00 -0.52 0.00 0.00 52.55 54.62 1dm3 s ASP 333 Cb -0.26 -2.52 1.05 0.00 -1.46 0.00 0.00 42.92 39.73 1dm3 s ASP 333 CO 0.51 -1.65 1.65 -0.65 0.52 0.00 0.00 175.17 175.55 1dm3 h PRO 334 N 13.12 0.26 0.00 4.34 0.11 -1.95 0.12 132.00 148.01 1dm3 h PRO 334 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1dm3 h PRO 334 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1dm3 h PRO 334 CO 0.99 0.18 0.10 0.66 -0.21 0.00 0.00 178.00 179.71 1dm3 h SER 335 N 0.27 0.00 -0.48 -2.05 4.64 -2.01 -1.59 113.55 112.33 1dm3 h SER 335 Ca 0.72 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 1dm3 h SER 335 Cb 1.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1dm3 h SER 335 CO -0.64 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 177.62 1dm3 n ILE 336 N -2.85 1.33 -4.07 0.95 -5.35 0.43 -4.80 119.36 105.00 1dm3 n ILE 336 Ca -0.02 -1.15 -0.35 0.00 -0.27 0.00 0.00 62.75 60.96 1dm3 n ILE 336 Cb 0.15 0.33 -0.14 0.00 -1.74 0.00 0.00 39.64 38.25 1dm3 n ILE 336 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1dm3 s VAL 337 N -1.40 3.45 -1.33 7.28 1.01 -0.60 0.48 120.40 129.29 1dm3 s VAL 337 Ca 0.37 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1dm3 s VAL 337 Cb 0.22 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 1dm3 s VAL 337 CO 0.21 0.44 0.60 0.59 0.00 0.00 0.00 175.10 176.93 1dm3 n ASN 338 N 4.48 -1.26 -0.35 3.32 4.13 0.01 -4.86 115.26 120.73 1dm3 n ASN 338 Ca -0.18 -0.91 0.11 0.00 1.68 0.00 0.00 54.58 55.28 1dm3 n ASN 338 Cb 0.51 -3.62 0.30 0.00 -1.54 0.00 0.00 39.78 35.43 1dm3 n ASN 338 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1dm3 h VAL 339 N -1.84 0.76 -0.61 2.41 2.07 -1.83 -0.40 116.25 116.80 1dm3 h VAL 339 Ca -0.62 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 1dm3 h VAL 339 Cb 1.36 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1dm3 h VAL 339 CO 0.58 0.15 0.06 0.59 0.02 0.00 0.00 177.57 178.96 1dm3 n ASN 340 N -4.74 5.59 0.00 0.57 3.02 -1.26 -4.84 115.26 113.60 1dm3 n ASN 340 Ca 0.22 -3.00 0.00 0.00 -0.03 0.00 0.00 54.58 51.77 1dm3 n ASN 340 Cb 0.52 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 1dm3 n ASN 340 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dm3 n GLY 341 N 0.46 1.80 0.67 7.41 0.00 -0.16 -3.19 105.19 112.18 1dm3 n GLY 341 Ca 0.31 -1.89 -0.05 0.00 0.00 0.00 0.00 46.02 44.39 1dm3 n GLY 341 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm3 n GLY 342 N 1.74 3.96 0.41 -0.02 0.00 -1.26 -4.80 105.19 105.22 1dm3 n GLY 342 Ca 0.00 -1.99 0.23 0.00 0.00 0.00 0.00 46.02 44.25 1dm3 n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm3 h ALA 343 N 1.12 2.36 -0.78 4.61 0.00 -1.78 0.30 119.26 125.09 1dm3 h ALA 343 Ca -0.06 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1dm3 h ALA 343 Cb 0.24 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1dm3 h ALA 343 CO 0.10 -0.82 0.52 0.82 0.00 0.00 0.00 179.25 179.87 1dm3 h ILE 344 N 0.00 1.20 0.00 0.00 2.04 -1.86 0.45 117.51 119.35 1dm3 h ILE 344 Ca 0.27 -0.37 -0.23 0.00 1.00 0.00 0.00 64.86 65.52 1dm3 h ILE 344 Cb 1.32 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1dm3 h ILE 344 CO -0.00 0.20 -1.38 0.00 0.00 0.00 0.00 178.15 176.96 1dm3 n ALA 345 N -2.42 0.81 0.14 1.87 0.00 0.88 -4.55 120.51 117.25 1dm3 n ALA 345 Ca 0.09 -0.60 -0.01 0.00 0.00 0.00 0.00 53.44 52.92 1dm3 n ALA 345 Cb 0.03 -0.33 0.21 0.00 0.00 0.00 0.00 19.45 19.36 1dm3 n ALA 345 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1dm3 h ILE 346 N -1.00 1.39 0.00 0.00 2.04 -1.03 -2.67 117.51 116.24 1dm3 h ILE 346 Ca -0.35 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 63.62 1dm3 h ILE 346 Cb 1.23 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 1dm3 h ILE 346 CO -0.21 0.54 0.00 0.61 0.00 0.00 0.00 178.15 179.09 1dm3 n GLY 347 N 0.06 1.58 2.49 5.37 0.00 0.16 -4.67 105.19 110.19 1dm3 n GLY 347 Ca -0.01 -2.13 -0.20 0.00 0.00 0.00 0.00 46.02 43.67 1dm3 n GLY 347 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1dm3 n HIS 348 N 0.10 -1.76 -2.19 1.61 -0.00 -1.26 -4.48 115.22 107.26 1dm3 n HIS 348 Ca 0.00 -2.76 -0.37 0.00 0.46 0.00 0.00 57.72 55.05 1dm3 n HIS 348 Cb 0.00 0.60 -0.03 0.00 -0.12 0.00 0.00 29.99 30.44 1dm3 n HIS 348 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1dm3 s PRO 349 N 0.26 2.80 0.00 1.57 0.04 -1.26 -4.19 135.00 134.23 1dm3 s PRO 349 Ca 0.32 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1dm3 s PRO 349 Cb 0.03 -4.55 0.00 0.00 0.04 0.00 0.00 34.50 30.02 1dm3 s PRO 349 CO -0.16 -2.70 0.20 -0.89 0.04 0.00 0.00 177.00 173.49 1dm3 n ILE 350 N 7.15 0.00 0.29 0.56 5.41 -1.26 -0.32 119.36 131.19 1dm3 n ILE 350 Ca 0.22 0.35 0.18 0.00 1.00 0.00 0.00 62.75 64.50 1dm3 n ILE 350 Cb 0.50 -0.51 0.87 0.00 -0.71 0.00 0.00 39.64 39.80 1dm3 n ILE 350 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1dm3 h GLY 351 N 0.00 0.00 0.85 7.39 0.00 -1.80 -2.54 103.07 106.97 1dm3 h GLY 351 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1dm3 h GLY 351 CO 0.00 0.00 -1.20 0.00 0.00 0.00 0.00 176.54 175.34 1dm3 n ALA 352 N -2.15 2.48 -0.30 3.60 0.00 0.05 -1.10 120.51 123.08 1dm3 n ALA 352 Ca -0.01 -0.32 0.24 0.00 0.00 0.00 0.00 53.44 53.35 1dm3 n ALA 352 Cb 0.21 -1.03 0.54 0.00 0.00 0.00 0.00 19.45 19.16 1dm3 n ALA 352 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1dm3 h SER 353 N 0.00 0.38 0.40 0.00 0.87 -0.21 -0.68 113.55 114.31 1dm3 h SER 353 Ca -0.02 0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.44 1dm3 h SER 353 Cb 1.08 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1dm3 h SER 353 CO 0.01 0.09 -0.67 1.23 -0.53 0.00 0.00 176.83 176.95 1dm3 h GLY 354 N 0.34 0.26 2.00 5.77 0.00 -1.81 -1.87 103.07 107.76 1dm3 h GLY 354 Ca 0.56 -0.35 -0.16 0.00 0.00 0.00 0.00 47.33 47.38 1dm3 h GLY 354 CO -0.24 0.32 -0.75 0.00 0.00 0.00 0.00 176.54 175.87 1dm3 h ALA 355 N 1.13 0.58 -0.03 3.60 0.00 -1.18 -2.36 119.26 121.00 1dm3 h ALA 355 Ca -0.02 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 1dm3 h ALA 355 Cb 1.20 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1dm3 h ALA 355 CO 0.10 0.94 0.01 -0.09 0.00 0.00 0.00 179.25 180.21 1dm3 h ARG 356 N 0.00 0.05 0.00 0.00 1.12 -1.00 -2.47 114.38 112.08 1dm3 h ARG 356 Ca -0.01 -0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 58.77 1dm3 h ARG 356 Cb 1.49 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.43 1dm3 h ARG 356 CO 0.10 0.24 -0.37 -0.84 -3.11 0.00 0.00 179.97 175.99 1dm3 h ILE 357 N -0.15 1.01 -0.49 1.20 3.07 -1.37 -2.08 117.51 118.71 1dm3 h ILE 357 Ca 0.01 -1.39 -0.10 0.00 1.55 0.00 0.00 64.86 64.93 1dm3 h ILE 357 Cb 0.21 1.81 -0.02 0.00 -0.27 0.00 0.00 36.82 38.55 1dm3 h ILE 357 CO -0.00 0.36 -0.11 0.25 -1.05 0.00 0.00 178.15 177.60 1dm3 h LEU 358 N 0.00 0.90 0.09 0.16 6.46 -1.34 -1.15 115.31 120.43 1dm3 h LEU 358 Ca -0.00 -0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.47 1dm3 h LEU 358 Cb 0.78 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1dm3 h LEU 358 CO 0.05 1.02 -0.04 0.78 -0.62 0.00 0.00 178.44 179.62 1dm3 h ASN 359 N 0.81 -0.10 0.02 1.25 2.35 -1.10 0.03 115.58 118.83 1dm3 h ASN 359 Ca 0.13 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1dm3 h ASN 359 Cb 0.63 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 1dm3 h ASN 359 CO 0.04 -0.06 -0.17 0.74 -1.65 0.00 0.00 177.43 176.33 1dm3 h THR 360 N -0.13 0.59 0.35 2.81 2.02 -1.06 -0.84 112.91 116.65 1dm3 h THR 360 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1dm3 h THR 360 Cb 0.10 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1dm3 h THR 360 CO 0.02 0.00 -0.48 0.25 0.37 0.00 0.00 175.52 175.68 1dm3 h LEU 361 N -0.29 -1.35 -0.41 2.58 6.46 -1.16 -1.66 115.31 119.49 1dm3 h LEU 361 Ca 0.05 0.12 0.07 0.00 -0.12 0.00 0.00 57.88 58.01 1dm3 h LEU 361 Cb 0.35 0.47 -0.07 0.00 -0.73 0.00 0.00 40.66 40.68 1dm3 h LEU 361 CO -0.15 -0.60 0.00 -0.07 -0.62 0.00 0.00 178.44 177.00 1dm3 h LEU 362 N -0.87 -0.16 -0.84 2.25 3.38 -0.79 0.12 115.31 118.40 1dm3 h LEU 362 Ca -0.03 0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 1dm3 h LEU 362 Cb 0.80 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1dm3 h LEU 362 CO -0.14 -0.04 -0.57 -0.26 0.09 0.00 0.00 178.44 177.52 1dm3 h PHE 363 N 0.11 0.00 -0.06 1.13 0.04 -1.14 -2.65 116.94 114.37 1dm3 h PHE 363 Ca 0.20 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.76 1dm3 h PHE 363 Cb 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1dm3 h PHE 363 CO -0.27 0.57 -0.82 1.49 -0.60 0.00 0.00 178.31 178.68 1dm3 h GLU 364 N 0.00 0.47 -0.44 1.51 4.57 -0.48 -1.79 114.58 118.42 1dm3 h GLU 364 Ca -0.01 -0.43 -0.01 0.00 -1.18 0.00 0.00 59.36 57.73 1dm3 h GLU 364 Cb 1.02 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 1dm3 h GLU 364 CO 0.07 1.07 0.22 0.52 -1.18 0.00 0.00 179.01 179.71 1dm3 h MET 365 N 0.30 0.63 -0.13 1.92 2.86 -0.74 -0.64 114.93 119.12 1dm3 h MET 365 Ca -0.05 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1dm3 h MET 365 Cb 1.42 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.96 1dm3 h MET 365 CO 0.15 0.53 0.06 -0.22 1.06 0.00 0.00 176.91 178.48 1dm3 h LYS 366 N 0.57 0.20 -0.20 1.72 3.64 -1.43 0.32 116.57 121.38 1dm3 h LYS 366 Ca 0.15 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1dm3 h LYS 366 Cb 0.10 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1dm3 h LYS 366 CO -0.02 0.28 -0.10 0.07 -2.27 0.00 0.00 179.45 177.41 1dm3 h ARG 367 N 0.07 0.31 -0.00 1.90 0.11 -1.03 -2.65 114.38 113.09 1dm3 h ARG 367 Ca 0.04 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1dm3 h ARG 367 Cb 0.16 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.19 1dm3 h ARG 367 CO -0.00 0.43 -0.78 2.89 0.10 0.00 0.00 179.97 182.60 1dm3 n ARG 368 N -4.27 0.38 -1.26 0.08 1.85 -0.27 -4.97 116.66 108.20 1dm3 n ARG 368 Ca -0.00 -0.31 -0.01 0.00 -1.00 0.00 0.00 57.85 56.53 1dm3 n ARG 368 Cb 0.27 -1.49 -0.00 0.00 -1.05 0.00 0.00 32.46 30.18 1dm3 n ARG 368 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1dm3 n GLY 369 N 1.47 0.43 3.75 2.89 0.00 0.93 -5.02 105.19 109.64 1dm3 n GLY 369 Ca 0.06 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 1dm3 n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm3 s ALA 370 N -2.04 2.70 -0.25 4.61 0.00 -0.17 -4.98 121.76 121.64 1dm3 s ALA 370 Ca 0.00 1.18 -0.06 0.00 0.00 0.00 0.00 51.96 53.08 1dm3 s ALA 370 Cb 0.00 -3.51 -0.16 0.00 0.00 0.00 0.00 23.12 19.45 1dm3 s ALA 370 CO 0.00 -1.25 -0.21 0.54 0.00 0.00 0.00 175.76 174.84 1dm3 n ARG 371 N -1.23 0.63 -4.61 0.00 3.00 -1.26 -4.62 116.66 108.57 1dm3 n ARG 371 Ca 0.12 0.22 -0.33 0.00 -0.01 0.00 0.00 57.85 57.85 1dm3 n ARG 371 Cb 0.47 -1.54 -0.14 0.00 0.00 0.00 0.00 32.46 31.25 1dm3 n ARG 371 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1dm3 s LYS 372 N -2.51 3.37 0.17 5.56 1.02 -1.26 -0.04 119.74 126.05 1dm3 s LYS 372 Ca -0.35 -0.68 0.03 0.00 0.02 0.00 0.00 55.97 54.99 1dm3 s LYS 372 Cb 0.11 -2.69 -0.05 0.00 -0.52 0.00 0.00 37.83 34.68 1dm3 s LYS 372 CO 0.57 0.14 -0.05 0.20 -0.92 0.00 0.00 175.35 175.29 1dm3 s GLY 373 N 0.56 1.21 -0.07 -3.33 0.00 0.11 -0.53 107.32 105.26 1dm3 s GLY 373 Ca -0.08 -1.58 -0.05 0.00 0.00 0.00 0.00 44.72 43.02 1dm3 s GLY 373 CO 0.03 -1.58 0.17 -2.27 0.00 0.00 0.00 173.10 169.45 1dm3 s LEU 374 N -3.19 1.12 -0.09 0.66 0.20 -0.93 -0.99 118.68 115.46 1dm3 s LEU 374 Ca 0.21 0.34 0.04 0.00 0.69 0.00 0.00 54.13 55.41 1dm3 s LEU 374 Cb 0.05 0.53 -0.01 0.00 -0.43 0.00 0.00 46.19 46.33 1dm3 s LEU 374 CO 0.03 -0.09 -0.21 0.00 -0.29 0.00 0.00 176.35 175.79 1dm3 s ALA 375 N 0.46 2.32 0.04 5.97 0.00 -0.69 -0.73 121.76 129.13 1dm3 s ALA 375 Ca -0.03 -0.98 -0.08 0.00 0.00 0.00 0.00 51.96 50.87 1dm3 s ALA 375 Cb -0.05 -0.87 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 1dm3 s ALA 375 CO -0.02 0.34 0.15 -0.08 0.00 0.00 0.00 175.76 176.16 1dm3 s THR 376 N 0.09 0.12 -0.04 0.00 -1.32 0.33 -1.01 115.64 113.80 1dm3 s THR 376 Ca -0.10 -0.99 -0.08 0.00 -1.21 0.00 0.00 61.69 59.31 1dm3 s THR 376 Cb -0.16 -0.93 0.01 0.00 -1.51 0.00 0.00 72.50 69.92 1dm3 s THR 376 CO 0.06 -0.55 0.20 -0.76 -2.21 0.00 0.00 174.62 171.36 1dm3 s LEU 377 N -2.14 1.26 0.61 9.08 1.02 -0.55 -1.48 118.68 126.48 1dm3 s LEU 377 Ca -0.04 0.17 -0.13 0.00 0.02 0.00 0.00 54.13 54.15 1dm3 s LEU 377 Cb -0.01 0.79 -0.04 0.00 0.02 0.00 0.00 46.19 46.95 1dm3 s LEU 377 CO -0.05 -0.22 1.03 0.00 0.02 0.00 0.00 176.35 177.13 1dm3 s ILE 379 N -2.91 0.67 0.41 0.00 1.01 0.16 -4.49 121.20 116.05 1dm3 s ILE 379 Ca 0.58 -0.25 -0.26 0.00 0.00 0.00 0.00 60.65 60.71 1dm3 s ILE 379 Cb -0.12 -0.64 -0.09 0.00 0.01 0.00 0.00 42.46 41.62 1dm3 s ILE 379 CO 0.46 0.24 1.40 -0.83 0.00 0.00 0.00 174.94 176.21 1dm3 s GLY 380 N 0.53 2.93 0.00 6.18 0.00 -1.26 -1.81 107.32 113.90 1dm3 s GLY 380 Ca -0.08 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.06 1dm3 s GLY 380 CO 0.01 2.05 0.00 0.61 0.00 0.00 0.00 173.10 175.77 1dm3 n GLY 381 N 0.59 1.63 0.26 0.20 0.00 -1.26 -4.61 105.19 102.00 1dm3 n GLY 381 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1dm3 n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm3 n GLY 382 N -1.73 0.89 3.24 -0.02 0.00 -0.77 -4.04 105.19 102.77 1dm3 n GLY 382 Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 1dm3 n GLY 382 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dm3 s MET 383 N -2.17 1.03 0.11 1.61 1.00 -0.75 0.96 119.30 121.09 1dm3 s MET 383 Ca 0.00 -1.31 0.02 0.00 0.00 0.00 0.00 55.69 54.40 1dm3 s MET 383 Cb 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 34.83 35.09 1dm3 s MET 383 CO 0.00 -0.34 -0.05 0.20 0.00 0.00 0.00 175.02 174.83 1dm3 s GLY 384 N -3.01 0.84 -0.05 -0.03 0.00 0.79 0.36 107.32 106.22 1dm3 s GLY 384 Ca 0.20 -1.39 -0.11 0.00 0.00 0.00 0.00 44.72 43.43 1dm3 s GLY 384 CO 0.01 -1.46 0.25 0.54 0.00 0.00 0.00 173.10 172.43 1dm3 s VAL 385 N -3.65 0.04 0.04 1.40 0.11 -1.00 -2.14 120.40 115.20 1dm3 s VAL 385 Ca 0.14 -0.32 -0.14 0.00 -2.93 0.00 0.00 61.98 58.73 1dm3 s VAL 385 Cb 0.06 -0.47 0.02 0.00 -1.53 0.00 0.00 36.38 34.46 1dm3 s VAL 385 CO -0.03 -0.18 0.30 0.00 -3.33 0.00 0.00 175.10 171.86 1dm3 s ALA 386 N -0.70 -0.68 -0.06 1.54 0.00 0.15 -1.48 121.76 120.53 1dm3 s ALA 386 Ca -0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 1dm3 s ALA 386 Cb -0.04 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.42 1dm3 s ALA 386 CO 0.02 -0.41 0.14 1.41 0.00 0.00 0.00 175.76 176.92 1dm3 s MET 387 N -2.56 0.13 -0.13 0.00 1.75 -0.18 -0.50 119.30 117.81 1dm3 s MET 387 Ca -0.05 0.28 -0.04 0.00 -1.25 0.00 0.00 55.69 54.63 1dm3 s MET 387 Cb -0.01 -0.03 -0.03 0.00 2.84 0.00 0.00 34.83 37.59 1dm3 s MET 387 CO -0.03 -0.08 0.01 0.00 -0.65 0.00 0.00 175.02 174.26 1dm3 s ILE 389 N -0.16 1.50 -0.09 0.00 -1.09 -0.16 -0.99 121.20 120.20 1dm3 s ILE 389 Ca 0.05 -0.77 0.04 0.00 -2.23 0.00 0.00 60.65 57.74 1dm3 s ILE 389 Cb -0.12 -1.28 -0.00 0.00 -1.58 0.00 0.00 42.46 39.48 1dm3 s ILE 389 CO 0.02 0.43 -0.24 -0.70 -1.23 0.00 0.00 174.94 173.22 1dm3 s GLU 390 N -0.09 2.99 0.73 2.79 2.12 -0.51 0.05 118.70 126.77 1dm3 s GLU 390 Ca -0.01 -0.88 -0.11 0.00 0.36 0.00 0.00 54.97 54.33 1dm3 s GLU 390 Cb -0.11 -2.29 0.03 0.00 0.26 0.00 0.00 34.13 32.02 1dm3 s GLU 390 CO 0.02 0.21 1.08 -1.54 -0.54 0.00 0.00 175.26 174.48 1dm3 s SER 391 N 0.26 4.96 0.00 -1.70 1.04 0.95 -0.62 113.70 118.59 1dm3 s SER 391 Ca -0.16 1.72 0.10 0.00 0.48 0.00 0.00 55.95 58.09 1dm3 s SER 391 Cb -0.17 -2.51 0.08 0.00 0.10 0.00 0.00 66.02 63.52 1dm3 s SER 391 CO 0.08 -1.73 0.83 0.18 0.98 0.00 0.00 173.24 173.59