#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ch1 s PHE 3 N 0.00 2.30 0.07 5.58 0.40 -1.26 -5.09 117.98 119.99 2ch1 s PHE 3 Ca 0.00 -0.43 -0.35 0.00 -0.60 0.00 0.00 56.93 55.55 2ch1 s PHE 3 Cb 0.00 -1.47 -0.14 0.00 0.51 0.00 0.00 43.02 41.92 2ch1 s PHE 3 CO 0.00 -0.01 1.57 -2.37 0.70 0.00 0.00 175.22 175.11 2ch1 n THR 4 N 2.33 0.11 -1.27 0.64 5.66 -1.26 -4.86 114.28 115.64 2ch1 n THR 4 Ca -0.16 -0.02 -0.35 0.00 -3.05 0.00 0.00 64.05 60.47 2ch1 n THR 4 Cb 0.51 -1.36 0.09 0.00 -1.55 0.00 0.00 70.33 68.03 2ch1 n THR 4 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2ch1 n PRO 5 N 3.81 0.38 -1.85 1.09 -0.04 -1.26 -4.99 135.00 132.15 2ch1 n PRO 5 Ca 0.19 0.19 -0.35 0.00 -0.04 0.00 0.00 63.50 63.49 2ch1 n PRO 5 Cb 0.25 -2.20 0.05 0.00 -0.04 0.00 0.00 33.50 31.55 2ch1 n PRO 5 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2ch1 s PRO 6 N -3.44 2.79 0.26 0.54 0.04 -1.26 -5.00 135.00 128.93 2ch1 s PRO 6 Ca 0.72 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 2ch1 s PRO 6 Cb -0.33 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 2ch1 s PRO 6 CO 0.52 -1.31 1.01 -1.25 0.04 0.00 0.00 177.00 176.02 2ch1 s PRO 7 N -3.67 4.74 0.36 0.56 0.04 -1.26 -4.96 135.00 130.81 2ch1 s PRO 7 Ca 0.73 1.62 0.09 0.00 0.04 0.00 0.00 61.00 63.49 2ch1 s PRO 7 Cb -0.26 -3.20 0.70 0.00 0.04 0.00 0.00 34.50 31.77 2ch1 s PRO 7 CO 0.37 0.36 1.85 0.00 0.04 0.00 0.00 177.00 179.62 2ch1 h ALA 8 N 3.92 1.39 -0.01 8.56 0.00 -2.03 -3.03 119.26 128.07 2ch1 h ALA 8 Ca -0.46 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2ch1 h ALA 8 Cb 1.21 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2ch1 h ALA 8 CO 0.67 0.42 0.15 0.66 0.00 0.00 0.00 179.25 181.16 2ch1 h SER 9 N 0.18 0.00 -0.12 0.00 4.64 -1.99 0.14 113.55 116.41 2ch1 h SER 9 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2ch1 h SER 9 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2ch1 h SER 9 CO 0.04 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.18 2ch1 n LEU 10 N -3.06 1.67 0.07 5.97 4.77 -1.14 -4.22 117.00 121.06 2ch1 n LEU 10 Ca -0.02 -0.65 -0.12 0.00 -0.03 0.00 0.00 56.01 55.19 2ch1 n LEU 10 Cb 0.22 -0.07 -0.13 0.00 -2.33 0.00 0.00 43.42 41.11 2ch1 n LEU 10 CO 0.18 0.33 -0.04 0.03 -1.33 0.00 0.00 177.39 176.55 2ch1 h ARG 11 N 2.36 0.13 -6.98 3.23 3.08 -0.89 -3.45 114.38 111.85 2ch1 h ARG 11 Ca 0.00 -0.22 -0.49 0.00 0.07 0.00 0.00 59.98 59.34 2ch1 h ARG 11 Cb 0.51 0.08 0.03 0.00 0.08 0.00 0.00 29.97 30.67 2ch1 h ARG 11 CO 0.00 1.05 0.43 -0.80 -1.07 0.00 0.00 179.97 179.58 2ch1 s ASN 12 N -6.85 6.58 0.68 7.04 0.01 -1.26 -5.04 114.94 116.09 2ch1 s ASN 12 Ca -0.03 2.10 -0.17 0.00 -0.71 0.00 0.00 52.86 54.05 2ch1 s ASN 12 Cb 0.08 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.16 2ch1 s ASN 12 CO 0.85 -0.62 1.23 -2.65 -1.51 0.00 0.00 177.10 174.40 2ch1 n PRO 13 N -0.24 0.91 -2.54 -0.60 -0.02 -1.26 -4.98 135.00 126.26 2ch1 n PRO 13 Ca 0.06 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 2ch1 n PRO 13 Cb 0.49 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 2ch1 n PRO 13 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2ch1 s LEU 14 N -4.28 4.24 -0.18 2.45 2.96 -1.26 -5.02 118.68 117.59 2ch1 s LEU 14 Ca 0.80 1.68 -0.01 0.00 -0.22 0.00 0.00 54.13 56.38 2ch1 s LEU 14 Cb -0.37 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 42.82 2ch1 s LEU 14 CO 0.43 -0.57 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.22 2ch1 s ILE 15 N 2.39 1.09 -0.18 6.68 1.01 -1.26 -5.10 121.20 125.83 2ch1 s ILE 15 Ca 0.52 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.46 2ch1 s ILE 15 Cb -0.22 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 40.94 2ch1 s ILE 15 CO 0.18 0.05 -0.17 -0.63 0.00 0.00 0.00 174.94 174.37 2ch1 s ILE 16 N 1.63 2.39 0.72 2.92 -1.09 -1.26 -5.12 121.20 121.39 2ch1 s ILE 16 Ca -0.01 -0.84 -0.12 0.00 -2.23 0.00 0.00 60.65 57.46 2ch1 s ILE 16 Cb -0.16 -2.02 0.03 0.00 -1.58 0.00 0.00 42.46 38.73 2ch1 s ILE 16 CO -0.07 0.52 1.09 -2.16 -1.23 0.00 0.00 174.94 173.08 2ch1 s PRO 17 N 1.20 2.60 0.35 2.79 0.04 -1.26 -5.04 135.00 135.68 2ch1 s PRO 17 Ca 0.02 1.18 -0.25 0.00 0.04 0.00 0.00 61.00 61.99 2ch1 s PRO 17 Cb -0.14 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.37 2ch1 s PRO 17 CO -0.08 -1.38 1.00 -1.21 0.04 0.00 0.00 177.00 175.37 2ch1 s GLU 18 N -4.67 4.43 0.02 4.56 2.02 -1.26 -5.07 118.70 118.74 2ch1 s GLU 18 Ca 0.62 1.43 0.00 0.00 0.02 0.00 0.00 54.97 57.04 2ch1 s GLU 18 Cb -0.17 -2.73 -0.02 0.00 0.10 0.00 0.00 34.13 31.31 2ch1 s GLU 18 CO 0.51 0.11 -0.03 0.15 0.02 0.00 0.00 175.26 176.02 2ch1 s LYS 19 N -2.19 0.32 -0.61 1.61 1.02 -1.26 -4.95 119.74 113.67 2ch1 s LYS 19 Ca 0.53 -0.61 -0.20 0.00 0.02 0.00 0.00 55.97 55.70 2ch1 s LYS 19 Cb -0.21 0.10 0.09 0.00 -0.52 0.00 0.00 37.83 37.29 2ch1 s LYS 19 CO 0.26 -0.05 0.81 0.42 -0.92 0.00 0.00 175.35 175.88 2ch1 s ILE 20 N -1.46 4.61 -1.22 2.17 1.01 0.11 -4.96 121.20 121.46 2ch1 s ILE 20 Ca -0.16 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 2ch1 s ILE 20 Cb -0.10 -4.56 0.17 0.00 0.01 0.00 0.00 42.46 37.98 2ch1 s ILE 20 CO -0.01 -1.25 1.47 0.23 0.00 0.00 0.00 174.94 175.38 2ch1 n MET 21 N 6.90 3.37 -0.96 2.79 2.81 -1.26 -0.99 117.12 129.79 2ch1 n MET 21 Ca -0.07 -3.82 -0.09 0.00 -1.81 0.00 0.00 57.70 51.91 2ch1 n MET 21 Cb 0.44 -3.05 0.18 0.00 -0.71 0.00 0.00 33.22 30.08 2ch1 n MET 21 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2ch1 n MET 22 N 5.66 2.01 -1.55 0.03 2.81 -1.25 -4.17 117.12 120.65 2ch1 n MET 22 Ca 0.37 -3.24 -0.16 0.00 -1.81 0.00 0.00 57.70 52.86 2ch1 n MET 22 Cb 0.42 -1.90 0.10 0.00 -0.71 0.00 0.00 33.22 31.13 2ch1 n MET 22 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ch1 n GLY 23 N -1.10 -0.16 0.82 3.03 0.00 -1.25 -1.21 105.19 105.32 2ch1 n GLY 23 Ca 0.38 -1.87 -0.00 0.00 0.00 0.00 0.00 46.02 44.52 2ch1 n GLY 23 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ch1 n PRO 24 N -2.39 1.26 0.00 1.61 -0.04 -1.26 -2.99 135.00 131.19 2ch1 n PRO 24 Ca 0.10 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2ch1 n PRO 24 Cb 0.36 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 2ch1 n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ch1 n GLY 25 N 0.17 4.47 3.82 0.55 0.00 -1.26 -4.94 105.19 108.00 2ch1 n GLY 25 Ca 0.04 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 2ch1 n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ch1 s PRO 26 N -4.96 3.56 0.52 1.61 0.04 -1.26 -5.10 135.00 129.41 2ch1 s PRO 26 Ca 0.00 1.07 -0.02 0.00 0.04 0.00 0.00 61.00 62.09 2ch1 s PRO 26 Cb 0.00 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.47 2ch1 s PRO 26 CO 0.00 -0.60 0.78 -1.54 0.04 0.00 0.00 177.00 175.68 2ch1 s SER 27 N -3.03 5.63 -0.00 6.66 1.04 0.84 -4.75 113.70 120.09 2ch1 s SER 27 Ca 0.61 0.40 -0.30 0.00 0.48 0.00 0.00 55.95 57.13 2ch1 s SER 27 Cb -0.13 -1.48 -0.06 0.00 0.10 0.00 0.00 66.02 64.45 2ch1 s SER 27 CO 0.37 -0.92 1.44 0.20 0.98 0.00 0.00 173.24 175.31 2ch1 s ASN 28 N -4.29 6.81 0.32 7.02 0.01 -1.26 -4.87 114.94 118.69 2ch1 s ASN 28 Ca 0.52 2.14 -0.19 0.00 -0.71 0.00 0.00 52.86 54.62 2ch1 s ASN 28 Cb -0.10 -2.56 -0.09 0.00 0.41 0.00 0.00 41.25 38.91 2ch1 s ASN 28 CO 0.41 -0.76 0.81 0.00 -1.51 0.00 0.00 177.10 176.05 2ch1 s SER 30 N -2.00 4.30 0.24 0.00 1.04 -1.26 -4.84 113.70 111.18 2ch1 s SER 30 Ca 0.53 1.98 -0.05 0.00 0.48 0.00 0.00 55.95 58.88 2ch1 s SER 30 Cb -0.13 -2.54 0.44 0.00 0.10 0.00 0.00 66.02 63.89 2ch1 s SER 30 CO 0.18 -2.18 1.71 0.50 0.98 0.00 0.00 173.24 174.44 2ch1 h LYS 31 N -0.96 0.35 -0.59 4.02 3.64 -1.98 -0.69 116.57 120.35 2ch1 h LYS 31 Ca -0.44 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 58.96 2ch1 h LYS 31 Cb 1.25 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.94 2ch1 h LYS 31 CO 0.50 0.23 0.34 -0.09 -2.27 0.00 0.00 179.45 178.16 2ch1 h ARG 32 N 0.37 0.62 -0.33 1.90 2.43 -1.99 0.65 114.38 118.03 2ch1 h ARG 32 Ca 0.40 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.45 2ch1 h ARG 32 Cb 0.64 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2ch1 h ARG 32 CO -0.44 0.41 -0.12 0.28 -1.51 0.00 0.00 179.97 178.60 2ch1 h VAL 33 N 0.64 1.28 -0.34 0.20 2.07 -1.76 -2.70 116.25 115.65 2ch1 h VAL 33 Ca 0.25 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 2ch1 h VAL 33 Cb 0.11 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2ch1 h VAL 33 CO -0.14 0.39 0.06 -0.07 0.02 0.00 0.00 177.57 177.83 2ch1 h LEU 34 N 0.43 0.54 -1.03 2.57 3.38 -0.94 -2.98 115.31 117.28 2ch1 h LEU 34 Ca 0.08 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2ch1 h LEU 34 Cb 0.63 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2ch1 h LEU 34 CO 0.04 0.66 -0.00 0.71 0.09 0.00 0.00 178.44 179.93 2ch1 h THR 35 N 0.40 0.01 0.00 0.22 1.35 -0.91 -2.86 112.91 111.13 2ch1 h THR 35 Ca 0.10 -0.67 -0.01 0.00 -0.55 0.00 0.00 66.41 65.29 2ch1 h THR 35 Cb 0.34 1.66 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2ch1 h THR 35 CO 0.01 0.00 -0.04 0.00 -0.25 0.00 0.00 175.52 175.24 2ch1 h ALA 36 N 2.00 1.74 0.00 6.62 0.00 -1.31 -1.09 119.26 127.22 2ch1 h ALA 36 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ch1 h ALA 36 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ch1 h ALA 36 CO 0.00 0.05 0.00 0.52 0.00 0.00 0.00 179.25 179.82 2ch1 h MET 37 N 0.00 0.00 0.00 0.00 2.86 -1.59 -2.92 114.93 113.28 2ch1 h MET 37 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2ch1 h MET 37 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2ch1 h MET 37 CO 0.01 0.00 0.00 2.41 1.06 0.00 0.00 176.91 180.39 2ch1 n THR 38 N -2.67 0.08 -1.47 2.22 -1.04 -0.41 -4.76 114.28 106.24 2ch1 n THR 38 Ca 0.01 0.02 -0.31 0.00 -2.04 0.00 0.00 64.05 61.73 2ch1 n THR 38 Cb 0.22 -0.55 0.06 0.00 -1.82 0.00 0.00 70.33 68.25 2ch1 n THR 38 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2ch1 s ASN 39 N -2.73 5.09 0.06 8.00 0.01 -1.10 -4.96 114.94 119.31 2ch1 s ASN 39 Ca 0.22 1.68 -0.37 0.00 -0.71 0.00 0.00 52.86 53.69 2ch1 s ASN 39 Cb 0.19 -2.50 -0.16 0.00 0.41 0.00 0.00 41.25 39.18 2ch1 s ASN 39 CO 0.46 -1.64 1.42 0.41 -1.51 0.00 0.00 177.10 176.24 2ch1 n THR 40 N -3.26 0.04 -1.86 1.60 -1.04 -1.26 -4.89 114.28 103.61 2ch1 n THR 40 Ca 0.08 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.66 2ch1 n THR 40 Cb 0.53 -0.97 -0.03 0.00 -1.82 0.00 0.00 70.33 68.04 2ch1 n THR 40 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2ch1 s VAL 41 N 0.90 3.19 0.10 12.58 1.01 -1.26 -4.90 120.40 132.01 2ch1 s VAL 41 Ca 0.85 0.39 0.01 0.00 0.00 0.00 0.00 61.98 63.23 2ch1 s VAL 41 Cb -0.93 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2ch1 s VAL 41 CO 0.47 -0.02 0.23 -0.76 0.00 0.00 0.00 175.10 175.02 2ch1 s LEU 42 N 3.70 4.31 0.65 3.92 1.43 -1.26 -5.09 118.68 126.33 2ch1 s LEU 42 Ca 0.79 0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 53.95 2ch1 s LEU 42 Cb -0.39 -2.90 -0.01 0.00 0.03 0.00 0.00 46.19 42.92 2ch1 s LEU 42 CO 0.34 0.12 1.08 -0.55 0.23 0.00 0.00 176.35 177.58 2ch1 s SER 43 N -2.81 5.36 0.52 2.29 0.15 -1.26 -4.90 113.70 113.06 2ch1 s SER 43 Ca 0.34 1.86 0.17 0.00 0.70 0.00 0.00 55.95 59.03 2ch1 s SER 43 Cb -0.12 -2.53 1.30 0.00 -1.71 0.00 0.00 66.02 62.95 2ch1 s SER 43 CO 0.28 -1.46 2.15 0.78 1.20 0.00 0.00 173.24 176.19 2ch1 h ASN 44 N -0.00 0.00 -0.38 5.45 2.35 -1.97 -2.00 115.58 119.03 2ch1 h ASN 44 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2ch1 h ASN 44 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.60 2ch1 h ASN 44 CO 0.55 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.82 2ch1 n PHE 45 N -4.51 0.81 -2.06 1.19 3.01 -1.26 -4.81 117.46 109.84 2ch1 n PHE 45 Ca -0.02 -0.65 -0.41 0.00 1.01 0.00 0.00 57.45 57.38 2ch1 n PHE 45 Cb 0.11 -0.16 -0.02 0.00 -0.01 0.00 0.00 39.48 39.40 2ch1 n PHE 45 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 2ch1 s HIS 46 N -1.76 3.05 0.26 1.38 3.76 -0.75 -4.93 115.29 116.31 2ch1 s HIS 46 Ca 0.35 1.16 -0.04 0.00 -0.15 0.00 0.00 55.06 56.38 2ch1 s HIS 46 Cb 0.23 -3.76 0.36 0.00 1.11 0.00 0.00 32.58 30.52 2ch1 s HIS 46 CO 0.15 -2.35 1.91 0.00 -0.85 0.00 0.00 174.74 173.61 2ch1 h ALA 47 N 4.60 1.36 -0.01 -1.40 0.00 -1.93 -1.90 119.26 119.97 2ch1 h ALA 47 Ca -0.47 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 2ch1 h ALA 47 Cb 1.22 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2ch1 h ALA 47 CO 0.74 0.54 -0.46 0.93 0.00 0.00 0.00 179.25 181.00 2ch1 h GLU 48 N 1.25 0.03 0.15 0.00 3.07 -1.97 -0.69 114.58 116.42 2ch1 h GLU 48 Ca 0.40 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.23 2ch1 h GLU 48 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 2ch1 h GLU 48 CO -0.13 0.49 -0.07 1.25 -1.40 0.00 0.00 179.01 179.15 2ch1 h LEU 49 N 0.03 -0.17 -0.94 1.33 5.85 -1.69 -2.53 115.31 117.19 2ch1 h LEU 49 Ca -0.00 -0.31 0.16 0.00 0.84 0.00 0.00 57.88 58.57 2ch1 h LEU 49 Cb 0.83 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.80 2ch1 h LEU 49 CO 0.06 0.25 0.54 -0.26 -0.34 0.00 0.00 178.44 178.69 2ch1 h PHE 50 N -0.61 0.96 -0.40 1.25 0.05 -1.40 -0.76 116.94 116.03 2ch1 h PHE 50 Ca -0.02 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 2ch1 h PHE 50 Cb 0.47 -0.28 -0.02 0.00 2.00 0.00 0.00 35.95 38.11 2ch1 h PHE 50 CO 0.05 0.25 0.23 -0.09 -0.18 0.00 0.00 178.31 178.58 2ch1 h ARG 51 N 0.75 0.55 -0.56 1.51 2.43 -1.10 -1.36 114.38 116.59 2ch1 h ARG 51 Ca 0.52 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.59 2ch1 h ARG 51 Cb 0.72 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 2ch1 h ARG 51 CO -0.35 0.43 0.19 1.15 -1.51 0.00 0.00 179.97 179.87 2ch1 h THR 52 N 0.52 1.23 -0.92 0.20 2.02 -1.18 -2.07 112.91 112.72 2ch1 h THR 52 Ca 0.14 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.56 2ch1 h THR 52 Cb 0.03 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 2ch1 h THR 52 CO -0.02 0.29 0.61 0.24 0.37 0.00 0.00 175.52 177.01 2ch1 h MET 53 N 0.78 1.19 -0.48 6.66 2.86 -0.95 -0.60 114.93 124.40 2ch1 h MET 53 Ca 0.18 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.66 2ch1 h MET 53 Cb 0.26 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2ch1 h MET 53 CO -0.01 0.79 -0.05 -0.44 1.06 0.00 0.00 176.91 178.26 2ch1 h ASP 54 N 1.23 0.88 -0.89 1.22 3.32 -1.09 -0.84 116.42 120.24 2ch1 h ASP 54 Ca 0.35 -0.33 0.01 0.00 0.02 0.00 0.00 57.03 57.07 2ch1 h ASP 54 Cb -0.10 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.17 2ch1 h ASP 54 CO -0.09 1.00 0.59 -0.33 -1.72 0.00 0.00 179.24 178.69 2ch1 h GLU 55 N 0.73 1.17 -0.11 3.56 5.08 -1.11 -1.40 114.58 122.51 2ch1 h GLU 55 Ca 0.13 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2ch1 h GLU 55 Cb 0.59 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2ch1 h GLU 55 CO 0.04 0.78 0.04 0.28 -1.00 0.00 0.00 179.01 179.14 2ch1 h VAL 56 N 1.21 1.16 -0.66 3.13 2.07 -0.79 0.33 116.25 122.70 2ch1 h VAL 56 Ca 0.33 -0.47 0.09 0.00 0.82 0.00 0.00 66.70 67.46 2ch1 h VAL 56 Cb -0.14 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 2ch1 h VAL 56 CO -0.07 0.14 0.31 0.11 0.02 0.00 0.00 177.57 178.08 2ch1 h LYS 57 N 0.01 0.52 -0.23 1.57 1.57 -0.88 0.34 116.57 119.47 2ch1 h LYS 57 Ca 0.04 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2ch1 h LYS 57 Cb 0.18 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2ch1 h LYS 57 CO -0.00 0.35 0.12 -0.44 -0.57 0.00 0.00 179.45 178.90 2ch1 h ASP 58 N 0.54 0.30 -0.93 0.86 3.32 -1.05 0.38 116.42 119.84 2ch1 h ASP 58 Ca 0.32 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.28 2ch1 h ASP 58 Cb 0.35 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 2ch1 h ASP 58 CO -0.27 0.32 0.61 1.23 -1.72 0.00 0.00 179.24 179.42 2ch1 h GLY 59 N 0.26 1.31 0.91 2.75 0.00 -0.39 -1.79 103.07 106.10 2ch1 h GLY 59 Ca 0.08 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 2ch1 h GLY 59 CO -0.01 0.47 0.08 1.41 0.00 0.00 0.00 176.54 178.49 2ch1 h LEU 60 N 1.25 0.50 -1.38 3.11 4.07 0.07 -1.67 115.31 121.27 2ch1 h LEU 60 Ca 0.34 -0.23 0.05 0.00 0.08 0.00 0.00 57.88 58.12 2ch1 h LEU 60 Cb -0.13 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.43 2ch1 h LEU 60 CO -0.08 0.60 0.46 0.03 -1.08 0.00 0.00 178.44 178.37 2ch1 h ARG 61 N 0.38 0.76 0.09 1.13 3.08 -0.74 0.28 114.38 119.36 2ch1 h ARG 61 Ca 0.10 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 2ch1 h ARG 61 Cb 0.30 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2ch1 h ARG 61 CO 0.00 0.50 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.44 2ch1 h TYR 62 N 0.78 -0.11 -0.01 3.04 3.20 -1.09 -0.28 116.97 122.51 2ch1 h TYR 62 Ca 0.28 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.99 2ch1 h TYR 62 Cb 0.14 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2ch1 h TYR 62 CO -0.00 0.17 -0.74 -0.84 -1.64 0.00 0.00 178.16 175.11 2ch1 h ILE 63 N -0.39 1.50 0.00 1.81 3.07 -1.07 -2.88 117.51 119.56 2ch1 h ILE 63 Ca -0.01 -2.47 0.00 0.00 1.55 0.00 0.00 64.86 63.93 2ch1 h ILE 63 Cb 0.33 2.33 0.00 0.00 -0.27 0.00 0.00 36.82 39.21 2ch1 h ILE 63 CO 0.02 0.71 0.00 -0.26 -1.05 0.00 0.00 178.15 177.57 2ch1 h PHE 64 N 0.04 0.00 -5.86 0.16 0.05 -1.02 -3.45 116.94 106.86 2ch1 h PHE 64 Ca -0.01 0.00 -0.31 0.00 3.82 0.00 0.00 57.97 61.47 2ch1 h PHE 64 Cb 1.31 0.00 0.11 0.00 2.00 0.00 0.00 35.95 39.37 2ch1 h PHE 64 CO 0.01 0.00 -0.78 1.04 -0.18 0.00 0.00 178.31 178.39 2ch1 n GLN 65 N -2.73 -1.60 -4.09 1.51 1.13 -0.21 -1.51 117.38 109.88 2ch1 n GLN 65 Ca 0.04 0.77 -0.07 0.00 -1.94 0.00 0.00 57.00 55.80 2ch1 n GLN 65 Cb 0.45 -4.85 -0.10 0.00 0.11 0.00 0.00 30.24 25.85 2ch1 n GLN 65 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2ch1 s THR 66 N -3.34 0.25 -1.10 5.09 -1.32 -0.62 -2.98 115.64 111.61 2ch1 s THR 66 Ca 0.37 -1.77 0.13 0.00 -1.21 0.00 0.00 61.69 59.21 2ch1 s THR 66 Cb -0.10 -1.46 0.36 0.00 -1.51 0.00 0.00 72.50 69.80 2ch1 s THR 66 CO 0.80 -0.96 1.30 -0.62 -2.21 0.00 0.00 174.62 172.94 2ch1 n GLU 67 N 0.18 2.85 -1.65 7.08 1.02 -1.26 -4.66 120.64 124.20 2ch1 n GLU 67 Ca -0.14 -2.16 -0.46 0.00 -0.02 0.00 0.00 57.16 54.38 2ch1 n GLU 67 Cb 0.61 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 30.67 2ch1 n GLU 67 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2ch1 n ASN 68 N 0.70 2.62 0.10 1.62 5.03 -1.26 -4.88 115.26 119.20 2ch1 n ASN 68 Ca 0.14 1.12 -0.16 0.00 0.87 0.00 0.00 54.58 56.55 2ch1 n ASN 68 Cb 0.46 -1.39 -0.14 0.00 -1.02 0.00 0.00 39.78 37.69 2ch1 n ASN 68 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 2ch1 h ARG 69 N 4.64 0.27 -3.24 3.52 3.08 -1.89 -3.32 114.38 117.44 2ch1 h ARG 69 Ca -0.45 -0.47 -0.69 0.00 0.07 0.00 0.00 59.98 58.45 2ch1 h ARG 69 Cb 1.28 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.50 2ch1 h ARG 69 CO 0.79 1.21 3.55 0.00 -1.07 0.00 0.00 179.97 184.45 2ch1 n ALA 70 N -2.55 6.97 -3.35 0.04 0.00 -1.26 -4.62 120.51 115.74 2ch1 n ALA 70 Ca -0.09 -3.67 -0.33 0.00 0.00 0.00 0.00 53.44 49.34 2ch1 n ALA 70 Cb 1.03 -3.37 -0.15 0.00 0.00 0.00 0.00 19.45 16.96 2ch1 n ALA 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2ch1 s THR 71 N 2.16 2.84 0.00 0.00 2.01 -1.25 -1.70 115.64 119.70 2ch1 s THR 71 Ca 0.62 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.91 2ch1 s THR 71 Cb 0.17 -2.21 0.00 0.00 0.01 0.00 0.00 72.50 70.47 2ch1 s THR 71 CO -0.07 0.51 0.00 1.15 -0.69 0.00 0.00 174.62 175.52 2ch1 n MET 72 N 3.98 0.00 -4.54 4.92 0.00 -0.52 -4.85 117.12 116.10 2ch1 n MET 72 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.29 2ch1 n MET 72 Cb 0.52 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.60 2ch1 n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ch1 s VAL 74 N -0.61 4.69 -1.34 0.00 1.01 0.33 -4.91 120.40 119.56 2ch1 s VAL 74 Ca 0.04 1.51 -0.13 0.00 0.00 0.00 0.00 61.98 63.40 2ch1 s VAL 74 Cb -0.07 -4.06 0.10 0.00 0.00 0.00 0.00 36.38 32.36 2ch1 s VAL 74 CO 0.00 0.43 1.93 -1.20 0.00 0.00 0.00 175.10 176.27 2ch1 n SER 75 N 2.40 4.62 -3.65 3.32 7.64 -1.26 -0.75 113.62 125.93 2ch1 n SER 75 Ca -0.05 -2.96 0.00 0.00 1.01 0.00 0.00 58.87 56.88 2ch1 n SER 75 Cb 0.50 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 2ch1 n SER 75 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ch1 s GLY 76 N 2.61 -0.22 1.04 0.23 0.00 -0.99 -4.96 107.32 105.03 2ch1 s GLY 76 Ca 0.45 0.25 -0.18 0.00 0.00 0.00 0.00 44.72 45.25 2ch1 s GLY 76 CO -0.02 2.05 1.19 -1.14 0.00 0.00 0.00 173.10 175.18 2ch1 n SER 77 N -0.78 -0.78 0.02 1.64 3.41 -1.26 -2.31 113.62 113.57 2ch1 n SER 77 Ca -0.04 -1.33 0.12 0.00 -0.26 0.00 0.00 58.87 57.36 2ch1 n SER 77 Cb 0.61 -0.97 0.57 0.00 -0.26 0.00 0.00 64.21 64.16 2ch1 n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ch1 h ALA 78 N -2.17 2.11 -0.98 7.33 0.00 -1.88 0.78 119.26 124.45 2ch1 h ALA 78 Ca -0.41 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.65 2ch1 h ALA 78 Cb 1.17 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 2ch1 h ALA 78 CO 0.28 -0.21 0.59 0.45 0.00 0.00 0.00 179.25 180.36 2ch1 h HIS 79 N 0.23 1.05 -0.29 0.00 -0.00 -1.97 -1.19 115.15 112.98 2ch1 h HIS 79 Ca 0.20 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.57 2ch1 h HIS 79 Cb 0.49 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.56 2ch1 h HIS 79 CO -0.00 0.31 0.03 0.00 -0.00 0.00 0.00 177.93 178.27 2ch1 h ALA 80 N 1.59 1.53 -0.27 2.45 0.00 -1.15 0.14 119.26 123.55 2ch1 h ALA 80 Ca 0.53 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 2ch1 h ALA 80 Cb 0.71 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2ch1 h ALA 80 CO -0.34 0.35 0.07 0.78 0.00 0.00 0.00 179.25 180.11 2ch1 h GLY 81 N 0.69 0.46 0.76 0.00 0.00 -1.27 0.20 103.07 103.91 2ch1 h GLY 81 Ca 0.10 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.15 2ch1 h GLY 81 CO 0.00 0.27 -0.13 1.98 0.00 0.00 0.00 176.54 178.66 2ch1 h MET 82 N 0.26 -0.24 -0.68 4.80 4.05 -0.99 -2.22 114.93 119.92 2ch1 h MET 82 Ca 0.08 0.02 0.14 0.00 -0.28 0.00 0.00 59.70 59.67 2ch1 h MET 82 Cb 0.28 0.05 -0.11 0.00 -0.80 0.00 0.00 31.60 31.03 2ch1 h MET 82 CO 0.00 -0.16 0.11 0.93 0.23 0.00 0.00 176.91 178.02 2ch1 h GLU 83 N -0.25 0.21 -0.16 0.39 4.39 -0.59 -2.37 114.58 116.20 2ch1 h GLU 83 Ca 0.03 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2ch1 h GLU 83 Cb 0.27 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2ch1 h GLU 83 CO -0.08 0.14 0.08 0.00 -1.16 0.00 0.00 179.01 177.98 2ch1 h ALA 84 N 1.58 0.20 -0.27 3.43 0.00 -0.33 -0.19 119.26 123.69 2ch1 h ALA 84 Ca 0.37 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.26 2ch1 h ALA 84 Cb 0.62 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2ch1 h ALA 84 CO -0.51 -0.23 -0.07 0.52 0.00 0.00 0.00 179.25 178.96 2ch1 h MET 85 N 0.13 0.00 -0.27 0.00 2.86 -1.10 -1.60 114.93 114.95 2ch1 h MET 85 Ca 0.05 -0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.56 2ch1 h MET 85 Cb 0.12 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 2ch1 h MET 85 CO -0.01 0.00 -0.36 -0.07 1.06 0.00 0.00 176.91 177.53 2ch1 h LEU 86 N 0.00 0.78 -0.99 1.22 3.38 -1.28 -0.94 115.31 117.49 2ch1 h LEU 86 Ca 0.13 -0.50 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 2ch1 h LEU 86 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2ch1 h LEU 86 CO -0.28 1.13 -0.47 0.77 0.09 0.00 0.00 178.44 179.68 2ch1 h SER 87 N 0.45 0.00 0.21 -0.43 4.64 -0.97 -2.78 113.55 114.67 2ch1 h SER 87 Ca 0.03 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.00 2ch1 h SER 87 Cb 0.95 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.05 2ch1 h SER 87 CO 0.08 0.47 -1.72 0.78 -0.87 0.00 0.00 176.83 175.57 2ch1 h ASN 88 N 0.00 0.64 0.65 4.97 2.35 -1.23 -3.39 115.58 119.57 2ch1 h ASN 88 Ca -0.00 -0.92 0.00 0.00 -0.55 0.00 0.00 56.30 54.83 2ch1 h ASN 88 Cb 0.90 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.06 2ch1 h ASN 88 CO 0.06 1.77 -0.61 0.18 -1.65 0.00 0.00 177.43 177.18 2ch1 n LEU 89 N -3.60 0.59 -4.30 1.61 4.77 -0.36 -4.68 117.00 111.03 2ch1 n LEU 89 Ca -0.24 0.10 -0.32 0.00 -0.03 0.00 0.00 56.01 55.53 2ch1 n LEU 89 Cb 1.08 -0.21 -0.16 0.00 -2.33 0.00 0.00 43.42 41.80 2ch1 n LEU 89 CO 0.52 0.04 -0.54 -0.76 -1.33 0.00 0.00 177.39 175.32 2ch1 s LEU 90 N -3.63 2.20 0.39 2.23 1.43 -1.05 -4.96 118.68 115.30 2ch1 s LEU 90 Ca 0.08 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 2ch1 s LEU 90 Cb 0.15 -1.42 -0.00 0.00 0.03 0.00 0.00 46.19 44.95 2ch1 s LEU 90 CO 0.72 0.24 0.49 -1.61 0.23 0.00 0.00 176.35 176.42 2ch1 s GLU 91 N -0.15 2.86 0.03 1.70 2.02 -1.26 -4.78 118.70 119.12 2ch1 s GLU 91 Ca -0.03 -1.22 -0.32 0.00 0.02 0.00 0.00 54.97 53.41 2ch1 s GLU 91 Cb -0.14 -2.70 -0.11 0.00 0.10 0.00 0.00 34.13 31.28 2ch1 s GLU 91 CO 0.04 -0.13 1.85 -1.91 0.02 0.00 0.00 175.26 175.13 2ch1 n GLU 92 N -1.70 2.49 0.00 1.61 2.13 -1.26 -1.71 120.64 122.20 2ch1 n GLU 92 Ca 0.04 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.77 2ch1 n GLU 92 Cb 0.59 -2.78 0.00 0.00 0.27 0.00 0.00 31.44 29.52 2ch1 n GLU 92 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ch1 n GLY 93 N 4.26 1.77 3.77 8.31 0.00 0.26 -4.99 105.19 118.57 2ch1 n GLY 93 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2ch1 n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ch1 s ASP 94 N -1.73 6.49 -0.11 1.61 1.01 -0.70 -4.25 116.67 119.00 2ch1 s ASP 94 Ca 0.00 2.73 -0.24 0.00 0.71 0.00 0.00 52.55 55.75 2ch1 s ASP 94 Cb 0.00 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 2ch1 s ASP 94 CO 0.00 -0.73 0.73 -0.13 0.21 0.00 0.00 175.17 175.25 2ch1 s ARG 95 N -2.04 4.37 -0.09 8.23 0.52 -1.26 -0.11 118.95 128.56 2ch1 s ARG 95 Ca 0.53 0.89 0.04 0.00 -0.52 0.00 0.00 55.73 56.67 2ch1 s ARG 95 Cb -0.40 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.57 2ch1 s ARG 95 CO 0.53 -0.09 -0.23 0.54 0.02 0.00 0.00 175.30 176.07 2ch1 s VAL 96 N 1.33 1.95 -0.25 3.52 0.11 -0.98 0.15 120.40 126.22 2ch1 s VAL 96 Ca 0.37 -0.96 -0.12 0.00 -2.93 0.00 0.00 61.98 58.34 2ch1 s VAL 96 Cb -0.17 -1.69 -0.05 0.00 -1.53 0.00 0.00 36.38 32.94 2ch1 s VAL 96 CO 0.16 0.54 0.24 -0.22 -3.33 0.00 0.00 175.10 172.48 2ch1 s LEU 97 N 0.36 4.08 -0.14 2.54 2.96 0.39 -0.71 118.68 128.17 2ch1 s LEU 97 Ca -0.18 0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 2ch1 s LEU 97 Cb -0.18 -2.23 0.01 0.00 0.50 0.00 0.00 46.19 44.30 2ch1 s LEU 97 CO 0.08 -0.03 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.24 2ch1 s ILE 98 N 1.46 2.00 -0.30 6.68 1.01 0.05 -0.68 121.20 131.42 2ch1 s ILE 98 Ca 0.10 -0.94 -0.23 0.00 0.00 0.00 0.00 60.65 59.59 2ch1 s ILE 98 Cb -0.15 -1.77 -0.00 0.00 0.01 0.00 0.00 42.46 40.55 2ch1 s ILE 98 CO 0.08 0.54 0.76 0.00 0.00 0.00 0.00 174.94 176.32 2ch1 s ALA 99 N 0.90 3.55 -0.29 9.38 0.00 -1.17 -1.89 121.76 132.24 2ch1 s ALA 99 Ca -0.05 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 2ch1 s ALA 99 Cb -0.15 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.76 2ch1 s ALA 99 CO -0.03 -1.13 -0.02 0.08 0.00 0.00 0.00 175.76 174.66 2ch1 s VAL 100 N 2.87 2.98 0.00 0.00 1.01 0.10 -4.76 120.40 122.60 2ch1 s VAL 100 Ca 0.31 -1.27 0.10 0.00 0.00 0.00 0.00 61.98 61.12 2ch1 s VAL 100 Cb -0.14 -2.66 0.16 0.00 0.00 0.00 0.00 36.38 33.74 2ch1 s VAL 100 CO 0.12 -0.02 0.99 -0.46 0.00 0.00 0.00 175.10 175.73 2ch1 n ASN 101 N 4.64 0.07 -3.39 3.32 6.94 -1.26 -2.27 115.26 123.30 2ch1 n ASN 101 Ca -0.14 -1.86 -0.03 0.00 -0.02 0.00 0.00 54.58 52.53 2ch1 n ASN 101 Cb 0.44 -0.06 0.02 0.00 -2.36 0.00 0.00 39.78 37.83 2ch1 n ASN 101 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2ch1 s GLY 102 N -1.23 0.10 0.32 4.83 0.00 -1.26 -4.19 107.32 105.88 2ch1 s GLY 102 Ca 0.13 -0.32 0.12 0.00 0.00 0.00 0.00 44.72 44.66 2ch1 s GLY 102 CO -0.06 2.61 1.69 1.19 0.00 0.00 0.00 173.10 178.53 2ch1 h ILE 103 N 2.00 1.31 -0.19 0.90 2.10 -1.96 -3.12 117.51 118.55 2ch1 h ILE 103 Ca -0.27 -1.80 -0.19 0.00 1.08 0.00 0.00 64.86 63.68 2ch1 h ILE 103 Cb 1.22 1.99 -0.00 0.00 -1.09 0.00 0.00 36.82 38.93 2ch1 h ILE 103 CO 0.36 0.50 -0.63 -0.50 -1.08 0.00 0.00 178.15 176.80 2ch1 h TRP 104 N 0.00 0.86 -0.48 2.19 4.06 -1.99 -1.04 115.95 119.55 2ch1 h TRP 104 Ca -0.01 -0.33 -0.06 0.00 2.06 0.00 0.00 58.89 60.55 2ch1 h TRP 104 Cb 0.95 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.93 2ch1 h TRP 104 CO 0.00 1.12 0.03 0.00 -3.56 0.00 0.00 178.44 176.03 2ch1 h ALA 105 N 0.80 1.16 -0.58 1.49 0.00 -1.88 -1.16 119.26 119.10 2ch1 h ALA 105 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2ch1 h ALA 105 Cb 1.22 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2ch1 h ALA 105 CO 0.12 0.55 0.31 0.93 0.00 0.00 0.00 179.25 181.17 2ch1 h GLU 106 N 0.73 0.82 -0.97 0.00 5.08 -1.40 -1.01 114.58 117.84 2ch1 h GLU 106 Ca 0.15 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 2ch1 h GLU 106 Cb 0.40 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 2ch1 h GLU 106 CO 0.01 0.63 0.62 0.00 -1.00 0.00 0.00 179.01 179.27 2ch1 h ARG 107 N 0.79 1.08 -0.52 2.33 2.47 -0.87 -1.08 114.38 118.58 2ch1 h ARG 107 Ca 0.20 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.80 2ch1 h ARG 107 Cb 0.06 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.11 2ch1 h ARG 107 CO -0.03 0.71 0.07 0.00 0.56 0.00 0.00 179.97 181.29 2ch1 h ALA 108 N 1.45 1.16 0.17 0.04 0.00 -0.60 -1.37 119.26 120.11 2ch1 h ALA 108 Ca 0.42 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2ch1 h ALA 108 Cb 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2ch1 h ALA 108 CO -0.18 0.56 -0.08 0.28 0.00 0.00 0.00 179.25 179.82 2ch1 h VAL 109 N 0.78 0.89 -0.73 0.00 2.07 -0.74 -0.60 116.25 117.92 2ch1 h VAL 109 Ca 0.16 -0.30 0.15 0.00 0.82 0.00 0.00 66.70 67.54 2ch1 h VAL 109 Cb 0.36 1.07 -0.10 0.00 -1.52 0.00 0.00 31.29 31.10 2ch1 h VAL 109 CO 0.01 0.07 0.21 -0.08 0.02 0.00 0.00 177.57 177.80 2ch1 h GLU 110 N -0.38 0.31 -0.20 1.57 4.57 -1.05 -0.98 114.58 118.43 2ch1 h GLU 110 Ca -0.02 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 57.98 2ch1 h GLU 110 Cb 0.29 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 2ch1 h GLU 110 CO 0.04 0.21 -0.47 0.52 -1.18 0.00 0.00 179.01 178.12 2ch1 h MET 111 N 0.32 0.67 -0.70 1.92 2.86 -1.12 -2.50 114.93 116.39 2ch1 h MET 111 Ca 0.41 -0.46 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 2ch1 h MET 111 Cb 0.66 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.36 2ch1 h MET 111 CO -0.46 1.08 0.16 0.77 1.06 0.00 0.00 176.91 179.51 2ch1 h SER 112 N 0.37 1.07 0.15 1.22 0.02 -0.70 -1.12 113.55 114.55 2ch1 h SER 112 Ca -0.00 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.72 2ch1 h SER 112 Cb 1.08 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 2ch1 h SER 112 CO 0.10 1.03 -0.18 -0.33 -1.14 0.00 0.00 176.83 176.32 2ch1 h GLU 113 N 1.06 -0.35 -0.73 3.45 5.08 -1.18 -1.10 114.58 120.81 2ch1 h GLU 113 Ca 0.22 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.72 2ch1 h GLU 113 Cb 0.39 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 2ch1 h GLU 113 CO 0.00 -0.24 0.48 0.00 -1.00 0.00 0.00 179.01 178.26 2ch1 h ARG 114 N -0.37 0.52 -0.00 2.33 3.08 -1.14 0.16 114.38 118.96 2ch1 h ARG 114 Ca 0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2ch1 h ARG 114 Cb 0.36 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2ch1 h ARG 114 CO -0.07 0.34 -0.00 0.66 -1.07 0.00 0.00 179.97 179.83 2ch1 n TYR 115 N -4.49 0.00 -1.58 3.04 0.53 -0.45 -4.92 117.16 109.28 2ch1 n TYR 115 Ca 0.13 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.01 2ch1 n TYR 115 Cb 0.41 -0.03 0.00 0.00 -1.03 0.00 0.00 39.34 38.69 2ch1 n TYR 115 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2ch1 n GLY 116 N 1.06 0.46 3.88 2.72 0.00 0.57 -4.44 105.19 109.43 2ch1 n GLY 116 Ca 0.22 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 2ch1 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ch1 s ALA 117 N -2.00 3.17 -0.67 4.61 0.00 -0.50 -0.57 121.76 125.80 2ch1 s ALA 117 Ca 0.00 -0.25 -0.21 0.00 0.00 0.00 0.00 51.96 51.50 2ch1 s ALA 117 Cb 0.00 -2.92 0.09 0.00 0.00 0.00 0.00 23.12 20.29 2ch1 s ALA 117 CO 0.00 -0.64 0.88 0.34 0.00 0.00 0.00 175.76 176.34 2ch1 s ASP 118 N -4.18 6.23 -0.28 0.00 2.15 0.84 -4.63 116.67 116.80 2ch1 s ASP 118 Ca 0.53 -1.30 -0.26 0.00 0.43 0.00 0.00 52.55 51.95 2ch1 s ASP 118 Cb -0.11 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2ch1 s ASP 118 CO 0.51 -1.26 0.90 -0.69 -0.17 0.00 0.00 175.17 174.45 2ch1 s VAL 119 N 3.33 4.73 -0.16 1.11 1.01 -1.26 -2.33 120.40 126.83 2ch1 s VAL 119 Ca 0.19 1.53 -0.03 0.00 0.00 0.00 0.00 61.98 63.67 2ch1 s VAL 119 Cb -0.18 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 2ch1 s VAL 119 CO 0.06 -0.24 -0.05 -0.13 0.00 0.00 0.00 175.10 174.74 2ch1 s ARG 120 N 3.11 3.60 0.24 2.72 1.81 0.12 -4.98 118.95 125.57 2ch1 s ARG 120 Ca 0.37 -0.55 0.11 0.00 -1.72 0.00 0.00 55.73 53.94 2ch1 s ARG 120 Cb -0.14 -2.88 -0.05 0.00 -0.45 0.00 0.00 34.95 31.43 2ch1 s ARG 120 CO 0.11 0.20 -0.20 0.95 -0.68 0.00 0.00 175.30 175.67 2ch1 s THR 121 N 0.47 2.30 -0.04 0.02 -4.23 -1.26 -0.77 115.64 112.13 2ch1 s THR 121 Ca -0.04 -2.24 -0.02 0.00 -1.18 0.00 0.00 61.69 58.21 2ch1 s THR 121 Cb -0.15 -2.18 0.03 0.00 1.34 0.00 0.00 72.50 71.54 2ch1 s THR 121 CO 0.03 -0.34 0.04 -0.51 -0.54 0.00 0.00 174.62 173.30 2ch1 s ILE 122 N -2.30 0.00 0.41 2.99 2.07 -0.79 -4.93 121.20 118.64 2ch1 s ILE 122 Ca 0.25 0.33 -0.10 0.00 -1.41 0.00 0.00 60.65 59.73 2ch1 s ILE 122 Cb -0.05 -0.22 -0.06 0.00 0.13 0.00 0.00 42.46 42.25 2ch1 s ILE 122 CO 0.12 0.19 0.77 -1.61 -1.91 0.00 0.00 174.94 172.49 2ch1 s GLU 123 N 1.97 3.76 0.22 3.50 8.01 -1.26 -0.73 118.70 134.17 2ch1 s GLU 123 Ca 0.03 0.45 -0.14 0.00 0.01 0.00 0.00 54.97 55.31 2ch1 s GLU 123 Cb -0.12 -2.39 0.01 0.00 -4.31 0.00 0.00 34.13 27.31 2ch1 s GLU 123 CO -0.03 -0.04 0.48 0.20 0.01 0.00 0.00 175.26 175.88 2ch1 s GLY 124 N -3.21 0.27 0.46 -1.39 0.00 -0.96 -4.89 107.32 97.59 2ch1 s GLY 124 Ca 0.51 -0.62 -0.23 0.00 0.00 0.00 0.00 44.72 44.38 2ch1 s GLY 124 CO 0.32 -0.50 1.20 2.56 0.00 0.00 0.00 173.10 176.68 2ch1 s PRO 125 N -3.95 3.74 0.23 2.90 0.04 -1.26 -4.53 135.00 132.17 2ch1 s PRO 125 Ca 0.16 1.87 0.20 0.00 0.04 0.00 0.00 61.00 63.27 2ch1 s PRO 125 Cb -0.01 -2.45 0.93 0.00 0.04 0.00 0.00 34.50 33.01 2ch1 s PRO 125 CO 0.03 -0.59 1.62 -0.35 0.04 0.00 0.00 177.00 177.75 2ch1 n PRO 126 N -0.43 0.14 -0.10 0.56 -0.04 -1.26 -2.96 135.00 130.91 2ch1 n PRO 126 Ca 0.07 0.48 0.04 0.00 -0.04 0.00 0.00 63.50 64.05 2ch1 n PRO 126 Cb 0.47 -1.83 0.09 0.00 -0.04 0.00 0.00 33.50 32.19 2ch1 n PRO 126 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2ch1 n ASP 127 N -2.11 2.43 -3.89 3.54 5.75 -1.26 -4.78 116.55 116.22 2ch1 n ASP 127 Ca 0.01 -1.85 -0.15 0.00 -0.01 0.00 0.00 54.79 52.79 2ch1 n ASP 127 Cb 0.15 -0.13 -0.15 0.00 -1.03 0.00 0.00 41.12 39.96 2ch1 n ASP 127 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2ch1 s ARG 128 N -0.92 0.27 0.94 0.11 0.52 -1.16 -4.71 118.95 114.00 2ch1 s ARG 128 Ca 0.15 -0.06 -0.12 0.00 -0.52 0.00 0.00 55.73 55.17 2ch1 s ARG 128 Cb 0.08 -0.31 0.16 0.00 0.52 0.00 0.00 34.95 35.40 2ch1 s ARG 128 CO 0.11 0.01 1.11 -1.25 0.02 0.00 0.00 175.30 175.31 2ch1 s PRO 129 N 0.22 0.89 0.04 3.54 0.04 -1.26 -4.45 135.00 134.01 2ch1 s PRO 129 Ca -0.02 0.42 -0.23 0.00 0.04 0.00 0.00 61.00 61.21 2ch1 s PRO 129 Cb -0.05 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 2ch1 s PRO 129 CO -0.01 -2.40 0.71 -0.06 0.04 0.00 0.00 177.00 175.28 2ch1 s PHE 130 N -3.13 3.73 0.69 0.56 0.40 -1.26 -4.97 117.98 113.99 2ch1 s PHE 130 Ca 0.64 1.39 -0.11 0.00 -0.60 0.00 0.00 56.93 58.25 2ch1 s PHE 130 Cb -0.16 -2.74 0.00 0.00 0.51 0.00 0.00 43.02 40.63 2ch1 s PHE 130 CO 0.55 0.32 1.06 -1.54 0.70 0.00 0.00 175.22 176.31 2ch1 s SER 131 N -0.18 5.51 0.34 1.36 1.04 -1.26 -4.85 113.70 115.66 2ch1 s SER 131 Ca 0.36 1.54 0.03 0.00 0.48 0.00 0.00 55.95 58.35 2ch1 s SER 131 Cb -0.20 -2.44 0.62 0.00 0.10 0.00 0.00 66.02 64.10 2ch1 s SER 131 CO 0.21 -1.35 1.97 -0.07 0.98 0.00 0.00 173.24 174.98 2ch1 h LEU 132 N -0.66 0.77 0.24 2.42 3.38 -1.95 -1.96 115.31 117.55 2ch1 h LEU 132 Ca -0.44 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 2ch1 h LEU 132 Cb 1.21 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2ch1 h LEU 132 CO 0.58 0.53 -0.11 -0.33 0.09 0.00 0.00 178.44 179.20 2ch1 h GLU 133 N 0.89 -0.31 -0.48 1.13 3.07 -1.98 0.21 114.58 117.11 2ch1 h GLU 133 Ca 0.30 0.02 0.10 0.00 -0.50 0.00 0.00 59.36 59.27 2ch1 h GLU 133 Cb 0.06 0.07 -0.09 0.00 -0.84 0.00 0.00 28.75 27.96 2ch1 h GLU 133 CO -0.09 -0.12 -0.10 1.15 -1.40 0.00 0.00 179.01 178.45 2ch1 h THR 134 N -0.44 0.54 -0.21 1.13 2.02 -1.90 -0.12 112.91 113.92 2ch1 h THR 134 Ca -0.03 -0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 2ch1 h THR 134 Cb 0.33 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2ch1 h THR 134 CO 0.05 0.00 -0.18 -0.07 0.37 0.00 0.00 175.52 175.70 2ch1 h LEU 135 N 0.01 0.52 -0.62 2.58 3.38 -1.13 -1.89 115.31 118.17 2ch1 h LEU 135 Ca 0.23 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.78 2ch1 h LEU 135 Cb 0.35 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2ch1 h LEU 135 CO -0.48 0.87 0.37 0.00 0.09 0.00 0.00 178.44 179.30 2ch1 h ALA 136 N 0.67 0.82 0.21 1.53 0.00 -0.38 0.10 119.26 122.20 2ch1 h ALA 136 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ch1 h ALA 136 Cb 0.71 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2ch1 h ALA 136 CO 0.05 0.10 -0.19 -0.09 0.00 0.00 0.00 179.25 179.12 2ch1 h ARG 137 N 0.72 -0.41 -0.94 0.00 2.43 -0.94 -0.42 114.38 114.82 2ch1 h ARG 137 Ca 0.26 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.51 2ch1 h ARG 137 Cb 0.06 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 2ch1 h ARG 137 CO -0.12 -0.27 0.61 0.00 -1.51 0.00 0.00 179.97 178.68 2ch1 h ALA 138 N 0.32 1.46 0.04 2.80 0.00 -0.97 -0.20 119.26 122.71 2ch1 h ALA 138 Ca -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ch1 h ALA 138 Cb 0.39 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2ch1 h ALA 138 CO -0.03 0.41 -0.02 0.82 0.00 0.00 0.00 179.25 180.43 2ch1 h ILE 139 N 1.10 1.18 -0.29 0.00 2.04 -0.73 -1.58 117.51 119.23 2ch1 h ILE 139 Ca 0.40 -0.72 0.07 0.00 1.00 0.00 0.00 64.86 65.60 2ch1 h ILE 139 Cb 0.15 1.66 -0.08 0.00 -0.74 0.00 0.00 36.82 37.81 2ch1 h ILE 139 CO -0.14 0.18 -0.26 -0.33 0.00 0.00 0.00 178.15 177.60 2ch1 h GLU 140 N -0.38 -0.24 0.49 2.37 5.08 -0.89 0.16 114.58 121.18 2ch1 h GLU 140 Ca -0.01 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2ch1 h GLU 140 Cb 0.34 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2ch1 h GLU 140 CO 0.01 -0.16 -0.40 1.25 -1.00 0.00 0.00 179.01 178.71 2ch1 h LEU 141 N -0.25 -1.05 0.00 1.33 6.46 -1.01 -3.30 115.31 117.49 2ch1 h LEU 141 Ca 0.15 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 2ch1 h LEU 141 Cb 0.48 0.33 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 2ch1 h LEU 141 CO -0.43 -0.56 -0.16 1.41 -0.62 0.00 0.00 178.44 178.08 2ch1 n HIS 142 N -4.84 0.87 -3.96 1.25 8.25 -0.60 -4.98 115.22 111.21 2ch1 n HIS 142 Ca -0.10 0.25 -0.33 0.00 -0.26 0.00 0.00 57.72 57.28 2ch1 n HIS 142 Cb 0.38 -0.88 -0.00 0.00 1.12 0.00 0.00 29.99 30.60 2ch1 n HIS 142 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2ch1 n GLN 143 N -2.25 -1.60 -2.32 -0.41 1.13 0.56 -4.90 117.38 107.60 2ch1 n GLN 143 Ca 0.05 0.29 -0.32 0.00 -1.94 0.00 0.00 57.00 55.08 2ch1 n GLN 143 Cb 0.44 -3.78 -0.02 0.00 0.11 0.00 0.00 30.24 26.98 2ch1 n GLN 143 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2ch1 s PRO 144 N -6.73 3.80 0.18 -1.09 0.04 -1.26 -4.89 135.00 125.05 2ch1 s PRO 144 Ca 0.26 1.02 -0.07 0.00 0.04 0.00 0.00 61.00 62.25 2ch1 s PRO 144 Cb -0.12 -2.11 0.08 0.00 0.04 0.00 0.00 34.50 32.40 2ch1 s PRO 144 CO 0.92 -0.40 1.57 -0.22 0.04 0.00 0.00 177.00 178.91 2ch1 h LYS 145 N 0.82 0.88 -4.03 4.56 3.64 -0.59 -3.39 116.57 118.45 2ch1 h LYS 145 Ca -0.47 -0.38 -0.25 0.00 -1.27 0.00 0.00 60.65 58.28 2ch1 h LYS 145 Cb 1.19 -0.02 -0.26 0.00 -0.41 0.00 0.00 32.23 32.73 2ch1 h LYS 145 CO 0.60 1.03 -0.73 0.00 -2.27 0.00 0.00 179.45 178.09 2ch1 s LEU 147 N -0.53 3.38 -0.20 0.00 2.96 0.40 -0.46 118.68 124.23 2ch1 s LEU 147 Ca -0.04 -0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.77 2ch1 s LEU 147 Cb -0.04 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 2ch1 s LEU 147 CO -0.00 0.21 -0.00 0.12 -1.32 0.00 0.00 176.35 175.36 2ch1 s PHE 148 N 0.13 3.04 -0.04 5.38 5.36 0.15 -0.67 117.98 131.33 2ch1 s PHE 148 Ca 0.00 -0.46 0.05 0.00 -0.96 0.00 0.00 56.93 55.56 2ch1 s PHE 148 Cb -0.13 -2.08 -0.01 0.00 -0.34 0.00 0.00 43.02 40.46 2ch1 s PHE 148 CO 0.02 -0.24 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.85 2ch1 s LEU 149 N 0.99 1.96 -0.15 6.12 1.43 -0.56 -3.04 118.68 125.43 2ch1 s LEU 149 Ca 0.02 -0.36 -0.28 0.00 -1.03 0.00 0.00 54.13 52.48 2ch1 s LEU 149 Cb -0.14 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 45.07 2ch1 s LEU 149 CO 0.02 0.18 0.96 -0.89 0.23 0.00 0.00 176.35 176.84 2ch1 s THR 150 N -0.12 4.79 0.00 5.49 2.01 -1.26 -1.00 115.64 125.55 2ch1 s THR 150 Ca -0.00 1.90 0.00 0.00 0.31 0.00 0.00 61.69 63.90 2ch1 s THR 150 Cb -0.10 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.15 2ch1 s THR 150 CO 0.01 -0.03 0.15 1.57 -0.69 0.00 0.00 174.62 175.63 2ch1 n HIS 151 N 5.38 0.00 -3.52 4.92 -0.00 0.14 -4.50 115.22 117.65 2ch1 n HIS 151 Ca 0.08 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.89 2ch1 n HIS 151 Cb 0.48 -0.02 -0.08 0.00 -0.12 0.00 0.00 29.99 30.25 2ch1 n HIS 151 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2ch1 s GLY 152 N -0.77 2.09 -0.42 1.57 0.00 -1.26 -0.96 107.32 107.56 2ch1 s GLY 152 Ca 0.00 -0.62 -0.16 0.00 0.00 0.00 0.00 44.72 43.95 2ch1 s GLY 152 CO 0.00 0.58 0.35 -0.35 0.00 0.00 0.00 173.10 173.68 2ch1 s ASP 153 N 0.88 6.14 0.11 1.64 -1.08 0.45 -4.26 116.67 120.55 2ch1 s ASP 153 Ca 0.15 -0.92 0.24 0.00 -0.52 0.00 0.00 52.55 51.50 2ch1 s ASP 153 Cb -0.14 -2.18 0.93 0.00 -1.46 0.00 0.00 42.92 40.07 2ch1 s ASP 153 CO 0.05 -0.52 1.74 -1.54 0.52 0.00 0.00 175.17 175.43 2ch1 n SER 154 N 5.28 0.37 0.15 -0.34 3.41 -1.26 0.21 113.62 121.45 2ch1 n SER 154 Ca -0.10 0.56 0.05 0.00 -0.26 0.00 0.00 58.87 59.11 2ch1 n SER 154 Cb 0.47 -0.65 0.05 0.00 -0.26 0.00 0.00 64.21 63.82 2ch1 n SER 154 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2ch1 h SER 155 N 0.00 0.00 0.00 4.04 4.64 -1.92 -3.41 113.55 116.90 2ch1 h SER 155 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2ch1 h SER 155 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2ch1 h SER 155 CO 0.00 0.36 -1.25 -1.54 -0.87 0.00 0.00 176.83 173.53 2ch1 n SER 156 N -3.15 3.86 0.00 4.97 3.41 -1.08 -3.79 113.62 117.84 2ch1 n SER 156 Ca 0.02 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2ch1 n SER 156 Cb 0.68 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 2ch1 n SER 156 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ch1 n GLY 157 N 3.08 0.87 3.79 5.00 0.00 0.13 -4.08 105.19 113.99 2ch1 n GLY 157 Ca -0.07 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 2ch1 n GLY 157 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ch1 s LEU 158 N 0.00 4.40 -0.19 0.99 2.96 -1.19 -0.99 118.68 124.64 2ch1 s LEU 158 Ca 0.00 0.88 -0.04 0.00 -0.22 0.00 0.00 54.13 54.75 2ch1 s LEU 158 Cb 0.00 -2.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.08 2ch1 s LEU 158 CO 0.00 0.21 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.98 2ch1 s LEU 159 N -0.44 3.04 -0.35 -0.68 2.96 0.50 -0.42 118.68 123.30 2ch1 s LEU 159 Ca 0.24 -0.28 -0.19 0.00 -0.22 0.00 0.00 54.13 53.68 2ch1 s LEU 159 Cb -0.16 -1.76 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 2ch1 s LEU 159 CO 0.11 0.06 0.54 -1.58 -1.32 0.00 0.00 176.35 174.17 2ch1 s GLN 160 N 1.01 3.66 0.22 1.98 2.00 -0.13 -4.77 119.66 123.63 2ch1 s GLN 160 Ca 0.01 -0.08 -0.32 0.00 -2.00 0.00 0.00 55.36 52.96 2ch1 s GLN 160 Cb -0.15 -3.80 -0.13 0.00 0.80 0.00 0.00 33.01 29.73 2ch1 s GLN 160 CO 0.01 -0.65 1.49 -2.30 -0.50 0.00 0.00 175.29 173.34 2ch1 n PRO 161 N 5.80 2.19 -0.00 1.67 -0.02 -1.26 -4.86 135.00 138.53 2ch1 n PRO 161 Ca -0.04 0.78 0.02 0.00 -2.02 0.00 0.00 63.50 62.25 2ch1 n PRO 161 Cb 0.49 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 2ch1 n PRO 161 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2ch1 n LEU 162 N 2.57 0.05 -4.67 2.45 4.77 -1.26 -4.95 117.00 115.97 2ch1 n LEU 162 Ca 0.13 -0.11 -0.48 0.00 -0.03 0.00 0.00 56.01 55.51 2ch1 n LEU 162 Cb 0.32 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 2ch1 n LEU 162 CO 0.63 0.01 1.27 -0.62 -1.33 0.00 0.00 177.39 177.35 2ch1 n GLU 163 N -1.54 1.99 0.00 3.23 4.71 -1.26 -2.21 120.64 125.56 2ch1 n GLU 163 Ca -0.00 0.72 0.00 0.00 -0.01 0.00 0.00 57.16 57.87 2ch1 n GLU 163 Cb 0.11 -2.50 0.00 0.00 -1.01 0.00 0.00 31.44 28.04 2ch1 n GLU 163 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ch1 n GLY 164 N 3.70 3.14 0.16 0.62 0.00 -1.26 -4.92 105.19 106.62 2ch1 n GLY 164 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 2ch1 n GLY 164 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2ch1 h VAL 165 N 0.00 1.14 -0.51 1.61 2.07 -1.73 -2.77 116.25 116.05 2ch1 h VAL 165 Ca 0.00 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 2ch1 h VAL 165 Cb 0.00 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2ch1 h VAL 165 CO 0.00 0.15 0.22 1.23 0.02 0.00 0.00 177.57 179.19 2ch1 h GLY 166 N 0.40 0.81 0.50 2.17 0.00 -1.76 -0.70 103.07 104.49 2ch1 h GLY 166 Ca 0.11 -0.42 0.09 0.00 0.00 0.00 0.00 47.33 47.11 2ch1 h GLY 166 CO -0.02 0.40 0.38 -1.61 0.00 0.00 0.00 176.54 175.69 2ch1 h GLN 167 N 0.69 0.62 -0.27 4.80 4.15 -1.77 0.80 115.11 124.13 2ch1 h GLN 167 Ca 0.17 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 2ch1 h GLN 167 Cb 0.16 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 2ch1 h GLN 167 CO -0.02 0.41 0.02 0.82 -1.93 0.00 0.00 178.83 178.14 2ch1 h ILE 168 N 0.64 1.25 -0.78 2.39 2.04 -1.18 -1.81 117.51 120.06 2ch1 h ILE 168 Ca 0.35 -0.86 0.08 0.00 1.00 0.00 0.00 64.86 65.43 2ch1 h ILE 168 Cb 0.35 1.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 2ch1 h ILE 168 CO -0.25 0.28 0.44 0.00 0.00 0.00 0.00 178.15 178.61 2ch1 h HIS 170 N 0.76 0.38 -0.38 0.00 3.86 -0.68 0.11 115.15 119.20 2ch1 h HIS 170 Ca 0.37 -0.15 0.11 0.00 -1.16 0.00 0.00 60.37 59.54 2ch1 h HIS 170 Cb 0.30 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 2ch1 h HIS 170 CO -0.07 0.82 0.32 1.96 0.86 0.00 0.00 177.93 181.83 2ch1 h GLN 171 N 0.22 0.00 -0.24 2.45 4.20 -1.13 -3.04 115.11 117.57 2ch1 h GLN 171 Ca -0.01 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 2ch1 h GLN 171 Cb 1.12 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 2ch1 h GLN 171 CO 0.10 0.00 -0.06 0.72 -0.67 0.00 0.00 178.83 178.92 2ch1 n HIS 172 N -4.13 0.79 -3.23 2.96 8.25 -0.76 -4.97 115.22 114.12 2ch1 n HIS 172 Ca 0.06 -1.21 -0.23 0.00 -0.26 0.00 0.00 57.72 56.09 2ch1 n HIS 172 Cb 0.50 -0.35 0.02 0.00 1.12 0.00 0.00 29.99 31.28 2ch1 n HIS 172 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2ch1 n ASP 173 N -0.93 -5.27 -4.45 0.41 9.92 -1.08 -4.85 116.55 110.30 2ch1 n ASP 173 Ca 0.25 -0.37 -0.33 0.00 -0.53 0.00 0.00 54.79 53.81 2ch1 n ASP 173 Cb 0.90 -4.27 -0.13 0.00 -0.64 0.00 0.00 41.12 36.97 2ch1 n ASP 173 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ch1 s LEU 175 N -0.39 4.57 -0.37 0.00 1.43 0.07 -3.76 118.68 120.23 2ch1 s LEU 175 Ca 0.04 1.94 -0.16 0.00 -1.03 0.00 0.00 54.13 54.92 2ch1 s LEU 175 Cb -0.12 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.49 2ch1 s LEU 175 CO 0.02 0.02 0.40 -0.22 0.23 0.00 0.00 176.35 176.80 2ch1 s LEU 176 N -0.73 4.60 -0.16 1.79 2.96 -1.26 -0.46 118.68 125.42 2ch1 s LEU 176 Ca 0.44 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.92 2ch1 s LEU 176 Cb -0.26 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 2ch1 s LEU 176 CO 0.32 -0.44 -0.02 -0.51 -1.32 0.00 0.00 176.35 174.38 2ch1 s ILE 177 N 2.09 4.01 -0.07 6.68 1.10 0.16 -1.21 121.20 133.95 2ch1 s ILE 177 Ca 0.12 -0.31 0.03 0.00 -0.51 0.00 0.00 60.65 59.98 2ch1 s ILE 177 Cb -0.17 -2.77 0.01 0.00 0.15 0.00 0.00 42.46 39.68 2ch1 s ILE 177 CO 0.12 0.48 -0.17 -0.69 -2.11 0.00 0.00 174.94 172.58 2ch1 s VAL 178 N 0.41 1.49 -0.48 4.00 1.01 0.11 -1.49 120.40 125.44 2ch1 s VAL 178 Ca -0.03 -0.69 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 2ch1 s VAL 178 Cb -0.14 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 34.96 2ch1 s VAL 178 CO 0.03 0.43 0.68 -0.62 0.00 0.00 0.00 175.10 175.62 2ch1 s ASP 179 N 0.48 6.29 -0.33 3.32 -1.08 -0.18 -2.98 116.67 122.19 2ch1 s ASP 179 Ca -0.15 -0.57 0.08 0.00 -0.52 0.00 0.00 52.55 51.39 2ch1 s ASP 179 Cb -0.16 -2.32 0.53 0.00 -1.46 0.00 0.00 42.92 39.50 2ch1 s ASP 179 CO 0.05 -0.89 1.53 0.00 0.52 0.00 0.00 175.17 176.39 2ch1 n ALA 180 N 6.40 4.61 -0.17 3.66 0.00 -0.66 -0.68 120.51 133.66 2ch1 n ALA 180 Ca -0.03 -3.16 -0.06 0.00 0.00 0.00 0.00 53.44 50.19 2ch1 n ALA 180 Cb 0.47 -0.85 0.04 0.00 0.00 0.00 0.00 19.45 19.11 2ch1 n ALA 180 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ch1 h VAL 181 N 1.04 1.04 0.00 0.00 2.07 -1.85 -2.40 116.25 116.14 2ch1 h VAL 181 Ca 0.30 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2ch1 h VAL 181 Cb 1.80 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2ch1 h VAL 181 CO 0.54 0.11 -0.92 0.00 0.02 0.00 0.00 177.57 177.32 2ch1 n ALA 182 N -2.28 4.38 -0.13 1.67 0.00 -1.26 -3.75 120.51 119.14 2ch1 n ALA 182 Ca 0.04 -0.53 -0.17 0.00 0.00 0.00 0.00 53.44 52.77 2ch1 n ALA 182 Cb 0.08 -0.86 -0.12 0.00 0.00 0.00 0.00 19.45 18.56 2ch1 n ALA 182 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ch1 n SER 183 N -1.54 1.95 -4.63 0.00 3.41 -1.18 -4.79 113.62 106.83 2ch1 n SER 183 Ca 0.04 -0.13 -0.48 0.00 -0.26 0.00 0.00 58.87 58.04 2ch1 n SER 183 Cb 0.34 -0.33 -0.04 0.00 -0.26 0.00 0.00 64.21 63.92 2ch1 n SER 183 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2ch1 n LEU 184 N -3.22 2.44 0.00 1.04 7.94 -0.91 -0.73 117.00 123.56 2ch1 n LEU 184 Ca -0.44 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.58 2ch1 n LEU 184 Cb 0.98 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.60 2ch1 n LEU 184 CO 0.26 -0.73 0.00 0.00 -1.11 0.00 0.00 177.39 175.81 2ch1 n GLY 186 N -2.00 -0.67 3.11 0.00 0.00 0.09 -3.98 105.19 101.74 2ch1 n GLY 186 Ca 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 2ch1 n GLY 186 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ch1 s VAL 187 N -2.73 0.19 0.32 1.61 -7.23 -1.12 -4.63 120.40 106.81 2ch1 s VAL 187 Ca -0.06 -1.59 -0.28 0.00 -1.81 0.00 0.00 61.98 58.24 2ch1 s VAL 187 Cb 0.07 -1.39 -0.13 0.00 0.56 0.00 0.00 36.38 35.49 2ch1 s VAL 187 CO 0.59 -0.88 1.12 -2.65 -0.31 0.00 0.00 175.10 172.97 2ch1 n PRO 188 N 0.18 1.66 -3.72 4.82 -0.02 -1.26 -4.79 135.00 131.86 2ch1 n PRO 188 Ca -0.15 0.58 -0.12 0.00 -2.02 0.00 0.00 63.50 61.79 2ch1 n PRO 188 Cb 0.61 -2.05 -0.11 0.00 -0.02 0.00 0.00 33.50 31.93 2ch1 n PRO 188 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2ch1 s PHE 189 N -1.09 -0.47 -0.33 6.00 5.36 -1.26 -5.03 117.98 121.16 2ch1 s PHE 189 Ca 0.58 1.05 -0.01 0.00 -0.96 0.00 0.00 56.93 57.59 2ch1 s PHE 189 Cb -0.64 0.17 0.12 0.00 -0.34 0.00 0.00 43.02 42.33 2ch1 s PHE 189 CO 0.61 -0.26 0.18 0.71 -1.46 0.00 0.00 175.22 174.99 2ch1 s TYR 190 N 0.95 0.69 0.10 10.12 1.51 -1.26 -4.54 117.35 124.93 2ch1 s TYR 190 Ca -0.06 -1.40 -0.25 0.00 -1.01 0.00 0.00 57.07 54.35 2ch1 s TYR 190 Cb -0.07 -1.00 -0.10 0.00 -0.11 0.00 0.00 41.96 40.68 2ch1 s TYR 190 CO -0.07 -0.83 1.69 1.98 -1.11 0.00 0.00 175.55 177.20 2ch1 h MET 191 N 7.56 -0.24 -0.02 -0.62 4.05 -1.16 -1.17 114.93 123.32 2ch1 h MET 191 Ca -0.05 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 2ch1 h MET 191 Cb 0.98 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.84 2ch1 h MET 191 CO 0.35 -0.16 -0.02 -0.44 0.23 0.00 0.00 176.91 176.86 2ch1 h ASP 192 N -0.25 0.05 -0.92 1.39 3.32 -1.79 -1.64 116.42 116.58 2ch1 h ASP 192 Ca 0.02 -0.53 0.16 0.00 0.02 0.00 0.00 57.03 56.70 2ch1 h ASP 192 Cb 0.27 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.73 2ch1 h ASP 192 CO -0.08 0.57 0.59 0.11 -1.72 0.00 0.00 179.24 178.71 2ch1 h LYS 193 N -0.47 0.67 -0.09 3.56 1.57 -1.82 -1.82 116.57 118.17 2ch1 h LYS 193 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2ch1 h LYS 193 Cb 0.56 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2ch1 h LYS 193 CO 0.01 0.44 0.00 0.91 -0.57 0.00 0.00 179.45 180.24 2ch1 n TRP 194 N -4.58 0.10 -2.99 -1.35 8.01 -0.45 -4.93 117.44 111.26 2ch1 n TRP 194 Ca 0.18 -0.05 -0.18 0.00 -1.31 0.00 0.00 57.50 56.15 2ch1 n TRP 194 Cb 0.50 0.00 0.04 0.00 -2.01 0.00 0.00 31.31 29.84 2ch1 n TRP 194 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 2ch1 n GLU 195 N 0.16 -4.48 -3.01 -0.99 1.02 -0.68 -3.74 120.64 108.90 2ch1 n GLU 195 Ca 0.18 0.69 -0.40 0.00 -0.02 0.00 0.00 57.16 57.61 2ch1 n GLU 195 Cb 0.32 -5.14 -0.05 0.00 -0.02 0.00 0.00 31.44 26.55 2ch1 n GLU 195 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2ch1 s ILE 196 N -3.10 4.90 -0.16 -3.67 1.01 -0.66 -4.53 121.20 114.99 2ch1 s ILE 196 Ca 0.30 1.54 0.22 0.00 0.00 0.00 0.00 60.65 62.70 2ch1 s ILE 196 Cb -0.13 -4.08 -0.13 0.00 0.01 0.00 0.00 42.46 38.14 2ch1 s ILE 196 CO 0.37 0.31 0.83 0.47 0.00 0.00 0.00 174.94 176.91 2ch1 n ASP 197 N 3.30 0.56 -3.65 3.58 8.00 -0.35 -4.67 116.55 123.31 2ch1 n ASP 197 Ca -0.02 0.22 -0.04 0.00 0.71 0.00 0.00 54.79 55.66 2ch1 n ASP 197 Cb 0.51 0.95 -0.06 0.00 -0.02 0.00 0.00 41.12 42.50 2ch1 n ASP 197 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ch1 s ALA 198 N -3.37 -1.88 0.06 2.24 0.00 -0.99 -0.28 121.76 117.54 2ch1 s ALA 198 Ca -0.03 2.29 0.00 0.00 0.00 0.00 0.00 51.96 54.22 2ch1 s ALA 198 Cb 0.11 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 2ch1 s ALA 198 CO 0.83 -0.69 -0.05 0.54 0.00 0.00 0.00 175.76 176.40 2ch1 s VAL 199 N 2.35 0.37 0.01 0.00 0.11 -0.35 0.04 120.40 122.94 2ch1 s VAL 199 Ca -0.07 -1.58 -0.11 0.00 -2.93 0.00 0.00 61.98 57.28 2ch1 s VAL 199 Cb -0.09 -1.21 0.01 0.00 -1.53 0.00 0.00 36.38 33.55 2ch1 s VAL 199 CO -0.19 -0.79 0.23 -0.72 -3.33 0.00 0.00 175.10 170.30 2ch1 s TYR 200 N -3.05 -0.04 0.44 1.54 -0.85 -1.16 -1.83 117.35 112.40 2ch1 s TYR 200 Ca 0.02 -0.04 0.01 0.00 -0.52 0.00 0.00 57.07 56.53 2ch1 s TYR 200 Cb 0.02 0.02 -0.00 0.00 0.38 0.00 0.00 41.96 42.37 2ch1 s TYR 200 CO -0.06 -0.39 0.04 2.41 -1.52 0.00 0.00 175.55 176.04 2ch1 n THR 201 N 1.06 0.00 -4.45 -3.49 -1.04 -0.84 -1.66 114.28 103.85 2ch1 n THR 201 Ca -0.21 -2.22 -0.34 0.00 -2.04 0.00 0.00 64.05 59.25 2ch1 n THR 201 Cb 0.57 0.55 -0.11 0.00 -1.82 0.00 0.00 70.33 69.52 2ch1 n THR 201 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2ch1 s GLY 202 N -3.51 1.77 0.17 3.41 0.00 -1.25 -3.99 107.32 103.92 2ch1 s GLY 202 Ca 0.06 -0.83 -0.14 0.00 0.00 0.00 0.00 44.72 43.80 2ch1 s GLY 202 CO 0.04 -0.45 1.80 0.00 0.00 0.00 0.00 173.10 174.49 2ch1 h ALA 203 N 5.64 0.61 -0.55 3.20 0.00 -1.86 -3.42 119.26 122.88 2ch1 h ALA 203 Ca -0.44 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.01 2ch1 h ALA 203 Cb 1.18 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 18.69 2ch1 h ALA 203 CO 0.56 -0.05 0.45 0.00 0.00 0.00 0.00 179.25 180.21 2ch1 n GLN 204 N -4.84 2.23 -0.30 0.00 0.00 -1.08 -1.45 117.38 111.94 2ch1 n GLN 204 Ca 0.03 -2.17 0.26 0.00 0.00 0.00 0.00 57.00 55.12 2ch1 n GLN 204 Cb 0.09 -1.98 0.49 0.00 0.00 0.00 0.00 30.24 28.84 2ch1 n GLN 204 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2ch1 n VAL 206 N 0.56 -0.39 -0.32 -0.39 0.31 -1.26 -0.11 118.33 116.72 2ch1 n VAL 206 Ca 0.44 1.94 0.30 0.00 -0.01 0.00 0.00 64.34 67.00 2ch1 n VAL 206 Cb 0.56 -3.07 0.65 0.00 -0.91 0.00 0.00 33.84 31.07 2ch1 n VAL 206 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2ch1 h LEU 207 N 0.00 0.19 -1.08 7.52 4.07 -1.81 -1.22 115.31 122.97 2ch1 h LEU 207 Ca 0.74 0.04 -0.27 0.00 0.08 0.00 0.00 57.88 58.47 2ch1 h LEU 207 Cb 1.88 0.01 0.10 0.00 1.08 0.00 0.00 40.66 43.74 2ch1 h LEU 207 CO -0.76 0.03 -0.49 0.61 -1.08 0.00 0.00 178.44 176.75 2ch1 n GLY 208 N -1.64 -0.10 3.57 0.83 0.00 -1.23 -4.80 105.19 101.81 2ch1 n GLY 208 Ca 0.26 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 2ch1 n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ch1 s ALA 209 N -3.23 2.93 0.36 4.61 0.00 -0.53 -4.23 121.76 121.67 2ch1 s ALA 209 Ca 0.32 -1.45 -0.27 0.00 0.00 0.00 0.00 51.96 50.57 2ch1 s ALA 209 Cb -0.14 -0.75 -0.09 0.00 0.00 0.00 0.00 23.12 22.14 2ch1 s ALA 209 CO 0.51 0.49 1.20 -1.25 0.00 0.00 0.00 175.76 176.70 2ch1 s PRO 210 N -2.75 4.23 0.73 0.00 0.04 -1.26 -2.62 135.00 133.37 2ch1 s PRO 210 Ca 0.24 1.94 -0.14 0.00 0.04 0.00 0.00 61.00 63.09 2ch1 s PRO 210 Cb -0.09 -2.87 0.04 0.00 0.04 0.00 0.00 34.50 31.62 2ch1 s PRO 210 CO 0.15 -0.20 1.16 -1.25 0.04 0.00 0.00 177.00 176.89 2ch1 s PRO 211 N -2.02 2.23 0.00 0.56 0.04 -1.26 -4.53 135.00 130.02 2ch1 s PRO 211 Ca 0.53 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2ch1 s PRO 211 Cb -0.34 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2ch1 s PRO 211 CO 0.43 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 176.16 2ch1 n GLY 212 N -0.08 0.72 2.88 0.56 0.00 -1.26 -5.01 105.19 103.00 2ch1 n GLY 212 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 2ch1 n GLY 212 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ch1 s ILE 213 N -1.34 0.09 -0.24 -0.61 2.07 -0.98 -2.34 121.20 117.85 2ch1 s ILE 213 Ca 0.00 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.21 2ch1 s ILE 213 Cb 0.00 -0.10 0.07 0.00 0.13 0.00 0.00 42.46 42.56 2ch1 s ILE 213 CO 0.00 0.04 -0.01 -0.89 -1.91 0.00 0.00 174.94 172.16 2ch1 s THR 214 N 0.08 1.33 0.32 4.00 2.01 0.07 -4.03 115.64 119.41 2ch1 s THR 214 Ca -0.00 -1.20 -0.29 0.00 0.31 0.00 0.00 61.69 60.51 2ch1 s THR 214 Cb -0.02 -1.71 -0.11 0.00 0.01 0.00 0.00 72.50 70.68 2ch1 s THR 214 CO -0.00 -0.22 1.47 -2.84 -0.69 0.00 0.00 174.62 172.35 2ch1 s PRO 215 N 1.47 4.19 0.02 4.92 0.02 -1.26 -0.51 135.00 143.85 2ch1 s PRO 215 Ca -0.02 2.46 -0.03 0.00 0.02 0.00 0.00 61.00 63.43 2ch1 s PRO 215 Cb -0.18 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 2ch1 s PRO 215 CO -0.09 -0.48 0.03 0.42 -0.33 0.00 0.00 177.00 176.55 2ch1 s ILE 216 N -0.61 0.12 -0.17 2.83 1.01 0.41 -1.98 121.20 122.80 2ch1 s ILE 216 Ca 0.56 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 2ch1 s ILE 216 Cb -0.45 -0.50 0.06 0.00 0.01 0.00 0.00 42.46 41.58 2ch1 s ILE 216 CO 0.53 -0.53 0.43 -0.55 0.00 0.00 0.00 174.94 174.82 2ch1 s SER 217 N -1.67 -0.53 0.07 3.58 0.15 -0.76 -1.44 113.70 113.10 2ch1 s SER 217 Ca -0.12 0.92 0.09 0.00 0.70 0.00 0.00 55.95 57.54 2ch1 s SER 217 Cb -0.07 0.81 -0.03 0.00 -1.71 0.00 0.00 66.02 65.03 2ch1 s SER 217 CO -0.02 -0.19 -0.24 0.27 1.20 0.00 0.00 173.24 174.26 2ch1 s ILE 218 N 1.31 1.94 0.68 6.45 -4.36 -0.69 -1.21 121.20 125.32 2ch1 s ILE 218 Ca -0.09 -1.43 -0.11 0.00 -0.26 0.00 0.00 60.65 58.76 2ch1 s ILE 218 Cb -0.08 -1.70 -0.00 0.00 1.25 0.00 0.00 42.46 41.93 2ch1 s ILE 218 CO -0.12 0.19 1.07 -0.94 0.24 0.00 0.00 174.94 175.38 2ch1 s SER 219 N -1.49 5.64 0.51 4.36 1.04 0.62 -4.39 113.70 119.99 2ch1 s SER 219 Ca 0.10 1.31 0.23 0.00 0.48 0.00 0.00 55.95 58.07 2ch1 s SER 219 Cb -0.10 -2.20 1.33 0.00 0.10 0.00 0.00 66.02 65.15 2ch1 s SER 219 CO 0.03 -1.23 1.99 -0.65 0.98 0.00 0.00 173.24 174.36 2ch1 h PRO 220 N -0.58 0.07 -0.04 4.02 0.11 -1.97 0.20 132.00 133.82 2ch1 h PRO 220 Ca -0.45 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2ch1 h PRO 220 Cb 1.23 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2ch1 h PRO 220 CO 0.62 0.05 -0.01 -0.22 -0.21 0.00 0.00 178.00 178.23 2ch1 h LYS 221 N 0.08 0.07 -0.76 1.05 3.64 -1.93 -0.17 116.57 118.55 2ch1 h LYS 221 Ca 0.26 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2ch1 h LYS 221 Cb 0.94 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.72 2ch1 h LYS 221 CO -0.02 0.44 0.48 0.00 -2.27 0.00 0.00 179.45 178.07 2ch1 h ALA 222 N 0.63 0.96 -0.24 5.00 0.00 -1.63 -1.57 119.26 122.42 2ch1 h ALA 222 Ca 0.01 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2ch1 h ALA 222 Cb 0.42 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2ch1 h ALA 222 CO 0.00 0.41 0.04 1.25 0.00 0.00 0.00 179.25 180.96 2ch1 h LEU 223 N 1.03 0.00 -0.88 0.00 5.85 -0.52 -1.95 115.31 118.85 2ch1 h LEU 223 Ca 0.27 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.98 2ch1 h LEU 223 Cb -0.07 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2ch1 h LEU 223 CO -0.05 0.03 0.21 -0.78 -0.34 0.00 0.00 178.44 177.51 2ch1 h ASP 224 N 0.13 0.96 -0.66 1.25 3.58 -0.78 -0.05 116.42 120.86 2ch1 h ASP 224 Ca 0.11 -0.17 0.06 0.00 0.42 0.00 0.00 57.03 57.45 2ch1 h ASP 224 Cb 0.11 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 40.86 2ch1 h ASP 224 CO -0.15 0.90 0.37 0.58 -2.88 0.00 0.00 179.24 178.05 2ch1 h VAL 225 N 1.00 0.97 -0.15 2.25 2.07 -0.99 -1.17 116.25 120.23 2ch1 h VAL 225 Ca 0.22 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 2ch1 h VAL 225 Cb 0.28 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2ch1 h VAL 225 CO -0.01 0.12 0.01 0.40 0.02 0.00 0.00 177.57 178.12 2ch1 h ILE 226 N 0.68 1.23 -0.57 4.57 2.04 -0.56 -2.87 117.51 122.03 2ch1 h ILE 226 Ca 0.29 -0.76 0.17 0.00 1.00 0.00 0.00 64.86 65.56 2ch1 h ILE 226 Cb 0.17 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 2ch1 h ILE 226 CO -0.18 0.22 0.42 0.03 0.00 0.00 0.00 178.15 178.64 2ch1 h ARG 227 N 0.01 0.00 -0.70 2.37 2.47 -0.76 -2.60 114.38 115.18 2ch1 h ARG 227 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2ch1 h ARG 227 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 2ch1 h ARG 227 CO 0.00 0.00 0.00 0.09 0.56 0.00 0.00 179.97 180.62 2ch1 n ASN 228 N -4.34 3.81 -4.75 7.04 5.03 -0.47 -4.99 115.26 116.59 2ch1 n ASN 228 Ca 0.11 -2.00 -0.35 0.00 0.87 0.00 0.00 54.58 53.20 2ch1 n ASN 228 Cb 0.65 -0.46 0.04 0.00 -1.02 0.00 0.00 39.78 38.99 2ch1 n ASN 228 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ch1 s ARG 229 N -1.07 2.86 0.14 3.52 1.70 -0.98 -4.94 118.95 120.17 2ch1 s ARG 229 Ca 0.47 1.78 -0.00 0.00 -0.47 0.00 0.00 55.73 57.51 2ch1 s ARG 229 Cb 0.25 -1.92 -0.09 0.00 -0.57 0.00 0.00 34.95 32.62 2ch1 s ARG 229 CO 0.33 -1.28 1.31 -0.09 -1.08 0.00 0.00 175.30 174.49 2ch1 h ARG 230 N 0.66 0.25 -5.82 3.89 9.65 -1.93 -3.46 114.38 117.62 2ch1 h ARG 230 Ca -0.50 -0.30 -0.50 0.00 -1.10 0.00 0.00 59.98 57.58 2ch1 h ARG 230 Cb 1.29 0.09 -0.21 0.00 -1.39 0.00 0.00 29.97 29.76 2ch1 h ARG 230 CO 0.54 1.04 -0.80 0.95 2.80 0.00 0.00 179.97 184.50 2ch1 s THR 231 N -3.10 1.52 0.47 0.20 -4.23 -1.26 -5.13 115.64 104.11 2ch1 s THR 231 Ca -0.04 -1.56 -0.24 0.00 -1.18 0.00 0.00 61.69 58.67 2ch1 s THR 231 Cb 0.09 -1.47 -0.07 0.00 1.34 0.00 0.00 72.50 72.38 2ch1 s THR 231 CO 0.85 -0.19 1.41 -0.54 -0.54 0.00 0.00 174.62 175.61 2ch1 s LYS 232 N -2.10 3.57 0.68 3.99 1.02 -1.26 -4.97 119.74 120.67 2ch1 s LYS 232 Ca 0.06 2.36 -0.15 0.00 0.02 0.00 0.00 55.97 58.26 2ch1 s LYS 232 Cb -0.09 -2.57 0.01 0.00 -0.52 0.00 0.00 37.83 34.67 2ch1 s LYS 232 CO 0.04 -0.89 1.15 -1.54 -0.92 0.00 0.00 175.35 173.19 2ch1 s SER 233 N -0.62 4.74 0.40 2.83 1.04 -1.26 -4.93 113.70 115.89 2ch1 s SER 233 Ca 0.63 2.16 0.15 0.00 0.48 0.00 0.00 55.95 59.37 2ch1 s SER 233 Cb -0.43 -2.57 0.84 0.00 0.10 0.00 0.00 66.02 63.96 2ch1 s SER 233 CO 0.54 -1.89 1.88 0.11 0.98 0.00 0.00 173.24 174.86 2ch1 h LYS 234 N -0.06 0.00 -4.82 4.02 1.57 -1.94 -3.42 116.57 111.93 2ch1 h LYS 234 Ca -0.47 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.63 2ch1 h LYS 234 Cb 1.27 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.22 2ch1 h LYS 234 CO 0.52 0.31 -0.76 0.08 -0.57 0.00 0.00 179.45 179.04 2ch1 s VAL 235 N -4.25 2.49 0.21 0.50 1.01 -1.26 -4.99 120.40 114.12 2ch1 s VAL 235 Ca -0.03 -1.59 -0.09 0.00 0.00 0.00 0.00 61.98 60.27 2ch1 s VAL 235 Cb 0.14 -2.48 0.15 0.00 0.00 0.00 0.00 36.38 34.20 2ch1 s VAL 235 CO 0.71 -0.10 1.77 0.15 0.00 0.00 0.00 175.10 177.62 2ch1 h PHE 236 N 7.85 0.52 -0.32 5.22 3.57 -1.97 -1.82 116.94 129.99 2ch1 h PHE 236 Ca -0.19 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.43 2ch1 h PHE 236 Cb 1.05 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 2ch1 h PHE 236 CO 0.62 0.18 0.25 -0.92 -2.23 0.00 0.00 178.31 176.21 2ch1 h TYR 237 N 0.51 0.00 0.00 0.41 3.20 -1.98 -1.60 116.97 117.52 2ch1 h TYR 237 Ca 0.31 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.09 2ch1 h TYR 237 Cb 0.34 0.00 -0.20 0.00 1.54 0.00 0.00 36.73 38.41 2ch1 h TYR 237 CO -0.13 0.00 -0.76 -2.67 -1.64 0.00 0.00 178.16 172.96 2ch1 n TRP 238 N -4.29 0.00 -1.67 -3.82 2.14 -1.13 -4.89 117.44 103.78 2ch1 n TRP 238 Ca 0.05 -0.92 -0.42 0.00 2.07 0.00 0.00 57.50 58.27 2ch1 n TRP 238 Cb 0.41 -0.19 -0.03 0.00 -0.81 0.00 0.00 31.31 30.70 2ch1 n TRP 238 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 2ch1 s ASP 239 N -2.52 6.22 0.37 -0.67 -1.08 -0.60 -4.86 116.67 113.52 2ch1 s ASP 239 Ca 0.35 2.45 0.26 0.00 -0.52 0.00 0.00 52.55 55.09 2ch1 s ASP 239 Cb 0.37 -2.53 0.75 0.00 -1.46 0.00 0.00 42.92 40.05 2ch1 s ASP 239 CO -0.12 -1.27 1.74 -0.07 0.52 0.00 0.00 175.17 175.97 2ch1 h LEU 240 N 11.70 0.00 -0.32 -1.34 4.07 -1.90 0.58 115.31 128.09 2ch1 h LEU 240 Ca -0.47 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.38 2ch1 h LEU 240 Cb 1.23 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 2ch1 h LEU 240 CO 0.95 0.00 -0.22 -0.07 -1.08 0.00 0.00 178.44 178.01 2ch1 h LEU 241 N 0.00 0.76 0.08 1.67 3.38 -1.98 -0.83 115.31 118.39 2ch1 h LEU 241 Ca 0.00 -0.44 -0.19 0.00 0.09 0.00 0.00 57.88 57.34 2ch1 h LEU 241 Cb 0.75 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 41.31 2ch1 h LEU 241 CO 0.00 1.03 -0.81 -0.07 0.09 0.00 0.00 178.44 178.68 2ch1 h LEU 242 N 0.49 0.57 -0.02 1.67 3.38 -1.83 -2.45 115.31 117.13 2ch1 h LEU 242 Ca 0.06 -0.85 -0.00 0.00 0.09 0.00 0.00 57.88 57.18 2ch1 h LEU 242 Cb 0.78 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2ch1 h LEU 242 CO 0.06 1.36 0.01 0.25 0.09 0.00 0.00 178.44 180.21 2ch1 h LEU 243 N -0.15 0.03 -1.60 1.67 5.85 -0.98 -2.70 115.31 117.43 2ch1 h LEU 243 Ca -0.12 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 2ch1 h LEU 243 Cb 1.56 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 2ch1 h LEU 243 CO 0.15 0.20 0.09 1.23 -0.34 0.00 0.00 178.44 179.78 2ch1 h GLY 244 N -0.15 0.38 0.74 3.75 0.00 -1.27 -1.31 103.07 105.21 2ch1 h GLY 244 Ca 0.01 -0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.19 2ch1 h GLY 244 CO -0.00 0.16 -0.05 -0.57 0.00 0.00 0.00 176.54 176.08 2ch1 h ASN 245 N 0.36 -0.17 -0.01 0.19 -0.73 -1.24 0.76 115.58 114.74 2ch1 h ASN 245 Ca 0.09 0.04 -0.07 0.00 1.87 0.00 0.00 56.30 58.23 2ch1 h ASN 245 Cb 0.09 0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 2ch1 h ASN 245 CO -0.01 -0.07 -0.17 0.22 -0.37 0.00 0.00 177.43 177.03 2ch1 h TYR 246 N -0.05 0.36 0.00 0.67 3.20 -1.11 -1.68 116.97 118.36 2ch1 h TYR 246 Ca 0.06 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2ch1 h TYR 246 Cb 0.13 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2ch1 h TYR 246 CO -0.17 0.50 0.00 0.91 -1.64 0.00 0.00 178.16 177.76 2ch1 n TRP 247 N -4.21 0.00 -3.10 -3.82 7.02 -0.54 -4.90 117.44 107.89 2ch1 n TRP 247 Ca -0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.35 2ch1 n TRP 247 Cb 0.32 -0.05 0.07 0.00 -2.42 0.00 0.00 31.31 29.23 2ch1 n TRP 247 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2ch1 n GLY 248 N 0.81 -0.17 0.03 6.99 0.00 -0.56 -4.93 105.19 107.36 2ch1 n GLY 248 Ca 0.20 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2ch1 n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ch1 s TYR 250 N -3.21 2.33 -1.42 0.00 4.12 -1.26 -4.48 117.35 113.43 2ch1 s TYR 250 Ca 0.03 -0.60 -0.13 0.00 0.02 0.00 0.00 57.07 56.39 2ch1 s TYR 250 Cb 0.14 -1.43 -0.03 0.00 -1.52 0.00 0.00 41.96 39.12 2ch1 s TYR 250 CO 0.82 0.47 2.47 -0.25 0.02 0.00 0.00 175.55 179.08 2ch1 n ASP 251 N -0.80 5.69 -3.81 2.29 8.00 -1.26 -4.84 116.55 121.83 2ch1 n ASP 251 Ca -0.05 -2.68 -0.12 0.00 0.71 0.00 0.00 54.79 52.64 2ch1 n ASP 251 Cb 0.64 -1.53 -0.09 0.00 -0.02 0.00 0.00 41.12 40.12 2ch1 n ASP 251 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2ch1 s GLU 252 N 2.98 0.60 0.43 -1.24 2.02 -1.26 -5.15 118.70 117.09 2ch1 s GLU 252 Ca 0.56 -0.30 -0.24 0.00 0.02 0.00 0.00 54.97 55.01 2ch1 s GLU 252 Cb 0.15 0.26 -0.08 0.00 0.10 0.00 0.00 34.13 34.56 2ch1 s GLU 252 CO -0.06 -0.16 1.20 -1.25 0.02 0.00 0.00 175.26 175.01 2ch1 s PRO 253 N -1.43 3.89 0.06 0.39 0.04 -1.26 -4.97 135.00 131.73 2ch1 s PRO 253 Ca -0.14 1.88 -0.31 0.00 0.04 0.00 0.00 61.00 62.48 2ch1 s PRO 253 Cb -0.06 -2.57 -0.07 0.00 0.04 0.00 0.00 34.50 31.85 2ch1 s PRO 253 CO 0.03 -0.47 1.34 0.15 0.04 0.00 0.00 177.00 178.08 2ch1 s LYS 254 N -2.47 4.34 -0.00 4.56 1.02 -1.26 -4.90 119.74 121.02 2ch1 s LYS 254 Ca 0.60 1.95 0.05 0.00 0.02 0.00 0.00 55.97 58.59 2ch1 s LYS 254 Cb -0.31 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.59 2ch1 s LYS 254 CO 0.39 -0.43 -0.13 1.03 -0.92 0.00 0.00 175.35 175.29 2ch1 s ARG 255 N 1.49 2.37 0.03 1.68 0.52 -1.26 -5.00 118.95 118.78 2ch1 s ARG 255 Ca 0.63 -0.80 -0.35 0.00 -0.52 0.00 0.00 55.73 54.69 2ch1 s ARG 255 Cb -0.33 -2.35 -0.13 0.00 0.52 0.00 0.00 34.95 32.66 2ch1 s ARG 255 CO 0.29 0.59 1.68 0.98 0.02 0.00 0.00 175.30 178.86 2ch1 n TYR 256 N 1.83 2.21 0.00 -0.53 9.36 -1.26 -4.38 117.16 124.39 2ch1 n TYR 256 Ca -0.16 0.21 -0.02 0.00 3.32 0.00 0.00 57.90 61.25 2ch1 n TYR 256 Cb 0.52 -2.57 -0.01 0.00 -0.63 0.00 0.00 39.34 36.66 2ch1 n TYR 256 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2ch1 n HIS 257 N 4.67 0.00 -3.76 2.98 -0.00 -1.26 -5.08 115.22 112.78 2ch1 n HIS 257 Ca 0.20 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.82 2ch1 n HIS 257 Cb 0.27 -0.12 -0.04 0.00 -0.00 0.00 0.00 29.99 30.10 2ch1 n HIS 257 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2ch1 s HIS 258 N -1.91 -0.08 -0.15 1.57 -3.43 -1.26 -5.08 115.29 104.95 2ch1 s HIS 258 Ca -0.07 -0.26 -0.27 0.00 -0.80 0.00 0.00 55.06 53.65 2ch1 s HIS 258 Cb 0.01 0.37 -0.01 0.00 -1.43 0.00 0.00 32.58 31.51 2ch1 s HIS 258 CO 0.10 -0.91 0.92 0.99 -2.00 0.00 0.00 174.74 173.85 2ch1 s THR 259 N -3.88 4.82 0.48 -5.38 2.01 -1.26 -5.02 115.64 107.41 2ch1 s THR 259 Ca 0.10 1.84 -0.10 0.00 0.31 0.00 0.00 61.69 63.84 2ch1 s THR 259 Cb -0.01 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 2ch1 s THR 259 CO -0.02 0.00 0.84 0.68 -0.69 0.00 0.00 174.62 175.43 2ch1 s VAL 260 N 2.17 4.78 -1.20 3.82 -7.23 -1.26 -4.97 120.40 116.51 2ch1 s VAL 260 Ca 0.43 0.62 -0.19 0.00 -1.81 0.00 0.00 61.98 61.02 2ch1 s VAL 260 Cb -0.17 -3.79 0.07 0.00 0.56 0.00 0.00 36.38 33.05 2ch1 s VAL 260 CO 0.14 -0.74 1.61 0.00 -0.31 0.00 0.00 175.10 175.81 2ch1 s ALA 261 N -2.64 3.18 0.18 1.32 0.00 -1.26 -4.84 121.76 117.70 2ch1 s ALA 261 Ca 0.52 -2.74 -0.18 0.00 0.00 0.00 0.00 51.96 49.56 2ch1 s ALA 261 Cb -0.10 -4.56 0.14 0.00 0.00 0.00 0.00 23.12 18.59 2ch1 s ALA 261 CO 0.39 -3.35 1.31 0.43 0.00 0.00 0.00 175.76 174.54 2ch1 n SER 262 N 8.32 -0.64 -0.21 0.00 7.64 -1.26 -0.94 113.62 126.53 2ch1 n SER 262 Ca 0.43 1.49 -0.09 0.00 1.01 0.00 0.00 58.87 61.71 2ch1 n SER 262 Cb 0.47 -0.30 0.04 0.00 -1.01 0.00 0.00 64.21 63.41 2ch1 n SER 262 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2ch1 h ASN 263 N 0.00 1.04 -0.34 6.43 2.35 -1.88 -0.48 115.58 122.70 2ch1 h ASN 263 Ca 0.25 -0.29 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 2ch1 h ASN 263 Cb 0.47 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 2ch1 h ASN 263 CO -0.83 1.08 0.04 -0.07 -1.65 0.00 0.00 177.43 176.00 2ch1 h LEU 264 N 0.97 0.63 -0.54 1.61 3.38 -1.54 -2.40 115.31 117.42 2ch1 h LEU 264 Ca 0.17 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2ch1 h LEU 264 Cb 0.55 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2ch1 h LEU 264 CO 0.03 0.68 -0.17 0.40 0.09 0.00 0.00 178.44 179.47 2ch1 h ILE 265 N 0.64 1.27 -0.64 1.22 2.04 0.01 0.12 117.51 122.17 2ch1 h ILE 265 Ca 0.14 -1.33 -0.05 0.00 1.00 0.00 0.00 64.86 64.62 2ch1 h ILE 265 Cb 0.35 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 2ch1 h ILE 265 CO 0.01 0.46 0.22 -0.26 0.00 0.00 0.00 178.15 178.58 2ch1 h PHE 266 N 0.87 1.01 -0.02 1.37 0.05 -0.97 -0.34 116.94 118.91 2ch1 h PHE 266 Ca 0.12 -0.09 -0.00 0.00 3.82 0.00 0.00 57.97 61.82 2ch1 h PHE 266 Cb 0.74 -0.29 -0.00 0.00 2.00 0.00 0.00 35.95 38.40 2ch1 h PHE 266 CO 0.05 0.81 -0.00 0.00 -0.18 0.00 0.00 178.31 178.99 2ch1 h ALA 267 N 1.08 0.02 -0.33 2.45 0.00 -1.27 -2.28 119.26 118.93 2ch1 h ALA 267 Ca 0.21 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2ch1 h ALA 267 Cb 0.26 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 2ch1 h ALA 267 CO -0.01 -0.30 -0.18 1.25 0.00 0.00 0.00 179.25 180.00 2ch1 h LEU 268 N -0.30 -0.61 -0.58 0.00 5.85 -0.85 -1.16 115.31 117.66 2ch1 h LEU 268 Ca 0.00 0.14 0.12 0.00 0.84 0.00 0.00 57.88 58.98 2ch1 h LEU 268 Cb 0.34 0.32 -0.11 0.00 0.37 0.00 0.00 40.66 41.58 2ch1 h LEU 268 CO 0.00 -0.22 -0.13 -0.09 -0.34 0.00 0.00 178.44 177.66 2ch1 h ARG 269 N -0.13 0.01 -0.44 1.25 1.12 -1.02 0.11 114.38 115.28 2ch1 h ARG 269 Ca 0.17 -0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.98 2ch1 h ARG 269 Cb 0.39 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.33 2ch1 h ARG 269 CO -0.42 0.00 0.03 0.93 -3.11 0.00 0.00 179.97 177.41 2ch1 h GLU 270 N 0.01 0.71 -0.31 0.20 4.39 -0.85 0.68 114.58 119.40 2ch1 h GLU 270 Ca 0.28 -0.17 -0.13 0.00 0.34 0.00 0.00 59.36 59.68 2ch1 h GLU 270 Cb 0.43 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2ch1 h GLU 270 CO -0.59 0.70 -0.34 0.00 -1.16 0.00 0.00 179.01 177.63 2ch1 h ALA 271 N 1.36 0.82 -0.50 3.43 0.00 -0.06 -1.85 119.26 122.46 2ch1 h ALA 271 Ca 0.14 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 2ch1 h ALA 271 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2ch1 h ALA 271 CO 0.01 0.64 -0.15 -0.07 0.00 0.00 0.00 179.25 179.69 2ch1 h LEU 272 N 0.59 0.99 -1.06 0.00 3.38 -0.41 -2.78 115.31 116.02 2ch1 h LEU 272 Ca 0.06 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.68 2ch1 h LEU 272 Cb 0.86 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 2ch1 h LEU 272 CO 0.07 1.14 0.63 0.00 0.09 0.00 0.00 178.44 180.37 2ch1 h ALA 273 N 0.89 1.34 -0.61 1.53 0.00 -0.64 -0.50 119.26 121.27 2ch1 h ALA 273 Ca 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2ch1 h ALA 273 Cb 0.72 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2ch1 h ALA 273 CO 0.05 0.61 0.14 1.96 0.00 0.00 0.00 179.25 182.01 2ch1 h GLN 274 N 1.27 0.98 -0.06 0.00 4.20 -1.24 0.51 115.11 120.78 2ch1 h GLN 274 Ca 0.36 -0.24 -0.18 0.00 0.06 0.00 0.00 58.65 58.64 2ch1 h GLN 274 Cb -0.11 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 2ch1 h GLN 274 CO -0.09 0.90 -0.75 0.97 -0.67 0.00 0.00 178.83 179.20 2ch1 h ILE 275 N 0.89 1.40 -0.66 2.54 2.10 -1.21 -2.80 117.51 119.77 2ch1 h ILE 275 Ca 0.19 -2.22 0.00 0.00 1.08 0.00 0.00 64.86 63.91 2ch1 h ILE 275 Cb 0.37 2.18 -0.03 0.00 -1.09 0.00 0.00 36.82 38.25 2ch1 h ILE 275 CO 0.00 0.66 0.42 0.00 -1.08 0.00 0.00 178.15 178.15 2ch1 h ALA 276 N 0.97 0.84 -0.52 0.18 0.00 -0.83 0.34 119.26 120.24 2ch1 h ALA 276 Ca -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2ch1 h ALA 276 Cb 1.33 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2ch1 h ALA 276 CO 0.12 0.30 0.22 0.93 0.00 0.00 0.00 179.25 180.82 2ch1 h GLU 277 N 0.90 0.76 0.12 0.00 5.08 -0.86 -3.13 114.58 117.45 2ch1 h GLU 277 Ca 0.24 -0.13 -0.28 0.00 -1.00 0.00 0.00 59.36 58.19 2ch1 h GLU 277 Cb -0.06 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2ch1 h GLU 277 CO -0.05 0.66 -1.29 1.49 -1.00 0.00 0.00 179.01 178.81 2ch1 h GLU 278 N 0.69 0.26 0.00 2.33 4.81 -1.43 -3.51 114.58 117.74 2ch1 h GLU 278 Ca 0.17 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2ch1 h GLU 278 Cb 0.17 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2ch1 h GLU 278 CO -0.02 1.19 0.00 0.41 -0.73 0.00 0.00 179.01 179.86 2ch1 n GLY 279 N 1.55 1.02 0.44 1.92 0.00 0.12 -4.59 105.19 105.64 2ch1 n GLY 279 Ca -0.10 -1.43 -0.14 0.00 0.00 0.00 0.00 46.02 44.36 2ch1 n GLY 279 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ch1 h LEU 280 N 0.00 -1.55 -0.60 0.99 3.38 -1.88 -2.61 115.31 113.03 2ch1 h LEU 280 Ca 0.00 0.20 0.12 0.00 0.09 0.00 0.00 57.88 58.29 2ch1 h LEU 280 Cb 0.00 0.62 -0.12 0.00 0.09 0.00 0.00 40.66 41.26 2ch1 h LEU 280 CO 0.00 -0.45 -0.17 -0.08 0.09 0.00 0.00 178.44 177.82 2ch1 h GLU 281 N -0.52 -0.02 -0.57 1.13 4.81 -1.95 -0.39 114.58 117.06 2ch1 h GLU 281 Ca 0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2ch1 h GLU 281 Cb 0.65 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 2ch1 h GLU 281 CO -0.44 -0.02 0.33 -0.91 -0.73 0.00 0.00 179.01 177.24 2ch1 h ASN 282 N -0.03 0.69 -0.03 1.04 2.35 -1.77 -0.92 115.58 116.91 2ch1 h ASN 282 Ca 0.29 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.95 2ch1 h ASN 282 Cb 0.46 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2ch1 h ASN 282 CO -0.63 0.55 -0.16 1.56 -1.65 0.00 0.00 177.43 177.10 2ch1 h GLN 283 N 0.79 0.17 -0.44 0.81 4.20 -0.84 -1.41 115.11 118.39 2ch1 h GLN 283 Ca 0.21 -0.13 0.09 0.00 0.06 0.00 0.00 58.65 58.87 2ch1 h GLN 283 Cb 0.00 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 27.73 2ch1 h GLN 283 CO -0.04 0.78 -0.07 0.82 -0.67 0.00 0.00 178.83 179.66 2ch1 h ILE 284 N -0.41 0.60 -0.63 2.54 2.04 -1.09 -1.16 117.51 119.39 2ch1 h ILE 284 Ca -0.01 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2ch1 h ILE 284 Cb 0.81 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2ch1 h ILE 284 CO 0.03 0.01 0.35 0.11 0.00 0.00 0.00 178.15 178.65 2ch1 h LYS 285 N 0.04 0.87 -0.60 2.37 1.57 -1.15 -0.48 116.57 119.18 2ch1 h LYS 285 Ca 0.21 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 2ch1 h LYS 285 Cb 0.32 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2ch1 h LYS 285 CO -0.42 0.63 0.05 -0.09 -0.57 0.00 0.00 179.45 179.06 2ch1 h ARG 286 N 0.87 1.00 -0.01 3.15 2.43 -0.67 -1.97 114.38 119.18 2ch1 h ARG 286 Ca 0.22 -0.27 -0.24 0.00 -0.81 0.00 0.00 59.98 58.88 2ch1 h ARG 286 Cb 0.02 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2ch1 h ARG 286 CO -0.04 0.95 -0.97 0.00 -1.51 0.00 0.00 179.97 178.40 2ch1 h ARG 287 N 0.93 0.56 -0.64 0.20 3.08 -0.82 -1.49 114.38 116.19 2ch1 h ARG 287 Ca 0.18 -0.59 -0.00 0.00 0.07 0.00 0.00 59.98 59.64 2ch1 h ARG 287 Cb 0.46 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 2ch1 h ARG 287 CO 0.02 1.21 0.39 0.82 -1.07 0.00 0.00 179.97 181.34 2ch1 h ILE 288 N 0.32 1.18 -0.25 2.04 2.04 -1.09 -1.31 117.51 120.44 2ch1 h ILE 288 Ca -0.10 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 2ch1 h ILE 288 Cb 1.61 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2ch1 h ILE 288 CO 0.18 0.19 0.12 -0.33 0.00 0.00 0.00 178.15 178.31 2ch1 h GLU 289 N 0.87 0.36 -0.67 2.37 5.08 -1.22 -2.58 114.58 118.79 2ch1 h GLU 289 Ca 0.23 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.61 2ch1 h GLU 289 Cb -0.04 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 2ch1 h GLU 289 CO -0.04 0.37 0.34 0.00 -1.00 0.00 0.00 179.01 178.68 2ch1 h ALA 291 N 1.38 0.53 -0.12 0.00 0.00 -1.13 -0.95 119.26 118.98 2ch1 h ALA 291 Ca 0.32 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.31 2ch1 h ALA 291 Cb 0.28 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2ch1 h ALA 291 CO -0.23 -0.25 -0.01 1.96 0.00 0.00 0.00 179.25 180.72 2ch1 h GLN 292 N 0.31 0.02 -0.99 0.00 1.08 -1.00 0.31 115.11 114.84 2ch1 h GLN 292 Ca 0.21 -0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.49 2ch1 h GLN 292 Cb 0.22 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.58 2ch1 h GLN 292 CO -0.23 0.02 0.63 0.82 -0.95 0.00 0.00 178.83 179.12 2ch1 h ILE 293 N 0.02 1.05 0.23 2.54 2.04 -1.07 -0.99 117.51 121.33 2ch1 h ILE 293 Ca 0.05 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 2ch1 h ILE 293 Cb 0.07 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 35.99 2ch1 h ILE 293 CO -0.10 0.20 -0.11 0.25 0.00 0.00 0.00 178.15 178.39 2ch1 h LEU 294 N 1.12 -0.26 -0.48 1.44 5.85 -0.05 -1.58 115.31 121.35 2ch1 h LEU 294 Ca 0.44 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 59.16 2ch1 h LEU 294 Cb 0.23 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 2ch1 h LEU 294 CO -0.19 -0.07 0.02 1.88 -0.34 0.00 0.00 178.44 179.74 2ch1 h TYR 295 N -0.44 0.01 -0.40 1.25 0.99 -0.07 -0.61 116.97 117.70 2ch1 h TYR 295 Ca -0.03 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.74 2ch1 h TYR 295 Cb 0.33 0.07 -0.02 0.00 1.00 0.00 0.00 36.73 38.11 2ch1 h TYR 295 CO -0.02 -0.08 0.26 0.93 -0.00 0.00 0.00 178.16 179.24 2ch1 h GLU 296 N 0.14 0.51 -0.30 4.88 5.08 -1.11 -0.06 114.58 123.72 2ch1 h GLU 296 Ca 0.24 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.45 2ch1 h GLU 296 Cb 0.36 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2ch1 h GLU 296 CO -0.38 0.34 -0.31 0.78 -1.00 0.00 0.00 179.01 178.44 2ch1 h GLY 297 N 0.53 0.69 0.86 -3.84 0.00 -0.85 -1.77 103.07 98.69 2ch1 h GLY 297 Ca 0.15 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 2ch1 h GLY 297 CO -0.04 0.57 0.02 1.41 0.00 0.00 0.00 176.54 178.49 2ch1 h LEU 298 N 0.54 0.42 -0.50 3.11 3.38 -0.92 -2.97 115.31 118.37 2ch1 h LEU 298 Ca 0.06 -0.28 0.10 0.00 0.09 0.00 0.00 57.88 57.85 2ch1 h LEU 298 Cb 0.79 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.33 2ch1 h LEU 298 CO 0.07 0.60 -0.22 1.23 0.09 0.00 0.00 178.44 180.21 2ch1 h GLY 299 N 0.23 0.14 2.00 0.83 0.00 -0.79 -1.41 103.07 104.08 2ch1 h GLY 299 Ca 0.08 0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 2ch1 h GLY 299 CO 0.01 -0.21 -0.02 0.50 0.00 0.00 0.00 176.54 176.81 2ch1 h LYS 300 N -0.11 0.00 -0.00 4.80 1.57 -1.28 0.30 116.57 121.85 2ch1 h LYS 300 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2ch1 h LYS 300 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2ch1 h LYS 300 CO -0.57 0.02 -0.38 -1.33 -0.57 0.00 0.00 179.45 176.63 2ch1 n MET 301 N -3.70 0.32 -1.40 3.15 2.81 -0.62 -4.93 117.12 112.75 2ch1 n MET 301 Ca -0.03 -0.18 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 2ch1 n MET 301 Cb 0.11 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 2ch1 n MET 301 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ch1 n GLY 302 N 1.43 0.44 3.88 3.03 0.00 0.09 -4.59 105.19 109.48 2ch1 n GLY 302 Ca 0.08 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 2ch1 n GLY 302 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ch1 s LEU 303 N 0.00 4.39 0.20 0.99 1.43 -0.65 -5.02 118.68 120.02 2ch1 s LEU 303 Ca 0.00 0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 53.68 2ch1 s LEU 303 Cb 0.00 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 2ch1 s LEU 303 CO 0.00 0.29 0.39 -1.81 0.23 0.00 0.00 176.35 175.45 2ch1 s ASP 304 N -1.49 6.38 -0.14 2.29 1.11 -1.26 -4.27 116.67 119.29 2ch1 s ASP 304 Ca 0.24 0.38 -0.02 0.00 0.18 0.00 0.00 52.55 53.34 2ch1 s ASP 304 Cb -0.13 -2.00 -0.02 0.00 1.07 0.00 0.00 42.92 41.84 2ch1 s ASP 304 CO 0.13 -0.05 -0.09 -0.63 1.18 0.00 0.00 175.17 175.71 2ch1 s ILE 305 N -1.88 3.37 0.20 0.77 1.01 -1.26 -0.88 121.20 122.53 2ch1 s ILE 305 Ca 0.38 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 2ch1 s ILE 305 Cb -0.11 -2.44 0.18 0.00 0.01 0.00 0.00 42.46 40.10 2ch1 s ILE 305 CO 0.29 0.51 1.65 0.15 0.00 0.00 0.00 174.94 177.54 2ch1 h PHE 306 N 6.74 -0.19 -3.32 3.97 3.57 -1.46 -3.26 116.94 122.99 2ch1 h PHE 306 Ca -0.28 0.05 -0.65 0.00 3.53 0.00 0.00 57.97 60.62 2ch1 h PHE 306 Cb 1.20 0.17 -0.15 0.00 2.79 0.00 0.00 35.95 39.96 2ch1 h PHE 306 CO 0.52 -0.20 0.27 0.08 -2.23 0.00 0.00 178.31 176.74 2ch1 s VAL 307 N -6.20 4.68 -0.02 1.41 1.01 -1.26 -4.93 120.40 115.09 2ch1 s VAL 307 Ca -0.14 -0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.58 2ch1 s VAL 307 Cb 0.18 -4.37 -0.24 0.00 0.00 0.00 0.00 36.38 31.95 2ch1 s VAL 307 CO 0.73 -0.87 1.06 0.50 0.00 0.00 0.00 175.10 176.51 2ch1 h LYS 308 N 9.08 0.33 -6.23 2.72 3.64 -1.84 -3.42 116.57 120.84 2ch1 h LYS 308 Ca -0.26 -0.37 -0.57 0.00 -1.27 0.00 0.00 60.65 58.18 2ch1 h LYS 308 Cb 1.09 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.96 2ch1 h LYS 308 CO 1.00 1.06 0.86 0.34 -2.27 0.00 0.00 179.45 180.44 2ch1 s ASP 309 N -6.64 6.94 0.57 4.20 -1.08 -1.26 -4.91 116.67 114.49 2ch1 s ASP 309 Ca -0.14 1.26 0.27 0.00 -0.52 0.00 0.00 52.55 53.41 2ch1 s ASP 309 Cb 0.02 -2.54 1.52 0.00 -1.46 0.00 0.00 42.92 40.47 2ch1 s ASP 309 CO 0.80 -0.84 2.05 -0.65 0.52 0.00 0.00 175.17 177.04 2ch1 h PRO 310 N 8.12 0.00 0.00 4.34 0.11 -1.99 -1.34 132.00 141.24 2ch1 h PRO 310 Ca -0.22 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.89 2ch1 h PRO 310 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2ch1 h PRO 310 CO 1.01 0.00 -0.02 -0.09 -0.21 0.00 0.00 178.00 178.69 2ch1 h ARG 311 N 0.00 0.00 -0.02 1.05 2.43 -1.96 -3.04 114.38 112.84 2ch1 h ARG 311 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2ch1 h ARG 311 Cb 0.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2ch1 h ARG 311 CO -0.00 0.02 -0.12 0.72 -1.51 0.00 0.00 179.97 179.08 2ch1 n HIS 312 N -3.51 0.00 -2.78 2.20 8.25 -0.50 -5.01 115.22 113.87 2ch1 n HIS 312 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 2ch1 n HIS 312 Cb 0.11 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.17 2ch1 n HIS 312 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2ch1 s ARG 313 N -1.50 4.72 -0.32 -0.41 0.52 -1.15 -0.37 118.95 120.44 2ch1 s ARG 313 Ca 0.16 1.41 -0.27 0.00 -0.52 0.00 0.00 55.73 56.51 2ch1 s ARG 313 Cb 0.13 -3.34 0.01 0.00 0.52 0.00 0.00 34.95 32.27 2ch1 s ARG 313 CO 0.27 0.34 0.97 -1.17 0.02 0.00 0.00 175.30 175.73 2ch1 s LEU 314 N -0.46 3.99 0.44 2.53 2.96 -0.17 -4.55 118.68 123.43 2ch1 s LEU 314 Ca 0.44 0.89 0.15 0.00 -0.22 0.00 0.00 54.13 55.39 2ch1 s LEU 314 Cb -0.24 -3.37 1.07 0.00 0.50 0.00 0.00 46.19 44.15 2ch1 s LEU 314 CO 0.30 -0.79 1.97 -0.65 -1.32 0.00 0.00 176.35 175.85 2ch1 h PRO 315 N 8.13 0.36 0.00 0.98 0.11 -1.89 -2.96 132.00 136.72 2ch1 h PRO 315 Ca -0.22 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.83 2ch1 h PRO 315 Cb 1.07 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2ch1 h PRO 315 CO 0.98 0.24 -0.22 1.79 -0.21 0.00 0.00 178.00 180.58 2ch1 h THR 316 N 0.37 0.29 -3.27 -1.15 1.35 -1.86 -3.42 112.91 105.22 2ch1 h THR 316 Ca 0.30 -1.42 -0.49 0.00 -0.55 0.00 0.00 66.41 64.25 2ch1 h THR 316 Cb 0.67 2.13 -0.36 0.00 -1.73 0.00 0.00 68.15 68.86 2ch1 h THR 316 CO -0.08 0.17 -0.79 -0.69 -0.25 0.00 0.00 175.52 173.87 2ch1 s VAL 317 N -3.13 0.86 -0.07 6.82 1.01 -1.12 0.34 120.40 125.11 2ch1 s VAL 317 Ca 0.06 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.86 2ch1 s VAL 317 Cb 0.06 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 2ch1 s VAL 317 CO 0.70 0.33 -0.22 -0.89 0.00 0.00 0.00 175.10 175.02 2ch1 s THR 318 N 1.47 1.86 -0.28 3.92 2.01 0.09 -4.20 115.64 120.51 2ch1 s THR 318 Ca -0.00 -0.93 -0.21 0.00 0.31 0.00 0.00 61.69 60.86 2ch1 s THR 318 Cb -0.13 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 2ch1 s THR 318 CO -0.05 0.52 0.66 -0.83 -0.69 0.00 0.00 174.62 174.23 2ch1 s GLY 319 N 0.16 1.78 -0.43 4.40 0.00 -1.26 -0.95 107.32 111.02 2ch1 s GLY 319 Ca -0.11 -0.51 -0.17 0.00 0.00 0.00 0.00 44.72 43.92 2ch1 s GLY 319 CO 0.06 1.50 0.44 -0.42 0.00 0.00 0.00 173.10 174.68 2ch1 s ILE 320 N 2.62 5.09 0.16 0.90 1.01 0.06 -1.18 121.20 129.86 2ch1 s ILE 320 Ca 0.27 -0.46 -0.31 0.00 0.00 0.00 0.00 60.65 60.14 2ch1 s ILE 320 Cb -0.15 -4.07 -0.11 0.00 0.01 0.00 0.00 42.46 38.14 2ch1 s ILE 320 CO 0.10 -0.47 1.80 -0.04 0.00 0.00 0.00 174.94 176.33 2ch1 s MET 321 N 2.10 4.13 0.13 2.79 -1.94 -0.05 -0.58 119.30 125.87 2ch1 s MET 321 Ca 0.11 2.62 -0.31 0.00 -1.71 0.00 0.00 55.69 56.40 2ch1 s MET 321 Cb -0.18 -3.40 -0.10 0.00 2.01 0.00 0.00 34.83 33.16 2ch1 s MET 321 CO 0.12 -0.82 1.73 0.42 -0.01 0.00 0.00 175.02 176.47 2ch1 s ILE 322 N 2.17 2.61 0.75 2.53 -1.09 -0.14 -4.55 121.20 123.49 2ch1 s ILE 322 Ca 0.79 0.22 -0.12 0.00 -2.23 0.00 0.00 60.65 59.31 2ch1 s ILE 322 Cb -0.48 -3.14 0.05 0.00 -1.58 0.00 0.00 42.46 37.31 2ch1 s ILE 322 CO 0.35 0.00 1.11 -2.84 -1.23 0.00 0.00 174.94 172.33 2ch1 s PRO 323 N 2.28 2.31 0.13 2.79 0.02 -1.26 -4.96 135.00 136.32 2ch1 s PRO 323 Ca 0.77 1.28 -0.28 0.00 0.02 0.00 0.00 61.00 62.79 2ch1 s PRO 323 Cb -0.45 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.10 2ch1 s PRO 323 CO 0.34 -1.62 1.47 0.87 -0.33 0.00 0.00 177.00 177.74 2ch1 h LYS 324 N -0.83 -0.12 0.00 5.54 1.57 -2.01 -2.10 116.57 118.62 2ch1 h LYS 324 Ca -0.45 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2ch1 h LYS 324 Cb 1.24 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2ch1 h LYS 324 CO 0.51 -0.08 0.00 0.41 -0.57 0.00 0.00 179.45 179.72 2ch1 n GLY 325 N -1.26 -0.66 3.76 3.86 0.00 -1.26 -4.88 105.19 104.75 2ch1 n GLY 325 Ca 0.00 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2ch1 n GLY 325 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ch1 s VAL 326 N -2.00 5.34 -0.49 1.61 1.01 -0.79 -5.05 120.40 120.03 2ch1 s VAL 326 Ca 0.24 0.42 -0.20 0.00 0.00 0.00 0.00 61.98 62.44 2ch1 s VAL 326 Cb 0.11 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.98 2ch1 s VAL 326 CO 0.18 0.45 0.67 -0.62 0.00 0.00 0.00 175.10 175.78 2ch1 s ASP 327 N 0.11 6.26 0.22 3.32 -1.08 -1.26 -4.88 116.67 119.36 2ch1 s ASP 327 Ca 0.14 -0.70 -0.09 0.00 -0.52 0.00 0.00 52.55 51.39 2ch1 s ASP 327 Cb -0.13 -2.31 0.18 0.00 -1.46 0.00 0.00 42.92 39.20 2ch1 s ASP 327 CO 0.03 -0.90 1.87 4.11 0.52 0.00 0.00 175.17 180.80 2ch1 h TRP 328 N 9.00 1.06 0.00 -5.34 5.08 -1.96 -2.40 115.95 121.39 2ch1 h TRP 328 Ca -0.27 0.01 -0.07 0.00 1.08 0.00 0.00 58.89 59.64 2ch1 h TRP 328 Cb 1.09 -0.35 -0.01 0.00 -3.00 0.00 0.00 29.16 26.89 2ch1 h TRP 328 CO 0.76 0.70 -0.32 2.35 -1.28 0.00 0.00 178.44 180.65 2ch1 h TRP 329 N 1.11 0.00 -0.06 0.12 7.01 -1.98 -2.11 115.95 120.04 2ch1 h TRP 329 Ca 0.29 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.29 2ch1 h TRP 329 Cb -0.07 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 26.99 2ch1 h TRP 329 CO -0.01 0.32 0.01 0.87 -2.79 0.00 0.00 178.44 176.84 2ch1 h LYS 330 N 0.00 0.10 -0.12 2.65 1.57 -1.86 -1.55 116.57 117.36 2ch1 h LYS 330 Ca -0.00 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2ch1 h LYS 330 Cb 0.76 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2ch1 h LYS 330 CO 0.04 0.31 -0.03 0.28 -0.57 0.00 0.00 179.45 179.48 2ch1 h VAL 331 N -0.12 0.87 -0.07 0.50 2.07 -1.35 -2.32 116.25 115.82 2ch1 h VAL 331 Ca 0.02 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.43 2ch1 h VAL 331 Cb 0.25 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2ch1 h VAL 331 CO 0.00 0.00 -0.45 -1.28 0.02 0.00 0.00 177.57 175.87 2ch1 h SER 332 N -0.00 0.18 0.03 0.57 0.87 -1.35 -0.14 113.55 113.71 2ch1 h SER 332 Ca 0.06 -0.08 -0.23 0.00 -1.23 0.00 0.00 61.79 60.31 2ch1 h SER 332 Cb 0.09 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2ch1 h SER 332 CO -0.13 0.61 -0.87 1.56 -0.53 0.00 0.00 176.83 177.46 2ch1 h GLN 333 N 0.14 0.65 -0.36 2.24 1.08 -1.23 -2.49 115.11 115.15 2ch1 h GLN 333 Ca 0.01 -0.60 0.05 0.00 -1.45 0.00 0.00 58.65 56.66 2ch1 h GLN 333 Cb 0.85 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 28.38 2ch1 h GLN 333 CO 0.07 1.21 0.09 -0.92 -0.95 0.00 0.00 178.83 178.33 2ch1 h TYR 334 N 0.41 0.16 -0.52 2.96 3.20 -0.99 0.12 116.97 122.31 2ch1 h TYR 334 Ca -0.08 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.91 2ch1 h TYR 334 Cb 1.50 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 39.68 2ch1 h TYR 334 CO 0.08 0.05 0.09 0.00 -1.64 0.00 0.00 178.16 176.74 2ch1 h ALA 335 N 1.25 0.58 -0.26 1.82 0.00 -0.97 0.59 119.26 122.28 2ch1 h ALA 335 Ca 0.17 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 2ch1 h ALA 335 Cb 0.17 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2ch1 h ALA 335 CO -0.20 -0.32 -0.18 1.98 0.00 0.00 0.00 179.25 180.52 2ch1 h MET 336 N 0.22 0.58 -0.01 0.00 1.85 -1.13 0.12 114.93 116.57 2ch1 h MET 336 Ca 0.27 -0.28 -0.10 0.00 -0.61 0.00 0.00 59.70 58.98 2ch1 h MET 336 Cb 0.37 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.39 2ch1 h MET 336 CO -0.36 0.86 -0.46 -0.91 -0.40 0.00 0.00 176.91 175.64 2ch1 h ASN 337 N 0.30 0.01 0.00 1.39 2.35 -0.41 -1.48 115.58 117.73 2ch1 h ASN 337 Ca 0.05 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 2ch1 h ASN 337 Cb 0.72 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.06 2ch1 h ASN 337 CO 0.05 0.47 -1.84 0.59 -1.65 0.00 0.00 177.43 175.06 2ch1 n ASN 338 N -3.99 1.37 0.00 5.81 3.02 0.17 -4.69 115.26 116.95 2ch1 n ASN 338 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2ch1 n ASN 338 Cb 0.48 1.39 0.00 0.00 -0.61 0.00 0.00 39.78 41.04 2ch1 n ASN 338 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2ch1 n PHE 339 N -2.24 0.00 -2.74 3.10 3.01 0.38 -4.97 117.46 114.00 2ch1 n PHE 339 Ca -0.11 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.19 2ch1 n PHE 339 Cb 0.63 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.10 2ch1 n PHE 339 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2ch1 n SER 340 N -0.04 -4.09 -4.73 4.37 7.64 -0.56 -4.77 113.62 111.44 2ch1 n SER 340 Ca 0.00 -0.01 -0.36 0.00 1.01 0.00 0.00 58.87 59.51 2ch1 n SER 340 Cb 0.10 -3.43 -0.07 0.00 -1.01 0.00 0.00 64.21 59.80 2ch1 n SER 340 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2ch1 s LEU 341 N -5.95 4.24 -0.48 -3.43 2.96 -0.91 0.05 118.68 115.16 2ch1 s LEU 341 Ca 0.13 0.49 -0.24 0.00 -0.22 0.00 0.00 54.13 54.29 2ch1 s LEU 341 Cb -0.07 -2.35 0.03 0.00 0.50 0.00 0.00 46.19 44.30 2ch1 s LEU 341 CO 0.17 0.10 0.88 -0.70 -1.32 0.00 0.00 176.35 175.48 2ch1 s GLU 342 N 0.46 3.43 -0.50 1.98 2.56 -0.16 -2.56 118.70 123.91 2ch1 s GLU 342 Ca 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 54.97 55.03 2ch1 s GLU 342 Cb -0.13 -3.97 0.13 0.00 2.00 0.00 0.00 34.13 32.17 2ch1 s GLU 342 CO 0.03 -1.25 0.32 0.08 -0.56 0.00 0.00 175.26 173.88 2ch1 s VAL 343 N 3.62 3.62 0.45 3.70 1.01 -1.26 -3.78 120.40 127.76 2ch1 s VAL 343 Ca 0.32 -2.34 -0.21 0.00 0.00 0.00 0.00 61.98 59.75 2ch1 s VAL 343 Cb -0.12 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.75 2ch1 s VAL 343 CO 0.23 -0.78 0.99 -1.58 0.00 0.00 0.00 175.10 173.96 2ch1 s GLN 344 N 0.73 4.08 0.00 2.72 2.00 -1.25 -4.77 119.66 123.17 2ch1 s GLN 344 Ca 0.11 1.23 0.00 0.00 -2.00 0.00 0.00 55.36 54.70 2ch1 s GLN 344 Cb -0.22 -2.18 0.00 0.00 0.80 0.00 0.00 33.01 31.41 2ch1 s GLN 344 CO -0.04 -0.18 0.00 0.41 -0.50 0.00 0.00 175.29 174.99 2ch1 n GLY 345 N -0.42 -0.62 3.97 2.59 0.00 -1.26 -0.74 105.19 108.71 2ch1 n GLY 345 Ca 0.08 -1.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.17 2ch1 n GLY 345 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ch1 s GLY 346 N -2.03 1.78 -0.18 -0.02 0.00 -0.57 -3.52 107.32 102.79 2ch1 s GLY 346 Ca 0.00 -1.34 -0.18 0.00 0.00 0.00 0.00 44.72 43.20 2ch1 s GLY 346 CO 0.00 -0.95 0.51 -2.27 0.00 0.00 0.00 173.10 170.38 2ch1 s LEU 347 N -4.98 0.06 0.00 0.66 0.20 -1.26 -4.47 118.68 108.89 2ch1 s LEU 347 Ca 0.60 0.98 0.00 0.00 0.69 0.00 0.00 54.13 56.40 2ch1 s LEU 347 Cb -0.09 1.76 0.00 0.00 -0.43 0.00 0.00 46.19 47.43 2ch1 s LEU 347 CO 0.41 -0.20 0.00 0.61 -0.29 0.00 0.00 176.35 176.88 2ch1 n GLY 348 N 2.68 3.36 0.53 7.98 0.00 -1.26 -1.28 105.19 117.20 2ch1 n GLY 348 Ca -0.14 0.01 0.38 0.00 0.00 0.00 0.00 46.02 46.27 2ch1 n GLY 348 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ch1 h PRO 349 N 0.00 0.09 -0.22 1.61 0.11 -1.93 0.23 132.00 131.89 2ch1 h PRO 349 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2ch1 h PRO 349 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 2ch1 h PRO 349 CO 0.00 0.06 0.00 0.25 -0.21 0.00 0.00 178.00 178.10 2ch1 n THR 350 N -4.35 0.28 -1.68 -1.15 -2.24 -0.41 -4.85 114.28 99.88 2ch1 n THR 350 Ca 0.34 -0.64 -0.48 0.00 -2.27 0.00 0.00 64.05 60.99 2ch1 n THR 350 Cb 1.43 1.19 -0.05 0.00 -2.10 0.00 0.00 70.33 70.80 2ch1 n THR 350 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2ch1 n PHE 351 N 1.32 2.31 -0.63 4.78 7.35 0.82 -1.24 117.46 132.17 2ch1 n PHE 351 Ca 0.16 0.05 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 2ch1 n PHE 351 Cb 0.57 -2.64 0.00 0.00 0.35 0.00 0.00 39.48 37.76 2ch1 n PHE 351 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2ch1 n GLY 352 N 4.20 0.40 0.07 7.13 0.00 -1.26 -4.77 105.19 110.96 2ch1 n GLY 352 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 2ch1 n GLY 352 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ch1 n LYS 353 N -2.00 1.70 -3.82 1.61 5.02 -0.37 -4.93 118.16 115.37 2ch1 n LYS 353 Ca 0.00 -0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.16 2ch1 n LYS 353 Cb 0.00 -1.36 -0.09 0.00 -0.02 0.00 0.00 35.03 33.56 2ch1 n LYS 353 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ch1 s ALA 354 N -2.35 -0.55 0.77 7.82 0.00 -0.83 -0.96 121.76 125.66 2ch1 s ALA 354 Ca -0.07 0.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.89 2ch1 s ALA 354 Cb 0.04 0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.29 2ch1 s ALA 354 CO 0.57 -0.23 1.11 -1.58 0.00 0.00 0.00 175.76 175.63 2ch1 s TRP 355 N -1.30 3.02 -0.12 0.00 0.51 0.25 -1.51 118.94 119.79 2ch1 s TRP 355 Ca -0.14 1.04 -0.01 0.00 -2.12 0.00 0.00 56.10 54.87 2ch1 s TRP 355 Cb -0.06 -3.17 0.03 0.00 -0.81 0.00 0.00 33.47 29.46 2ch1 s TRP 355 CO 0.03 -1.58 -0.06 1.03 -0.51 0.00 0.00 176.95 175.86 2ch1 s ARG 356 N -5.30 1.38 -0.21 4.98 0.52 0.08 -0.76 118.95 119.63 2ch1 s ARG 356 Ca 0.60 -0.28 -0.11 0.00 -0.52 0.00 0.00 55.73 55.42 2ch1 s ARG 356 Cb -0.13 -1.64 -0.05 0.00 0.52 0.00 0.00 34.95 33.65 2ch1 s ARG 356 CO 0.52 -0.32 0.18 0.08 0.02 0.00 0.00 175.30 175.78 2ch1 s VAL 357 N 1.72 5.36 -0.12 3.52 1.01 -0.12 -3.79 120.40 127.98 2ch1 s VAL 357 Ca 0.04 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.22 2ch1 s VAL 357 Cb -0.13 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2ch1 s VAL 357 CO -0.08 0.38 0.12 -0.83 0.00 0.00 0.00 175.10 174.69 2ch1 s GLY 358 N 0.71 2.10 -0.64 4.51 0.00 -0.35 -0.73 107.32 112.92 2ch1 s GLY 358 Ca 0.10 -0.67 -0.03 0.00 0.00 0.00 0.00 44.72 44.12 2ch1 s GLY 358 CO 0.02 -0.36 0.46 -0.42 0.00 0.00 0.00 173.10 172.80 2ch1 s ILE 359 N -0.89 3.80 0.05 0.90 1.01 0.15 -4.59 121.20 121.64 2ch1 s ILE 359 Ca 0.14 -2.98 -0.13 0.00 0.00 0.00 0.00 60.65 57.68 2ch1 s ILE 359 Cb -0.12 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.90 2ch1 s ILE 359 CO 0.03 -0.89 0.29 -0.04 0.00 0.00 0.00 174.94 174.33 2ch1 s MET 360 N -0.11 0.80 4.91 2.79 -1.94 -1.26 -4.65 119.30 119.85 2ch1 s MET 360 Ca 0.17 -0.53 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 2ch1 s MET 360 Cb -0.20 0.35 0.00 0.00 2.01 0.00 0.00 34.83 36.99 2ch1 s MET 360 CO -0.04 -0.26 0.00 0.41 -0.01 0.00 0.00 175.02 175.13 2ch1 n GLY 361 N 0.55 3.06 0.00 -0.03 0.00 -0.46 -2.41 105.19 105.90 2ch1 n GLY 361 Ca -0.18 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 45.83 2ch1 n GLY 361 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ch1 n GLU 362 N 14.00 0.07 -0.98 1.61 -0.58 -0.51 -3.09 120.64 131.16 2ch1 n GLU 362 Ca 0.00 0.10 -0.04 0.00 -0.42 0.00 0.00 57.16 56.81 2ch1 n GLU 362 Cb 0.00 -1.50 0.31 0.00 -0.57 0.00 0.00 31.44 29.68 2ch1 n GLU 362 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ch1 n SER 364 N -0.13 6.88 -4.27 0.00 7.64 -1.18 -4.52 113.62 118.05 2ch1 n SER 364 Ca 0.39 -3.41 -0.21 0.00 1.01 0.00 0.00 58.87 56.64 2ch1 n SER 364 Cb 1.34 -1.19 -0.12 0.00 -1.01 0.00 0.00 64.21 63.24 2ch1 n SER 364 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2ch1 s THR 365 N -3.13 1.57 0.24 0.44 -4.23 -1.26 -4.77 115.64 104.50 2ch1 s THR 365 Ca 0.56 -1.62 -0.06 0.00 -1.18 0.00 0.00 61.69 59.39 2ch1 s THR 365 Cb 0.39 -1.54 0.21 0.00 1.34 0.00 0.00 72.50 72.89 2ch1 s THR 365 CO -0.28 -0.21 1.72 0.58 -0.54 0.00 0.00 174.62 175.89 2ch1 h VAL 366 N 3.82 0.63 -0.60 2.29 2.07 -1.92 -1.30 116.25 121.24 2ch1 h VAL 366 Ca -0.43 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 2ch1 h VAL 366 Cb 1.19 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2ch1 h VAL 366 CO 0.44 0.07 0.17 1.56 0.02 0.00 0.00 177.57 179.83 2ch1 h GLN 367 N 0.37 0.92 -0.29 1.57 7.50 -1.96 -0.50 115.11 122.71 2ch1 h GLN 367 Ca 0.39 -0.19 -0.10 0.00 0.50 0.00 0.00 58.65 59.25 2ch1 h GLN 367 Cb 0.60 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.99 2ch1 h GLN 367 CO -0.42 0.81 -0.23 0.87 -1.50 0.00 0.00 178.83 178.36 2ch1 h LYS 368 N 0.89 0.67 -0.71 1.46 1.79 -1.66 -0.77 116.57 118.24 2ch1 h LYS 368 Ca 0.20 -0.33 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 2ch1 h LYS 368 Cb 0.28 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 2ch1 h LYS 368 CO -0.01 0.93 0.41 0.82 -1.08 0.00 0.00 179.45 180.53 2ch1 h ILE 369 N 0.42 1.21 -0.77 1.86 5.03 -1.10 0.73 117.51 124.88 2ch1 h ILE 369 Ca 0.06 -0.48 -0.05 0.00 -0.12 0.00 0.00 64.86 64.27 2ch1 h ILE 369 Cb 0.78 0.24 -0.03 0.00 -3.03 0.00 0.00 36.82 34.78 2ch1 h ILE 369 CO 0.06 0.22 0.29 1.56 -0.68 0.00 0.00 178.15 179.60 2ch1 h GLN 370 N 0.96 1.17 -0.37 2.37 1.08 -0.97 -0.81 115.11 118.54 2ch1 h GLN 370 Ca 0.25 -0.22 -0.07 0.00 -1.45 0.00 0.00 58.65 57.16 2ch1 h GLN 370 Cb -0.01 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.22 2ch1 h GLN 370 CO -0.05 0.96 -0.04 0.35 -0.95 0.00 0.00 178.83 179.10 2ch1 h PHE 371 N 1.13 0.76 -0.21 2.96 3.57 -0.82 -1.64 116.94 122.69 2ch1 h PHE 371 Ca 0.26 -0.15 0.05 0.00 3.53 0.00 0.00 57.97 61.66 2ch1 h PHE 371 Cb 0.24 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 2ch1 h PHE 371 CO 0.02 0.81 -0.14 -0.92 -2.23 0.00 0.00 178.31 175.85 2ch1 h TYR 372 N 0.50 -0.35 -0.40 0.41 3.20 -0.45 0.17 116.97 120.05 2ch1 h TYR 372 Ca 0.10 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.07 2ch1 h TYR 372 Cb 0.54 0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.93 2ch1 h TYR 372 CO 0.04 -0.21 0.03 -0.07 -1.64 0.00 0.00 178.16 176.31 2ch1 h LEU 373 N -0.13 -0.11 0.44 2.82 3.38 -1.05 0.38 115.31 121.03 2ch1 h LEU 373 Ca 0.12 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2ch1 h LEU 373 Cb 0.31 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2ch1 h LEU 373 CO -0.29 -0.02 -0.31 0.22 0.09 0.00 0.00 178.44 178.12 2ch1 h TYR 374 N 0.14 -0.83 -0.59 1.13 3.20 -0.95 -1.16 116.97 117.90 2ch1 h TYR 374 Ca 0.20 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 2ch1 h TYR 374 Cb 0.27 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 2ch1 h TYR 374 CO -0.25 -0.47 0.04 0.78 -1.64 0.00 0.00 178.16 176.62 2ch1 h GLY 375 N -0.73 1.07 0.80 1.82 0.00 -0.35 -0.44 103.07 105.23 2ch1 h GLY 375 Ca -0.04 -0.73 0.02 0.00 0.00 0.00 0.00 47.33 46.57 2ch1 h GLY 375 CO 0.02 0.68 -0.05 -2.75 0.00 0.00 0.00 176.54 174.43 2ch1 h PHE 376 N 0.92 -0.12 0.08 5.60 3.57 -0.23 -1.86 116.94 124.89 2ch1 h PHE 376 Ca 0.17 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 2ch1 h PHE 376 Cb 0.48 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2ch1 h PHE 376 CO 0.03 -0.08 -0.04 -0.22 -2.23 0.00 0.00 178.31 175.77 2ch1 h LYS 377 N -0.07 -0.10 -0.54 1.11 3.64 -0.71 0.47 116.57 120.37 2ch1 h LYS 377 Ca 0.04 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.54 2ch1 h LYS 377 Cb 0.12 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2ch1 h LYS 377 CO -0.09 0.07 0.37 0.93 -2.27 0.00 0.00 179.45 178.46 2ch1 h GLU 378 N -0.26 0.24 0.19 1.90 4.39 -1.13 0.19 114.58 120.10 2ch1 h GLU 378 Ca -0.01 -0.01 -0.32 0.00 0.34 0.00 0.00 59.36 59.36 2ch1 h GLU 378 Cb 0.22 -0.05 0.03 0.00 -0.10 0.00 0.00 28.75 28.85 2ch1 h GLU 378 CO 0.02 0.16 -1.36 0.77 -1.16 0.00 0.00 179.01 177.43 2ch1 h SER 379 N 0.25 0.84 -0.51 1.42 0.02 -0.35 -1.41 113.55 113.80 2ch1 h SER 379 Ca 0.25 -0.84 -0.02 0.00 -0.84 0.00 0.00 61.79 60.34 2ch1 h SER 379 Cb 0.67 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2ch1 h SER 379 CO -0.05 1.65 0.25 0.25 -1.14 0.00 0.00 176.83 177.78 2ch1 h LEU 380 N 0.21 0.66 0.17 5.07 6.46 -0.39 -3.03 115.31 124.46 2ch1 h LEU 380 Ca -0.22 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.41 2ch1 h LEU 380 Cb 2.05 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.81 2ch1 h LEU 380 CO 0.26 0.60 -0.08 0.50 -0.62 0.00 0.00 178.44 179.09 2ch1 h LYS 381 N 0.67 -0.22 0.00 1.25 3.64 -0.64 -0.31 116.57 120.96 2ch1 h LYS 381 Ca 0.17 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2ch1 h LYS 381 Cb 0.11 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2ch1 h LYS 381 CO -0.02 -0.04 0.00 0.00 -2.27 0.00 0.00 179.45 177.12 2ch1 n ALA 382 N -2.27 1.61 -0.03 5.00 0.00 -0.54 -3.06 120.51 121.22 2ch1 n ALA 382 Ca -0.09 0.08 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 2ch1 n ALA 382 Cb 0.17 -1.37 -0.08 0.00 0.00 0.00 0.00 19.45 18.17 2ch1 n ALA 382 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2ch1 n THR 383 N -2.18 0.39 -3.34 0.00 5.66 -1.11 -4.69 114.28 109.02 2ch1 n THR 383 Ca 0.02 -0.35 -0.26 0.00 -3.05 0.00 0.00 64.05 60.40 2ch1 n THR 383 Cb 0.21 -0.30 -0.09 0.00 -1.55 0.00 0.00 70.33 68.60 2ch1 n THR 383 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2ch1 n HIS 384 N -2.16 -0.81 0.20 1.09 8.25 -0.15 -5.00 115.22 116.64 2ch1 n HIS 384 Ca -0.10 -3.36 0.12 0.00 -0.26 0.00 0.00 57.72 54.12 2ch1 n HIS 384 Cb 0.59 0.12 0.64 0.00 1.12 0.00 0.00 29.99 32.46 2ch1 n HIS 384 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2ch1 h PRO 385 N 5.21 0.00 -0.02 -0.41 0.11 -1.77 -1.25 132.00 133.88 2ch1 h PRO 385 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2ch1 h PRO 385 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2ch1 h PRO 385 CO 0.39 0.00 -0.21 -0.25 -0.21 0.00 0.00 178.00 177.72 2ch1 n ASP 386 N -2.34 1.82 -4.77 -2.05 10.43 -1.26 -4.90 116.55 113.48 2ch1 n ASP 386 Ca -0.01 -1.43 -0.41 0.00 2.57 0.00 0.00 54.79 55.51 2ch1 n ASP 386 Cb 0.06 0.18 -0.02 0.00 1.84 0.00 0.00 41.12 43.18 2ch1 n ASP 386 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 2ch1 s TYR 387 N -2.28 2.92 -0.20 1.24 5.04 -0.47 -5.00 117.35 118.60 2ch1 s TYR 387 Ca 0.26 1.34 -0.04 0.00 -2.44 0.00 0.00 57.07 56.20 2ch1 s TYR 387 Cb 0.19 -3.77 -0.01 0.00 0.35 0.00 0.00 41.96 38.71 2ch1 s TYR 387 CO 0.45 -2.17 -0.04 0.42 -1.34 0.00 0.00 175.55 172.86 2ch1 s ILE 388 N -1.12 3.51 -2.61 3.14 1.01 -1.26 -5.04 121.20 118.84 2ch1 s ILE 388 Ca 0.50 -0.46 0.27 0.00 0.00 0.00 0.00 60.65 60.96 2ch1 s ILE 388 Cb -0.42 -2.58 0.47 0.00 0.01 0.00 0.00 42.46 39.95 2ch1 s ILE 388 CO 0.56 0.44 1.64 0.49 0.00 0.00 0.00 174.94 178.07