#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x16 s LYS 3 N 0.00 4.47 1.13 4.33 1.02 -1.26 -5.06 119.74 124.38 2x16 s LYS 3 Ca 0.00 1.36 -0.13 0.00 0.02 0.00 0.00 55.97 57.22 2x16 s LYS 3 Cb 0.00 -2.70 0.27 0.00 -0.52 0.00 0.00 37.83 34.87 2x16 s LYS 3 CO 0.00 0.17 1.04 -2.14 -0.92 0.00 0.00 175.35 173.50 2x16 s PRO 4 N -2.23 -0.66 0.05 -1.68 0.02 -1.26 -4.87 135.00 124.37 2x16 s PRO 4 Ca 0.53 0.80 -0.35 0.00 0.02 0.00 0.00 61.00 61.99 2x16 s PRO 4 Cb -0.19 -1.59 -0.14 0.00 0.02 0.00 0.00 34.50 32.60 2x16 s PRO 4 CO 0.24 -3.54 1.60 0.94 -0.33 0.00 0.00 177.00 175.91 2x16 n GLN 5 N -4.78 1.83 -1.61 5.54 7.27 -1.26 -4.94 117.38 119.43 2x16 n GLN 5 Ca 0.04 0.66 -0.31 0.00 0.07 0.00 0.00 57.00 57.46 2x16 n GLN 5 Cb 0.55 -2.41 0.05 0.00 2.41 0.00 0.00 30.24 30.84 2x16 n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2x16 s PRO 6 N 1.69 2.85 -0.07 3.69 0.04 -1.26 -4.88 135.00 137.05 2x16 s PRO 6 Ca 0.85 1.09 0.04 0.00 0.04 0.00 0.00 61.00 63.01 2x16 s PRO 6 Cb -0.78 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 31.79 2x16 s PRO 6 CO 0.45 -1.18 -0.19 0.42 0.04 0.00 0.00 177.00 176.54 2x16 s ILE 7 N -2.84 1.63 -0.23 0.56 1.01 -0.52 -1.65 121.20 119.17 2x16 s ILE 7 Ca 0.61 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 2x16 s ILE 7 Cb -0.16 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.90 2x16 s ILE 7 CO 0.50 0.47 -0.07 0.00 0.00 0.00 0.00 174.94 175.84 2x16 s ALA 8 N 0.30 2.72 -0.03 9.38 0.00 -0.52 -1.73 121.76 131.88 2x16 s ALA 8 Ca -0.12 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.60 2x16 s ALA 8 Cb -0.15 -1.64 -0.00 0.00 0.00 0.00 0.00 23.12 21.32 2x16 s ALA 8 CO 0.05 -0.56 -0.14 0.00 0.00 0.00 0.00 175.76 175.11 2x16 s ALA 9 N 1.41 1.23 -0.08 0.00 0.00 -0.09 -0.46 121.76 123.77 2x16 s ALA 9 Ca 0.04 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.46 2x16 s ALA 9 Cb -0.15 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 2x16 s ALA 9 CO -0.05 0.25 -0.18 0.00 0.00 0.00 0.00 175.76 175.78 2x16 s ALA 10 N -0.08 2.45 -0.34 0.00 0.00 0.58 0.10 121.76 124.46 2x16 s ALA 10 Ca 0.00 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.06 2x16 s ALA 10 Cb -0.08 -0.93 0.58 0.00 0.00 0.00 0.00 23.12 22.69 2x16 s ALA 10 CO 0.01 0.40 1.64 -1.71 0.00 0.00 0.00 175.76 176.09 2x16 n ASN 11 N 2.96 3.09 0.00 0.00 5.15 0.31 -0.29 115.26 126.48 2x16 n ASN 11 Ca -0.18 -3.66 0.00 0.00 -0.60 0.00 0.00 54.58 50.14 2x16 n ASN 11 Cb 0.52 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 39.06 2x16 n ASN 11 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2x16 n SER 20 N -1.05 0.00 -0.09 1.20 2.88 -1.26 -3.30 113.62 112.00 2x16 n SER 20 Ca 0.42 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.84 2x16 n SER 20 Cb 1.27 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.69 2x16 n SER 20 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2x16 h LEU 21 N 0.00 0.55 -1.90 2.46 6.46 -1.99 -2.49 115.31 118.40 2x16 h LEU 21 Ca 0.00 -0.40 -0.01 0.00 -0.12 0.00 0.00 57.88 57.35 2x16 h LEU 21 Cb 0.00 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.78 2x16 h LEU 21 CO 0.00 0.83 -0.05 -1.28 -0.62 0.00 0.00 178.44 177.31 2x16 h SER 22 N 0.28 0.00 0.26 1.25 0.87 -2.01 -0.00 113.55 114.20 2x16 h SER 22 Ca 0.06 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.46 2x16 h SER 22 Cb 0.61 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 2x16 h SER 22 CO 0.03 0.05 -0.63 -0.33 -0.53 0.00 0.00 176.83 175.42 2x16 h GLU 23 N 0.00 0.36 -0.31 2.24 3.07 -1.97 -2.66 114.58 115.30 2x16 h GLU 23 Ca -0.00 -0.26 -0.12 0.00 -0.50 0.00 0.00 59.36 58.48 2x16 h GLU 23 Cb 0.09 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 2x16 h GLU 23 CO 0.01 0.88 -0.28 1.25 -1.40 0.00 0.00 179.01 179.47 2x16 h LEU 24 N 0.26 0.79 -0.64 1.33 6.46 -0.58 -2.29 115.31 120.65 2x16 h LEU 24 Ca -0.01 -0.46 -0.13 0.00 -0.12 0.00 0.00 57.88 57.16 2x16 h LEU 24 Cb 1.17 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.87 2x16 h LEU 24 CO 0.11 1.08 -0.33 0.40 -0.62 0.00 0.00 178.44 179.07 2x16 h ILE 25 N 0.50 1.28 -0.43 4.05 2.04 -1.29 -0.66 117.51 123.01 2x16 h ILE 25 Ca 0.05 -1.48 0.05 0.00 1.00 0.00 0.00 64.86 64.49 2x16 h ILE 25 Cb 0.84 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 2x16 h ILE 25 CO 0.07 0.48 0.18 0.44 0.00 0.00 0.00 178.15 179.32 2x16 h ASP 26 N 0.59 0.22 0.21 1.72 3.32 -1.44 0.83 116.42 121.87 2x16 h ASP 26 Ca 0.06 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2x16 h ASP 26 Cb 0.85 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 2x16 h ASP 26 CO 0.07 0.16 -0.12 0.25 -1.72 0.00 0.00 179.24 177.89 2x16 h LEU 27 N 0.36 -0.29 -0.71 1.55 5.85 -1.10 -2.40 115.31 118.59 2x16 h LEU 27 Ca 0.20 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.99 2x16 h LEU 27 Cb 0.16 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 2x16 h LEU 27 CO -0.18 -0.19 0.41 -0.26 -0.34 0.00 0.00 178.44 177.88 2x16 h PHE 28 N -0.31 0.76 -0.44 1.25 0.04 -0.88 -2.15 116.94 115.21 2x16 h PHE 28 Ca -0.02 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.83 2x16 h PHE 28 Cb 0.25 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 2x16 h PHE 28 CO -0.08 0.38 0.29 -0.91 -0.60 0.00 0.00 178.31 177.40 2x16 h ASN 29 N 0.76 0.29 0.05 2.17 2.35 -0.57 -2.50 115.58 118.12 2x16 h ASN 29 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2x16 h ASN 29 Cb 0.16 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2x16 h ASN 29 CO -0.17 0.19 -0.15 -1.54 -1.65 0.00 0.00 177.43 174.10 2x16 n SER 30 N -4.47 1.83 -4.68 5.81 3.41 -0.83 -4.84 113.62 109.84 2x16 n SER 30 Ca 0.06 -1.46 -0.42 0.00 -0.26 0.00 0.00 58.87 56.78 2x16 n SER 30 Cb 0.27 0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 2x16 n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2x16 s THR 31 N -2.22 4.78 -0.06 6.66 2.01 -0.94 -5.02 115.64 120.84 2x16 s THR 31 Ca 0.29 2.01 -0.27 0.00 0.31 0.00 0.00 61.69 64.03 2x16 s THR 31 Cb 0.20 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 2x16 s THR 31 CO 0.42 -0.02 0.85 -0.44 -0.69 0.00 0.00 174.62 174.74 2x16 s SER 32 N 1.11 7.14 -0.28 3.53 0.01 -1.26 -5.02 113.70 118.94 2x16 s SER 32 Ca 0.47 1.39 0.03 0.00 1.31 0.00 0.00 55.95 59.15 2x16 s SER 32 Cb -0.18 -2.49 0.07 0.00 0.21 0.00 0.00 66.02 63.63 2x16 s SER 32 CO 0.16 -0.25 -0.07 -0.63 0.41 0.00 0.00 173.24 172.86 2x16 s ILE 33 N 1.22 2.21 0.03 1.44 1.01 -1.26 -5.01 121.20 120.84 2x16 s ILE 33 Ca 0.44 -1.80 0.32 0.00 0.00 0.00 0.00 60.65 59.61 2x16 s ILE 33 Cb -0.19 -2.39 0.38 0.00 0.01 0.00 0.00 42.46 40.28 2x16 s ILE 33 CO 0.21 -0.16 1.93 -0.55 0.00 0.00 0.00 174.94 176.36 2x16 h ASN 34 N 7.74 0.00 -2.27 3.58 -1.07 -1.95 -3.47 115.58 118.14 2x16 h ASN 34 Ca -0.16 0.00 -0.58 0.00 0.07 0.00 0.00 56.30 55.64 2x16 h ASN 34 Cb 1.04 0.00 -0.13 0.00 -2.07 0.00 0.00 38.32 37.15 2x16 h ASN 34 CO 0.48 0.01 -0.55 -1.38 0.07 0.00 0.00 177.43 176.05 2x16 s HIS 35 N -3.61 1.94 -0.27 4.14 -3.43 -1.26 -5.09 115.29 107.71 2x16 s HIS 35 Ca 0.02 -1.04 -0.29 0.00 -0.80 0.00 0.00 55.06 52.95 2x16 s HIS 35 Cb 0.08 -1.38 -0.00 0.00 -1.43 0.00 0.00 32.58 29.85 2x16 s HIS 35 CO 0.56 0.01 1.29 0.34 -2.00 0.00 0.00 174.74 174.94 2x16 s ASP 36 N -3.66 6.72 -0.30 7.38 2.15 -1.26 -4.97 116.67 122.73 2x16 s ASP 36 Ca 0.24 1.29 -0.10 0.00 0.43 0.00 0.00 52.55 54.41 2x16 s ASP 36 Cb 0.05 -2.54 0.13 0.00 -0.30 0.00 0.00 42.92 40.26 2x16 s ASP 36 CO 0.12 -1.02 0.65 0.54 -0.17 0.00 0.00 175.17 175.30 2x16 s VAL 37 N 4.21 -0.98 -0.25 1.11 0.11 -1.26 -4.39 120.40 118.95 2x16 s VAL 37 Ca 0.56 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.32 2x16 s VAL 37 Cb -0.18 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.67 2x16 s VAL 37 CO 0.21 0.00 1.34 -1.58 -3.33 0.00 0.00 175.10 171.74 2x16 s GLN 38 N 2.88 3.98 0.01 1.54 2.00 -0.66 -4.89 119.66 124.53 2x16 s GLN 38 Ca -0.06 1.42 -0.03 0.00 -2.00 0.00 0.00 55.36 54.69 2x16 s GLN 38 Cb -0.12 -3.87 -0.04 0.00 0.80 0.00 0.00 33.01 29.78 2x16 s GLN 38 CO -0.19 -1.03 0.21 0.00 -0.50 0.00 0.00 175.29 173.78 2x16 s VAL 40 N -1.37 0.16 -0.39 0.00 1.01 0.39 -0.97 120.40 119.23 2x16 s VAL 40 Ca 0.29 0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.38 2x16 s VAL 40 Cb -0.13 -0.31 0.08 0.00 0.00 0.00 0.00 36.38 36.02 2x16 s VAL 40 CO 0.20 0.18 0.20 -0.69 0.00 0.00 0.00 175.10 174.99 2x16 s VAL 41 N 1.54 3.84 -0.14 2.92 1.01 -0.67 -0.30 120.40 128.59 2x16 s VAL 41 Ca -0.02 -1.50 -0.17 0.00 0.00 0.00 0.00 61.98 60.29 2x16 s VAL 41 Cb -0.13 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2x16 s VAL 41 CO -0.03 -0.45 0.44 0.00 0.00 0.00 0.00 175.10 175.06 2x16 s ALA 42 N 1.34 3.51 0.17 5.51 0.00 0.60 -1.77 121.76 131.13 2x16 s ALA 42 Ca 0.02 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 51.73 2x16 s ALA 42 Cb -0.22 -2.62 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 2x16 s ALA 42 CO 0.01 -0.06 -0.06 -1.54 0.00 0.00 0.00 175.76 174.10 2x16 s SER 43 N 0.70 1.72 0.78 0.00 1.04 -0.91 -4.42 113.70 112.61 2x16 s SER 43 Ca 0.23 -1.09 -0.11 0.00 0.48 0.00 0.00 55.95 55.47 2x16 s SER 43 Cb -0.15 0.01 0.06 0.00 0.10 0.00 0.00 66.02 66.05 2x16 s SER 43 CO 0.09 -0.41 1.09 0.42 0.98 0.00 0.00 173.24 175.40 2x16 s THR 44 N -3.40 3.31 0.17 2.02 -4.23 -1.26 -3.81 115.64 108.44 2x16 s THR 44 Ca 0.21 0.42 -0.18 0.00 -1.18 0.00 0.00 61.69 60.96 2x16 s THR 44 Cb 0.04 -2.96 0.11 0.00 1.34 0.00 0.00 72.50 71.03 2x16 s THR 44 CO 0.03 -0.56 1.63 0.15 -0.54 0.00 0.00 174.62 175.34 2x16 h PHE 45 N -1.14 -0.48 0.00 3.99 3.57 -1.97 -2.67 116.94 118.24 2x16 h PHE 45 Ca -0.45 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2x16 h PHE 45 Cb 1.24 0.28 0.00 0.00 2.79 0.00 0.00 35.95 40.26 2x16 h PHE 45 CO 0.55 -0.28 0.00 -0.39 -2.23 0.00 0.00 178.31 175.97 2x16 h VAL 46 N -0.11 0.00 -0.11 1.41 -1.51 -2.04 -2.08 116.25 111.80 2x16 h VAL 46 Ca 0.21 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 2x16 h VAL 46 Cb 0.43 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 2x16 h VAL 46 CO -0.50 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 177.25 2x16 n HIS 47 N -2.55 0.12 0.17 5.19 8.25 -1.02 -4.64 115.22 120.75 2x16 n HIS 47 Ca 0.01 -0.06 -0.14 0.00 -0.26 0.00 0.00 57.72 57.27 2x16 n HIS 47 Cb 0.25 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.28 2x16 n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2x16 h LEU 48 N 4.56 -0.34 -0.49 2.41 3.38 -1.22 -1.91 115.31 121.71 2x16 h LEU 48 Ca 0.00 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2x16 h LEU 48 Cb 0.98 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 2x16 h LEU 48 CO 0.00 -0.16 0.28 0.00 0.09 0.00 0.00 178.44 178.65 2x16 h ALA 49 N 0.19 0.63 -0.18 1.53 0.00 -1.82 0.14 119.26 119.74 2x16 h ALA 49 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2x16 h ALA 49 Cb 0.37 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2x16 h ALA 49 CO 0.07 -0.04 0.10 1.98 0.00 0.00 0.00 179.25 181.36 2x16 h MET 50 N 0.55 0.26 -0.90 0.00 1.85 -1.86 0.54 114.93 115.38 2x16 h MET 50 Ca 0.20 -0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.28 2x16 h MET 50 Cb 0.05 -0.05 -0.05 0.00 0.43 0.00 0.00 31.60 31.99 2x16 h MET 50 CO -0.11 0.26 0.59 1.15 -0.40 0.00 0.00 176.91 178.40 2x16 h THR 51 N 0.19 1.22 -0.12 -0.77 2.02 -0.94 -0.46 112.91 114.06 2x16 h THR 51 Ca 0.06 -0.41 -0.12 0.00 0.77 0.00 0.00 66.41 66.71 2x16 h THR 51 Cb 0.08 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.38 2x16 h THR 51 CO -0.01 0.22 -0.44 0.50 0.37 0.00 0.00 175.52 176.16 2x16 h LYS 52 N 1.20 0.28 -0.09 6.66 3.64 -0.68 0.73 116.57 128.32 2x16 h LYS 52 Ca 0.33 -0.14 -0.17 0.00 -1.27 0.00 0.00 60.65 59.40 2x16 h LYS 52 Cb -0.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2x16 h LYS 52 CO -0.08 0.67 -0.67 1.05 -2.27 0.00 0.00 179.45 178.15 2x16 h GLU 53 N 0.23 0.36 0.03 1.90 4.11 -0.26 -3.37 114.58 117.59 2x16 h GLU 53 Ca 0.02 -0.27 -0.35 0.00 0.07 0.00 0.00 59.36 58.82 2x16 h GLU 53 Cb 0.88 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.13 2x16 h GLU 53 CO 0.07 0.90 -2.12 0.54 0.07 0.00 0.00 179.01 178.47 2x16 n ARG 54 N -3.86 0.68 -2.79 1.06 5.12 -0.24 -4.83 116.66 111.81 2x16 n ARG 54 Ca -0.03 0.18 -0.42 0.00 -1.93 0.00 0.00 57.85 55.64 2x16 n ARG 54 Cb 0.67 -1.65 -0.03 0.00 -1.16 0.00 0.00 32.46 30.29 2x16 n ARG 54 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2x16 s LEU 55 N -6.29 4.06 0.00 0.55 2.96 0.23 -4.88 118.68 115.31 2x16 s LEU 55 Ca -0.17 1.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.79 2x16 s LEU 55 Cb 0.07 -3.33 0.00 0.00 0.50 0.00 0.00 46.19 43.44 2x16 s LEU 55 CO 0.76 -0.65 0.47 -1.54 -1.32 0.00 0.00 176.35 174.08 2x16 n SER 56 N 6.29 0.76 -4.65 3.68 3.41 -1.26 -4.85 113.62 117.00 2x16 n SER 56 Ca 0.08 -1.21 -0.43 0.00 -0.26 0.00 0.00 58.87 57.05 2x16 n SER 56 Cb 0.47 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 2x16 n SER 56 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2x16 s HIS 57 N -0.21 2.07 -0.95 7.33 5.04 -1.26 -4.84 115.29 122.46 2x16 s HIS 57 Ca 0.00 0.37 0.15 0.00 -1.54 0.00 0.00 55.06 54.04 2x16 s HIS 57 Cb 0.00 -3.90 0.62 0.00 0.04 0.00 0.00 32.58 29.34 2x16 s HIS 57 CO 0.00 -3.41 1.46 -0.35 -2.34 0.00 0.00 174.74 170.10 2x16 n PRO 58 N 7.26 0.02 -0.06 2.88 -0.04 -1.26 -0.90 135.00 142.90 2x16 n PRO 58 Ca 0.18 0.28 0.09 0.00 -0.04 0.00 0.00 63.50 64.01 2x16 n PRO 58 Cb 0.44 -1.53 0.39 0.00 -0.04 0.00 0.00 33.50 32.75 2x16 n PRO 58 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2x16 n LYS 59 N -1.56 1.49 -4.40 0.54 5.02 -1.26 -4.85 118.16 113.13 2x16 n LYS 59 Ca 0.03 -0.74 -0.30 0.00 -2.02 0.00 0.00 58.31 55.28 2x16 n LYS 59 Cb 0.17 -1.33 -0.11 0.00 -0.02 0.00 0.00 35.03 33.73 2x16 n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2x16 s PHE 60 N -1.84 2.65 0.08 2.13 0.40 -0.07 -0.71 117.98 120.62 2x16 s PHE 60 Ca 0.29 -0.20 0.05 0.00 -0.60 0.00 0.00 56.93 56.47 2x16 s PHE 60 Cb 0.15 -1.44 -0.03 0.00 0.51 0.00 0.00 43.02 42.21 2x16 s PHE 60 CO 0.23 0.36 -0.14 0.14 0.70 0.00 0.00 175.22 176.51 2x16 s VAL 61 N -1.08 1.09 0.09 -0.44 -7.23 -0.14 -4.90 120.40 107.79 2x16 s VAL 61 Ca 0.18 -1.35 -0.21 0.00 -1.81 0.00 0.00 61.98 58.79 2x16 s VAL 61 Cb -0.11 -1.10 -0.07 0.00 0.56 0.00 0.00 36.38 35.66 2x16 s VAL 61 CO 0.10 -0.27 0.63 -0.63 -0.31 0.00 0.00 175.10 174.62 2x16 s ILE 62 N -1.41 4.66 0.09 -0.62 1.09 -1.26 -1.66 121.20 122.08 2x16 s ILE 62 Ca -0.01 1.36 0.09 0.00 -1.10 0.00 0.00 60.65 60.99 2x16 s ILE 62 Cb -0.09 -3.97 -0.04 0.00 -1.06 0.00 0.00 42.46 37.30 2x16 s ILE 62 CO 0.02 0.53 -0.19 0.00 -0.10 0.00 0.00 174.94 175.19 2x16 s ALA 63 N -0.99 2.61 0.77 9.38 0.00 -0.73 -3.75 121.76 129.05 2x16 s ALA 63 Ca 0.31 -1.31 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 2x16 s ALA 63 Cb -0.20 -0.64 0.12 0.00 0.00 0.00 0.00 23.12 22.40 2x16 s ALA 63 CO 0.21 0.58 1.07 0.00 0.00 0.00 0.00 175.76 177.62 2x16 s ALA 64 N -1.06 3.19 -0.04 0.00 0.00 -0.21 -2.15 121.76 121.49 2x16 s ALA 64 Ca 0.16 -1.36 0.02 0.00 0.00 0.00 0.00 51.96 50.78 2x16 s ALA 64 Cb -0.10 -2.36 0.01 0.00 0.00 0.00 0.00 23.12 20.67 2x16 s ALA 64 CO 0.08 -1.63 -0.08 -0.65 0.00 0.00 0.00 175.76 173.48 2x16 s GLN 65 N -5.34 1.11 0.00 0.00 -0.21 -1.25 -1.09 119.66 112.89 2x16 s GLN 65 Ca 0.66 -0.25 0.00 0.00 0.02 0.00 0.00 55.36 55.79 2x16 s GLN 65 Cb -0.07 -1.01 0.00 0.00 1.00 0.00 0.00 33.01 32.93 2x16 s GLN 65 CO 0.46 0.00 0.00 0.09 -2.12 0.00 0.00 175.29 173.73 2x16 n ASN 66 N 3.77 0.00 -4.60 5.90 5.03 -0.52 -4.91 115.26 119.93 2x16 n ASN 66 Ca -0.23 0.00 -0.47 0.00 0.87 0.00 0.00 54.58 54.75 2x16 n ASN 66 Cb 0.52 -0.80 -0.03 0.00 -1.02 0.00 0.00 39.78 38.45 2x16 n ASN 66 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2x16 n ALA 67 N 0.54 -0.22 -0.95 5.41 0.00 -1.26 -4.86 120.51 119.17 2x16 n ALA 67 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2x16 n ALA 67 Cb 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.37 2x16 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x16 n GLY 68 N 1.87 -1.40 3.68 0.00 0.00 -1.26 -4.97 105.19 103.11 2x16 n GLY 68 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2x16 n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x16 s ASN 69 N -0.03 5.80 0.23 1.61 3.84 -1.26 -4.93 114.94 120.19 2x16 s ASN 69 Ca 0.00 0.15 -0.10 0.00 0.21 0.00 0.00 52.86 53.11 2x16 s ASN 69 Cb 0.00 -1.98 0.34 0.00 -0.55 0.00 0.00 41.25 39.06 2x16 s ASN 69 CO 0.00 0.20 1.62 0.00 -2.79 0.00 0.00 177.10 176.13 2x16 h ALA 70 N 6.48 0.58 -0.42 1.71 0.00 -1.97 0.76 119.26 126.40 2x16 h ALA 70 Ca -0.40 0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2x16 h ALA 70 Cb 1.17 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2x16 h ALA 70 CO 0.70 -0.42 -0.17 -0.44 0.00 0.00 0.00 179.25 178.92 2x16 h ASP 71 N 0.03 0.88 0.09 0.00 3.32 -1.98 -0.74 116.42 118.02 2x16 h ASP 71 Ca 0.37 -0.39 0.01 0.00 0.02 0.00 0.00 57.03 57.04 2x16 h ASP 71 Cb 0.60 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2x16 h ASP 71 CO -0.71 1.08 -0.16 0.00 -1.72 0.00 0.00 179.24 177.73 2x16 h ALA 72 N 0.83 -0.26 -0.47 3.45 0.00 -1.68 -1.02 119.26 120.12 2x16 h ALA 72 Ca 0.10 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2x16 h ALA 72 Cb 0.73 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 2x16 h ALA 72 CO 0.06 -0.68 0.16 -0.07 0.00 0.00 0.00 179.25 178.71 2x16 h LEU 80 N -0.31 0.14 -0.77 0.00 3.38 -0.85 -1.18 115.31 115.72 2x16 h LEU 80 Ca 0.02 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.18 2x16 h LEU 80 Cb 0.33 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 2x16 h LEU 80 CO -0.09 0.11 0.38 0.00 0.09 0.00 0.00 178.44 178.93 2x16 h ALA 81 N 1.32 1.11 -0.12 1.53 0.00 -0.86 -1.14 119.26 121.10 2x16 h ALA 81 Ca 0.23 0.08 -0.21 0.00 0.00 0.00 0.00 54.91 55.01 2x16 h ALA 81 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2x16 h ALA 81 CO -0.24 -0.09 -0.76 0.77 0.00 0.00 0.00 179.25 178.93 2x16 h SER 82 N 0.59 0.75 -0.52 0.00 0.02 -0.48 -1.24 113.55 112.67 2x16 h SER 82 Ca 0.40 -0.49 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2x16 h SER 82 Cb 0.52 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 2x16 h SER 82 CO -0.33 1.27 0.33 -0.07 -1.14 0.00 0.00 176.83 176.89 2x16 h LEU 83 N 0.43 0.56 -0.34 5.07 3.38 -0.92 0.42 115.31 123.90 2x16 h LEU 83 Ca -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2x16 h LEU 83 Cb 1.37 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2x16 h LEU 83 CO 0.15 0.40 0.12 0.50 0.09 0.00 0.00 178.44 179.70 2x16 h LYS 84 N 0.67 0.52 -0.82 1.13 1.63 -1.10 0.12 116.57 118.72 2x16 h LYS 84 Ca 0.20 -0.10 0.04 0.00 -0.85 0.00 0.00 60.65 59.94 2x16 h LYS 84 Cb -0.04 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.46 2x16 h LYS 84 CO -0.06 0.53 0.54 0.22 -3.45 0.00 0.00 179.45 177.22 2x16 h ASP 85 N 0.40 0.85 0.39 4.20 3.58 -0.90 0.99 116.42 125.93 2x16 h ASP 85 Ca 0.11 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2x16 h ASP 85 Cb 0.21 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2x16 h ASP 85 CO -0.01 0.58 0.00 0.33 -2.88 0.00 0.00 179.24 177.26 2x16 n PHE 86 N -4.46 0.00 -0.41 0.28 7.35 0.14 -4.87 117.46 115.49 2x16 n PHE 86 Ca 0.11 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.80 2x16 n PHE 86 Cb 0.14 -0.26 0.00 0.00 0.35 0.00 0.00 39.48 39.70 2x16 n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2x16 n GLY 87 N 0.61 0.76 3.59 7.13 0.00 0.34 -5.05 105.19 112.58 2x16 n GLY 87 Ca 0.11 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 2x16 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x16 s VAL 88 N -2.00 5.04 -1.03 1.61 1.01 0.34 -4.94 120.40 120.43 2x16 s VAL 88 Ca 0.00 0.63 0.10 0.00 0.00 0.00 0.00 61.98 62.72 2x16 s VAL 88 Cb 0.00 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.51 2x16 s VAL 88 CO 0.00 -0.06 0.68 0.59 0.00 0.00 0.00 175.10 176.32 2x16 n ASN 89 N 5.65 1.37 -4.40 3.32 5.03 -1.26 -3.61 115.26 121.35 2x16 n ASN 89 Ca -0.04 -1.19 -0.27 0.00 0.87 0.00 0.00 54.58 53.95 2x16 n ASN 89 Cb 0.49 0.37 -0.12 0.00 -1.02 0.00 0.00 39.78 39.50 2x16 n ASN 89 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2x16 s TRP 90 N -1.28 2.25 -0.05 3.10 0.52 -1.25 -0.03 118.94 122.20 2x16 s TRP 90 Ca 0.09 -0.37 -0.16 0.00 0.02 0.00 0.00 56.10 55.68 2x16 s TRP 90 Cb 0.08 -1.14 0.03 0.00 -1.15 0.00 0.00 33.47 31.29 2x16 s TRP 90 CO 0.23 0.44 0.36 -1.50 0.02 0.00 0.00 176.95 176.50 2x16 s ILE 91 N -1.54 0.04 -0.11 2.03 2.07 -0.76 -1.05 121.20 121.88 2x16 s ILE 91 Ca 0.18 -0.31 -0.02 0.00 -1.41 0.00 0.00 60.65 59.09 2x16 s ILE 91 Cb -0.08 -0.63 -0.03 0.00 0.13 0.00 0.00 42.46 41.85 2x16 s ILE 91 CO 0.08 -0.17 -0.05 -0.69 -1.91 0.00 0.00 174.94 172.20 2x16 s VAL 92 N -0.93 3.80 0.04 4.00 1.01 -0.25 -1.34 120.40 126.73 2x16 s VAL 92 Ca -0.10 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.49 2x16 s VAL 92 Cb -0.04 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 2x16 s VAL 92 CO 0.04 0.55 -0.08 -0.76 0.00 0.00 0.00 175.10 174.85 2x16 s LEU 93 N -0.21 2.25 0.00 3.92 1.43 -0.49 -1.44 118.68 124.14 2x16 s LEU 93 Ca 0.03 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2x16 s LEU 93 Cb -0.13 -0.15 0.00 0.00 0.03 0.00 0.00 46.19 45.94 2x16 s LEU 93 CO 0.03 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.01 2x16 n GLY 94 N 1.50 0.44 3.42 -3.19 0.00 -1.26 -0.74 105.19 105.37 2x16 n GLY 94 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 2x16 n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2x16 n HIS 95 N -2.63 -1.16 -0.22 1.61 -0.00 -1.26 -4.51 115.22 107.04 2x16 n HIS 95 Ca 0.00 0.44 -0.03 0.00 0.46 0.00 0.00 57.72 58.59 2x16 n HIS 95 Cb 0.10 -1.90 0.03 0.00 -0.12 0.00 0.00 29.99 28.11 2x16 n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2x16 h SER 96 N 0.16 -0.98 0.49 0.26 4.64 -1.94 0.83 113.55 117.01 2x16 h SER 96 Ca -0.45 0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.07 2x16 h SER 96 Cb 1.41 0.53 -0.00 0.00 -0.31 0.00 0.00 62.40 64.02 2x16 h SER 96 CO 0.46 -0.28 -0.11 1.05 -0.87 0.00 0.00 176.83 177.08 2x16 h GLU 97 N -0.10 0.00 -0.93 4.77 9.09 -1.97 -1.14 114.58 124.31 2x16 h GLU 97 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.69 2x16 h GLU 97 Cb 0.54 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.59 2x16 h GLU 97 CO -0.70 0.11 0.60 0.00 0.05 0.00 0.00 179.01 179.07 2x16 h ARG 98 N 0.00 1.24 0.00 1.06 2.47 -1.13 0.42 114.38 118.44 2x16 h ARG 98 Ca -0.00 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 2x16 h ARG 98 Cb 0.39 -0.27 -0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2x16 h ARG 98 CO 0.01 0.84 -0.11 0.00 0.56 0.00 0.00 179.97 181.27 2x16 h ARG 99 N 1.27 0.00 0.00 0.04 3.08 -1.26 -0.73 114.38 116.78 2x16 h ARG 99 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 2x16 h ARG 99 Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2x16 h ARG 99 CO -0.07 0.60 -0.02 -2.67 -1.07 0.00 0.00 179.97 176.74 2x16 n TRP 100 N -4.66 0.59 0.02 3.04 4.27 -0.54 -3.21 117.44 116.95 2x16 n TRP 100 Ca -0.08 0.17 -0.02 0.00 -3.89 0.00 0.00 57.50 53.69 2x16 n TRP 100 Cb 0.31 -0.77 -0.01 0.00 -1.36 0.00 0.00 31.31 29.48 2x16 n TRP 100 CO 0.00 0.00 0.00 0.98 -2.29 0.00 0.00 177.69 176.38 2x16 n TYR 101 N -1.98 0.00 0.25 -2.67 9.36 0.08 -4.79 117.16 117.40 2x16 n TYR 101 Ca 0.06 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.42 2x16 n TYR 101 Cb 0.40 -0.07 0.39 0.00 -0.63 0.00 0.00 39.34 39.43 2x16 n TYR 101 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2x16 h TYR 102 N -0.09 0.00 0.00 2.98 0.05 -1.33 -3.48 116.97 115.10 2x16 h TYR 102 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 2x16 h TYR 102 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 2x16 h TYR 102 CO -0.03 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.49 2x16 n GLY 103 N 0.65 0.65 3.64 3.88 0.00 -0.69 -4.99 105.19 108.32 2x16 n GLY 103 Ca 0.03 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 2x16 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x16 s GLU 104 N -1.08 3.88 0.92 1.61 2.02 -0.37 -4.98 118.70 120.70 2x16 s GLU 104 Ca 0.00 2.09 -0.14 0.00 0.02 0.00 0.00 54.97 56.93 2x16 s GLU 104 Cb 0.00 -4.10 0.15 0.00 0.10 0.00 0.00 34.13 30.28 2x16 s GLU 104 CO 0.00 -1.22 1.22 0.95 0.02 0.00 0.00 175.26 176.23 2x16 s THR 105 N 5.19 1.97 0.29 3.63 -4.23 -1.26 -4.26 115.64 116.97 2x16 s THR 105 Ca 0.80 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.36 2x16 s THR 105 Cb -0.33 -2.91 0.28 0.00 1.34 0.00 0.00 72.50 70.89 2x16 s THR 105 CO 0.33 0.00 1.75 0.78 -0.54 0.00 0.00 174.62 176.94 2x16 h ASN 106 N -1.48 0.64 0.13 3.99 2.35 -1.94 -1.69 115.58 117.57 2x16 h ASN 106 Ca -0.46 0.11 -0.28 0.00 -0.55 0.00 0.00 56.30 55.11 2x16 h ASN 106 Cb 1.29 0.01 0.02 0.00 0.05 0.00 0.00 38.32 39.69 2x16 h ASN 106 CO 0.52 0.20 -1.16 -0.33 -1.65 0.00 0.00 177.43 175.00 2x16 h GLU 107 N 0.65 0.62 -0.26 0.81 3.07 -1.92 -1.29 114.58 116.26 2x16 h GLU 107 Ca 0.56 -0.77 0.03 0.00 -0.50 0.00 0.00 59.36 58.68 2x16 h GLU 107 Cb 0.91 0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 29.03 2x16 h GLU 107 CO -0.41 1.34 0.07 0.82 -1.40 0.00 0.00 179.01 179.43 2x16 h ILE 108 N 0.30 0.91 -0.56 3.13 2.04 -1.86 0.34 117.51 121.81 2x16 h ILE 108 Ca -0.16 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 2x16 h ILE 108 Cb 1.83 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 2x16 h ILE 108 CO 0.22 0.03 0.24 0.58 0.00 0.00 0.00 178.15 179.22 2x16 h VAL 109 N 0.18 1.22 -0.42 1.67 2.07 -1.33 -1.08 116.25 118.55 2x16 h VAL 109 Ca 0.11 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 67.05 2x16 h VAL 109 Cb 0.10 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 2x16 h VAL 109 CO -0.13 0.26 0.02 0.00 0.02 0.00 0.00 177.57 177.74 2x16 h ALA 110 N 1.08 0.41 -0.42 1.67 0.00 -0.93 -0.08 119.26 121.00 2x16 h ALA 110 Ca 0.19 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 2x16 h ALA 110 Cb 0.18 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2x16 h ALA 110 CO -0.02 -0.37 -0.10 -0.44 0.00 0.00 0.00 179.25 178.32 2x16 h ASP 111 N 0.14 0.72 -0.13 0.00 3.32 -0.65 -0.64 116.42 119.18 2x16 h ASP 111 Ca 0.21 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2x16 h ASP 111 Cb 0.29 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2x16 h ASP 111 CO -0.33 0.85 0.06 0.11 -1.72 0.00 0.00 179.24 178.21 2x16 h LYS 112 N 0.67 0.18 -0.35 3.56 1.57 -0.56 -0.07 116.57 121.58 2x16 h LYS 112 Ca 0.12 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.93 2x16 h LYS 112 Cb 0.55 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 2x16 h LYS 112 CO 0.03 0.24 -0.02 0.28 -0.57 0.00 0.00 179.45 179.42 2x16 h VAL 113 N 0.08 0.72 -0.45 0.50 2.07 -0.69 -0.25 116.25 118.22 2x16 h VAL 113 Ca 0.04 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2x16 h VAL 113 Cb 0.12 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2x16 h VAL 113 CO -0.01 0.01 0.27 0.00 0.02 0.00 0.00 177.57 177.87 2x16 h ALA 114 N 1.31 0.58 -0.27 1.67 0.00 -0.97 -1.27 119.26 120.31 2x16 h ALA 114 Ca 0.17 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2x16 h ALA 114 Cb 0.24 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2x16 h ALA 114 CO -0.30 0.07 0.02 0.00 0.00 0.00 0.00 179.25 179.04 2x16 h ALA 115 N 1.12 0.25 -0.64 0.00 0.00 -0.44 -1.38 119.26 118.18 2x16 h ALA 115 Ca 0.16 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2x16 h ALA 115 Cb 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2x16 h ALA 115 CO -0.03 -0.40 0.40 0.00 0.00 0.00 0.00 179.25 179.22 2x16 h ALA 116 N 1.22 0.82 -0.49 0.00 0.00 -0.82 -1.72 119.26 118.26 2x16 h ALA 116 Ca 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2x16 h ALA 116 Cb 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2x16 h ALA 116 CO -0.20 0.28 0.19 0.28 0.00 0.00 0.00 179.25 179.80 2x16 h VAL 117 N 0.87 1.21 0.00 0.00 2.07 -0.98 -0.30 116.25 119.12 2x16 h VAL 117 Ca 0.23 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 2x16 h VAL 117 Cb -0.04 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2x16 h VAL 117 CO -0.04 0.25 -0.01 0.00 0.02 0.00 0.00 177.57 177.79 2x16 h ALA 118 N 1.03 1.89 -0.39 1.67 0.00 -0.97 -1.51 119.26 120.99 2x16 h ALA 118 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2x16 h ALA 118 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2x16 h ALA 118 CO -0.01 0.01 0.00 0.43 0.00 0.00 0.00 179.25 179.68 2x16 n SER 119 N -4.39 2.41 0.00 0.00 7.64 -0.67 -4.92 113.62 113.69 2x16 n SER 119 Ca -0.03 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.92 2x16 n SER 119 Cb 0.09 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2x16 n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x16 n GLY 120 N 1.25 0.81 3.87 0.23 0.00 -0.57 -4.95 105.19 105.82 2x16 n GLY 120 Ca 0.16 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 2x16 n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x16 s PHE 121 N -2.00 3.44 -0.19 1.61 0.40 -0.21 -4.93 117.98 116.12 2x16 s PHE 121 Ca 0.00 1.04 -0.17 0.00 -0.60 0.00 0.00 56.93 57.20 2x16 s PHE 121 Cb 0.00 -2.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 2x16 s PHE 121 CO 0.00 -0.01 0.46 -1.64 0.70 0.00 0.00 175.22 174.73 2x16 s MET 122 N -3.55 4.21 -0.21 0.44 -1.94 0.95 -4.46 119.30 114.74 2x16 s MET 122 Ca 0.51 0.33 -0.05 0.00 -1.71 0.00 0.00 55.69 54.77 2x16 s MET 122 Cb -0.10 -3.53 -0.02 0.00 2.01 0.00 0.00 34.83 33.19 2x16 s MET 122 CO 0.27 -0.05 -0.01 0.08 -0.01 0.00 0.00 175.02 175.31 2x16 s VAL 123 N 1.31 3.78 -0.63 -6.03 1.01 0.49 -1.83 120.40 118.49 2x16 s VAL 123 Ca 0.22 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.62 2x16 s VAL 123 Cb -0.15 -2.72 0.08 0.00 0.00 0.00 0.00 36.38 33.59 2x16 s VAL 123 CO 0.09 0.42 0.88 -0.63 0.00 0.00 0.00 175.10 175.86 2x16 s ILE 124 N 1.20 4.48 -0.23 2.22 1.01 -0.45 -0.09 121.20 129.34 2x16 s ILE 124 Ca 0.03 -0.54 -0.16 0.00 0.00 0.00 0.00 60.65 59.98 2x16 s ILE 124 Cb -0.15 -4.62 -0.04 0.00 0.01 0.00 0.00 42.46 37.67 2x16 s ILE 124 CO 0.01 -1.35 0.43 0.00 0.00 0.00 0.00 174.94 174.03 2x16 s ALA 125 N 3.64 3.56 -0.00 9.38 0.00 0.16 -1.40 121.76 137.11 2x16 s ALA 125 Ca 0.19 -0.59 -0.10 0.00 0.00 0.00 0.00 51.96 51.45 2x16 s ALA 125 Cb -0.19 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 2x16 s ALA 125 CO 0.09 -0.48 0.32 0.00 0.00 0.00 0.00 175.76 175.69 2x16 s ILE 127 N -1.19 0.12 0.00 0.00 -4.36 -0.58 -4.60 121.20 110.60 2x16 s ILE 127 Ca 0.25 -1.64 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 2x16 s ILE 127 Cb -0.14 -1.79 0.00 0.00 1.25 0.00 0.00 42.46 41.78 2x16 s ILE 127 CO 0.13 -0.55 0.00 0.61 0.24 0.00 0.00 174.94 175.37 2x16 n GLY 128 N -0.08 3.39 3.71 6.27 0.00 -1.26 -0.60 105.19 116.61 2x16 n GLY 128 Ca -0.09 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 2x16 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2x16 s GLU 129 N -2.00 2.55 0.77 1.61 1.03 -1.25 -4.85 118.70 116.56 2x16 s GLU 129 Ca 0.00 -1.09 -0.10 0.00 0.03 0.00 0.00 54.97 53.81 2x16 s GLU 129 Cb 0.00 -2.42 0.07 0.00 -0.80 0.00 0.00 34.13 30.99 2x16 s GLU 129 CO 0.00 0.44 1.12 0.95 -1.33 0.00 0.00 175.26 176.44 2x16 s THR 130 N -1.85 2.11 0.16 1.83 -4.23 -1.26 -1.76 115.64 110.64 2x16 s THR 130 Ca 0.29 -0.11 -0.17 0.00 -1.18 0.00 0.00 61.69 60.52 2x16 s THR 130 Cb -0.09 -3.00 0.08 0.00 1.34 0.00 0.00 72.50 70.83 2x16 s THR 130 CO 0.20 0.00 1.67 0.25 -0.54 0.00 0.00 174.62 176.21 2x16 h LEU 131 N -0.89 -0.36 -1.23 4.79 5.85 -1.82 0.21 115.31 121.87 2x16 h LEU 131 Ca -0.45 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 2x16 h LEU 131 Cb 1.32 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 2x16 h LEU 131 CO 0.63 -0.13 0.41 1.56 -0.34 0.00 0.00 178.44 180.58 2x16 h GLN 132 N -0.00 0.94 -0.20 1.25 7.50 -1.94 0.22 115.11 122.87 2x16 h GLN 132 Ca 0.18 -0.08 -0.09 0.00 0.50 0.00 0.00 58.65 59.16 2x16 h GLN 132 Cb 0.28 -0.20 -0.00 0.00 0.05 0.00 0.00 27.48 27.61 2x16 h GLN 132 CO -0.39 0.66 -0.24 0.93 -1.50 0.00 0.00 178.83 178.29 2x16 h GLU 133 N 0.96 0.52 -0.27 1.46 5.08 -1.74 -2.71 114.58 117.88 2x16 h GLU 133 Ca 0.25 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2x16 h GLU 133 Cb -0.03 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2x16 h GLU 133 CO -0.05 0.88 0.08 -0.09 -1.00 0.00 0.00 179.01 178.83 2x16 h ARG 134 N 0.20 0.42 -0.80 2.33 9.65 -0.07 -1.10 114.38 125.01 2x16 h ARG 134 Ca 0.03 -0.09 0.06 0.00 -1.10 0.00 0.00 59.98 58.87 2x16 h ARG 134 Cb 0.80 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.27 2x16 h ARG 134 CO 0.06 0.49 0.52 0.93 2.80 0.00 0.00 179.97 184.77 2x16 h GLU 135 N 0.26 0.87 -0.25 0.20 5.08 -0.62 -1.37 114.58 118.75 2x16 h GLU 135 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2x16 h GLU 135 Cb 0.25 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2x16 h GLU 135 CO -0.00 0.58 0.00 -1.13 -1.00 0.00 0.00 179.01 177.46 2x16 n SER 136 N -4.47 1.48 -1.20 1.42 3.41 -1.02 -4.90 113.62 108.34 2x16 n SER 136 Ca 0.11 -1.93 -0.12 0.00 -0.26 0.00 0.00 58.87 56.67 2x16 n SER 136 Cb 0.18 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 2x16 n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x16 n GLY 137 N 0.97 0.45 1.60 5.00 0.00 -0.52 -4.90 105.19 107.80 2x16 n GLY 137 Ca 0.11 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.79 2x16 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x16 n ARG 138 N -2.36 4.30 0.03 1.61 1.74 -0.42 -4.63 116.66 116.93 2x16 n ARG 138 Ca -0.13 -3.06 -0.11 0.00 -0.77 0.00 0.00 57.85 53.78 2x16 n ARG 138 Cb 0.52 -2.13 -0.04 0.00 -1.02 0.00 0.00 32.46 29.79 2x16 n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2x16 h THR 139 N 3.41 0.31 0.06 0.55 2.02 -1.84 -1.73 112.91 115.69 2x16 h THR 139 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 2x16 h THR 139 Cb 1.80 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2x16 h THR 139 CO 0.40 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 176.20 2x16 h ALA 140 N 0.37 -0.15 -0.83 6.16 0.00 -1.94 0.16 119.26 123.03 2x16 h ALA 140 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2x16 h ALA 140 Cb 0.54 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2x16 h ALA 140 CO -0.31 -0.60 0.52 -0.24 0.00 0.00 0.00 179.25 178.62 2x16 h VAL 141 N -0.18 1.23 0.48 0.00 3.04 -1.87 -1.17 116.25 117.77 2x16 h VAL 141 Ca 0.01 -0.47 -0.02 0.00 -1.01 0.00 0.00 66.70 65.21 2x16 h VAL 141 Cb 0.19 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 29.52 2x16 h VAL 141 CO -0.04 0.23 -0.23 0.58 -1.01 0.00 0.00 177.57 177.10 2x16 h VAL 142 N 1.13 0.41 -0.58 1.51 2.07 -1.06 -2.13 116.25 117.60 2x16 h VAL 142 Ca 0.30 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.40 2x16 h VAL 142 Cb -0.07 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2x16 h VAL 142 CO -0.06 0.06 0.37 0.58 0.02 0.00 0.00 177.57 178.54 2x16 h VAL 143 N -0.94 1.11 -0.19 2.57 2.07 -0.66 -1.75 116.25 118.46 2x16 h VAL 143 Ca -0.07 -0.25 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 2x16 h VAL 143 Cb 0.59 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2x16 h VAL 143 CO 0.11 0.14 -0.43 -0.07 0.02 0.00 0.00 177.57 177.34 2x16 h LEU 144 N 0.74 0.47 -1.09 2.57 3.38 -1.29 -2.18 115.31 117.92 2x16 h LEU 144 Ca 0.22 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2x16 h LEU 144 Cb -0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2x16 h LEU 144 CO -0.07 0.84 -0.03 0.74 0.09 0.00 0.00 178.44 180.01 2x16 h THR 145 N 0.37 1.22 -0.30 0.22 2.02 -1.11 0.24 112.91 115.57 2x16 h THR 145 Ca 0.03 -0.91 -0.05 0.00 0.77 0.00 0.00 66.41 66.25 2x16 h THR 145 Cb 0.90 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2x16 h THR 145 CO 0.08 0.31 -0.01 1.56 0.37 0.00 0.00 175.52 177.83 2x16 h GLN 146 N 0.58 0.53 -0.03 6.66 4.20 -0.78 -2.27 115.11 123.99 2x16 h GLN 146 Ca 0.12 -0.17 -0.19 0.00 0.06 0.00 0.00 58.65 58.46 2x16 h GLN 146 Cb 0.41 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2x16 h GLN 146 CO 0.02 0.68 -0.81 0.97 -0.67 0.00 0.00 178.83 179.02 2x16 h ILE 147 N 0.33 1.42 -0.82 2.54 2.10 -1.29 -2.83 117.51 118.95 2x16 h ILE 147 Ca 0.08 -2.33 0.09 0.00 1.08 0.00 0.00 64.86 63.78 2x16 h ILE 147 Cb 0.45 2.27 -0.07 0.00 -1.09 0.00 0.00 36.82 38.38 2x16 h ILE 147 CO 0.02 0.69 0.48 0.00 -1.08 0.00 0.00 178.15 178.26 2x16 h ALA 148 N 0.93 1.16 -0.53 0.18 0.00 -0.47 0.41 119.26 120.95 2x16 h ALA 148 Ca -0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2x16 h ALA 148 Cb 1.40 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2x16 h ALA 148 CO 0.13 0.13 0.25 0.00 0.00 0.00 0.00 179.25 179.76 2x16 h ALA 149 N 1.44 0.68 -0.12 0.00 0.00 -1.34 -1.19 119.26 118.73 2x16 h ALA 149 Ca 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2x16 h ALA 149 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2x16 h ALA 149 CO -0.23 0.25 0.07 0.82 0.00 0.00 0.00 179.25 180.16 2x16 h ILE 150 N 0.71 1.02 -0.46 0.00 2.04 -1.00 -2.79 117.51 117.02 2x16 h ILE 150 Ca 0.18 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 66.04 2x16 h ILE 150 Cb 0.12 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2x16 h ILE 150 CO -0.02 0.03 0.31 0.00 0.00 0.00 0.00 178.15 178.46 2x16 h ALA 151 N 1.05 1.87 -0.07 1.87 0.00 0.12 -2.54 119.26 121.57 2x16 h ALA 151 Ca 0.04 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2x16 h ALA 151 Cb -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2x16 h ALA 151 CO -0.02 0.06 0.06 -0.22 0.00 0.00 0.00 179.25 179.12 2x16 h LYS 152 N 0.44 0.00 -0.33 0.00 3.64 -0.93 -1.82 116.57 117.56 2x16 h LYS 152 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2x16 h LYS 152 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2x16 h LYS 152 CO -0.05 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.76 2x16 n LYS 153 N -4.24 2.45 -4.49 1.90 4.76 -0.96 -4.95 118.16 112.63 2x16 n LYS 153 Ca -0.01 -2.22 -0.29 0.00 -2.87 0.00 0.00 58.31 52.91 2x16 n LYS 153 Cb 0.16 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 31.72 2x16 n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x16 s LEU 154 N -1.53 2.35 0.36 -0.35 1.43 0.68 -4.77 118.68 116.85 2x16 s LEU 154 Ca 0.36 -0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 2x16 s LEU 154 Cb 0.22 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 2x16 s LEU 154 CO 0.31 0.20 0.63 -0.54 0.23 0.00 0.00 176.35 177.18 2x16 s LYS 155 N -1.88 3.58 0.28 1.70 -0.14 -1.26 -4.94 119.74 117.07 2x16 s LYS 155 Ca 0.14 -0.00 0.02 0.00 -1.36 0.00 0.00 55.97 54.77 2x16 s LYS 155 Cb -0.10 -2.56 0.64 0.00 -1.68 0.00 0.00 37.83 34.13 2x16 s LYS 155 CO 0.06 0.07 1.76 -0.22 -0.76 0.00 0.00 175.35 176.26 2x16 h LYS 156 N 1.02 0.63 0.00 1.68 3.64 -1.95 0.19 116.57 121.78 2x16 h LYS 156 Ca -0.48 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 2x16 h LYS 156 Cb 1.20 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2x16 h LYS 156 CO 0.63 0.42 -0.10 0.00 -2.27 0.00 0.00 179.45 178.13 2x16 h ALA 157 N 1.61 1.25 -0.03 5.00 0.00 -2.01 -2.51 119.26 122.58 2x16 h ALA 157 Ca 0.52 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 2x16 h ALA 157 Cb 0.81 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2x16 h ALA 157 CO -0.39 0.13 -0.25 -0.44 0.00 0.00 0.00 179.25 178.29 2x16 h ASP 158 N 0.00 0.05 0.00 0.00 3.32 -1.00 -2.82 116.42 115.97 2x16 h ASP 158 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2x16 h ASP 158 Cb 0.32 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2x16 h ASP 158 CO 0.01 0.31 0.10 -0.50 -1.72 0.00 0.00 179.24 177.44 2x16 h TRP 159 N 0.05 0.00 0.00 4.55 4.06 -1.49 0.43 115.95 123.55 2x16 h TRP 159 Ca 0.01 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.94 2x16 h TRP 159 Cb 0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.63 2x16 h TRP 159 CO 0.00 0.00 -0.09 0.00 -3.56 0.00 0.00 178.44 174.80 2x16 h ALA 160 N 1.78 1.25 -0.24 1.49 0.00 -1.70 -2.52 119.26 119.31 2x16 h ALA 160 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2x16 h ALA 160 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2x16 h ALA 160 CO 0.00 0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.99 2x16 n LYS 161 N -3.55 2.43 -4.41 0.00 4.76 0.15 -4.98 118.16 112.56 2x16 n LYS 161 Ca -0.02 -2.12 -0.32 0.00 -2.87 0.00 0.00 58.31 52.98 2x16 n LYS 161 Cb 0.21 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 31.81 2x16 n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2x16 s VAL 162 N -1.70 3.71 -0.03 -0.18 1.01 -0.95 -0.38 120.40 121.88 2x16 s VAL 162 Ca 0.35 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2x16 s VAL 162 Cb 0.22 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.98 2x16 s VAL 162 CO 0.31 0.36 -0.04 -0.69 0.00 0.00 0.00 175.10 175.05 2x16 s VAL 163 N -1.04 0.39 -0.20 2.92 1.01 0.87 -4.61 120.40 119.74 2x16 s VAL 163 Ca 0.18 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 2x16 s VAL 163 Cb -0.11 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 2x16 s VAL 163 CO 0.09 0.16 0.12 -0.63 0.00 0.00 0.00 175.10 174.85 2x16 s ILE 164 N 0.57 5.32 -0.23 2.22 -1.09 -0.79 0.40 121.20 127.59 2x16 s ILE 164 Ca -0.07 0.16 -0.08 0.00 -2.23 0.00 0.00 60.65 58.43 2x16 s ILE 164 Cb -0.10 -3.43 -0.03 0.00 -1.58 0.00 0.00 42.46 37.32 2x16 s ILE 164 CO -0.00 0.43 0.08 0.00 -1.23 0.00 0.00 174.94 174.21 2x16 s ALA 165 N 0.46 3.27 -0.29 9.38 0.00 0.09 -0.50 121.76 134.16 2x16 s ALA 165 Ca 0.07 -1.00 -0.18 0.00 0.00 0.00 0.00 51.96 50.85 2x16 s ALA 165 Cb -0.12 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 2x16 s ALA 165 CO -0.01 -0.28 0.51 -0.47 0.00 0.00 0.00 175.76 175.52 2x16 s TYR 166 N 1.23 3.24 -0.38 0.00 5.04 0.44 -1.52 117.35 125.39 2x16 s TYR 166 Ca 0.05 0.49 -0.08 0.00 -2.44 0.00 0.00 57.07 55.09 2x16 s TYR 166 Cb -0.14 -2.79 0.06 0.00 0.35 0.00 0.00 41.96 39.43 2x16 s TYR 166 CO 0.04 -0.36 0.18 -1.21 -1.34 0.00 0.00 175.55 172.86 2x16 s GLU 167 N 2.34 2.60 -1.00 4.97 2.02 0.23 0.89 118.70 130.75 2x16 s GLU 167 Ca 0.20 -1.32 -0.24 0.00 0.02 0.00 0.00 54.97 53.63 2x16 s GLU 167 Cb -0.15 -3.63 -0.16 0.00 0.10 0.00 0.00 34.13 30.29 2x16 s GLU 167 CO 0.11 -0.81 1.94 -2.30 0.02 0.00 0.00 175.26 174.22 2x16 n PRO 168 N 4.86 1.14 -0.31 0.39 -0.02 -1.26 -3.79 135.00 136.00 2x16 n PRO 168 Ca -0.11 -2.09 0.06 0.00 -2.02 0.00 0.00 63.50 59.35 2x16 n PRO 168 Cb 0.44 -3.54 0.26 0.00 -0.02 0.00 0.00 33.50 30.64 2x16 n PRO 168 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2x16 h VAL 169 N 5.89 0.98 0.00 -1.45 2.07 -1.81 -0.63 116.25 121.31 2x16 h VAL 169 Ca 0.21 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2x16 h VAL 169 Cb 0.89 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2x16 h VAL 169 CO 1.37 0.18 0.01 -2.67 0.02 0.00 0.00 177.57 176.47 2x16 n TRP 170 N -4.54 0.00 -1.03 1.57 4.27 -0.72 -4.64 117.44 112.35 2x16 n TRP 170 Ca 0.16 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.77 2x16 n TRP 170 Cb 0.29 -0.03 0.00 0.00 -1.36 0.00 0.00 31.31 30.21 2x16 n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2x16 n ALA 171 N -0.92 0.00 0.00 -1.67 0.00 -0.25 -4.50 120.51 113.17 2x16 n ALA 171 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2x16 n ALA 171 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2x16 n ALA 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x16 n ALA 178 N -3.00 0.00 -2.87 0.00 0.00 -1.26 -4.87 120.51 108.50 2x16 n ALA 178 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2x16 n ALA 178 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2x16 n ALA 178 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2x16 s THR 179 N -0.76 4.99 0.38 0.00 -4.23 -1.26 0.25 115.64 115.01 2x16 s THR 179 Ca 0.00 -0.75 0.18 0.00 -1.18 0.00 0.00 61.69 59.94 2x16 s THR 179 Cb 0.00 -3.51 0.38 0.00 1.34 0.00 0.00 72.50 70.71 2x16 s THR 179 CO 0.00 -0.02 1.73 -0.65 -0.54 0.00 0.00 174.62 175.15 2x16 h PRO 180 N 2.57 0.38 -0.40 3.99 0.11 -1.97 0.18 132.00 136.87 2x16 h PRO 180 Ca -0.47 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 2x16 h PRO 180 Cb 1.18 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2x16 h PRO 180 CO 0.68 0.25 -0.02 1.96 -0.21 0.00 0.00 178.00 180.67 2x16 h GLN 181 N 0.39 0.71 -0.39 1.05 7.50 -1.98 0.14 115.11 122.54 2x16 h GLN 181 Ca 0.64 -0.24 -0.01 0.00 0.50 0.00 0.00 58.65 59.55 2x16 h GLN 181 Cb 1.59 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 29.04 2x16 h GLN 181 CO -0.38 0.81 0.22 1.96 -1.50 0.00 0.00 178.83 179.95 2x16 h GLN 182 N 0.54 0.53 -0.60 1.46 4.20 -1.17 -0.61 115.11 119.46 2x16 h GLN 182 Ca 0.11 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 2x16 h GLN 182 Cb 0.50 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 2x16 h GLN 182 CO 0.02 0.42 0.10 0.00 -0.67 0.00 0.00 178.83 178.70 2x16 h ALA 183 N 1.08 0.80 -0.82 3.87 0.00 -0.96 -1.56 119.26 121.67 2x16 h ALA 183 Ca 0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2x16 h ALA 183 Cb 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 2x16 h ALA 183 CO -0.02 0.55 0.38 0.37 0.00 0.00 0.00 179.25 180.53 2x16 h GLN 184 N 0.90 1.19 -0.29 0.00 5.75 -0.57 -0.25 115.11 121.84 2x16 h GLN 184 Ca 0.18 -0.19 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 2x16 h GLN 184 Cb 0.43 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 2x16 h GLN 184 CO 0.01 0.93 0.03 1.49 -2.65 0.00 0.00 178.83 178.64 2x16 h GLU 185 N 1.17 0.49 0.28 1.69 4.81 -0.80 0.20 114.58 122.43 2x16 h GLU 185 Ca 0.28 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2x16 h GLU 185 Cb 0.14 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2x16 h GLU 185 CO -0.03 0.61 -0.23 0.00 -0.73 0.00 0.00 179.01 178.63 2x16 h ALA 186 N 0.86 -0.51 -0.98 2.92 0.00 -1.20 -1.72 119.26 118.63 2x16 h ALA 186 Ca 0.09 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2x16 h ALA 186 Cb 0.37 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 2x16 h ALA 186 CO 0.01 -0.81 0.64 0.45 0.00 0.00 0.00 179.25 179.54 2x16 h HIS 187 N -0.52 1.21 -0.32 0.00 3.86 -0.95 -1.84 115.15 116.58 2x16 h HIS 187 Ca -0.02 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.13 2x16 h HIS 187 Cb 0.46 -0.40 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 2x16 h HIS 187 CO -0.14 0.71 -0.18 0.00 0.86 0.00 0.00 177.93 179.18 2x16 h ALA 188 N 1.39 1.08 -0.05 2.45 0.00 -0.47 -1.06 119.26 122.61 2x16 h ALA 188 Ca 0.38 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2x16 h ALA 188 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2x16 h ALA 188 CO -0.12 0.56 -0.62 1.37 0.00 0.00 0.00 179.25 180.45 2x16 h LEU 189 N 0.53 0.21 -0.09 0.00 8.10 -0.84 -1.46 115.31 121.76 2x16 h LEU 189 Ca 0.09 -0.12 -0.02 0.00 0.11 0.00 0.00 57.88 57.93 2x16 h LEU 189 Cb 0.61 -0.06 -0.00 0.00 -0.44 0.00 0.00 40.66 40.77 2x16 h LEU 189 CO 0.04 0.78 -0.02 0.40 -4.11 0.00 0.00 178.44 175.54 2x16 h ILE 190 N 0.14 1.28 -0.06 0.15 2.04 -0.98 -2.83 117.51 117.24 2x16 h ILE 190 Ca -0.01 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 2x16 h ILE 190 Cb 1.13 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 2x16 h ILE 190 CO 0.09 0.26 -0.16 -0.09 0.00 0.00 0.00 178.15 178.25 2x16 h ARG 191 N -0.15 0.10 -0.47 2.37 2.43 -1.02 -1.87 114.38 115.78 2x16 h ARG 191 Ca 0.02 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 2x16 h ARG 191 Cb 0.41 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 2x16 h ARG 191 CO 0.01 0.26 -0.11 0.77 -1.51 0.00 0.00 179.97 179.38 2x16 h SER 192 N 0.09 0.91 -0.53 -3.80 0.02 -1.26 -0.17 113.55 108.81 2x16 h SER 192 Ca 0.02 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 2x16 h SER 192 Cb 0.34 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2x16 h SER 192 CO 0.02 1.06 0.20 -0.25 -1.14 0.00 0.00 176.83 176.72 2x16 h TRP 193 N 0.74 0.81 0.28 3.45 7.01 -1.22 -2.06 115.95 124.95 2x16 h TRP 193 Ca 0.12 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 2x16 h TRP 193 Cb 0.66 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 2x16 h TRP 193 CO 0.05 0.67 -0.18 0.28 -2.79 0.00 0.00 178.44 176.47 2x16 h VAL 194 N 0.71 0.61 -0.41 2.65 2.07 -1.24 -0.26 116.25 120.39 2x16 h VAL 194 Ca 0.17 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.78 2x16 h VAL 194 Cb 0.21 0.61 -0.09 0.00 -1.52 0.00 0.00 31.29 30.50 2x16 h VAL 194 CO -0.01 0.00 -0.30 -1.28 0.02 0.00 0.00 177.57 176.00 2x16 h SER 195 N -0.45 -1.00 0.19 0.57 0.87 -0.95 0.31 113.55 113.10 2x16 h SER 195 Ca -0.02 0.19 -0.21 0.00 -1.23 0.00 0.00 61.79 60.51 2x16 h SER 195 Cb 0.38 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 2x16 h SER 195 CO 0.02 -0.30 -0.81 0.77 -0.53 0.00 0.00 176.83 175.97 2x16 h SER 196 N -0.22 0.61 0.46 6.23 4.64 -1.31 -1.64 113.55 122.31 2x16 h SER 196 Ca 0.18 -0.43 -0.22 0.00 -0.47 0.00 0.00 61.79 60.85 2x16 h SER 196 Cb 0.52 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 2x16 h SER 196 CO -0.53 1.20 -1.72 0.29 -0.87 0.00 0.00 176.83 175.19 2x16 n LYS 197 N -3.83 0.64 -0.05 4.77 4.76 -0.12 -4.63 118.16 119.70 2x16 n LYS 197 Ca -0.06 0.16 -0.09 0.00 -2.87 0.00 0.00 58.31 55.46 2x16 n LYS 197 Cb 0.76 -1.72 -0.04 0.00 -1.84 0.00 0.00 35.03 32.18 2x16 n LYS 197 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2x16 n ILE 198 N -2.84 0.57 0.00 -0.18 2.08 0.10 -5.06 119.36 114.03 2x16 n ILE 198 Ca -0.15 -0.19 0.00 0.00 0.56 0.00 0.00 62.75 62.97 2x16 n ILE 198 Cb 0.93 -1.15 0.00 0.00 -0.75 0.00 0.00 39.64 38.67 2x16 n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2x16 n GLY 199 N 2.77 4.18 0.21 7.39 0.00 -0.60 -4.89 105.19 114.25 2x16 n GLY 199 Ca -0.19 -0.91 0.02 0.00 0.00 0.00 0.00 46.02 44.95 2x16 n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x16 h ALA 200 N 0.00 1.43 -0.31 4.61 0.00 -1.81 -0.97 119.26 122.21 2x16 h ALA 200 Ca 0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 2x16 h ALA 200 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2x16 h ALA 200 CO 0.00 0.41 -0.34 0.38 0.00 0.00 0.00 179.25 179.70 2x16 h ASP 201 N 0.11 0.83 -0.27 0.00 2.03 -1.94 -1.54 116.42 115.65 2x16 h ASP 201 Ca 0.02 -0.48 -0.03 0.00 -0.73 0.00 0.00 57.03 55.81 2x16 h ASP 201 Cb 0.54 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.79 2x16 h ASP 201 CO 0.04 1.15 0.06 0.58 -1.03 0.00 0.00 179.24 180.04 2x16 h VAL 202 N 0.54 1.22 -0.98 4.15 2.07 -1.87 -2.93 116.25 118.46 2x16 h VAL 202 Ca 0.04 -0.71 0.11 0.00 0.82 0.00 0.00 66.70 66.96 2x16 h VAL 202 Cb 0.92 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.79 2x16 h VAL 202 CO 0.08 0.23 0.62 0.00 0.02 0.00 0.00 177.57 178.53 2x16 h ALA 203 N 0.89 1.54 0.00 1.67 0.00 -1.09 -1.48 119.26 120.79 2x16 h ALA 203 Ca 0.08 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2x16 h ALA 203 Cb 0.29 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2x16 h ALA 203 CO 0.00 0.24 -0.64 0.78 0.00 0.00 0.00 179.25 179.63 2x16 h GLY 204 N 0.99 0.00 0.71 0.00 0.00 -1.10 -3.08 103.07 100.58 2x16 h GLY 204 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 2x16 h GLY 204 CO -0.23 0.00 -1.06 1.18 0.00 0.00 0.00 176.54 176.43 2x16 n GLU 205 N -3.65 0.40 -2.15 4.80 -0.58 -0.95 -4.50 120.64 114.02 2x16 n GLU 205 Ca -0.01 0.02 -0.42 0.00 -0.42 0.00 0.00 57.16 56.33 2x16 n GLU 205 Cb 0.66 -1.66 -0.03 0.00 -0.57 0.00 0.00 31.44 29.85 2x16 n GLU 205 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2x16 s LEU 206 N -4.38 4.31 -0.11 -4.62 2.96 -0.60 -4.82 118.68 111.43 2x16 s LEU 206 Ca 0.02 2.16 -0.30 0.00 -0.22 0.00 0.00 54.13 55.80 2x16 s LEU 206 Cb 0.13 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.25 2x16 s LEU 206 CO 0.80 -0.79 1.13 -0.13 -1.32 0.00 0.00 176.35 176.04 2x16 s ARG 207 N 2.87 4.35 -0.27 1.98 3.00 -1.26 -4.94 118.95 124.67 2x16 s ARG 207 Ca 0.67 1.55 -0.02 0.00 0.00 0.00 0.00 55.73 57.93 2x16 s ARG 207 Cb -0.32 -3.59 0.04 0.00 0.00 0.00 0.00 34.95 31.07 2x16 s ARG 207 CO 0.27 -0.46 -0.03 0.42 0.00 0.00 0.00 175.30 175.50 2x16 s ILE 208 N 2.45 2.94 0.12 1.52 1.01 -1.26 -1.89 121.20 126.09 2x16 s ILE 208 Ca 0.52 -1.20 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 2x16 s ILE 208 Cb -0.21 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.61 2x16 s ILE 208 CO 0.18 0.05 0.34 -0.76 0.00 0.00 0.00 174.94 174.74 2x16 s LEU 209 N 1.29 4.29 -0.29 2.97 1.43 0.34 -1.09 118.68 127.63 2x16 s LEU 209 Ca -0.03 0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 53.44 2x16 s LEU 209 Cb -0.18 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.83 2x16 s LEU 209 CO -0.03 0.09 0.51 -0.47 0.23 0.00 0.00 176.35 176.69 2x16 s TYR 210 N -1.59 3.24 -1.37 0.29 5.04 0.81 -0.42 117.35 123.34 2x16 s TYR 210 Ca 0.39 0.51 0.17 0.00 -2.44 0.00 0.00 57.07 55.69 2x16 s TYR 210 Cb -0.12 -2.78 0.51 0.00 0.35 0.00 0.00 41.96 39.91 2x16 s TYR 210 CO 0.24 -0.36 1.43 0.41 -1.34 0.00 0.00 175.55 175.93 2x16 n GLY 211 N 4.52 2.71 0.00 8.97 0.00 0.26 -1.70 105.19 119.94 2x16 n GLY 211 Ca -0.04 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2x16 n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x16 n GLY 212 N 1.03 -1.41 3.72 -0.02 0.00 -1.25 -4.64 105.19 102.62 2x16 n GLY 212 Ca 0.19 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 2x16 n GLY 212 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x16 s SER 213 N -1.20 7.07 -0.09 1.61 0.15 -1.26 -4.88 113.70 115.10 2x16 s SER 213 Ca 0.00 2.12 -0.13 0.00 0.70 0.00 0.00 55.95 58.64 2x16 s SER 213 Cb 0.00 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.75 2x16 s SER 213 CO 0.00 -0.43 0.34 -0.69 1.20 0.00 0.00 173.24 173.66 2x16 s VAL 214 N 0.60 0.02 0.12 4.45 1.01 -1.26 -5.01 120.40 120.33 2x16 s VAL 214 Ca 0.57 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.42 2x16 s VAL 214 Cb -0.31 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 2x16 s VAL 214 CO 0.32 -0.08 0.09 -0.46 0.00 0.00 0.00 175.10 174.97 2x16 n ASN 215 N 2.38 0.05 0.11 3.32 2.04 -1.26 -4.93 115.26 116.97 2x16 n ASN 215 Ca -0.16 -1.76 0.09 0.00 -0.44 0.00 0.00 54.58 52.32 2x16 n ASN 215 Cb 0.57 0.53 0.44 0.00 -2.53 0.00 0.00 39.78 38.79 2x16 n ASN 215 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2x16 n GLY 216 N 0.12 -0.98 0.11 4.83 0.00 -1.26 -1.35 105.19 106.66 2x16 n GLY 216 Ca 0.02 0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2x16 n GLY 216 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2x16 h LYS 217 N 0.00 0.20 0.00 1.61 2.10 -1.96 -3.41 116.57 115.10 2x16 h LYS 217 Ca 0.00 -0.33 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 2x16 h LYS 217 Cb 0.16 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2x16 h LYS 217 CO 0.00 1.16 -0.87 0.27 -2.00 0.00 0.00 179.45 178.01 2x16 n ASN 218 N -4.12 0.84 0.17 7.07 0.23 -1.13 -4.39 115.26 113.94 2x16 n ASN 218 Ca -0.21 -0.90 -0.15 0.00 -0.53 0.00 0.00 54.58 52.78 2x16 n ASN 218 Cb 0.80 1.02 -0.08 0.00 -2.08 0.00 0.00 39.78 39.45 2x16 n ASN 218 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2x16 h ALA 219 N 2.52 -0.85 -0.98 -2.53 0.00 -1.44 0.28 119.26 116.26 2x16 h ALA 219 Ca 0.00 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.91 2x16 h ALA 219 Cb 0.43 0.69 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 2x16 h ALA 219 CO 0.00 -1.03 0.62 0.07 0.00 0.00 0.00 179.25 178.91 2x16 h ARG 220 N -0.75 0.96 -0.21 0.00 -0.00 -1.78 0.12 114.38 112.73 2x16 h ARG 220 Ca -0.00 -0.06 -0.03 0.00 -0.00 0.00 0.00 59.98 59.89 2x16 h ARG 220 Cb 0.72 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.97 30.47 2x16 h ARG 220 CO -0.18 0.64 0.02 1.15 -0.00 0.00 0.00 179.97 181.60 2x16 h THR 221 N 0.99 1.23 -0.51 0.08 2.02 -1.63 -2.81 112.91 112.29 2x16 h THR 221 Ca 0.47 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 2x16 h THR 221 Cb 0.44 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 2x16 h THR 221 CO -0.23 0.24 0.26 -0.07 0.37 0.00 0.00 175.52 176.09 2x16 h LEU 222 N 0.13 0.65 -1.88 2.58 3.38 0.57 -2.79 115.31 117.95 2x16 h LEU 222 Ca 0.06 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2x16 h LEU 222 Cb 0.34 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2x16 h LEU 222 CO 0.01 0.58 -0.13 0.22 0.09 0.00 0.00 178.44 179.20 2x16 h TYR 223 N 0.68 0.00 0.00 1.13 3.20 -0.75 -1.40 116.97 119.82 2x16 h TYR 223 Ca 0.18 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2x16 h TYR 223 Cb 0.08 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 2x16 h TYR 223 CO -0.01 0.13 -0.06 1.96 -1.64 0.00 0.00 178.16 178.54 2x16 h GLN 224 N 0.00 0.00 -6.94 1.82 1.08 -1.22 -3.44 115.11 106.41 2x16 h GLN 224 Ca -0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 2x16 h GLN 224 Cb 0.30 0.00 0.14 0.00 -0.05 0.00 0.00 27.48 27.87 2x16 h GLN 224 CO 0.02 0.06 0.50 1.04 -0.95 0.00 0.00 178.83 179.49 2x16 n GLN 225 N -3.54 1.65 -0.22 1.46 1.13 -0.53 -4.87 117.38 112.47 2x16 n GLN 225 Ca -0.02 0.60 0.14 0.00 -1.94 0.00 0.00 57.00 55.78 2x16 n GLN 225 Cb 0.18 -2.45 0.45 0.00 0.11 0.00 0.00 30.24 28.52 2x16 n GLN 225 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 2x16 h ARG 226 N 1.51 0.53 -0.16 -1.09 2.43 -1.89 -3.04 114.38 112.66 2x16 h ARG 226 Ca -0.50 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 2x16 h ARG 226 Cb 1.31 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2x16 h ARG 226 CO 0.57 0.35 0.00 -0.25 -1.51 0.00 0.00 179.97 179.13 2x16 n ASP 227 N -4.52 2.76 -4.63 -3.80 9.92 -1.26 -4.94 116.55 110.08 2x16 n ASP 227 Ca 0.16 -2.42 -0.39 0.00 -0.53 0.00 0.00 54.79 51.61 2x16 n ASP 227 Cb 0.52 -0.27 -0.08 0.00 -0.64 0.00 0.00 41.12 40.65 2x16 n ASP 227 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2x16 s VAL 228 N -1.74 5.16 -0.18 2.53 1.01 -1.15 -4.64 120.40 121.38 2x16 s VAL 228 Ca 0.22 0.68 0.16 0.00 0.00 0.00 0.00 61.98 63.05 2x16 s VAL 228 Cb 0.16 -3.74 0.50 0.00 0.00 0.00 0.00 36.38 33.31 2x16 s VAL 228 CO 0.07 0.18 1.40 0.59 0.00 0.00 0.00 175.10 177.34 2x16 n ASN 229 N 5.06 3.63 0.00 3.32 4.13 -0.25 -4.85 115.26 126.30 2x16 n ASN 229 Ca -0.07 -3.08 0.00 0.00 1.68 0.00 0.00 54.58 53.11 2x16 n ASN 229 Cb 0.51 -0.54 0.00 0.00 -1.54 0.00 0.00 39.78 38.21 2x16 n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x16 n GLY 230 N -0.66 0.98 2.99 7.41 0.00 -1.26 -1.44 105.19 113.22 2x16 n GLY 230 Ca 0.22 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 2x16 n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x16 s PHE 231 N -2.89 0.38 -0.36 1.61 0.08 -0.71 -0.13 117.98 115.96 2x16 s PHE 231 Ca 0.00 -0.43 -0.00 0.00 0.12 0.00 0.00 56.93 56.62 2x16 s PHE 231 Cb 0.00 -0.25 0.10 0.00 -0.57 0.00 0.00 43.02 42.30 2x16 s PHE 231 CO 0.00 -0.12 0.11 -1.17 -0.10 0.00 0.00 175.22 173.94 2x16 s LEU 232 N -1.23 4.82 0.00 -0.37 2.96 -0.69 -0.91 118.68 123.26 2x16 s LEU 232 Ca -0.11 -1.94 0.01 0.00 -0.22 0.00 0.00 54.13 51.87 2x16 s LEU 232 Cb -0.08 -1.73 -0.00 0.00 0.50 0.00 0.00 46.19 44.87 2x16 s LEU 232 CO -0.00 -0.43 0.05 0.00 -1.32 0.00 0.00 176.35 174.64 2x16 n ALA 233 N 4.47 0.20 -2.17 5.97 0.00 0.11 -4.32 120.51 124.77 2x16 n ALA 233 Ca -0.02 -0.74 -0.39 0.00 0.00 0.00 0.00 53.44 52.28 2x16 n ALA 233 Cb 0.42 0.49 -0.06 0.00 0.00 0.00 0.00 19.45 20.30 2x16 n ALA 233 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2x16 s GLY 234 N -1.90 2.83 -0.87 0.00 0.00 -1.26 -0.53 107.32 105.59 2x16 s GLY 234 Ca 0.06 0.28 -0.25 0.00 0.00 0.00 0.00 44.72 44.81 2x16 s GLY 234 CO 0.05 0.87 2.21 -2.27 0.00 0.00 0.00 173.10 173.96 2x16 s LEU 238 N -0.77 2.92 -0.06 0.66 2.96 -1.21 -4.58 118.68 118.60 2x16 s LEU 238 Ca 0.35 -0.37 -0.11 0.00 -0.22 0.00 0.00 54.13 53.79 2x16 s LEU 238 Cb -0.22 -2.56 0.02 0.00 0.50 0.00 0.00 46.19 43.94 2x16 s LEU 238 CO 0.24 -3.57 0.26 -0.54 -1.32 0.00 0.00 176.35 171.42 2x16 s LYS 239 N 8.13 0.46 0.52 1.98 1.02 -1.26 -5.02 119.74 125.57 2x16 s LYS 239 Ca 0.83 0.07 0.46 0.00 0.02 0.00 0.00 55.97 57.35 2x16 s LYS 239 Cb -0.10 0.21 1.63 0.00 -0.52 0.00 0.00 37.83 39.06 2x16 s LYS 239 CO 0.06 -0.10 1.50 -2.30 -0.92 0.00 0.00 175.35 173.59 2x16 n PRO 240 N 2.14 -0.01 -0.00 -1.68 -0.02 -1.26 0.16 135.00 134.33 2x16 n PRO 240 Ca -0.17 1.06 0.14 0.00 -2.02 0.00 0.00 63.50 62.52 2x16 n PRO 240 Cb 0.57 -2.40 0.64 0.00 -0.02 0.00 0.00 33.50 32.29 2x16 n PRO 240 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2x16 n GLU 241 N -3.96 1.47 -0.19 -0.52 0.28 -1.26 -3.51 120.64 112.95 2x16 n GLU 241 Ca 0.42 -0.68 0.18 0.00 -0.16 0.00 0.00 57.16 56.91 2x16 n GLU 241 Cb 1.88 -1.48 0.52 0.00 1.43 0.00 0.00 31.44 33.79 2x16 n GLU 241 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2x16 h PHE 242 N 1.66 0.47 -0.43 -1.84 3.57 0.13 0.19 116.94 120.69 2x16 h PHE 242 Ca 0.00 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.60 2x16 h PHE 242 Cb 0.35 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2x16 h PHE 242 CO 0.00 0.16 0.30 0.28 -2.23 0.00 0.00 178.31 176.81 2x16 h VAL 243 N 0.38 0.90 0.00 1.41 2.07 -1.75 0.61 116.25 119.87 2x16 h VAL 243 Ca 0.41 -0.08 -0.20 0.00 0.82 0.00 0.00 66.70 67.65 2x16 h VAL 243 Cb 1.02 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2x16 h VAL 243 CO -0.13 0.04 -0.98 0.44 0.02 0.00 0.00 177.57 176.96 2x16 h ASP 244 N 0.23 0.00 -0.74 0.57 3.32 -1.23 -2.74 116.42 115.84 2x16 h ASP 244 Ca 0.20 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 2x16 h ASP 244 Cb 0.49 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 2x16 h ASP 244 CO -0.04 0.95 0.31 0.40 -1.72 0.00 0.00 179.24 179.14 2x16 h ILE 245 N 0.00 1.25 0.04 0.35 2.04 -0.69 0.29 117.51 120.80 2x16 h ILE 245 Ca -0.02 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.08 2x16 h ILE 245 Cb 1.74 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 2x16 h ILE 245 CO 0.12 0.31 -0.06 0.40 0.00 0.00 0.00 178.15 178.92 2x16 h ILE 246 N 1.05 0.85 0.00 -0.67 2.04 -0.98 -2.51 117.51 117.29 2x16 h ILE 246 Ca 0.25 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.08 2x16 h ILE 246 Cb 0.20 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2x16 h ILE 246 CO -0.02 0.00 -0.11 0.11 0.00 0.00 0.00 178.15 178.13 2x16 h LYS 247 N -0.13 0.00 0.00 2.37 1.57 -1.25 -0.96 116.57 118.17 2x16 h LYS 247 Ca 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2x16 h LYS 247 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 2x16 h LYS 247 CO -0.03 0.11 -0.02 0.00 -0.57 0.00 0.00 179.45 178.93 2x16 h ALA 248 N 1.89 1.08 -0.10 3.86 0.00 -0.48 -2.45 119.26 123.07 2x16 h ALA 248 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2x16 h ALA 248 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2x16 h ALA 248 CO 0.01 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.54 2x16 n THR 249 N -3.23 0.37 -0.20 0.00 -2.24 -0.36 -4.46 114.28 104.15 2x16 n THR 249 Ca -0.02 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2x16 n THR 249 Cb 0.17 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 2x16 n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50