#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t61 s LEU 6 N 0.00 2.47 -0.18 7.72 1.43 -1.26 0.55 118.68 129.41 1t61 s LEU 6 Ca 0.00 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 1t61 s LEU 6 Cb 0.00 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 1t61 s LEU 6 CO 0.00 0.18 -0.00 -0.22 0.23 0.00 0.00 176.35 176.54 1t61 s LEU 7 N 0.22 3.34 -0.12 1.79 2.96 0.10 -4.89 118.68 122.09 1t61 s LEU 7 Ca -0.11 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1t61 s LEU 7 Cb -0.16 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 1t61 s LEU 7 CO 0.06 0.11 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.41 1t61 s VAL 8 N 0.72 3.36 -0.03 1.68 1.01 -1.26 -0.26 120.40 125.62 1t61 s VAL 8 Ca 0.00 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1t61 s VAL 8 Cb -0.14 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 1t61 s VAL 8 CO 0.02 0.53 -0.12 -0.75 0.00 0.00 0.00 175.10 174.78 1t61 s LYS 9 N 0.07 1.22 -0.18 2.72 2.20 -0.66 -4.88 119.74 120.22 1t61 s LYS 9 Ca -0.04 -0.42 -0.02 0.00 -0.36 0.00 0.00 55.97 55.13 1t61 s LYS 9 Cb -0.14 -1.11 -0.01 0.00 -1.51 0.00 0.00 37.83 35.06 1t61 s LYS 9 CO 0.04 0.18 -0.09 -1.01 -0.36 0.00 0.00 175.35 174.11 1t61 s HIS 10 N 0.05 2.89 0.13 4.03 3.76 -1.26 -1.46 115.29 123.44 1t61 s HIS 10 Ca -0.02 -0.89 0.13 0.00 -0.15 0.00 0.00 55.06 54.13 1t61 s HIS 10 Cb -0.09 -1.99 0.27 0.00 1.11 0.00 0.00 32.58 31.88 1t61 s HIS 10 CO 0.01 -0.44 1.54 0.66 -0.85 0.00 0.00 174.74 175.66 1t61 h SER 11 N 7.56 0.00 -0.82 1.40 4.64 -1.31 -3.47 113.55 121.54 1t61 h SER 11 Ca -0.36 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.66 1t61 h SER 11 Cb 1.18 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.16 1t61 h SER 11 CO 0.59 0.62 -0.28 0.00 -0.87 0.00 0.00 176.83 176.89 1t61 n GLN 12 N -3.52 -1.04 -4.25 4.77 6.02 -1.26 -4.96 117.38 113.14 1t61 n GLN 12 Ca -0.00 1.00 -0.17 0.00 -0.01 0.00 0.00 57.00 57.82 1t61 n GLN 12 Cb 0.68 -5.14 -0.09 0.00 1.02 0.00 0.00 30.24 26.72 1t61 n GLN 12 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t61 s THR 13 N -2.56 0.00 -1.31 5.09 -4.23 -1.26 -4.12 115.64 107.24 1t61 s THR 13 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1t61 s THR 13 Cb 0.00 -2.50 0.29 0.00 1.34 0.00 0.00 72.50 71.63 1t61 s THR 13 CO 0.00 0.00 1.09 -0.90 -0.54 0.00 0.00 174.62 174.27 1t61 n ASP 14 N -1.10 2.22 -4.44 3.99 5.68 -1.26 -2.03 116.55 119.61 1t61 n ASP 14 Ca 0.06 -2.19 -0.33 0.00 -0.50 0.00 0.00 54.79 51.82 1t61 n ASP 14 Cb 0.64 -0.39 -0.13 0.00 -1.14 0.00 0.00 41.12 40.09 1t61 n ASP 14 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1t61 s GLN 15 N -1.65 3.10 0.47 0.11 -1.52 -1.26 -4.88 119.66 114.03 1t61 s GLN 15 Ca 0.20 -0.66 -0.24 0.00 -1.95 0.00 0.00 55.36 52.72 1t61 s GLN 15 Cb 0.13 -2.59 -0.07 0.00 -0.22 0.00 0.00 33.01 30.27 1t61 s GLN 15 CO 0.09 0.38 1.28 -1.21 -0.25 0.00 0.00 175.29 175.59 1t61 s GLU 16 N -0.08 3.61 0.53 2.91 2.02 -1.26 -4.57 118.70 121.86 1t61 s GLU 16 Ca -0.01 2.07 -0.18 0.00 0.02 0.00 0.00 54.97 56.86 1t61 s GLU 16 Cb -0.14 -2.47 -0.06 0.00 0.10 0.00 0.00 34.13 31.56 1t61 s GLU 16 CO 0.03 -0.76 1.05 -2.14 0.02 0.00 0.00 175.26 173.47 1t61 s PRO 17 N -2.62 3.57 -0.04 0.39 0.02 -1.26 -5.00 135.00 130.05 1t61 s PRO 17 Ca 0.64 1.32 -0.21 0.00 0.02 0.00 0.00 61.00 62.78 1t61 s PRO 17 Cb -0.36 -2.06 -0.05 0.00 0.02 0.00 0.00 34.50 32.05 1t61 s PRO 17 CO 0.44 -0.62 0.59 -1.64 -0.33 0.00 0.00 177.00 175.44 1t61 s MET 18 N -3.57 4.34 0.29 5.54 -1.94 -1.26 -4.69 119.30 118.01 1t61 s MET 18 Ca 0.66 0.70 -0.29 0.00 -1.71 0.00 0.00 55.69 55.05 1t61 s MET 18 Cb -0.17 -3.39 -0.10 0.00 2.01 0.00 0.00 34.83 33.19 1t61 s MET 18 CO 0.27 0.26 1.11 0.00 -0.01 0.00 0.00 175.02 176.65 1t61 n PRO 20 N 1.14 1.79 -1.58 0.00 -0.02 -1.26 -4.78 135.00 130.28 1t61 n PRO 20 Ca -0.01 0.63 -0.51 0.00 -2.02 0.00 0.00 63.50 61.59 1t61 n PRO 20 Cb 0.45 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.73 1t61 n PRO 20 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1t61 n VAL 21 N 0.57 0.35 0.00 -1.45 3.14 -1.26 -1.29 118.33 118.39 1t61 n VAL 21 Ca 0.08 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1t61 n VAL 21 Cb 0.33 -0.82 0.00 0.00 -1.06 0.00 0.00 33.84 32.29 1t61 n VAL 21 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1t61 n GLY 22 N 2.32 2.84 3.61 7.55 0.00 -1.26 -5.04 105.19 115.21 1t61 n GLY 22 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1t61 n GLY 22 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1t61 s MET 23 N -0.25 4.04 0.19 1.61 1.00 -0.41 -5.04 119.30 120.44 1t61 s MET 23 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 55.69 55.68 1t61 s MET 23 Cb 0.00 -3.66 -0.09 0.00 0.00 0.00 0.00 34.83 31.08 1t61 s MET 23 CO 0.00 -0.37 1.38 -0.80 0.00 0.00 0.00 175.02 175.23 1t61 s ASN 24 N 1.56 6.79 -0.30 3.03 0.01 -1.24 -4.67 114.94 120.13 1t61 s ASN 24 Ca 0.21 2.47 -0.22 0.00 -0.71 0.00 0.00 52.86 54.61 1t61 s ASN 24 Cb -0.16 -2.61 -0.00 0.00 0.41 0.00 0.00 41.25 38.89 1t61 s ASN 24 CO 0.09 -0.62 0.73 -0.75 -1.51 0.00 0.00 177.10 175.04 1t61 s LYS 25 N 0.17 3.98 0.12 -0.60 2.20 -1.26 0.51 119.74 124.85 1t61 s LYS 25 Ca 0.60 0.53 -0.10 0.00 -0.36 0.00 0.00 55.97 56.64 1t61 s LYS 25 Cb -0.39 -3.71 -0.11 0.00 -1.51 0.00 0.00 37.83 32.11 1t61 s LYS 25 CO 0.37 -0.61 1.33 -0.07 -0.36 0.00 0.00 175.35 176.01 1t61 h LEU 26 N 9.30 0.81 -7.07 5.43 4.07 -0.98 -3.48 115.31 123.39 1t61 h LEU 26 Ca -0.25 -0.55 0.33 0.00 0.08 0.00 0.00 57.88 57.49 1t61 h LEU 26 Cb 1.10 -0.24 -0.16 0.00 1.08 0.00 0.00 40.66 42.44 1t61 h LEU 26 CO 0.85 1.34 0.90 -1.66 -1.08 0.00 0.00 178.44 178.79 1t61 s TRP 27 N -3.65 -0.04 0.25 1.13 -2.14 -1.21 -5.02 118.94 108.26 1t61 s TRP 27 Ca -0.09 -0.00 0.11 0.00 2.66 0.00 0.00 56.10 58.78 1t61 s TRP 27 Cb 0.09 0.52 -0.05 0.00 -3.10 0.00 0.00 33.47 30.93 1t61 s TRP 27 CO 0.89 -0.14 -0.20 -1.12 -2.66 0.00 0.00 176.95 173.72 1t61 s SER 28 N -2.61 3.46 0.00 -2.66 0.01 -1.26 -1.01 113.70 109.63 1t61 s SER 28 Ca 0.13 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.40 1t61 s SER 28 Cb 0.03 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1t61 s SER 28 CO -0.04 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1t61 n GLY 29 N -0.40 2.29 3.55 3.44 0.00 -0.22 -4.46 105.19 109.38 1t61 n GLY 29 Ca -0.07 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 1t61 n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t61 s TYR 30 N -1.56 2.82 -0.66 1.61 1.51 0.14 -1.36 117.35 119.85 1t61 s TYR 30 Ca 0.00 -0.08 -0.26 0.00 -1.01 0.00 0.00 57.07 55.72 1t61 s TYR 30 Cb 0.00 -1.63 -0.01 0.00 -0.11 0.00 0.00 41.96 40.21 1t61 s TYR 30 CO 0.00 0.30 1.75 -1.12 -1.11 0.00 0.00 175.55 175.37 1t61 s SER 31 N -1.06 5.45 -0.23 2.29 0.01 -0.27 -1.74 113.70 118.16 1t61 s SER 31 Ca 0.14 0.09 -0.20 0.00 1.31 0.00 0.00 55.95 57.29 1t61 s SER 31 Cb -0.11 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 1t61 s SER 31 CO 0.04 -2.29 0.60 -0.22 0.41 0.00 0.00 173.24 171.78 1t61 s LEU 32 N 8.44 4.10 -0.17 2.44 2.96 0.50 -1.14 118.68 135.81 1t61 s LEU 32 Ca 0.61 0.72 -0.14 0.00 -0.22 0.00 0.00 54.13 55.10 1t61 s LEU 32 Cb -0.11 -2.82 -0.08 0.00 0.50 0.00 0.00 46.19 43.68 1t61 s LEU 32 CO 0.18 -0.29 -0.11 -0.11 -1.32 0.00 0.00 176.35 174.70 1t61 n LEU 33 N 5.29 1.85 -3.56 -0.68 7.94 -0.44 -4.63 117.00 122.78 1t61 n LEU 33 Ca -0.02 0.52 -0.08 0.00 -1.11 0.00 0.00 56.01 55.32 1t61 n LEU 33 Cb 0.50 -0.88 -0.02 0.00 0.53 0.00 0.00 43.42 43.55 1t61 n LEU 33 CO 0.43 -0.17 0.64 -0.72 -1.11 0.00 0.00 177.39 176.45 1t61 s TYR 34 N -2.38 -0.33 0.17 1.96 1.13 -1.05 -1.58 117.35 115.27 1t61 s TYR 34 Ca -0.22 0.13 0.06 0.00 -1.41 0.00 0.00 57.07 55.63 1t61 s TYR 34 Cb 0.04 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.43 1t61 s TYR 34 CO 0.37 -0.68 0.08 -0.06 -2.51 0.00 0.00 175.55 172.75 1t61 s PHE 35 N -3.29 3.03 -0.21 -3.49 0.08 -0.39 -0.49 117.98 113.21 1t61 s PHE 35 Ca 0.06 -0.07 -0.01 0.00 0.12 0.00 0.00 56.93 57.03 1t61 s PHE 35 Cb -0.01 -1.45 0.06 0.00 -0.57 0.00 0.00 43.02 41.04 1t61 s PHE 35 CO -0.07 0.52 -0.01 -2.00 -0.10 0.00 0.00 175.22 173.56 1t61 s GLU 36 N -3.07 1.15 -0.12 0.44 2.12 -0.23 -0.86 118.70 118.12 1t61 s GLU 36 Ca 0.30 -0.69 0.03 0.00 0.36 0.00 0.00 54.97 54.97 1t61 s GLU 36 Cb -0.10 -2.33 0.01 0.00 0.26 0.00 0.00 34.13 31.97 1t61 s GLU 36 CO 0.22 -0.61 -0.23 0.20 -0.54 0.00 0.00 175.26 174.30 1t61 s GLY 37 N 1.63 1.33 -1.45 -1.50 0.00 -0.70 -2.24 107.32 104.39 1t61 s GLY 37 Ca -0.03 -1.01 -0.11 0.00 0.00 0.00 0.00 44.72 43.56 1t61 s GLY 37 CO -0.07 -0.17 1.06 -1.06 0.00 0.00 0.00 173.10 172.86 1t61 n GLN 38 N 3.79 -6.62 -2.33 2.90 1.13 -1.26 -1.31 117.38 113.68 1t61 n GLN 38 Ca -0.20 0.71 -0.19 0.00 -1.94 0.00 0.00 57.00 55.39 1t61 n GLN 38 Cb 0.52 -5.68 -0.02 0.00 0.11 0.00 0.00 30.24 25.18 1t61 n GLN 38 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1t61 n GLU 39 N -4.81 -1.79 -4.03 -1.09 4.71 -1.26 -4.97 120.64 107.40 1t61 n GLU 39 Ca 0.02 0.92 -0.30 0.00 -0.01 0.00 0.00 57.16 57.79 1t61 n GLU 39 Cb 0.54 -5.54 -0.16 0.00 -1.01 0.00 0.00 31.44 25.27 1t61 n GLU 39 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1t61 s LYS 40 N -4.90 2.34 0.28 3.49 2.47 -0.43 -4.90 119.74 118.10 1t61 s LYS 40 Ca 0.00 -0.57 -0.28 0.00 -1.56 0.00 0.00 55.97 53.55 1t61 s LYS 40 Cb 0.00 -2.13 -0.09 0.00 -1.46 0.00 0.00 37.83 34.14 1t61 s LYS 40 CO 0.00 -0.23 0.96 0.00 0.16 0.00 0.00 175.35 176.24 1t61 s ALA 41 N 1.47 3.28 -0.19 3.13 0.00 -1.26 -1.71 121.76 126.48 1t61 s ALA 41 Ca 0.05 0.61 -0.03 0.00 0.00 0.00 0.00 51.96 52.59 1t61 s ALA 41 Cb -0.13 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 19.84 1t61 s ALA 41 CO -0.11 0.15 0.03 -1.58 0.00 0.00 0.00 175.76 174.25 1t61 s HIS 42 N -1.37 1.07 0.35 0.00 2.46 -0.04 -4.96 115.29 112.80 1t61 s HIS 42 Ca 0.46 -0.86 -0.04 0.00 0.47 0.00 0.00 55.06 55.09 1t61 s HIS 42 Cb -0.23 -1.04 -0.05 0.00 -0.13 0.00 0.00 32.58 31.13 1t61 s HIS 42 CO 0.29 -0.60 0.61 -0.80 -2.47 0.00 0.00 174.74 171.78 1t61 s ASN 43 N 1.84 6.38 -0.11 9.88 0.01 -1.26 -1.26 114.94 130.43 1t61 s ASN 43 Ca -0.01 0.72 0.02 0.00 -0.71 0.00 0.00 52.86 52.89 1t61 s ASN 43 Cb -0.17 -2.15 -0.01 0.00 0.41 0.00 0.00 41.25 39.33 1t61 s ASN 43 CO -0.08 -0.31 -0.17 -1.10 -1.51 0.00 0.00 177.10 173.93 1t61 s GLN 44 N -3.99 3.12 0.02 -0.60 -1.52 -0.62 -4.98 119.66 111.09 1t61 s GLN 44 Ca 0.44 -0.76 -0.30 0.00 -1.95 0.00 0.00 55.36 52.79 1t61 s GLN 44 Cb -0.10 -2.47 -0.08 0.00 -0.22 0.00 0.00 33.01 30.14 1t61 s GLN 44 CO 0.34 0.27 1.80 0.34 -0.25 0.00 0.00 175.29 177.79 1t61 s ASP 45 N 0.17 6.55 0.05 5.90 -1.08 -1.26 -4.80 116.67 122.20 1t61 s ASP 45 Ca -0.10 2.50 0.08 0.00 -0.52 0.00 0.00 52.55 54.51 1t61 s ASP 45 Cb -0.16 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.13 1t61 s ASP 45 CO 0.06 -0.98 1.25 0.18 0.52 0.00 0.00 175.17 176.19 1t61 n LEU 46 N 6.98 0.10 -0.86 -1.34 4.77 -1.26 -1.19 117.00 124.20 1t61 n LEU 46 Ca 0.18 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.82 1t61 n LEU 46 Cb 0.41 -0.54 0.16 0.00 -2.33 0.00 0.00 43.42 41.12 1t61 n LEU 46 CO 0.65 -0.49 0.65 0.61 -1.33 0.00 0.00 177.39 177.48 1t61 n GLY 47 N -0.97 0.80 3.63 -0.72 0.00 -1.26 -4.34 105.19 102.33 1t61 n GLY 47 Ca 0.01 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 1t61 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t61 s LEU 48 N -2.03 3.22 0.58 0.99 1.43 -0.33 -4.35 118.68 118.19 1t61 s LEU 48 Ca 0.29 -0.38 0.28 0.00 -1.03 0.00 0.00 54.13 53.29 1t61 s LEU 48 Cb 0.20 -1.93 1.61 0.00 0.03 0.00 0.00 46.19 46.10 1t61 s LEU 48 CO 0.32 0.13 2.08 0.00 0.23 0.00 0.00 176.35 179.12 1t61 h ALA 49 N 3.12 1.89 0.00 4.21 0.00 -1.92 -1.56 119.26 125.00 1t61 h ALA 49 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1t61 h ALA 49 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1t61 h ALA 49 CO 0.56 -0.33 0.00 0.78 0.00 0.00 0.00 179.25 180.26 1t61 h GLY 50 N 0.00 0.00 0.36 0.00 0.00 -1.96 -0.70 103.07 100.78 1t61 h GLY 50 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1t61 h GLY 50 CO -0.00 0.00 -0.05 -1.14 0.00 0.00 0.00 176.54 175.35 1t61 n SER 51 N -2.93 0.77 -4.07 0.19 3.41 -0.59 -4.54 113.62 105.86 1t61 n SER 51 Ca -0.02 -1.06 -0.35 0.00 -0.26 0.00 0.00 58.87 57.18 1t61 n SER 51 Cb 0.10 -0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 63.93 1t61 n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t61 s LEU 53 N 0.37 4.09 0.24 0.00 2.96 -0.71 -4.78 118.68 120.85 1t61 s LEU 53 Ca 0.14 0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 54.56 1t61 s LEU 53 Cb -0.22 -2.67 0.30 0.00 0.50 0.00 0.00 46.19 44.10 1t61 s LEU 53 CO -0.04 -0.23 1.87 0.00 -1.32 0.00 0.00 176.35 176.63 1t61 h ALA 54 N 7.76 1.17 -3.29 5.97 0.00 -1.87 0.40 119.26 129.39 1t61 h ALA 54 Ca -0.31 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 53.91 1t61 h ALA 54 Cb 1.15 -0.27 -0.28 0.00 0.00 0.00 0.00 17.79 18.39 1t61 h ALA 54 CO 0.72 0.36 -0.77 1.03 0.00 0.00 0.00 179.25 180.59 1t61 s ARG 55 N -6.08 3.35 0.37 0.00 0.52 -1.26 -4.58 118.95 111.26 1t61 s ARG 55 Ca -0.13 -0.70 -0.05 0.00 -0.52 0.00 0.00 55.73 54.33 1t61 s ARG 55 Cb 0.18 -2.63 -0.05 0.00 0.52 0.00 0.00 34.95 32.97 1t61 s ARG 55 CO 0.79 0.16 0.66 0.12 0.02 0.00 0.00 175.30 177.06 1t61 s PHE 56 N 0.47 3.50 -0.23 -0.53 2.19 -1.26 -4.96 117.98 117.16 1t61 s PHE 56 Ca -0.10 0.72 -0.28 0.00 0.33 0.00 0.00 56.93 57.61 1t61 s PHE 56 Cb -0.16 -2.19 0.14 0.00 -1.31 0.00 0.00 43.02 39.50 1t61 s PHE 56 CO 0.05 -0.01 1.11 0.45 1.83 0.00 0.00 175.22 178.64 1t61 s SER 57 N -3.55 -0.31 0.52 6.13 0.15 -1.26 -5.00 113.70 110.38 1t61 s SER 57 Ca 0.46 0.44 0.30 0.00 0.70 0.00 0.00 55.95 57.84 1t61 s SER 57 Cb -0.10 0.39 1.31 0.00 -1.71 0.00 0.00 66.02 65.91 1t61 s SER 57 CO 0.35 -0.21 1.97 0.71 1.20 0.00 0.00 173.24 177.27 1t61 h THR 58 N 2.81 0.28 -2.71 6.45 1.35 -1.95 -3.33 112.91 115.81 1t61 h THR 58 Ca -0.20 -0.68 -0.60 0.00 -0.55 0.00 0.00 66.41 64.37 1t61 h THR 58 Cb 1.17 1.53 -0.40 0.00 -1.73 0.00 0.00 68.15 68.73 1t61 h THR 58 CO 0.23 0.09 -0.81 -0.32 -0.25 0.00 0.00 175.52 174.46 1t61 s MET 59 N -3.78 1.29 0.00 4.72 -2.45 -1.26 -3.41 119.30 114.40 1t61 s MET 59 Ca -0.00 -2.24 0.15 0.00 -1.25 0.00 0.00 55.69 52.35 1t61 s MET 59 Cb 0.10 -2.07 0.74 0.00 1.25 0.00 0.00 34.83 34.85 1t61 s MET 59 CO 0.57 -1.28 1.50 -0.35 1.05 0.00 0.00 175.02 176.51 1t61 n PRO 60 N 3.01 1.23 -4.18 4.11 -0.04 -1.25 -4.90 135.00 132.97 1t61 n PRO 60 Ca 0.20 -0.34 -0.12 0.00 -0.04 0.00 0.00 63.50 63.19 1t61 n PRO 60 Cb 0.40 -1.25 -0.09 0.00 -0.04 0.00 0.00 33.50 32.52 1t61 n PRO 60 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t61 s PHE 61 N -1.92 1.12 0.29 0.54 -0.71 -1.26 -5.08 117.98 110.96 1t61 s PHE 61 Ca 0.23 -1.33 0.04 0.00 -1.04 0.00 0.00 56.93 54.83 1t61 s PHE 61 Cb 0.11 -0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 41.41 1t61 s PHE 61 CO 0.18 -0.71 0.21 -0.48 -1.34 0.00 0.00 175.22 173.08 1t61 s LEU 62 N -3.16 1.56 0.06 -1.99 0.05 -1.26 -4.54 118.68 109.39 1t61 s LEU 62 Ca 0.37 -1.62 -0.05 0.00 0.05 0.00 0.00 54.13 52.89 1t61 s LEU 62 Cb 0.06 0.44 -0.02 0.00 -2.05 0.00 0.00 46.19 44.62 1t61 s LEU 62 CO 0.13 -0.97 0.07 -0.72 -0.55 0.00 0.00 176.35 174.31 1t61 s TYR 63 N -3.68 0.32 0.09 3.48 -0.85 -0.89 -5.00 117.35 110.82 1t61 s TYR 63 Ca 0.39 -0.76 0.03 0.00 -0.52 0.00 0.00 57.07 56.21 1t61 s TYR 63 Cb 0.04 -0.22 -0.04 0.00 0.38 0.00 0.00 41.96 42.13 1t61 s TYR 63 CO 0.21 -0.42 -0.09 0.00 -1.52 0.00 0.00 175.55 173.73 1t61 s ASN 65 N -2.51 4.24 0.30 0.00 2.20 -0.56 -5.00 114.94 113.61 1t61 s ASN 65 Ca 0.05 -0.95 0.17 0.00 -0.94 0.00 0.00 52.86 51.19 1t61 s ASN 65 Cb -0.01 -0.57 0.91 0.00 -2.00 0.00 0.00 41.25 39.58 1t61 s ASN 65 CO -0.01 -0.22 1.46 -2.65 -2.94 0.00 0.00 177.10 172.74 1t61 n PRO 66 N -0.96 0.11 -0.09 3.55 -0.02 -1.26 -1.96 135.00 134.37 1t61 n PRO 66 Ca -0.04 0.59 0.01 0.00 -2.02 0.00 0.00 63.50 62.05 1t61 n PRO 66 Cb 0.62 -1.99 0.05 0.00 -0.02 0.00 0.00 33.50 32.16 1t61 n PRO 66 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t61 n GLY 67 N -1.30 0.62 3.19 -1.23 0.00 -1.26 -4.87 105.19 100.35 1t61 n GLY 67 Ca -0.01 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 1t61 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t61 n ASP 68 N -0.05 -3.35 -3.94 1.61 10.43 -0.83 -5.03 116.55 115.40 1t61 n ASP 68 Ca 0.04 -0.52 -0.21 0.00 2.57 0.00 0.00 54.79 56.67 1t61 n ASP 68 Cb 0.24 -4.51 -0.16 0.00 1.84 0.00 0.00 41.12 38.52 1t61 n ASP 68 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1t61 s VAL 69 N -3.30 0.72 0.04 2.53 1.01 -1.24 -5.02 120.40 115.14 1t61 s VAL 69 Ca 0.18 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.00 1t61 s VAL 69 Cb -0.08 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1t61 s VAL 69 CO 0.64 0.26 -0.25 0.00 0.00 0.00 0.00 175.10 175.75 1t61 s TYR 71 N -0.78 2.31 -0.16 0.00 2.02 0.76 -4.98 117.35 116.52 1t61 s TYR 71 Ca 0.11 -1.07 -0.00 0.00 -0.37 0.00 0.00 57.07 55.73 1t61 s TYR 71 Cb -0.10 -1.60 -0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1t61 s TYR 71 CO 0.02 -0.49 -0.14 -0.47 -1.57 0.00 0.00 175.55 172.89 1t61 s TYR 72 N 0.75 2.81 -1.67 2.71 6.14 -1.26 -2.10 117.35 124.72 1t61 s TYR 72 Ca -0.10 -1.08 -0.17 0.00 0.64 0.00 0.00 57.07 56.36 1t61 s TYR 72 Cb -0.16 -1.92 0.14 0.00 0.42 0.00 0.00 41.96 40.45 1t61 s TYR 72 CO 0.01 -0.51 0.81 0.00 0.64 0.00 0.00 175.55 176.50 1t61 n ALA 73 N 4.19 -1.29 -1.40 3.97 0.00 -1.26 -4.86 120.51 119.87 1t61 n ALA 73 Ca -0.19 0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.34 1t61 n ALA 73 Cb 0.51 -3.59 0.16 0.00 0.00 0.00 0.00 19.45 16.53 1t61 n ALA 73 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t61 n SER 74 N -2.70 1.91 0.00 0.00 7.64 -1.26 -4.75 113.62 114.47 1t61 n SER 74 Ca 0.06 -3.34 0.00 0.00 1.01 0.00 0.00 58.87 56.60 1t61 n SER 74 Cb 0.50 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1t61 n SER 74 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1t61 n ARG 75 N -1.16 0.00 -2.29 1.43 0.63 -1.26 -5.08 116.66 108.93 1t61 n ARG 75 Ca 0.16 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.10 1t61 n ARG 75 Cb 0.68 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.63 1t61 n ARG 75 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1t61 n ASN 76 N 0.00 1.41 -4.91 6.15 5.03 -1.26 -4.86 115.26 116.82 1t61 n ASN 76 Ca 0.00 -2.06 -0.25 0.00 0.87 0.00 0.00 54.58 53.13 1t61 n ASN 76 Cb 0.00 -0.41 0.07 0.00 -1.02 0.00 0.00 39.78 38.42 1t61 n ASN 76 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1t61 s ASP 77 N -3.11 4.83 0.32 6.41 -0.00 -1.26 -4.95 116.67 118.91 1t61 s ASP 77 Ca 0.30 0.37 -0.08 0.00 -0.00 0.00 0.00 52.55 53.13 1t61 s ASP 77 Cb 0.35 -1.03 0.01 0.00 -0.00 0.00 0.00 42.92 42.25 1t61 s ASP 77 CO -0.09 -1.57 0.54 -1.59 -0.00 0.00 0.00 175.17 172.46 1t61 s LYS 78 N -5.19 1.86 0.06 8.23 -2.85 -0.95 -3.12 119.74 117.77 1t61 s LYS 78 Ca 0.60 -1.53 0.01 0.00 -1.00 0.00 0.00 55.97 54.06 1t61 s LYS 78 Cb -0.10 0.49 -0.03 0.00 -2.06 0.00 0.00 37.83 36.12 1t61 s LYS 78 CO 0.44 -0.79 -0.06 -1.54 0.10 0.00 0.00 175.35 173.50 1t61 s SER 79 N -3.13 0.82 -0.03 0.03 1.04 -0.62 -1.07 113.70 110.75 1t61 s SER 79 Ca 0.25 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 55.97 1t61 s SER 79 Cb -0.01 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 1t61 s SER 79 CO 0.15 -0.36 -0.16 -0.31 0.98 0.00 0.00 173.24 173.54 1t61 s TYR 80 N -2.49 1.52 0.06 5.02 2.02 0.35 -0.44 117.35 123.39 1t61 s TYR 80 Ca -0.01 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 1t61 s TYR 80 Cb -0.02 -1.01 -0.03 0.00 -0.40 0.00 0.00 41.96 40.50 1t61 s TYR 80 CO -0.03 -0.09 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.17 1t61 s TRP 81 N -0.14 0.93 0.49 2.71 0.52 -0.79 -1.32 118.94 121.33 1t61 s TRP 81 Ca 0.01 -0.52 -0.23 0.00 0.02 0.00 0.00 56.10 55.38 1t61 s TRP 81 Cb -0.09 -0.53 -0.07 0.00 -1.15 0.00 0.00 33.47 31.63 1t61 s TRP 81 CO 0.01 -0.02 1.24 -0.51 0.02 0.00 0.00 176.95 177.69 1t61 s LEU 82 N -1.81 3.97 0.50 2.99 1.43 -0.29 -0.37 118.68 125.10 1t61 s LEU 82 Ca -0.04 2.49 0.04 0.00 -1.03 0.00 0.00 54.13 55.59 1t61 s LEU 82 Cb -0.08 -4.23 -0.00 0.00 0.03 0.00 0.00 46.19 41.90 1t61 s LEU 82 CO 0.01 -1.14 0.18 -0.94 0.23 0.00 0.00 176.35 174.68 1t61 s SER 83 N -1.17 4.35 0.00 2.29 1.04 -0.17 -1.27 113.70 118.77 1t61 s SER 83 Ca 0.66 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1t61 s SER 83 Cb -0.33 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1t61 s SER 83 CO 0.40 -0.88 0.00 0.35 0.98 0.00 0.00 173.24 174.09 1t61 n THR 84 N -1.43 0.00 1.32 2.02 -2.24 -0.66 -4.52 114.28 108.77 1t61 n THR 84 Ca -0.09 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.77 1t61 n THR 84 Cb 0.66 -0.89 0.34 0.00 -2.10 0.00 0.00 70.33 68.34 1t61 n THR 84 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1t61 n THR 85 N -0.84 0.21 -1.59 4.28 -2.24 -1.26 -4.92 114.28 107.93 1t61 n THR 85 Ca 0.00 -0.30 -0.47 0.00 -2.27 0.00 0.00 64.05 61.01 1t61 n THR 85 Cb 0.00 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 1t61 n THR 85 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t61 n ALA 86 N 0.14 -0.48 -1.69 6.98 0.00 -1.26 -4.85 120.51 119.35 1t61 n ALA 86 Ca 0.14 0.44 -0.39 0.00 0.00 0.00 0.00 53.44 53.63 1t61 n ALA 86 Cb 0.26 -2.04 0.03 0.00 0.00 0.00 0.00 19.45 17.70 1t61 n ALA 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1t61 n PRO 87 N 1.49 1.58 -1.67 0.00 -0.04 -1.26 -4.90 135.00 130.21 1t61 n PRO 87 Ca 0.13 0.58 -0.42 0.00 -0.04 0.00 0.00 63.50 63.75 1t61 n PRO 87 Cb 0.27 -2.39 -0.03 0.00 -0.04 0.00 0.00 33.50 31.31 1t61 n PRO 87 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1t61 n LEU 88 N -0.46 4.12 -4.82 1.53 7.99 -1.26 -4.96 117.00 119.14 1t61 n LEU 88 Ca 0.10 0.92 -0.33 0.00 -0.01 0.00 0.00 56.01 56.69 1t61 n LEU 88 Cb 0.43 -1.53 -0.05 0.00 -0.11 0.00 0.00 43.42 42.17 1t61 n LEU 88 CO 0.55 0.19 0.67 -2.16 -1.51 0.00 0.00 177.39 175.13 1t61 s PRO 89 N 4.03 4.01 0.50 3.23 0.04 -1.26 -4.96 135.00 140.60 1t61 s PRO 89 Ca 0.87 1.11 0.29 0.00 0.04 0.00 0.00 61.00 63.32 1t61 s PRO 89 Cb -0.46 -2.14 1.01 0.00 0.04 0.00 0.00 34.50 32.95 1t61 s PRO 89 CO 0.41 -0.22 1.85 0.52 0.04 0.00 0.00 177.00 179.61 1t61 h MET 90 N 1.45 0.00 -3.77 4.56 2.86 -2.00 -3.46 114.93 114.58 1t61 h MET 90 Ca -0.48 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.07 1t61 h MET 90 Cb 1.19 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.73 1t61 h MET 90 CO 0.61 0.05 -0.27 0.00 1.06 0.00 0.00 176.91 178.36 1t61 s MET 91 N -3.54 1.12 0.35 1.72 0.00 -1.26 -5.14 119.30 112.56 1t61 s MET 91 Ca 0.03 -1.07 -0.27 0.00 0.00 0.00 0.00 55.69 54.38 1t61 s MET 91 Cb 0.08 0.39 -0.12 0.00 0.00 0.00 0.00 34.83 35.18 1t61 s MET 91 CO 0.59 -0.42 1.05 -2.30 0.00 0.00 0.00 175.02 173.95 1t61 n PRO 92 N -0.20 1.49 -3.55 3.16 -0.02 -1.26 -4.96 135.00 129.65 1t61 n PRO 92 Ca -0.10 0.52 -0.38 0.00 -2.02 0.00 0.00 63.50 61.53 1t61 n PRO 92 Cb 0.63 -2.00 -0.06 0.00 -0.02 0.00 0.00 33.50 32.05 1t61 n PRO 92 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1t61 s VAL 93 N -1.15 5.11 0.05 -1.45 -7.23 -0.17 -4.90 120.40 110.68 1t61 s VAL 93 Ca 0.60 0.74 0.06 0.00 -1.81 0.00 0.00 61.98 61.57 1t61 s VAL 93 Cb -0.62 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 32.61 1t61 s VAL 93 CO 0.59 0.57 -0.11 0.00 -0.31 0.00 0.00 175.10 175.84 1t61 s ALA 94 N -0.94 2.88 0.00 1.32 0.00 -1.26 -1.61 121.76 122.14 1t61 s ALA 94 Ca 0.22 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1t61 s ALA 94 Cb -0.16 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.04 1t61 s ALA 94 CO 0.12 0.61 0.00 0.39 0.00 0.00 0.00 175.76 176.88 1t61 n GLU 95 N 1.21 0.00 0.08 0.00 1.02 -1.02 -1.29 120.64 120.63 1t61 n GLU 95 Ca -0.15 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.15 1t61 n GLU 95 Cb 0.52 0.00 0.66 0.00 -0.02 0.00 0.00 31.44 32.61 1t61 n GLU 95 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1t61 h GLU 96 N 0.00 0.02 0.00 3.49 4.57 -1.96 -0.41 114.58 120.29 1t61 h GLU 96 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1t61 h GLU 96 Cb 0.00 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1t61 h GLU 96 CO 0.00 0.01 0.00 -0.25 -1.18 0.00 0.00 179.01 177.59 1t61 n ASP 97 N -4.43 0.04 0.02 1.04 8.00 -0.41 -2.63 116.55 118.18 1t61 n ASP 97 Ca 0.06 0.51 -0.17 0.00 0.71 0.00 0.00 54.79 55.90 1t61 n ASP 97 Cb 0.43 -0.52 -0.07 0.00 -0.02 0.00 0.00 41.12 40.94 1t61 n ASP 97 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1t61 h ILE 98 N 0.00 1.30 -0.94 0.53 2.04 -1.18 -3.38 117.51 115.88 1t61 h ILE 98 Ca 0.00 -2.16 0.23 0.00 1.00 0.00 0.00 64.86 63.93 1t61 h ILE 98 Cb 0.23 2.20 -0.18 0.00 -0.74 0.00 0.00 36.82 38.34 1t61 h ILE 98 CO 0.00 0.67 -0.10 -1.14 0.00 0.00 0.00 178.15 177.58 1t61 n ARG 99 N -3.87 -0.08 0.05 2.37 0.63 -1.08 -0.53 116.66 114.15 1t61 n ARG 99 Ca -0.08 1.44 0.07 0.00 -0.92 0.00 0.00 57.85 58.36 1t61 n ARG 99 Cb 0.81 -2.22 0.32 0.00 0.45 0.00 0.00 32.46 31.82 1t61 n ARG 99 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1t61 n PRO 100 N -5.46 0.06 0.05 -0.14 -0.02 -1.26 -2.85 135.00 125.39 1t61 n PRO 100 Ca 0.19 0.39 0.11 0.00 -2.02 0.00 0.00 63.50 62.17 1t61 n PRO 100 Cb 0.61 -1.64 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 1t61 n PRO 100 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1t61 n TYR 101 N -1.77 0.54 -3.27 6.00 4.01 0.31 -4.54 117.16 118.44 1t61 n TYR 101 Ca 0.02 0.16 -0.39 0.00 -0.16 0.00 0.00 57.90 57.53 1t61 n TYR 101 Cb 0.13 -0.70 -0.07 0.00 -0.31 0.00 0.00 39.34 38.39 1t61 n TYR 101 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1t61 s ILE 102 N -3.35 5.13 0.55 -0.72 -1.09 -1.13 -1.66 121.20 118.92 1t61 s ILE 102 Ca -0.01 0.92 -0.21 0.00 -2.23 0.00 0.00 60.65 59.13 1t61 s ILE 102 Cb 0.12 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 1t61 s ILE 102 CO 0.82 0.20 1.24 -0.55 -1.23 0.00 0.00 174.94 175.43 1t61 s SER 103 N 1.08 5.43 0.32 3.58 0.15 -0.40 -4.41 113.70 119.45 1t61 s SER 103 Ca 0.24 2.48 0.08 0.00 0.70 0.00 0.00 55.95 59.45 1t61 s SER 103 Cb -0.15 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.52 1t61 s SER 103 CO 0.09 -1.44 0.25 -0.13 1.20 0.00 0.00 173.24 173.22 1t61 s ARG 104 N -3.06 2.70 0.16 5.44 1.81 -0.86 -1.11 118.95 124.03 1t61 s ARG 104 Ca 0.73 -1.29 -0.11 0.00 -1.72 0.00 0.00 55.73 53.34 1t61 s ARG 104 Cb -0.33 -2.45 0.00 0.00 -0.45 0.00 0.00 34.95 31.72 1t61 s ARG 104 CO 0.38 0.15 0.33 0.00 -0.68 0.00 0.00 175.30 175.48 1t61 s SER 106 N -2.93 0.04 -0.21 0.00 0.01 -0.54 -1.06 113.70 109.01 1t61 s SER 106 Ca 0.13 -0.03 -0.04 0.00 1.31 0.00 0.00 55.95 57.32 1t61 s SER 106 Cb 0.03 0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.24 1t61 s SER 106 CO -0.02 -0.01 -0.02 -0.69 0.41 0.00 0.00 173.24 172.90 1t61 s VAL 107 N -0.07 3.68 0.06 3.43 1.01 -0.18 -1.66 120.40 126.67 1t61 s VAL 107 Ca -0.01 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 61.67 1t61 s VAL 107 Cb -0.01 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1t61 s VAL 107 CO -0.00 0.42 -0.25 0.00 0.00 0.00 0.00 175.10 175.27 1t61 s GLU 109 N -1.35 4.26 0.20 0.00 2.02 0.18 0.01 118.70 124.02 1t61 s GLU 109 Ca 0.11 1.40 0.07 0.00 0.02 0.00 0.00 54.97 56.57 1t61 s GLU 109 Cb -0.10 -3.66 -0.04 0.00 0.10 0.00 0.00 34.13 30.44 1t61 s GLU 109 CO 0.03 -0.64 0.06 0.00 0.02 0.00 0.00 175.26 174.73 1t61 s ALA 110 N 3.24 3.35 -0.11 5.21 0.00 0.19 -3.68 121.76 129.96 1t61 s ALA 110 Ca 0.45 -1.39 0.14 0.00 0.00 0.00 0.00 51.96 51.16 1t61 s ALA 110 Cb -0.16 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1t61 s ALA 110 CO 0.07 0.41 1.37 -1.00 0.00 0.00 0.00 175.76 176.61 1t61 h PRO 111 N 2.29 0.00 -4.42 0.00 0.13 -1.96 -3.31 132.00 124.73 1t61 h PRO 111 Ca -0.47 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.43 1t61 h PRO 111 Cb 1.22 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 1t61 h PRO 111 CO 0.60 0.57 -0.50 0.00 -0.23 0.00 0.00 178.00 178.44 1t61 s ALA 112 N -2.91 0.95 0.40 -0.56 0.00 -1.26 -4.91 121.76 113.46 1t61 s ALA 112 Ca 0.03 -1.57 -0.24 0.00 0.00 0.00 0.00 51.96 50.18 1t61 s ALA 112 Cb 0.08 1.33 -0.09 0.00 0.00 0.00 0.00 23.12 24.44 1t61 s ALA 112 CO 0.76 -0.66 1.03 0.08 0.00 0.00 0.00 175.76 176.97 1t61 s VAL 113 N -4.02 3.85 -0.06 0.00 1.01 -1.26 -4.85 120.40 115.06 1t61 s VAL 113 Ca 0.36 1.39 0.02 0.00 0.00 0.00 0.00 61.98 63.75 1t61 s VAL 113 Cb 0.05 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1t61 s VAL 113 CO 0.13 -0.01 -0.10 0.00 0.00 0.00 0.00 175.10 175.12 1t61 s ALA 114 N -1.71 2.83 0.26 5.51 0.00 -1.26 -3.62 121.76 123.78 1t61 s ALA 114 Ca 0.58 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.64 1t61 s ALA 114 Cb -0.20 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 1t61 s ALA 114 CO 0.25 0.54 0.03 0.96 0.00 0.00 0.00 175.76 177.55 1t61 s ILE 115 N -0.70 0.98 0.03 0.00 -4.36 0.11 -4.59 121.20 112.66 1t61 s ILE 115 Ca 0.11 -2.02 0.07 0.00 -0.26 0.00 0.00 60.65 58.55 1t61 s ILE 115 Cb -0.11 -2.53 -0.03 0.00 1.25 0.00 0.00 42.46 41.04 1t61 s ILE 115 CO 0.01 -0.17 -0.19 0.00 0.24 0.00 0.00 174.94 174.84 1t61 s ALA 116 N -3.46 2.54 0.01 2.27 0.00 -0.29 -0.12 121.76 122.72 1t61 s ALA 116 Ca 0.33 -1.17 0.06 0.00 0.00 0.00 0.00 51.96 51.18 1t61 s ALA 116 Cb 0.07 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1t61 s ALA 116 CO 0.12 0.56 -0.19 0.14 0.00 0.00 0.00 175.76 176.40 1t61 s VAL 117 N -0.87 1.47 -0.03 0.00 -7.23 -0.36 -4.47 120.40 108.92 1t61 s VAL 117 Ca 0.14 -0.96 0.06 0.00 -1.81 0.00 0.00 61.98 59.40 1t61 s VAL 117 Cb -0.10 -1.26 -0.01 0.00 0.56 0.00 0.00 36.38 35.56 1t61 s VAL 117 CO 0.04 0.28 -0.20 -1.00 -0.31 0.00 0.00 175.10 173.91 1t61 s HIS 118 N -0.62 1.82 -0.16 2.82 3.76 -1.26 -1.84 115.29 119.81 1t61 s HIS 118 Ca 0.06 -0.41 0.21 0.00 -0.15 0.00 0.00 55.06 54.77 1t61 s HIS 118 Cb -0.08 -1.19 -0.12 0.00 1.11 0.00 0.00 32.58 32.30 1t61 s HIS 118 CO 0.00 -0.08 0.81 -1.13 -0.85 0.00 0.00 174.74 173.49 1t61 n SER 119 N 2.77 0.61 -3.97 1.40 3.41 -0.59 -4.94 113.62 112.31 1t61 n SER 119 Ca -0.16 0.25 -0.31 0.00 -0.26 0.00 0.00 58.87 58.39 1t61 n SER 119 Cb 0.53 0.77 0.01 0.00 -0.26 0.00 0.00 64.21 65.27 1t61 n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t61 n GLN 120 N -2.63 -4.95 -3.79 4.33 6.02 -1.26 -4.91 117.38 110.19 1t61 n GLN 120 Ca -0.05 0.55 -0.09 0.00 -0.01 0.00 0.00 57.00 57.40 1t61 n GLN 120 Cb 0.65 -5.37 -0.03 0.00 1.02 0.00 0.00 30.24 26.51 1t61 n GLN 120 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1t61 s ASP 121 N -3.39 -0.27 0.50 1.08 2.15 -1.26 -0.85 116.67 114.64 1t61 s ASP 121 Ca 0.63 -0.54 0.29 0.00 0.43 0.00 0.00 52.55 53.36 1t61 s ASP 121 Cb -0.32 0.64 1.13 0.00 -0.30 0.00 0.00 42.92 44.06 1t61 s ASP 121 CO 0.85 -1.17 1.90 -0.37 -0.17 0.00 0.00 175.17 176.21 1t61 h VAL 122 N 2.11 0.21 -4.13 1.11 -1.51 -1.87 -3.16 116.25 109.01 1t61 h VAL 122 Ca -0.25 -0.77 -0.46 0.00 -1.23 0.00 0.00 66.70 63.98 1t61 h VAL 122 Cb 1.26 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 32.07 1t61 h VAL 122 CO 0.31 0.08 0.35 -0.94 -1.23 0.00 0.00 177.57 176.15 1t61 s SER 123 N -5.92 6.73 0.00 4.19 1.04 -1.26 -4.85 113.70 113.63 1t61 s SER 123 Ca 0.01 1.60 -0.30 0.00 0.48 0.00 0.00 55.95 57.74 1t61 s SER 123 Cb 0.09 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.67 1t61 s SER 123 CO 0.59 -0.50 0.96 -0.63 0.98 0.00 0.00 173.24 174.64 1t61 s ILE 124 N -2.46 4.86 0.58 -1.02 1.01 -1.26 -4.53 121.20 118.39 1t61 s ILE 124 Ca 0.60 2.02 -0.17 0.00 0.00 0.00 0.00 60.65 63.10 1t61 s ILE 124 Cb -0.10 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 1t61 s ILE 124 CO 0.25 0.17 1.09 -2.16 0.00 0.00 0.00 174.94 174.29 1t61 s PRO 125 N 0.94 3.25 0.34 2.79 0.04 -1.26 -5.01 135.00 136.10 1t61 s PRO 125 Ca 0.51 1.37 -0.21 0.00 0.04 0.00 0.00 61.00 62.71 1t61 s PRO 125 Cb -0.21 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 1t61 s PRO 125 CO 0.28 -0.89 0.87 -1.01 0.04 0.00 0.00 177.00 176.29 1t61 s HIS 126 N -2.20 3.50 0.58 0.56 3.76 -1.26 -4.71 115.29 115.53 1t61 s HIS 126 Ca 0.67 1.56 -0.16 0.00 -0.15 0.00 0.00 55.06 56.98 1t61 s HIS 126 Cb -0.19 -2.78 -0.05 0.00 1.11 0.00 0.00 32.58 30.68 1t61 s HIS 126 CO 0.33 0.11 1.04 0.00 -0.85 0.00 0.00 174.74 175.37 1t61 s PRO 128 N -4.10 2.36 0.15 0.00 0.02 -1.26 -4.85 135.00 127.32 1t61 s PRO 128 Ca 0.62 1.79 -0.34 0.00 0.02 0.00 0.00 61.00 63.10 1t61 s PRO 128 Cb -0.15 -1.86 -0.13 0.00 0.02 0.00 0.00 34.50 32.38 1t61 s PRO 128 CO 0.36 -1.67 1.62 0.00 -0.33 0.00 0.00 177.00 176.98 1t61 n ALA 129 N -2.42 1.58 -0.37 -1.55 0.00 -1.26 -1.26 120.51 115.23 1t61 n ALA 129 Ca 0.14 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1t61 n ALA 129 Cb 0.50 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1t61 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t61 n GLY 130 N 3.57 0.78 3.27 0.00 0.00 -1.26 -5.01 105.19 106.54 1t61 n GLY 130 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1t61 n GLY 130 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1t61 s TRP 131 N -2.18 1.97 0.10 1.61 0.52 -0.39 0.13 118.94 120.70 1t61 s TRP 131 Ca 0.00 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 55.77 1t61 s TRP 131 Cb 0.00 -1.21 -0.04 0.00 -1.15 0.00 0.00 33.47 31.07 1t61 s TRP 131 CO 0.00 0.05 0.09 -0.98 0.02 0.00 0.00 176.95 176.14 1t61 s ARG 132 N -0.95 2.89 0.20 4.98 1.70 0.80 -4.69 118.95 123.88 1t61 s ARG 132 Ca 0.09 -0.74 -0.30 0.00 -0.47 0.00 0.00 55.73 54.31 1t61 s ARG 132 Cb -0.09 -2.71 -0.08 0.00 -0.57 0.00 0.00 34.95 31.50 1t61 s ARG 132 CO 0.01 0.54 0.96 0.45 -1.08 0.00 0.00 175.30 176.18 1t61 s SER 133 N -2.58 7.58 -0.15 -2.89 0.15 -1.26 -0.75 113.70 113.80 1t61 s SER 133 Ca 0.30 1.92 0.07 0.00 0.70 0.00 0.00 55.95 58.94 1t61 s SER 133 Cb -0.12 -2.60 -0.14 0.00 -1.71 0.00 0.00 66.02 61.45 1t61 s SER 133 CO 0.22 0.07 -0.04 0.18 1.20 0.00 0.00 173.24 174.87 1t61 n LEU 134 N 1.88 1.37 -3.60 3.45 4.77 0.55 -4.93 117.00 120.49 1t61 n LEU 134 Ca -0.01 -0.04 -0.05 0.00 -0.03 0.00 0.00 56.01 55.89 1t61 n LEU 134 Cb 0.47 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1t61 n LEU 134 CO 0.51 0.53 0.86 -1.66 -1.33 0.00 0.00 177.39 176.30 1t61 s TRP 135 N -2.32 -0.19 0.11 -1.77 -2.14 -1.22 -5.00 118.94 106.41 1t61 s TRP 135 Ca -0.14 0.05 0.10 0.00 2.66 0.00 0.00 56.10 58.78 1t61 s TRP 135 Cb 0.05 0.55 -0.04 0.00 -3.10 0.00 0.00 33.47 30.93 1t61 s TRP 135 CO 0.46 -0.44 -0.23 0.42 -2.66 0.00 0.00 176.95 174.50 1t61 s ILE 136 N -2.80 2.49 0.00 0.66 1.01 -1.26 -1.35 121.20 119.94 1t61 s ILE 136 Ca 0.09 -1.60 0.00 0.00 0.00 0.00 0.00 60.65 59.14 1t61 s ILE 136 Cb -0.00 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.37 1t61 s ILE 136 CO -0.05 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1t61 n GLY 137 N 0.98 2.47 3.42 6.18 0.00 -0.12 -4.33 105.19 113.80 1t61 n GLY 137 Ca -0.17 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 1t61 n GLY 137 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t61 s TYR 138 N -1.60 2.42 -0.83 1.61 1.51 0.78 -1.54 117.35 119.71 1t61 s TYR 138 Ca 0.00 -0.33 -0.25 0.00 -1.01 0.00 0.00 57.07 55.48 1t61 s TYR 138 Cb 0.00 -1.35 -0.00 0.00 -0.11 0.00 0.00 41.96 40.50 1t61 s TYR 138 CO 0.00 0.28 1.67 -1.12 -1.11 0.00 0.00 175.55 175.27 1t61 s SER 139 N -1.75 5.71 -0.42 2.29 0.01 -0.42 -2.05 113.70 117.08 1t61 s SER 139 Ca 0.15 -0.57 -0.23 0.00 1.31 0.00 0.00 55.95 56.61 1t61 s SER 139 Cb -0.10 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.59 1t61 s SER 139 CO 0.06 -2.17 0.77 0.12 0.41 0.00 0.00 173.24 172.43 1t61 s PHE 140 N 7.70 3.04 -0.23 2.43 5.36 -0.06 -1.59 117.98 134.64 1t61 s PHE 140 Ca 0.56 0.29 -0.16 0.00 -0.96 0.00 0.00 56.93 56.66 1t61 s PHE 140 Cb -0.07 -3.53 -0.11 0.00 -0.34 0.00 0.00 43.02 38.97 1t61 s PHE 140 CO 0.05 -0.88 -0.20 -0.11 -1.46 0.00 0.00 175.22 172.62 1t61 n LEU 141 N 6.56 1.91 0.00 6.12 7.94 -0.24 -4.51 117.00 134.78 1t61 n LEU 141 Ca 0.02 0.39 -0.10 0.00 -1.11 0.00 0.00 56.01 55.21 1t61 n LEU 141 Cb 0.48 -0.84 0.01 0.00 0.53 0.00 0.00 43.42 43.60 1t61 n LEU 141 CO 0.56 0.21 0.39 1.15 -1.11 0.00 0.00 177.39 178.60 1t61 n MET 142 N -4.38 0.94 -3.51 1.96 0.00 -1.07 -0.64 117.12 110.42 1t61 n MET 142 Ca -0.36 -2.29 -0.13 0.00 0.00 0.00 0.00 57.70 54.92 1t61 n MET 142 Cb 0.69 2.60 -0.04 0.00 0.00 0.00 0.00 33.22 36.48 1t61 n MET 142 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 1t61 s HIS 143 N -2.73 -0.46 0.06 3.17 -3.43 0.10 -0.23 115.29 111.77 1t61 s HIS 143 Ca 0.19 0.36 -0.09 0.00 -0.80 0.00 0.00 55.06 54.72 1t61 s HIS 143 Cb -0.03 0.43 0.00 0.00 -1.43 0.00 0.00 32.58 31.55 1t61 s HIS 143 CO 0.14 -0.75 0.19 0.95 -2.00 0.00 0.00 174.74 173.27 1t61 s THR 144 N -3.18 0.12 0.00 -5.38 -4.23 -0.85 -1.58 115.64 100.54 1t61 s THR 144 Ca -0.01 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1t61 s THR 144 Cb -0.00 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.77 1t61 s THR 144 CO -0.08 -0.56 0.00 0.00 -0.54 0.00 0.00 174.62 173.45 1t61 n ALA 145 N 0.42 0.00 -1.63 3.99 0.00 -0.73 -0.94 120.51 121.61 1t61 n ALA 145 Ca -0.17 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.80 1t61 n ALA 145 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 1t61 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t61 n ALA 146 N -3.00 0.35 -0.83 0.00 0.00 -1.26 -4.46 120.51 111.31 1t61 n ALA 146 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1t61 n ALA 146 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.28 1t61 n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t61 n GLY 147 N 2.09 3.40 0.48 0.00 0.00 -1.26 -1.87 105.19 108.03 1t61 n GLY 147 Ca 0.13 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1t61 n GLY 147 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1t61 n ASP 148 N 4.14 1.69 -4.88 1.61 5.75 -1.26 -5.04 116.55 118.55 1t61 n ASP 148 Ca 0.00 -3.16 -0.29 0.00 -0.01 0.00 0.00 54.79 51.33 1t61 n ASP 148 Cb 0.00 -0.43 -0.01 0.00 -1.03 0.00 0.00 41.12 39.65 1t61 n ASP 148 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1t61 s GLU 149 N -2.37 3.66 0.00 0.11 0.41 -0.78 -4.90 118.70 114.82 1t61 s GLU 149 Ca 0.31 0.45 0.00 0.00 -0.41 0.00 0.00 54.97 55.32 1t61 s GLU 149 Cb 0.30 -2.31 0.00 0.00 -1.78 0.00 0.00 34.13 30.34 1t61 s GLU 149 CO -0.03 -0.23 0.00 0.41 -0.49 0.00 0.00 175.26 174.92 1t61 n GLY 150 N -2.00 -0.62 0.00 -1.39 0.00 -1.26 -1.77 105.19 98.15 1t61 n GLY 150 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1t61 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t61 n GLY 151 N 0.00 -0.79 3.84 -0.02 0.00 -0.62 -4.76 105.19 102.84 1t61 n GLY 151 Ca 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 1t61 n GLY 151 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t61 s GLY 152 N 0.00 0.11 0.20 -0.02 0.00 -1.26 -0.72 107.32 105.62 1t61 s GLY 152 Ca 0.00 -0.50 0.06 0.00 0.00 0.00 0.00 44.72 44.29 1t61 s GLY 152 CO 0.00 -0.16 0.12 1.20 0.00 0.00 0.00 173.10 174.26 1t61 s GLN 153 N -3.20 2.77 -0.11 2.90 -1.52 0.18 -4.92 119.66 115.76 1t61 s GLN 153 Ca 0.13 -1.02 -0.27 0.00 -1.95 0.00 0.00 55.36 52.25 1t61 s GLN 153 Cb -0.06 -2.53 -0.02 0.00 -0.22 0.00 0.00 33.01 30.19 1t61 s GLN 153 CO 0.09 0.44 0.89 0.45 -0.25 0.00 0.00 175.29 176.91 1t61 s SER 154 N -3.35 7.12 0.57 5.90 0.15 -1.26 -4.90 113.70 117.93 1t61 s SER 154 Ca 0.31 1.37 0.38 0.00 0.70 0.00 0.00 55.95 58.70 1t61 s SER 154 Cb -0.09 -2.50 1.89 0.00 -1.71 0.00 0.00 66.02 63.61 1t61 s SER 154 CO 0.23 -0.35 2.14 -0.07 1.20 0.00 0.00 173.24 176.39 1t61 h LEU 155 N 7.75 0.00 0.00 3.45 3.38 -1.95 -0.84 115.31 127.10 1t61 h LEU 155 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1t61 h LEU 155 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1t61 h LEU 155 CO 0.82 0.00 -0.67 0.55 0.09 0.00 0.00 178.44 179.22 1t61 n VAL 156 N -2.95 0.06 -2.89 1.22 3.14 -1.26 -4.48 118.33 111.17 1t61 n VAL 156 Ca -0.01 -0.07 -0.38 0.00 -2.96 0.00 0.00 64.34 60.92 1t61 n VAL 156 Cb 0.15 0.32 -0.06 0.00 -1.06 0.00 0.00 33.84 33.19 1t61 n VAL 156 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1t61 s SER 157 N -3.27 7.35 0.58 6.55 0.15 -0.32 -1.13 113.70 123.61 1t61 s SER 157 Ca 0.09 1.73 0.39 0.00 0.70 0.00 0.00 55.95 58.85 1t61 s SER 157 Cb 0.16 -2.53 2.10 0.00 -1.71 0.00 0.00 66.02 64.04 1t61 s SER 157 CO 0.74 0.06 2.19 -0.65 1.20 0.00 0.00 173.24 176.79 1t61 h PRO 158 N 3.68 0.00 0.00 5.44 0.11 -1.84 -1.38 132.00 138.01 1t61 h PRO 158 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1t61 h PRO 158 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1t61 h PRO 158 CO 0.66 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.23 1t61 h GLY 159 N 0.09 0.00 -0.88 -0.55 0.00 -1.85 -1.78 103.07 98.11 1t61 h GLY 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t61 h GLY 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t61 n SER 160 N -2.59 1.71 -3.86 0.19 3.41 -0.52 -4.64 113.62 107.32 1t61 n SER 160 Ca -0.00 -1.74 -0.30 0.00 -0.26 0.00 0.00 58.87 56.57 1t61 n SER 160 Cb 0.16 -0.12 -0.14 0.00 -0.26 0.00 0.00 64.21 63.85 1t61 n SER 160 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t61 s LEU 162 N 0.32 4.31 0.33 0.00 1.43 -0.87 -4.79 118.68 119.41 1t61 s LEU 162 Ca 0.15 0.94 0.03 0.00 -1.03 0.00 0.00 54.13 54.22 1t61 s LEU 162 Cb -0.23 -2.80 0.57 0.00 0.03 0.00 0.00 46.19 43.76 1t61 s LEU 162 CO -0.04 -0.00 1.88 -0.33 0.23 0.00 0.00 176.35 178.09 1t61 h GLU 163 N 6.54 0.61 -4.80 1.70 5.08 -1.88 0.22 114.58 122.05 1t61 h GLU 163 Ca -0.42 -0.12 -0.67 0.00 -1.00 0.00 0.00 59.36 57.15 1t61 h GLU 163 Cb 1.19 -0.10 -0.25 0.00 0.50 0.00 0.00 28.75 30.09 1t61 h GLU 163 CO 0.74 0.59 -0.60 -0.51 -1.00 0.00 0.00 179.01 178.23 1t61 s ASP 164 N -6.68 5.27 0.24 1.42 -0.00 -1.26 -4.61 116.67 111.04 1t61 s ASP 164 Ca -0.08 -0.61 -0.30 0.00 -0.00 0.00 0.00 52.55 51.56 1t61 s ASP 164 Cb 0.16 -1.92 -0.09 0.00 -0.00 0.00 0.00 42.92 41.06 1t61 s ASP 164 CO 0.77 -0.18 1.17 0.12 -0.00 0.00 0.00 175.17 177.05 1t61 s PHE 165 N 1.55 3.44 -0.08 4.23 2.19 -1.26 -4.95 117.98 123.09 1t61 s PHE 165 Ca 0.04 1.53 -0.03 0.00 0.33 0.00 0.00 56.93 58.79 1t61 s PHE 165 Cb -0.17 -3.41 0.04 0.00 -1.31 0.00 0.00 43.02 38.18 1t61 s PHE 165 CO 0.04 -1.04 0.16 1.03 1.83 0.00 0.00 175.22 177.24 1t61 s ARG 166 N -0.89 0.08 0.41 10.12 1.81 -1.26 -5.02 118.95 124.20 1t61 s ARG 166 Ca 0.49 0.45 0.07 0.00 -1.72 0.00 0.00 55.73 55.03 1t61 s ARG 166 Cb -0.33 -0.20 0.86 0.00 -0.45 0.00 0.00 34.95 34.82 1t61 s ARG 166 CO 0.40 -0.21 2.04 0.00 -0.68 0.00 0.00 175.30 176.85 1t61 h ALA 167 N 7.63 1.73 -2.93 2.13 0.00 -1.99 -3.26 119.26 122.57 1t61 h ALA 167 Ca -0.33 -0.03 -0.61 0.00 0.00 0.00 0.00 54.91 53.95 1t61 h ALA 167 Cb 1.13 -0.16 -0.40 0.00 0.00 0.00 0.00 17.79 18.36 1t61 h ALA 167 CO 0.32 0.23 -0.74 0.99 0.00 0.00 0.00 179.25 180.05 1t61 s THR 168 N -5.51 1.51 -2.00 0.00 2.01 -1.26 -4.05 115.64 106.34 1t61 s THR 168 Ca -0.08 -2.85 0.29 0.00 0.31 0.00 0.00 61.69 59.36 1t61 s THR 168 Cb 0.18 -2.04 0.83 0.00 0.01 0.00 0.00 72.50 71.48 1t61 s THR 168 CO 0.74 -0.96 2.12 -0.81 -0.69 0.00 0.00 174.62 175.02 1t61 n PRO 169 N 3.20 1.00 -4.09 4.92 -0.04 -1.23 -4.88 135.00 133.87 1t61 n PRO 169 Ca 0.13 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.51 1t61 n PRO 169 Cb 0.36 -1.46 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 1t61 n PRO 169 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t61 s PHE 170 N -2.00 0.62 0.14 0.54 -0.71 -1.26 -1.00 117.98 114.31 1t61 s PHE 170 Ca 0.44 -1.08 0.08 0.00 -1.04 0.00 0.00 56.93 55.33 1t61 s PHE 170 Cb 0.20 -0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 41.59 1t61 s PHE 170 CO 0.34 -0.47 -0.18 -1.50 -1.34 0.00 0.00 175.22 172.07 1t61 s ILE 171 N -3.97 1.72 -0.16 -4.49 2.07 0.50 -4.76 121.20 112.10 1t61 s ILE 171 Ca 0.14 -1.77 -0.07 0.00 -1.41 0.00 0.00 60.65 57.54 1t61 s ILE 171 Cb 0.07 -1.71 -0.04 0.00 0.13 0.00 0.00 42.46 40.91 1t61 s ILE 171 CO -0.05 -0.25 0.08 -0.70 -1.91 0.00 0.00 174.94 172.11 1t61 s GLU 172 N -2.50 3.79 -0.16 3.50 2.12 -1.04 -1.88 118.70 122.52 1t61 s GLU 172 Ca 0.12 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.16 1t61 s GLU 172 Cb -0.07 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.13 1t61 s GLU 172 CO 0.05 0.42 -0.16 0.00 -0.54 0.00 0.00 175.26 175.04 1t61 n ASN 174 N 4.22 6.22 0.00 0.00 3.02 0.40 -1.59 115.26 127.53 1t61 n ASN 174 Ca -0.19 -2.91 0.00 0.00 -0.03 0.00 0.00 54.58 51.45 1t61 n ASN 174 Cb 0.51 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 1t61 n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t61 n GLY 175 N 1.65 1.36 0.31 7.41 0.00 -1.18 -1.64 105.19 113.09 1t61 n GLY 175 Ca 0.49 0.66 0.19 0.00 0.00 0.00 0.00 46.02 47.36 1t61 n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t61 h ALA 176 N -0.17 1.12 0.00 4.61 0.00 -1.86 -2.30 119.26 120.67 1t61 h ALA 176 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1t61 h ALA 176 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1t61 h ALA 176 CO 0.00 0.03 -0.22 -0.09 0.00 0.00 0.00 179.25 178.97 1t61 h ARG 177 N 0.00 0.00 -0.58 0.00 2.43 -1.69 -3.47 114.38 111.08 1t61 h ARG 177 Ca -0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 1t61 h ARG 177 Cb 0.18 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 1t61 h ARG 177 CO 0.00 0.22 -0.16 0.41 -1.51 0.00 0.00 179.97 178.93 1t61 n GLY 178 N 0.23 0.73 3.23 2.80 0.00 -0.86 -4.97 105.19 106.34 1t61 n GLY 178 Ca 0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 1t61 n GLY 178 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t61 s THR 179 N -2.32 1.13 0.19 2.61 -4.23 -1.26 -2.44 115.64 109.31 1t61 s THR 179 Ca 0.00 -1.90 0.07 0.00 -1.18 0.00 0.00 61.69 58.68 1t61 s THR 179 Cb 0.00 -1.67 -0.05 0.00 1.34 0.00 0.00 72.50 72.12 1t61 s THR 179 CO 0.00 -0.65 -0.14 0.00 -0.54 0.00 0.00 174.62 173.29 1t61 s HIS 181 N -2.93 -0.18 -0.24 0.00 5.04 0.50 -0.99 115.29 116.49 1t61 s HIS 181 Ca 0.20 -0.12 -0.06 0.00 -1.54 0.00 0.00 55.06 53.54 1t61 s HIS 181 Cb -0.01 0.63 -0.02 0.00 0.04 0.00 0.00 32.58 33.23 1t61 s HIS 181 CO 0.05 -0.84 0.02 0.71 -2.34 0.00 0.00 174.74 172.35 1t61 s TYR 182 N -3.35 3.04 0.18 3.88 1.51 -1.26 -2.50 117.35 118.85 1t61 s TYR 182 Ca 0.11 -0.71 0.05 0.00 -1.01 0.00 0.00 57.07 55.51 1t61 s TYR 182 Cb -0.02 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 1t61 s TYR 182 CO 0.01 -0.47 0.15 0.71 -1.11 0.00 0.00 175.55 174.85 1t61 s TYR 183 N 1.54 3.16 0.23 2.71 1.51 -1.26 -5.02 117.35 120.22 1t61 s TYR 183 Ca 0.06 -0.03 0.35 0.00 -1.01 0.00 0.00 57.07 56.44 1t61 s TYR 183 Cb -0.15 -1.50 1.77 0.00 -0.11 0.00 0.00 41.96 41.97 1t61 s TYR 183 CO 0.01 0.52 2.06 0.00 -1.11 0.00 0.00 175.55 177.03 1t61 h ALA 184 N 2.23 1.00 -0.31 3.71 0.00 -2.02 -2.83 119.26 121.05 1t61 h ALA 184 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1t61 h ALA 184 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1t61 h ALA 184 CO 0.63 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.15 1t61 n ASN 185 N -2.81 1.75 -4.70 0.00 6.94 -1.26 -4.88 115.26 110.31 1t61 n ASN 185 Ca -0.01 -1.95 -0.42 0.00 -0.02 0.00 0.00 54.58 52.18 1t61 n ASN 185 Cb 0.13 -0.20 -0.03 0.00 -2.36 0.00 0.00 39.78 37.32 1t61 n ASN 185 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1t61 s LYS 186 N -1.59 4.40 -0.00 -3.83 1.02 -1.07 -4.20 119.74 114.47 1t61 s LYS 186 Ca 0.24 1.65 0.05 0.00 0.02 0.00 0.00 55.97 57.93 1t61 s LYS 186 Cb 0.13 -3.49 -0.01 0.00 -0.52 0.00 0.00 37.83 33.93 1t61 s LYS 186 CO 0.17 -0.34 -0.15 0.71 -0.92 0.00 0.00 175.35 174.82 1t61 s TYR 187 N 1.76 1.34 0.00 3.18 4.12 -0.12 -5.00 117.35 122.63 1t61 s TYR 187 Ca 0.56 -0.27 0.06 0.00 0.02 0.00 0.00 57.07 57.44 1t61 s TYR 187 Cb -0.25 -0.85 -0.03 0.00 -1.52 0.00 0.00 41.96 39.31 1t61 s TYR 187 CO 0.24 -0.01 -0.18 -1.54 0.02 0.00 0.00 175.55 174.08 1t61 s SER 188 N -0.47 3.79 -0.05 2.29 1.04 -1.26 -2.00 113.70 117.04 1t61 s SER 188 Ca 0.05 -0.35 0.07 0.00 0.48 0.00 0.00 55.95 56.20 1t61 s SER 188 Cb -0.06 -0.66 -0.01 0.00 0.10 0.00 0.00 66.02 65.38 1t61 s SER 188 CO -0.00 0.30 -0.25 -0.36 0.98 0.00 0.00 173.24 173.90 1t61 s PHE 189 N -0.82 2.41 0.07 5.02 0.40 0.68 -4.96 117.98 120.77 1t61 s PHE 189 Ca 0.13 -0.65 0.04 0.00 -0.60 0.00 0.00 56.93 55.85 1t61 s PHE 189 Cb -0.10 -1.57 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 1t61 s PHE 189 CO 0.03 -0.17 -0.11 -1.58 0.70 0.00 0.00 175.22 174.08 1t61 s TRP 190 N -0.29 1.02 0.46 0.36 0.52 -1.26 -1.08 118.94 118.66 1t61 s TRP 190 Ca 0.00 -0.51 -0.24 0.00 0.02 0.00 0.00 56.10 55.37 1t61 s TRP 190 Cb -0.13 -0.58 -0.07 0.00 -1.15 0.00 0.00 33.47 31.54 1t61 s TRP 190 CO 0.02 0.00 1.24 -0.51 0.02 0.00 0.00 176.95 177.73 1t61 s LEU 191 N -1.85 4.05 0.57 2.99 1.43 -0.62 -4.88 118.68 120.37 1t61 s LEU 191 Ca -0.03 2.49 -0.01 0.00 -1.03 0.00 0.00 54.13 55.55 1t61 s LEU 191 Cb -0.08 -4.14 0.03 0.00 0.03 0.00 0.00 46.19 42.03 1t61 s LEU 191 CO 0.01 -1.00 0.82 0.42 0.23 0.00 0.00 176.35 176.83 1t61 s THR 192 N -1.41 2.74 -0.06 5.49 -4.23 -1.26 -0.63 115.64 116.27 1t61 s THR 192 Ca 0.63 -0.55 -0.12 0.00 -1.18 0.00 0.00 61.69 60.47 1t61 s THR 192 Cb -0.33 -3.06 -0.05 0.00 1.34 0.00 0.00 72.50 70.40 1t61 s THR 192 CO 0.41 -0.05 0.30 0.42 -0.54 0.00 0.00 174.62 175.17 1t61 s THR 193 N -2.85 5.23 -0.13 3.99 -4.23 -1.00 -4.04 115.64 112.61 1t61 s THR 193 Ca 0.57 0.59 0.03 0.00 -1.18 0.00 0.00 61.69 61.69 1t61 s THR 193 Cb -0.10 -3.60 0.01 0.00 1.34 0.00 0.00 72.50 70.15 1t61 s THR 193 CO 0.40 0.56 -0.21 -0.63 -0.54 0.00 0.00 174.62 174.20 1t61 s ILE 194 N -0.82 2.00 0.07 2.99 1.01 -0.03 -4.88 121.20 121.54 1t61 s ILE 194 Ca 0.20 -0.95 -0.24 0.00 0.00 0.00 0.00 60.65 59.66 1t61 s ILE 194 Cb -0.15 -1.77 -0.16 0.00 0.01 0.00 0.00 42.46 40.40 1t61 s ILE 194 CO 0.09 0.54 1.63 -0.65 0.00 0.00 0.00 174.94 176.55 1t61 h PRO 195 N 7.28 -0.04 -6.61 2.79 0.11 -1.98 -3.44 132.00 130.10 1t61 h PRO 195 Ca -0.31 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.23 1t61 h PRO 195 Cb 1.19 0.01 0.18 0.00 0.11 0.00 0.00 31.00 32.49 1t61 h PRO 195 CO 0.54 0.07 -0.35 0.39 -0.21 0.00 0.00 178.00 178.44 1t61 n GLU 196 N -5.06 0.45 -0.24 1.05 4.71 -1.26 -4.90 120.64 115.39 1t61 n GLU 196 Ca -0.08 0.19 -0.07 0.00 -0.01 0.00 0.00 57.16 57.19 1t61 n GLU 196 Cb 0.09 -1.81 0.04 0.00 -1.01 0.00 0.00 31.44 28.76 1t61 n GLU 196 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 1t61 h GLN 197 N -0.02 1.04 0.00 3.49 5.75 -2.02 -3.42 115.11 119.94 1t61 h GLN 197 Ca -0.46 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 57.82 1t61 h GLN 197 Cb 1.37 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.77 1t61 h GLN 197 CO 0.45 0.91 0.00 -1.13 -2.65 0.00 0.00 178.83 176.41 1t61 n SER 198 N -4.33 0.00 -3.91 -0.69 3.41 -1.26 -5.12 113.62 101.72 1t61 n SER 198 Ca 0.05 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.41 1t61 n SER 198 Cb 0.22 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.00 1t61 n SER 198 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1t61 s PHE 199 N 0.00 1.20 -0.30 7.33 5.36 -1.26 -5.09 117.98 125.21 1t61 s PHE 199 Ca 0.00 -0.49 0.01 0.00 -0.96 0.00 0.00 56.93 55.49 1t61 s PHE 199 Cb 0.00 -1.01 0.09 0.00 -0.34 0.00 0.00 43.02 41.76 1t61 s PHE 199 CO 0.00 -0.36 0.05 -1.14 -1.46 0.00 0.00 175.22 172.30 1t61 s GLN 200 N 1.34 1.20 0.25 10.12 0.74 -1.26 -4.81 119.66 127.24 1t61 s GLN 200 Ca -0.03 -1.36 0.21 0.00 0.05 0.00 0.00 55.36 54.23 1t61 s GLN 200 Cb -0.14 -2.58 0.07 0.00 1.10 0.00 0.00 33.01 31.46 1t61 s GLN 200 CO -0.03 -0.88 1.19 0.78 -0.55 0.00 0.00 175.29 175.80 1t61 h GLY 201 N 7.88 0.00 -6.65 2.59 0.00 -2.05 -3.43 103.07 101.41 1t61 h GLY 201 Ca -0.11 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.63 1t61 h GLY 201 CO 0.48 0.00 -0.84 -1.59 0.00 0.00 0.00 176.54 174.59 1t61 s THR 202 N -3.20 0.45 0.42 4.70 2.01 -1.26 -5.13 115.64 113.63 1t61 s THR 202 Ca 0.01 -2.02 -0.25 0.00 0.31 0.00 0.00 61.69 59.75 1t61 s THR 202 Cb 0.08 -1.33 -0.10 0.00 0.01 0.00 0.00 72.50 71.16 1t61 s THR 202 CO 0.76 -1.00 1.09 -2.65 -0.69 0.00 0.00 174.62 172.13 1t61 n PRO 203 N 3.78 1.51 -3.61 4.92 -0.02 -1.26 -4.97 135.00 135.36 1t61 n PRO 203 Ca 0.13 0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 61.75 1t61 n PRO 203 Cb 0.38 -2.14 -0.11 0.00 -0.02 0.00 0.00 33.50 31.61 1t61 n PRO 203 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1t61 s SER 204 N -0.68 5.70 0.53 2.55 0.15 -1.26 -5.06 113.70 115.63 1t61 s SER 204 Ca 0.63 -1.05 -0.19 0.00 0.70 0.00 0.00 55.95 56.04 1t61 s SER 204 Cb -0.54 -2.01 -0.10 0.00 -1.71 0.00 0.00 66.02 61.65 1t61 s SER 204 CO 0.57 -0.40 0.44 0.00 1.20 0.00 0.00 173.24 175.05 1t61 n ALA 205 N 4.98 -1.47 -3.58 5.45 0.00 -1.26 -5.00 120.51 119.62 1t61 n ALA 205 Ca -0.12 0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 1t61 n ALA 205 Cb 0.46 -1.76 -0.06 0.00 0.00 0.00 0.00 19.45 18.09 1t61 n ALA 205 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1t61 s ASP 206 N -1.10 -0.51 -0.15 0.00 3.68 -1.26 -5.14 116.67 112.19 1t61 s ASP 206 Ca 0.66 0.72 0.01 0.00 2.13 0.00 0.00 52.55 56.07 1t61 s ASP 206 Cb -0.48 0.64 0.00 0.00 -1.45 0.00 0.00 42.92 41.63 1t61 s ASP 206 CO 0.57 -0.35 -0.18 -0.89 0.13 0.00 0.00 175.17 174.44 1t61 s THR 207 N -0.63 2.36 -0.17 1.71 2.01 -1.26 -5.11 115.64 114.54 1t61 s THR 207 Ca -0.03 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 1t61 s THR 207 Cb -0.02 -1.97 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 1t61 s THR 207 CO 0.02 0.53 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.64 1t61 s LEU 208 N 0.85 2.90 0.27 4.42 1.43 -1.26 -5.12 118.68 122.17 1t61 s LEU 208 Ca -0.05 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 1t61 s LEU 208 Cb -0.15 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1t61 s LEU 208 CO -0.02 0.09 0.40 -0.54 0.23 0.00 0.00 176.35 176.51 1t61 s LYS 209 N 0.83 3.33 -0.04 1.70 1.02 -1.26 -4.87 119.74 120.45 1t61 s LYS 209 Ca -0.02 -0.83 -0.40 0.00 0.02 0.00 0.00 55.97 54.74 1t61 s LYS 209 Cb -0.15 -2.86 -0.19 0.00 -0.52 0.00 0.00 37.83 34.11 1t61 s LYS 209 CO 0.01 0.30 1.17 0.00 -0.92 0.00 0.00 175.35 175.91 1t61 n ALA 210 N -1.50 -2.98 0.00 5.17 0.00 -1.26 -1.70 120.51 118.24 1t61 n ALA 210 Ca -0.06 0.57 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1t61 n ALA 210 Cb 0.57 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1t61 n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t61 n GLY 211 N 1.93 2.13 0.41 0.00 0.00 -1.26 -4.85 105.19 103.55 1t61 n GLY 211 Ca 0.21 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 46.00 1t61 n GLY 211 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t61 n LEU 212 N 0.00 2.58 -0.08 0.99 7.99 -0.69 -4.78 117.00 123.00 1t61 n LEU 212 Ca 0.00 -3.61 -0.11 0.00 -0.01 0.00 0.00 56.01 52.27 1t61 n LEU 212 Cb 0.00 -0.49 -0.05 0.00 -0.11 0.00 0.00 43.42 42.76 1t61 n LEU 212 CO 0.00 1.16 -0.45 -0.38 -1.51 0.00 0.00 177.39 176.20 1t61 n ILE 213 N -1.23 1.46 -0.34 -0.08 5.41 -1.25 -4.47 119.36 118.85 1t61 n ILE 213 Ca 0.18 0.11 0.34 0.00 1.00 0.00 0.00 62.75 64.38 1t61 n ILE 213 Cb 0.67 -2.26 0.71 0.00 -0.71 0.00 0.00 39.64 38.05 1t61 n ILE 213 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1t61 h ARG 214 N -1.00 0.08 0.00 0.38 3.08 -1.94 0.29 114.38 115.26 1t61 h ARG 214 Ca -0.14 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1t61 h ARG 214 Cb 0.83 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1t61 h ARG 214 CO -0.09 0.05 0.00 0.25 -1.07 0.00 0.00 179.97 179.11 1t61 n THR 215 N -4.28 0.26 0.11 2.04 -2.24 -1.26 -2.64 114.28 106.26 1t61 n THR 215 Ca 0.27 0.06 0.05 0.00 -2.27 0.00 0.00 64.05 62.16 1t61 n THR 215 Cb 1.22 -0.71 0.08 0.00 -2.10 0.00 0.00 70.33 68.82 1t61 n THR 215 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1t61 n HIS 216 N -1.23 0.20 -3.78 4.78 8.25 0.10 -4.81 115.22 118.73 1t61 n HIS 216 Ca 0.12 -0.26 -0.35 0.00 -0.26 0.00 0.00 57.72 56.97 1t61 n HIS 216 Cb 0.15 -0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.16 1t61 n HIS 216 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1t61 s ILE 217 N -0.89 5.23 0.47 1.59 -1.09 -1.08 -2.39 121.20 123.04 1t61 s ILE 217 Ca 0.15 0.13 -0.24 0.00 -2.23 0.00 0.00 60.65 58.46 1t61 s ILE 217 Cb 0.09 -3.39 -0.08 0.00 -1.58 0.00 0.00 42.46 37.49 1t61 s ILE 217 CO 0.12 0.42 1.21 -0.24 -1.23 0.00 0.00 174.94 175.22 1t61 n SER 218 N 3.73 2.14 -4.91 3.58 2.88 0.19 -4.70 113.62 116.53 1t61 n SER 218 Ca -0.16 1.03 -0.23 0.00 -1.33 0.00 0.00 58.87 58.18 1t61 n SER 218 Cb 0.52 -1.48 -0.03 0.00 -0.75 0.00 0.00 64.21 62.47 1t61 n SER 218 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1t61 s ARG 219 N -2.39 3.26 0.15 -1.46 1.81 -1.19 -1.30 118.95 117.81 1t61 s ARG 219 Ca 0.65 -0.79 -0.08 0.00 -1.72 0.00 0.00 55.73 53.79 1t61 s ARG 219 Cb -0.48 -2.81 -0.01 0.00 -0.45 0.00 0.00 34.95 31.20 1t61 s ARG 219 CO 0.54 0.45 0.23 0.00 -0.68 0.00 0.00 175.30 175.85 1t61 s GLN 221 N -3.96 0.31 -0.21 0.00 -0.21 -0.77 -0.94 119.66 113.88 1t61 s GLN 221 Ca 0.16 -0.29 -0.07 0.00 0.02 0.00 0.00 55.36 55.18 1t61 s GLN 221 Cb 0.04 -0.21 -0.04 0.00 1.00 0.00 0.00 33.01 33.80 1t61 s GLN 221 CO -0.02 0.05 0.07 0.08 -2.12 0.00 0.00 175.29 173.35 1t61 s VAL 222 N -0.47 4.61 0.16 1.09 1.01 -0.46 -1.22 120.40 125.12 1t61 s VAL 222 Ca -0.03 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 61.96 1t61 s VAL 222 Cb -0.04 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1t61 s VAL 222 CO -0.00 0.41 -0.20 0.00 0.00 0.00 0.00 175.10 175.31 1t61 s MET 224 N -2.61 0.87 0.31 0.00 -2.45 0.07 -0.71 119.30 114.78 1t61 s MET 224 Ca 0.15 -0.23 -0.29 0.00 -1.25 0.00 0.00 55.69 54.08 1t61 s MET 224 Cb -0.07 -0.83 -0.13 0.00 1.25 0.00 0.00 34.83 35.06 1t61 s MET 224 CO 0.07 0.05 1.29 1.17 1.05 0.00 0.00 175.02 178.65 1t61 n LYS 225 N 3.49 2.00 -0.26 4.11 4.81 -1.24 -0.14 118.16 130.94 1t61 n LYS 225 Ca -0.20 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1t61 n LYS 225 Cb 0.54 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.30 1t61 n LYS 225 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66