#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tei s ASP 2 N 0.00 6.94 -0.24 0.00 1.01 -1.26 -5.06 116.67 118.06 1tei s ASP 2 Ca 0.00 1.46 -0.13 0.00 0.71 0.00 0.00 52.55 54.59 1tei s ASP 2 Cb 0.00 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 1tei s ASP 2 CO 0.00 -0.17 0.27 -0.89 0.21 0.00 0.00 175.17 174.59 1tei s THR 3 N -1.88 5.28 -0.02 -1.27 2.01 -1.26 -5.03 115.64 113.48 1tei s THR 3 Ca 0.53 0.40 0.04 0.00 0.31 0.00 0.00 61.69 62.97 1tei s THR 3 Cb -0.12 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 1tei s THR 3 CO 0.18 0.28 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.61 1tei s ILE 4 N 1.35 1.18 -0.08 1.82 -1.09 -1.26 -3.53 121.20 119.60 1tei s ILE 4 Ca 0.12 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 57.91 1tei s ILE 4 Cb -0.14 -0.99 0.03 0.00 -1.58 0.00 0.00 42.46 39.77 1tei s ILE 4 CO 0.07 0.34 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.40 1tei s VAL 5 N -0.25 0.56 0.11 2.92 1.01 -0.96 0.10 120.40 123.89 1tei s VAL 5 Ca 0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 1tei s VAL 5 Cb -0.07 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 1tei s VAL 5 CO -0.00 0.28 0.21 0.00 0.00 0.00 0.00 175.10 175.58 1tei s ALA 6 N 1.71 -0.07 -0.23 5.51 0.00 -0.32 -0.88 121.76 127.48 1tei s ALA 6 Ca 0.02 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.23 1tei s ALA 6 Cb -0.13 0.62 0.05 0.00 0.00 0.00 0.00 23.12 23.66 1tei s ALA 6 CO -0.05 -0.55 -0.12 0.08 0.00 0.00 0.00 175.76 175.12 1tei s VAL 7 N -3.91 1.96 -0.10 0.00 1.01 0.03 -0.82 120.40 118.58 1tei s VAL 7 Ca 0.10 -1.31 -0.06 0.00 0.00 0.00 0.00 61.98 60.71 1tei s VAL 7 Cb 0.05 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1tei s VAL 7 CO -0.07 0.13 0.12 -1.83 0.00 0.00 0.00 175.10 173.44 1tei s GLU 8 N 1.24 3.34 -0.89 2.72 -1.05 -0.10 -1.06 118.70 122.90 1tei s GLU 8 Ca -0.04 -0.20 -0.03 0.00 -0.15 0.00 0.00 54.97 54.55 1tei s GLU 8 Cb -0.18 -3.10 0.22 0.00 -0.44 0.00 0.00 34.13 30.63 1tei s GLU 8 CO -0.07 0.76 0.78 -0.51 0.95 0.00 0.00 175.26 177.16 1tei s LEU 9 N -1.08 5.62 -0.48 1.83 1.02 0.81 -0.85 118.68 125.55 1tei s LEU 9 Ca 0.16 -3.62 -0.29 0.00 0.02 0.00 0.00 54.13 50.40 1tei s LEU 9 Cb -0.12 -1.94 0.02 0.00 0.02 0.00 0.00 46.19 44.18 1tei s LEU 9 CO 0.05 -0.22 1.28 -0.62 0.02 0.00 0.00 176.35 176.86 1tei s ASP 10 N 0.10 6.43 0.08 2.29 -1.08 0.53 -2.04 116.67 122.99 1tei s ASP 10 Ca 0.27 0.52 0.15 0.00 -0.52 0.00 0.00 52.55 52.97 1tei s ASP 10 Cb -0.09 -2.55 -0.12 0.00 -1.46 0.00 0.00 42.92 38.70 1tei s ASP 10 CO -0.11 -1.41 0.93 0.71 0.52 0.00 0.00 175.17 175.81 1tei h THR 11 N 6.33 0.70 -3.34 1.71 1.35 -1.45 -1.09 112.91 117.12 1tei h THR 11 Ca -0.25 -2.24 -0.66 0.00 -0.55 0.00 0.00 66.41 62.70 1tei h THR 11 Cb 1.08 2.21 -0.29 0.00 -1.73 0.00 0.00 68.15 69.42 1tei h THR 11 CO 1.13 0.40 -0.75 -0.47 -0.25 0.00 0.00 175.52 175.58 1tei s TYR 12 N -2.86 2.92 -0.33 4.73 5.04 -1.14 -4.53 117.35 121.17 1tei s TYR 12 Ca -0.02 -1.06 -0.29 0.00 -2.44 0.00 0.00 57.07 53.26 1tei s TYR 12 Cb 0.08 -2.07 0.01 0.00 0.35 0.00 0.00 41.96 40.33 1tei s TYR 12 CO 0.80 -0.59 1.24 -1.25 -1.34 0.00 0.00 175.55 174.41 1tei s PRO 13 N 1.43 3.90 -0.94 4.97 0.04 -1.26 -4.97 135.00 138.18 1tei s PRO 13 Ca 0.06 1.10 -0.02 0.00 0.04 0.00 0.00 61.00 62.17 1tei s PRO 13 Cb -0.14 -3.86 0.25 0.00 0.04 0.00 0.00 34.50 30.79 1tei s PRO 13 CO -0.05 -1.13 0.96 0.09 0.04 0.00 0.00 177.00 176.91 1tei n ASN 14 N 7.56 4.77 -0.09 6.66 4.13 -1.26 -4.89 115.26 132.14 1tei n ASN 14 Ca 0.14 -3.21 0.19 0.00 1.68 0.00 0.00 54.58 53.39 1tei n ASN 14 Cb 0.47 -1.10 0.62 0.00 -1.54 0.00 0.00 39.78 38.23 1tei n ASN 14 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1tei h THR 15 N 3.76 0.73 0.00 3.41 1.35 -1.83 -1.13 112.91 119.20 1tei h THR 15 Ca 0.18 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1tei h THR 15 Cb 0.77 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1tei h THR 15 CO 0.97 0.03 0.00 -0.90 -0.25 0.00 0.00 175.52 175.37 1tei n ASP 16 N -4.41 0.00 -0.40 5.36 5.75 -1.26 -1.39 116.55 120.20 1tei n ASP 16 Ca 0.13 0.15 0.03 0.00 -0.01 0.00 0.00 54.79 55.10 1tei n ASP 16 Cb 0.62 -0.23 0.05 0.00 -1.03 0.00 0.00 41.12 40.53 1tei n ASP 16 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1tei n ILE 17 N -1.23 0.65 -0.02 2.12 -5.35 -0.46 -5.01 119.36 110.07 1tei n ILE 17 Ca 0.02 -0.83 0.00 0.00 -0.27 0.00 0.00 62.75 61.67 1tei n ILE 17 Cb 0.03 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 1tei n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tei n GLY 18 N -0.46 0.33 3.77 3.28 0.00 -0.48 -4.74 105.19 106.88 1tei n GLY 18 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1tei n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tei s ASP 19 N -2.58 6.01 0.96 1.61 1.11 -1.00 -4.94 116.67 117.84 1tei s ASP 19 Ca 0.00 2.38 -0.12 0.00 0.18 0.00 0.00 52.55 54.99 1tei s ASP 19 Cb 0.00 -2.61 0.17 0.00 1.07 0.00 0.00 42.92 41.55 1tei s ASP 19 CO 0.00 -1.03 1.10 -2.84 1.18 0.00 0.00 175.17 173.58 1tei s PRO 20 N -2.74 0.72 -0.09 8.23 0.02 -1.26 -4.03 135.00 135.85 1tei s PRO 20 Ca 0.65 0.55 0.01 0.00 0.02 0.00 0.00 61.00 62.23 1tei s PRO 20 Cb -0.31 -1.77 0.12 0.00 0.02 0.00 0.00 34.50 32.57 1tei s PRO 20 CO 0.37 -2.54 1.26 -1.13 -0.33 0.00 0.00 177.00 174.62 1tei n SER 21 N -4.05 3.41 -3.59 2.53 3.41 -1.26 -4.57 113.62 109.50 1tei n SER 21 Ca 0.06 -2.34 -0.11 0.00 -0.26 0.00 0.00 58.87 56.21 1tei n SER 21 Cb 0.57 -0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 63.86 1tei n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1tei s TYR 22 N -0.64 -0.28 0.45 7.33 -0.85 -1.26 -4.98 117.35 117.11 1tei s TYR 22 Ca 0.11 -0.01 -0.25 0.00 -0.52 0.00 0.00 57.07 56.40 1tei s TYR 22 Cb 0.09 0.33 -0.09 0.00 0.38 0.00 0.00 41.96 42.67 1tei s TYR 22 CO 0.02 -0.74 1.33 -2.30 -1.52 0.00 0.00 175.55 172.34 1tei n PRO 23 N -0.26 2.00 -3.93 -3.49 -0.02 -1.26 -4.70 135.00 123.33 1tei n PRO 23 Ca -0.16 0.71 -0.09 0.00 -2.02 0.00 0.00 63.50 61.94 1tei n PRO 23 Cb 0.64 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1tei n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1tei s HIS 24 N -1.21 0.18 0.03 6.00 -3.43 -0.41 -1.39 115.29 115.06 1tei s HIS 24 Ca 0.62 -0.61 0.07 0.00 -0.80 0.00 0.00 55.06 54.35 1tei s HIS 24 Cb -0.48 0.44 -0.03 0.00 -1.43 0.00 0.00 32.58 31.08 1tei s HIS 24 CO 0.57 -1.16 -0.21 0.96 -2.00 0.00 0.00 174.74 172.90 1tei s ILE 25 N -3.72 2.58 0.12 -5.38 -4.36 -0.90 -0.35 121.20 109.19 1tei s ILE 25 Ca 0.18 -1.20 -0.12 0.00 -0.26 0.00 0.00 60.65 59.26 1tei s ILE 25 Cb -0.03 -2.04 0.01 0.00 1.25 0.00 0.00 42.46 41.65 1tei s ILE 25 CO 0.09 0.39 0.30 -0.83 0.24 0.00 0.00 174.94 175.13 1tei s GLY 26 N -1.25 -0.01 -0.29 6.27 0.00 -0.03 -1.96 107.32 110.04 1tei s GLY 26 Ca 0.13 -0.41 -0.08 0.00 0.00 0.00 0.00 44.72 44.36 1tei s GLY 26 CO 0.03 -0.59 0.11 -0.42 0.00 0.00 0.00 173.10 172.23 1tei s ILE 27 N -3.85 4.28 -0.21 0.90 1.01 -0.53 -0.93 121.20 121.87 1tei s ILE 27 Ca 0.06 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.15 1tei s ILE 27 Cb 0.03 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1tei s ILE 27 CO -0.10 0.12 0.02 -1.81 0.00 0.00 0.00 174.94 173.17 1tei s ASP 28 N 1.56 4.93 -0.39 3.58 1.01 0.00 -1.12 116.67 126.25 1tei s ASP 28 Ca 0.04 -0.19 -0.01 0.00 0.71 0.00 0.00 52.55 53.11 1tei s ASP 28 Cb -0.17 -1.85 0.11 0.00 1.01 0.00 0.00 42.92 42.02 1tei s ASP 28 CO 0.04 0.05 0.16 -0.63 0.21 0.00 0.00 175.17 175.00 1tei s ILE 29 N 1.10 2.95 -0.30 0.77 -1.09 -1.26 -1.17 121.20 122.20 1tei s ILE 29 Ca 0.03 -2.18 0.00 0.00 -2.23 0.00 0.00 60.65 56.27 1tei s ILE 29 Cb -0.14 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 1tei s ILE 29 CO 0.02 -0.67 0.00 0.29 -1.23 0.00 0.00 174.94 173.35 1tei n LYS 30 N 4.45 -1.61 -3.62 2.79 5.02 0.12 -4.93 118.16 120.37 1tei n LYS 30 Ca 0.00 0.53 -0.15 0.00 -2.02 0.00 0.00 58.31 56.67 1tei n LYS 30 Cb 0.41 -4.79 -0.07 0.00 -0.02 0.00 0.00 35.03 30.56 1tei n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1tei s SER 31 N -2.13 -0.60 0.41 4.39 0.15 -1.26 -4.91 113.70 109.76 1tei s SER 31 Ca 0.00 0.93 0.29 0.00 0.70 0.00 0.00 55.95 57.87 1tei s SER 31 Cb 0.00 0.90 1.32 0.00 -1.71 0.00 0.00 66.02 66.53 1tei s SER 31 CO 0.00 -0.38 1.87 1.62 1.20 0.00 0.00 173.24 177.55 1tei h VAL 32 N 3.71 0.00 -1.96 4.45 3.04 -1.89 -3.38 116.25 120.23 1tei h VAL 32 Ca -0.28 -0.26 -0.59 0.00 -1.01 0.00 0.00 66.70 64.56 1tei h VAL 32 Cb 1.16 1.07 -0.11 0.00 -2.01 0.00 0.00 31.29 31.40 1tei h VAL 32 CO 0.24 0.00 1.11 -0.13 -1.01 0.00 0.00 177.57 177.79 1tei s ARG 33 N -3.57 3.37 0.16 4.17 0.52 -1.26 -4.97 118.95 117.38 1tei s ARG 33 Ca 0.01 -0.84 -0.33 0.00 -0.52 0.00 0.00 55.73 54.05 1tei s ARG 33 Cb 0.09 -4.71 -0.16 0.00 0.52 0.00 0.00 34.95 30.69 1tei s ARG 33 CO 0.41 -2.07 1.09 0.43 0.02 0.00 0.00 175.30 175.18 1tei n SER 34 N 8.59 0.98 0.14 0.23 7.64 -1.26 -4.81 113.62 125.13 1tei n SER 34 Ca 0.15 1.14 0.13 0.00 1.01 0.00 0.00 58.87 61.31 1tei n SER 34 Cb 0.49 -1.17 0.39 0.00 -1.01 0.00 0.00 64.21 62.92 1tei n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1tei h LYS 35 N 3.09 0.00 -1.83 1.43 1.79 -1.47 -3.45 116.57 116.13 1tei h LYS 35 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 1tei h LYS 35 Cb 1.36 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.78 1tei h LYS 35 CO 0.68 0.00 0.27 0.21 -1.08 0.00 0.00 179.45 179.53 1tei s LYS 36 N -3.20 0.71 0.23 3.15 2.47 -1.25 -5.02 119.74 116.83 1tei s LYS 36 Ca 0.08 0.82 -0.00 0.00 -1.56 0.00 0.00 55.97 55.31 1tei s LYS 36 Cb 0.10 0.34 -0.03 0.00 -1.46 0.00 0.00 37.83 36.78 1tei s LYS 36 CO 0.57 -0.09 0.19 0.95 0.16 0.00 0.00 175.35 177.13 1tei s THR 37 N 0.28 0.00 -0.12 3.43 -4.23 -1.26 -1.46 115.64 112.28 1tei s THR 37 Ca 0.01 -1.95 -0.18 0.00 -1.18 0.00 0.00 61.69 58.39 1tei s THR 37 Cb -0.05 -2.49 0.04 0.00 1.34 0.00 0.00 72.50 71.35 1tei s THR 37 CO -0.02 0.00 0.46 0.00 -0.54 0.00 0.00 174.62 174.52 1tei s ALA 38 N -3.98 -1.15 0.31 3.99 0.00 -0.83 -4.98 121.76 115.12 1tei s ALA 38 Ca 0.38 1.07 -0.29 0.00 0.00 0.00 0.00 51.96 53.11 1tei s ALA 38 Cb 0.05 -0.45 -0.11 0.00 0.00 0.00 0.00 23.12 22.61 1tei s ALA 38 CO 0.15 -0.25 1.53 0.21 0.00 0.00 0.00 175.76 177.39 1tei s LYS 39 N -0.35 4.15 -0.16 0.00 2.20 -1.26 -2.11 119.74 122.20 1tei s LYS 39 Ca -0.05 2.52 -0.01 0.00 -0.36 0.00 0.00 55.97 58.07 1tei s LYS 39 Cb -0.03 -3.02 0.04 0.00 -1.51 0.00 0.00 37.83 33.31 1tei s LYS 39 CO 0.03 -0.55 -0.05 -0.46 -0.36 0.00 0.00 175.35 173.96 1tei s TRP 40 N -0.41 1.63 -1.37 4.03 -0.00 -0.48 -4.75 118.94 117.58 1tei s TRP 40 Ca 0.59 -1.03 -0.15 0.00 -0.00 0.00 0.00 56.10 55.51 1tei s TRP 40 Cb -0.46 -1.28 0.07 0.00 -0.00 0.00 0.00 33.47 31.80 1tei s TRP 40 CO 0.52 -0.60 1.97 0.09 -0.00 0.00 0.00 176.95 178.93 1tei n ASN 41 N 4.90 4.44 -4.69 5.86 3.02 -1.26 -4.40 115.26 123.12 1tei n ASN 41 Ca -0.12 -2.90 -0.44 0.00 -0.03 0.00 0.00 54.58 51.10 1tei n ASN 41 Cb 0.48 -1.68 -0.03 0.00 -0.61 0.00 0.00 39.78 37.94 1tei n ASN 41 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1tei n MET 42 N 6.84 2.37 -3.70 3.52 0.00 -1.26 -4.98 117.12 119.92 1tei n MET 42 Ca 0.49 0.85 -0.38 0.00 -0.00 0.00 0.00 57.70 58.67 1tei n MET 42 Cb 0.42 -2.62 -0.11 0.00 0.00 0.00 0.00 33.22 30.91 1tei n MET 42 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1tei s GLN 43 N 0.49 2.21 0.04 2.12 -0.21 -1.26 -5.07 119.66 117.98 1tei s GLN 43 Ca 0.73 -1.75 -0.34 0.00 0.02 0.00 0.00 55.36 54.02 1tei s GLN 43 Cb -0.60 -3.69 -0.13 0.00 1.00 0.00 0.00 33.01 29.59 1tei s GLN 43 CO 0.40 -1.08 1.73 -1.71 -2.12 0.00 0.00 175.29 172.51 1tei n ASN 44 N 4.72 3.27 0.00 5.90 2.85 -1.26 -2.19 115.26 128.55 1tei n ASN 44 Ca -0.05 1.03 0.00 0.00 -0.11 0.00 0.00 54.58 55.45 1tei n ASN 44 Cb 0.41 -1.40 0.00 0.00 1.24 0.00 0.00 39.78 40.03 1tei n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1tei n GLY 45 N 3.90 1.23 3.61 8.20 0.00 0.07 -4.98 105.19 117.22 1tei n GLY 45 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1tei n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tei s LYS 46 N -0.40 2.43 -0.10 1.61 1.02 -0.93 -4.94 119.74 118.42 1tei s LYS 46 Ca 0.00 -0.83 -0.30 0.00 0.02 0.00 0.00 55.97 54.86 1tei s LYS 46 Cb 0.00 -2.45 -0.02 0.00 -0.52 0.00 0.00 37.83 34.84 1tei s LYS 46 CO 0.00 0.56 1.21 0.08 -0.92 0.00 0.00 175.35 176.28 1tei s VAL 47 N -1.12 4.30 0.42 3.17 1.01 -1.26 -4.24 120.40 122.68 1tei s VAL 47 Ca 0.20 1.60 0.07 0.00 0.00 0.00 0.00 61.98 63.85 1tei s VAL 47 Cb -0.11 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 1tei s VAL 47 CO 0.11 -0.06 0.11 -0.83 0.00 0.00 0.00 175.10 174.44 1tei s GLY 48 N 1.63 2.45 -0.03 4.51 0.00 0.29 -4.59 107.32 111.59 1tei s GLY 48 Ca 0.55 -2.05 0.04 0.00 0.00 0.00 0.00 44.72 43.25 1tei s GLY 48 CO 0.19 -2.00 -0.14 -1.59 0.00 0.00 0.00 173.10 169.56 1tei s THR 49 N -2.67 1.13 -0.02 0.90 2.01 -0.14 -1.31 115.64 115.55 1tei s THR 49 Ca 0.36 -0.57 0.07 0.00 0.31 0.00 0.00 61.69 61.87 1tei s THR 49 Cb 0.06 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 1tei s THR 49 CO 0.20 0.33 -0.25 0.00 -0.69 0.00 0.00 174.62 174.21 1tei s ALA 50 N -0.03 2.05 -0.07 7.40 0.00 0.10 -1.48 121.76 129.73 1tei s ALA 50 Ca -0.01 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 1tei s ALA 50 Cb -0.09 -0.53 0.03 0.00 0.00 0.00 0.00 23.12 22.53 1tei s ALA 50 CO 0.01 0.49 0.01 -1.58 0.00 0.00 0.00 175.76 174.69 1tei s HIS 51 N -0.54 0.57 -0.06 0.00 5.04 -0.23 -1.60 115.29 118.47 1tei s HIS 51 Ca 0.08 -0.10 0.02 0.00 -1.54 0.00 0.00 55.06 53.52 1tei s HIS 51 Cb -0.10 -0.75 -0.03 0.00 0.04 0.00 0.00 32.58 31.74 1tei s HIS 51 CO -0.01 -0.31 -0.10 0.42 -2.34 0.00 0.00 174.74 172.40 1tei s ILE 52 N 2.00 3.41 0.02 0.89 1.09 0.11 -1.33 121.20 127.39 1tei s ILE 52 Ca 0.05 -0.59 -0.03 0.00 -1.10 0.00 0.00 60.65 58.98 1tei s ILE 52 Cb -0.12 -2.37 -0.01 0.00 -1.06 0.00 0.00 42.46 38.89 1tei s ILE 52 CO -0.05 0.59 0.04 0.27 -0.10 0.00 0.00 174.94 175.70 1tei s ILE 53 N -0.76 0.11 -0.14 2.92 -4.36 -0.59 -0.66 121.20 117.72 1tei s ILE 53 Ca 0.12 -0.94 -0.29 0.00 -0.26 0.00 0.00 60.65 59.28 1tei s ILE 53 Cb -0.11 -0.51 0.08 0.00 1.25 0.00 0.00 42.46 43.17 1tei s ILE 53 CO 0.01 -0.51 0.74 -0.47 0.24 0.00 0.00 174.94 174.94 1tei s TYR 54 N -1.80 -0.66 -0.11 1.37 6.14 -0.94 -1.38 117.35 119.96 1tei s TYR 54 Ca -0.12 1.32 -0.12 0.00 0.64 0.00 0.00 57.07 58.79 1tei s TYR 54 Cb -0.07 0.37 0.03 0.00 0.42 0.00 0.00 41.96 42.72 1tei s TYR 54 CO -0.01 -0.50 0.33 0.54 0.64 0.00 0.00 175.55 176.54 1tei s ASN 55 N -0.65 -0.32 0.24 4.32 2.20 -1.26 -1.80 114.94 117.68 1tei s ASN 55 Ca -0.06 0.56 0.21 0.00 -0.94 0.00 0.00 52.86 52.64 1tei s ASN 55 Cb -0.02 0.61 0.96 0.00 -2.00 0.00 0.00 41.25 40.81 1tei s ASN 55 CO 0.06 -0.17 1.65 -1.54 -2.94 0.00 0.00 177.10 174.16 1tei n SER 56 N 2.63 0.57 0.00 3.54 3.41 0.62 -1.04 113.62 123.34 1tei n SER 56 Ca -0.14 0.67 -0.12 0.00 -0.26 0.00 0.00 58.87 59.01 1tei n SER 56 Cb 0.57 -0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 63.65 1tei n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1tei h VAL 57 N 0.00 1.25 0.00 -3.33 2.07 -1.90 -3.33 116.25 111.01 1tei h VAL 57 Ca 0.00 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.08 1tei h VAL 57 Cb 0.25 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1tei h VAL 57 CO 0.00 0.33 -0.84 0.44 0.02 0.00 0.00 177.57 177.52 1tei h ASP 58 N -0.73 0.00 -6.21 0.57 3.32 -1.98 -3.48 116.42 107.91 1tei h ASP 58 Ca -0.01 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.60 1tei h ASP 58 Cb 0.60 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.17 1tei h ASP 58 CO 0.01 0.29 -0.84 0.29 -1.72 0.00 0.00 179.24 177.27 1tei n LYS 59 N -2.94 -4.46 -3.86 3.56 5.02 -0.20 -4.87 118.16 110.40 1tei n LYS 59 Ca -0.02 0.56 -0.26 0.00 -2.02 0.00 0.00 58.31 56.57 1tei n LYS 59 Cb 0.68 -5.00 -0.17 0.00 -0.02 0.00 0.00 35.03 30.51 1tei n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1tei s ARG 60 N -6.17 1.21 -0.25 1.97 3.52 -1.25 -1.22 118.95 116.77 1tei s ARG 60 Ca 0.03 -0.18 -0.13 0.00 -0.13 0.00 0.00 55.73 55.32 1tei s ARG 60 Cb -0.01 -1.46 -0.04 0.00 -1.56 0.00 0.00 34.95 31.87 1tei s ARG 60 CO 0.83 -0.31 0.29 -1.17 -0.81 0.00 0.00 175.30 174.14 1tei s LEU 61 N 1.79 4.08 0.19 -0.88 2.96 -0.70 -4.08 118.68 122.03 1tei s LEU 61 Ca 0.04 0.24 0.07 0.00 -0.22 0.00 0.00 54.13 54.27 1tei s LEU 61 Cb -0.13 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 1tei s LEU 61 CO -0.07 -0.08 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.29 1tei s SER 62 N 1.41 2.49 -0.08 3.68 0.01 -0.48 -1.82 113.70 118.90 1tei s SER 62 Ca 0.13 -0.97 -0.12 0.00 1.31 0.00 0.00 55.95 56.30 1tei s SER 62 Cb -0.15 -0.13 0.03 0.00 0.21 0.00 0.00 66.02 65.98 1tei s SER 62 CO 0.08 -0.15 0.30 0.00 0.41 0.00 0.00 173.24 173.88 1tei s ALA 63 N -2.74 -0.74 -0.03 1.44 0.00 -0.50 -1.54 121.76 117.64 1tei s ALA 63 Ca 0.20 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.83 1tei s ALA 63 Cb -0.02 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1tei s ALA 63 CO 0.06 -0.18 -0.08 0.08 0.00 0.00 0.00 175.76 175.64 1tei s VAL 64 N -0.35 0.72 -0.05 0.00 1.01 -0.44 -2.03 120.40 119.26 1tei s VAL 64 Ca -0.05 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1tei s VAL 64 Cb -0.03 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.69 1tei s VAL 64 CO 0.02 0.24 -0.14 -0.69 0.00 0.00 0.00 175.10 174.53 1tei s VAL 65 N 0.38 1.21 0.18 2.92 1.01 -0.61 -1.07 120.40 124.43 1tei s VAL 65 Ca -0.06 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 1tei s VAL 65 Cb -0.10 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1tei s VAL 65 CO 0.01 0.36 0.45 -0.94 0.00 0.00 0.00 175.10 174.98 1tei s SER 66 N 0.39 -0.19 0.18 3.32 1.04 -0.55 -1.02 113.70 116.88 1tei s SER 66 Ca -0.10 -0.54 0.08 0.00 0.48 0.00 0.00 55.95 55.87 1tei s SER 66 Cb -0.14 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1tei s SER 66 CO 0.03 -0.99 -0.16 -0.31 0.98 0.00 0.00 173.24 172.79 1tei s TYR 67 N -3.88 1.76 0.10 5.02 2.02 -1.26 -0.96 117.35 120.14 1tei s TYR 67 Ca 0.10 -0.51 -0.33 0.00 -0.37 0.00 0.00 57.07 55.95 1tei s TYR 67 Cb 0.00 -0.85 -0.13 0.00 -0.40 0.00 0.00 41.96 40.59 1tei s TYR 67 CO -0.04 0.35 1.70 -2.30 -1.57 0.00 0.00 175.55 173.69 1tei n PRO 68 N -0.02 2.30 -3.44 -1.71 -0.02 -1.26 -3.03 135.00 127.82 1tei n PRO 68 Ca -0.11 0.83 -0.17 0.00 -2.02 0.00 0.00 63.50 62.03 1tei n PRO 68 Cb 0.59 -2.64 0.02 0.00 -0.02 0.00 0.00 33.50 31.44 1tei n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1tei n ASN 69 N 4.56 -6.25 -3.55 2.55 5.03 -1.26 -5.01 115.26 111.33 1tei n ASN 69 Ca 0.18 -0.64 -0.10 0.00 0.87 0.00 0.00 54.58 54.89 1tei n ASN 69 Cb 0.31 -3.87 -0.04 0.00 -1.02 0.00 0.00 39.78 35.15 1tei n ASN 69 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1tei s ALA 70 N -3.18 -1.90 0.51 5.41 0.00 -1.17 -5.15 121.76 116.28 1tei s ALA 70 Ca 0.20 1.40 -0.22 0.00 0.00 0.00 0.00 51.96 53.35 1tei s ALA 70 Cb -0.06 -0.32 -0.06 0.00 0.00 0.00 0.00 23.12 22.68 1tei s ALA 70 CO 0.82 -0.43 1.19 -0.51 0.00 0.00 0.00 175.76 176.82 1tei s ASP 71 N -1.56 5.82 0.31 0.00 1.01 -1.26 -4.59 116.67 116.41 1tei s ASP 71 Ca 0.00 2.36 0.03 0.00 0.71 0.00 0.00 52.55 55.65 1tei s ASP 71 Cb -0.01 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 1tei s ASP 71 CO -0.01 -1.16 0.47 -0.94 0.21 0.00 0.00 175.17 173.74 1tei s SER 72 N -1.41 6.23 -0.11 0.27 1.04 -1.26 -4.64 113.70 113.82 1tei s SER 72 Ca 0.68 0.20 -0.03 0.00 0.48 0.00 0.00 55.95 57.29 1tei s SER 72 Cb -0.30 -1.82 -0.03 0.00 0.10 0.00 0.00 66.02 63.97 1tei s SER 72 CO 0.35 -0.25 -0.01 0.00 0.98 0.00 0.00 173.24 174.31 1tei s ALA 73 N -2.18 3.19 -0.01 5.32 0.00 -0.19 -4.95 121.76 122.93 1tei s ALA 73 Ca 0.39 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.58 1tei s ALA 73 Cb -0.09 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.50 1tei s ALA 73 CO 0.33 0.45 -0.15 0.99 0.00 0.00 0.00 175.76 177.38 1tei s THR 74 N -0.44 1.19 -0.07 0.00 2.01 -1.26 -1.57 115.64 115.50 1tei s THR 74 Ca 0.08 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 1tei s THR 74 Cb -0.12 -0.99 0.02 0.00 0.01 0.00 0.00 72.50 71.42 1tei s THR 74 CO 0.02 0.33 0.19 0.54 -0.69 0.00 0.00 174.62 175.01 1tei s VAL 75 N -0.36 -0.01 0.08 3.82 0.11 -0.86 -4.76 120.40 118.42 1tei s VAL 75 Ca 0.06 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.16 1tei s VAL 75 Cb -0.06 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1tei s VAL 75 CO -0.01 0.01 -0.06 -0.44 -3.33 0.00 0.00 175.10 171.28 1tei s SER 76 N 0.33 0.96 -0.28 3.54 0.01 -1.26 -1.41 113.70 115.59 1tei s SER 76 Ca -0.02 -0.88 -0.20 0.00 1.31 0.00 0.00 55.95 56.16 1tei s SER 76 Cb -0.03 0.09 0.09 0.00 0.21 0.00 0.00 66.02 66.38 1tei s SER 76 CO -0.01 -0.42 0.77 -0.47 0.41 0.00 0.00 173.24 173.52 1tei s TYR 77 N -3.06 -0.85 -0.22 2.43 5.04 -0.76 -4.96 117.35 114.98 1tei s TYR 77 Ca 0.05 1.86 -0.28 0.00 -2.44 0.00 0.00 57.07 56.26 1tei s TYR 77 Cb 0.02 0.44 0.00 0.00 0.35 0.00 0.00 41.96 42.77 1tei s TYR 77 CO -0.04 -0.42 0.99 -0.51 -1.34 0.00 0.00 175.55 174.24 1tei s ASP 78 N 0.99 7.07 -0.18 4.32 1.01 -1.26 -1.72 116.67 126.89 1tei s ASP 78 Ca -0.05 1.34 -0.09 0.00 0.71 0.00 0.00 52.55 54.45 1tei s ASP 78 Cb -0.05 -2.52 0.07 0.00 1.01 0.00 0.00 42.92 41.43 1tei s ASP 78 CO -0.10 -0.61 0.44 0.54 0.21 0.00 0.00 175.17 175.65 1tei s VAL 79 N 2.96 -0.13 -0.60 -1.27 0.11 -0.35 -4.99 120.40 116.13 1tei s VAL 79 Ca 0.43 0.10 -0.20 0.00 -2.93 0.00 0.00 61.98 59.38 1tei s VAL 79 Cb -0.15 -0.65 0.09 0.00 -1.53 0.00 0.00 36.38 34.13 1tei s VAL 79 CO 0.08 0.04 0.77 -0.62 -3.33 0.00 0.00 175.10 172.03 1tei s ASP 80 N 1.62 6.19 0.55 3.54 2.15 -1.26 -4.38 116.67 125.08 1tei s ASP 80 Ca -0.08 -1.26 0.36 0.00 0.43 0.00 0.00 52.55 52.00 1tei s ASP 80 Cb -0.09 -2.33 1.97 0.00 -0.30 0.00 0.00 42.92 42.17 1tei s ASP 80 CO -0.13 -1.18 2.11 -0.07 -0.17 0.00 0.00 175.17 175.72 1tei h LEU 81 N 10.31 0.00 -1.85 -1.34 3.38 -1.98 -2.00 115.31 121.83 1tei h LEU 81 Ca -0.29 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1tei h LEU 81 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1tei h LEU 81 CO 1.11 0.00 -0.11 0.44 0.09 0.00 0.00 178.44 179.97 1tei h ASP 82 N 0.00 0.00 -0.00 -0.43 3.32 -1.90 -1.37 116.42 116.04 1tei h ASP 82 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1tei h ASP 82 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1tei h ASP 82 CO 0.00 0.11 -0.13 0.59 -1.72 0.00 0.00 179.24 178.09 1tei n ASN 83 N -4.20 2.38 -0.05 6.45 3.02 -0.75 -4.58 115.26 117.52 1tei n ASN 83 Ca -0.03 -1.72 -0.09 0.00 -0.03 0.00 0.00 54.58 52.71 1tei n ASN 83 Cb 0.19 0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.44 1tei n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1tei n VAL 84 N 0.69 0.61 -4.07 2.41 0.31 -0.69 -5.07 118.33 112.53 1tei n VAL 84 Ca 0.14 -0.20 -0.30 0.00 -0.01 0.00 0.00 64.34 63.97 1tei n VAL 84 Cb 0.51 -1.21 -0.06 0.00 -0.91 0.00 0.00 33.84 32.17 1tei n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1tei s LEU 85 N -6.05 3.76 0.92 7.52 1.43 -0.60 -4.94 118.68 120.71 1tei s LEU 85 Ca -0.15 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 52.78 1tei s LEU 85 Cb 0.05 -2.43 0.14 0.00 0.03 0.00 0.00 46.19 43.98 1tei s LEU 85 CO 0.23 0.15 1.09 -2.16 0.23 0.00 0.00 176.35 175.89 1tei s PRO 86 N -2.51 1.06 0.25 1.29 0.04 -1.26 -4.77 135.00 129.09 1tei s PRO 86 Ca 0.29 0.79 -0.03 0.00 0.04 0.00 0.00 61.00 62.09 1tei s PRO 86 Cb -0.12 -1.79 0.44 0.00 0.04 0.00 0.00 34.50 33.08 1tei s PRO 86 CO 0.22 -2.37 1.79 1.49 0.04 0.00 0.00 177.00 178.17 1tei h GLU 87 N -1.64 0.70 -5.77 4.56 4.81 -1.95 -3.41 114.58 111.88 1tei h GLU 87 Ca -0.50 -0.04 -0.67 0.00 -0.13 0.00 0.00 59.36 58.02 1tei h GLU 87 Cb 1.29 -0.16 -0.20 0.00 0.63 0.00 0.00 28.75 30.31 1tei h GLU 87 CO 0.55 0.47 -0.68 -1.58 -0.73 0.00 0.00 179.01 177.03 1tei s TRP 88 N -6.01 2.98 0.27 0.92 0.52 -1.26 -1.74 118.94 114.61 1tei s TRP 88 Ca -0.12 -0.13 0.02 0.00 0.02 0.00 0.00 56.10 55.89 1tei s TRP 88 Cb 0.20 -1.81 -0.01 0.00 -1.15 0.00 0.00 33.47 30.70 1tei s TRP 88 CO 0.78 0.17 0.30 1.33 0.02 0.00 0.00 176.95 179.56 1tei n VAL 89 N 2.77 0.00 -4.32 4.03 0.24 -0.12 -4.30 118.33 116.63 1tei n VAL 89 Ca -0.18 -1.64 -0.20 0.00 -2.04 0.00 0.00 64.34 60.29 1tei n VAL 89 Cb 0.53 0.90 -0.13 0.00 -1.47 0.00 0.00 33.84 33.67 1tei n VAL 89 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1tei s ARG 90 N -2.83 0.92 0.13 7.34 0.52 -0.00 0.28 118.95 125.30 1tei s ARG 90 Ca 0.27 -0.81 0.08 0.00 -0.52 0.00 0.00 55.73 54.75 1tei s ARG 90 Cb 0.00 -0.94 -0.04 0.00 0.52 0.00 0.00 34.95 34.50 1tei s ARG 90 CO 0.19 0.23 -0.11 0.14 0.02 0.00 0.00 175.30 175.77 1tei s VAL 91 N -0.94 3.26 0.12 3.52 -7.23 -1.26 -1.10 120.40 116.77 1tei s VAL 91 Ca 0.01 -1.41 -0.13 0.00 -1.81 0.00 0.00 61.98 58.64 1tei s VAL 91 Cb -0.08 -2.55 0.05 0.00 0.56 0.00 0.00 36.38 34.35 1tei s VAL 91 CO 0.02 0.04 0.63 0.61 -0.31 0.00 0.00 175.10 176.09 1tei n GLY 92 N 0.52 0.89 3.27 2.32 0.00 0.39 -1.81 105.19 110.76 1tei n GLY 92 Ca -0.13 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.55 1tei n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tei s LEU 93 N 0.00 2.11 0.06 0.99 1.43 0.26 -0.44 118.68 123.09 1tei s LEU 93 Ca 0.14 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1tei s LEU 93 Cb -0.02 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 45.04 1tei s LEU 93 CO 0.04 0.24 -0.09 -0.55 0.23 0.00 0.00 176.35 176.22 1tei s SER 94 N -0.89 1.09 0.07 2.29 0.15 0.12 -1.48 113.70 115.05 1tei s SER 94 Ca 0.09 -0.68 -0.25 0.00 0.70 0.00 0.00 55.95 55.81 1tei s SER 94 Cb -0.09 0.03 0.06 0.00 -1.71 0.00 0.00 66.02 64.32 1tei s SER 94 CO 0.01 -0.24 0.60 0.00 1.20 0.00 0.00 173.24 174.80 1tei s ALA 95 N -1.92 -1.56 0.19 5.45 0.00 -0.74 0.74 121.76 123.91 1tei s ALA 95 Ca -0.03 0.75 -0.19 0.00 0.00 0.00 0.00 51.96 52.49 1tei s ALA 95 Cb -0.06 0.48 0.04 0.00 0.00 0.00 0.00 23.12 23.58 1tei s ALA 95 CO -0.00 -0.58 0.56 -1.54 0.00 0.00 0.00 175.76 174.20 1tei s SER 96 N -2.08 -0.35 0.20 0.00 1.04 -1.11 -2.04 113.70 109.37 1tei s SER 96 Ca -0.04 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1tei s SER 96 Cb -0.01 0.59 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 1tei s SER 96 CO -0.03 -1.05 0.08 0.42 0.98 0.00 0.00 173.24 173.64 1tei s THR 97 N -3.84 0.35 0.00 2.02 -4.23 0.06 -0.46 115.64 109.54 1tei s THR 97 Ca 0.06 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1tei s THR 97 Cb -0.01 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1tei s THR 97 CO -0.05 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1tei n GLY 98 N -0.30 3.57 0.20 3.99 0.00 -1.26 -0.82 105.19 110.57 1tei n GLY 98 Ca -0.02 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 1tei n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1tei h LEU 99 N 0.00 0.89 -9.73 0.99 5.85 -1.97 0.29 115.31 111.64 1tei h LEU 99 Ca 0.00 -0.68 -0.64 0.00 0.84 0.00 0.00 57.88 57.40 1tei h LEU 99 Cb 0.00 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 40.69 1tei h LEU 99 CO 0.00 1.48 -0.52 -0.31 -0.34 0.00 0.00 178.44 178.75 1tei s TYR 100 N -3.44 3.47 0.48 1.25 2.02 -1.26 -4.87 117.35 115.00 1tei s TYR 100 Ca -0.10 0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.93 1tei s TYR 100 Cb 0.08 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.83 1tei s TYR 100 CO 0.91 0.62 0.06 0.36 -1.57 0.00 0.00 175.55 175.94 1tei n LYS 101 N 1.02 0.66 -3.62 -0.62 0.00 -1.25 -4.41 118.16 109.95 1tei n LYS 101 Ca -0.12 -3.72 -0.02 0.00 -0.00 0.00 0.00 58.31 54.45 1tei n LYS 101 Cb 0.53 1.40 -0.02 0.00 -0.00 0.00 0.00 35.03 36.94 1tei n LYS 101 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1tei s GLU 102 N -3.78 0.16 0.13 -1.58 -1.05 -1.15 -3.22 118.70 108.21 1tei s GLU 102 Ca 0.09 -0.06 -0.15 0.00 -0.15 0.00 0.00 54.97 54.69 1tei s GLU 102 Cb 0.00 0.07 -0.07 0.00 -0.44 0.00 0.00 34.13 33.69 1tei s GLU 102 CO 0.06 -0.07 0.55 0.95 0.95 0.00 0.00 175.26 177.71 1tei s THR 103 N -2.21 4.84 -0.60 1.83 -4.23 0.23 -4.73 115.64 110.78 1tei s THR 103 Ca 0.11 0.89 0.06 0.00 -1.18 0.00 0.00 61.69 61.58 1tei s THR 103 Cb 0.00 -3.76 0.26 0.00 1.34 0.00 0.00 72.50 70.34 1tei s THR 103 CO -0.04 0.30 0.75 0.59 -0.54 0.00 0.00 174.62 175.68 1tei n ASN 104 N 0.96 3.39 -4.72 3.99 4.13 -1.26 -3.48 115.26 118.26 1tei n ASN 104 Ca -0.06 -3.38 -0.39 0.00 1.68 0.00 0.00 54.58 52.42 1tei n ASN 104 Cb 0.52 -0.65 -0.05 0.00 -1.54 0.00 0.00 39.78 38.06 1tei n ASN 104 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1tei s THR 105 N -2.58 5.07 -0.25 3.41 2.01 -1.13 -1.91 115.64 120.25 1tei s THR 105 Ca 0.41 1.37 -0.06 0.00 0.31 0.00 0.00 61.69 63.72 1tei s THR 105 Cb 0.17 -4.01 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 1tei s THR 105 CO -0.04 0.26 0.03 -0.63 -0.69 0.00 0.00 174.62 173.55 1tei s ILE 106 N 0.78 3.78 -0.19 1.82 -1.09 0.24 -0.98 121.20 125.56 1tei s ILE 106 Ca 0.36 -0.51 0.20 0.00 -2.23 0.00 0.00 60.65 58.47 1tei s ILE 106 Cb -0.17 -2.82 -0.05 0.00 -1.58 0.00 0.00 42.46 37.83 1tei s ILE 106 CO 0.17 0.27 0.96 0.18 -1.23 0.00 0.00 174.94 175.30 1tei n LEU 107 N 4.84 0.85 -3.49 2.97 4.32 -0.09 -1.67 117.00 124.72 1tei n LEU 107 Ca -0.16 0.35 -0.11 0.00 -0.02 0.00 0.00 56.01 56.06 1tei n LEU 107 Cb 0.50 -0.01 -0.03 0.00 -1.62 0.00 0.00 43.42 42.26 1tei n LEU 107 CO 0.30 -0.07 0.60 -0.94 -1.22 0.00 0.00 177.39 176.06 1tei s SER 108 N -5.50 -0.45 -0.27 -1.43 1.04 -1.24 -4.46 113.70 101.38 1tei s SER 108 Ca -0.01 0.14 -0.19 0.00 0.48 0.00 0.00 55.95 56.37 1tei s SER 108 Cb 0.09 0.44 0.08 0.00 0.10 0.00 0.00 66.02 66.73 1tei s SER 108 CO 0.80 -0.67 0.69 0.86 0.98 0.00 0.00 173.24 175.90 1tei s TRP 109 N -2.77 -0.96 0.03 5.02 -0.00 -0.32 -1.97 118.94 117.97 1tei s TRP 109 Ca 0.01 2.05 -0.00 0.00 -0.00 0.00 0.00 56.10 58.16 1tei s TRP 109 Cb -0.01 0.51 -0.03 0.00 -0.00 0.00 0.00 33.47 33.94 1tei s TRP 109 CO -0.06 -0.47 -0.03 -1.54 -0.00 0.00 0.00 176.95 174.84 1tei s SER 110 N 1.20 0.35 -0.11 5.86 1.04 0.10 -0.32 113.70 121.82 1tei s SER 110 Ca -0.07 -0.67 -0.12 0.00 0.48 0.00 0.00 55.95 55.58 1tei s SER 110 Cb -0.05 0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.23 1tei s SER 110 CO -0.13 -0.40 0.33 0.12 0.98 0.00 0.00 173.24 174.15 1tei s PHE 111 N -2.27 -0.34 -0.03 5.02 5.36 -0.57 -1.44 117.98 123.70 1tei s PHE 111 Ca -0.08 0.81 -0.01 0.00 -0.96 0.00 0.00 56.93 56.69 1tei s PHE 111 Cb -0.04 0.12 0.03 0.00 -0.34 0.00 0.00 43.02 42.79 1tei s PHE 111 CO -0.04 -0.21 0.05 0.99 -1.46 0.00 0.00 175.22 174.56 1tei s THR 112 N -0.03 -0.08 -0.05 0.12 2.01 -0.06 -1.89 115.64 115.67 1tei s THR 112 Ca -0.02 0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.28 1tei s THR 112 Cb -0.03 -0.12 0.00 0.00 0.01 0.00 0.00 72.50 72.37 1tei s THR 112 CO 0.01 0.11 -0.15 -0.55 -0.69 0.00 0.00 174.62 173.35 1tei s SER 113 N 1.35 1.93 -0.01 3.53 0.15 -0.00 -0.48 113.70 120.16 1tei s SER 113 Ca -0.06 -0.32 0.02 0.00 0.70 0.00 0.00 55.95 56.30 1tei s SER 113 Cb -0.13 -0.61 -0.00 0.00 -1.71 0.00 0.00 66.02 63.57 1tei s SER 113 CO -0.03 0.11 -0.07 -0.54 1.20 0.00 0.00 173.24 173.91 1tei s LYS 114 N 0.20 0.66 -0.12 5.44 1.02 0.15 -1.33 119.74 125.75 1tei s LYS 114 Ca -0.06 -0.24 -0.00 0.00 0.02 0.00 0.00 55.97 55.69 1tei s LYS 114 Cb -0.12 -0.64 0.02 0.00 -0.52 0.00 0.00 37.83 36.58 1tei s LYS 114 CO 0.02 0.12 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.97 1tei s LEU 115 N 0.03 1.28 -0.21 3.17 1.43 0.05 -0.99 118.68 123.43 1tei s LEU 115 Ca 0.00 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1tei s LEU 115 Cb -0.05 -0.91 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 1tei s LEU 115 CO -0.00 -0.11 -0.06 -0.75 0.23 0.00 0.00 176.35 175.66 1tei s LYS 116 N 1.66 3.33 0.53 1.70 2.20 0.70 -0.37 119.74 129.50 1tei s LYS 116 Ca 0.05 -0.65 0.07 0.00 -0.36 0.00 0.00 55.97 55.08 1tei s LYS 116 Cb -0.13 -2.95 0.09 0.00 -1.51 0.00 0.00 37.83 33.34 1tei s LYS 116 CO -0.09 -0.18 0.74 0.43 -0.36 0.00 0.00 175.35 175.88 1tei n SER 117 N 4.73 1.71 -3.31 1.43 7.64 -1.09 0.14 113.62 124.86 1tei n SER 117 Ca -0.19 -2.27 -0.28 0.00 1.01 0.00 0.00 58.87 57.14 1tei n SER 117 Cb 0.51 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 1tei n SER 117 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1tei n ASN 118 N -2.52 4.13 -3.46 6.43 4.13 -1.21 -4.63 115.26 118.12 1tei n ASN 118 Ca 0.14 -2.43 -0.14 0.00 1.68 0.00 0.00 54.58 53.83 1tei n ASN 118 Cb 0.52 -1.10 -0.04 0.00 -1.54 0.00 0.00 39.78 37.63 1tei n ASN 118 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1tei s SER 119 N 3.90 -0.60 -0.11 6.41 0.01 -1.26 -5.10 113.70 116.96 1tei s SER 119 Ca 0.44 0.29 -0.29 0.00 1.31 0.00 0.00 55.95 57.71 1tei s SER 119 Cb 0.11 0.57 -0.06 0.00 0.21 0.00 0.00 66.02 66.85 1tei s SER 119 CO 0.01 -0.81 2.00 0.42 0.41 0.00 0.00 173.24 175.28 1tei s THR 120 N -2.67 3.14 0.00 1.44 -4.23 -1.26 -2.87 115.64 109.18 1tei s THR 120 Ca -0.04 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 1tei s THR 120 Cb -0.01 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1tei s THR 120 CO -0.03 -0.05 0.00 1.57 -0.54 0.00 0.00 174.62 175.56 1tei n HIS 121 N 9.32 0.00 -2.40 3.99 -0.00 -1.26 -4.83 115.22 120.05 1tei n HIS 121 Ca 0.24 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.59 1tei n HIS 121 Cb 0.43 -1.49 -0.03 0.00 -0.00 0.00 0.00 29.99 28.90 1tei n HIS 121 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1tei s GLU 122 N -1.30 3.34 -0.06 1.57 2.02 -1.14 -4.91 118.70 118.22 1tei s GLU 122 Ca 0.00 -1.16 0.05 0.00 0.02 0.00 0.00 54.97 53.88 1tei s GLU 122 Cb 0.00 -5.33 -0.01 0.00 0.10 0.00 0.00 34.13 28.89 1tei s GLU 122 CO 0.00 -2.68 -0.22 0.99 0.02 0.00 0.00 175.26 173.37 1tei s THR 123 N 6.59 2.36 -0.10 3.63 2.01 -1.26 -2.68 115.64 126.19 1tei s THR 123 Ca 0.56 -0.96 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 1tei s THR 123 Cb -0.01 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 1tei s THR 123 CO -0.01 0.57 -0.01 0.20 -0.69 0.00 0.00 174.62 174.68 1tei s ASN 124 N -0.24 5.10 0.07 3.53 -0.87 0.50 -4.95 114.94 118.08 1tei s ASN 124 Ca -0.01 0.07 -0.08 0.00 -1.57 0.00 0.00 52.86 51.27 1tei s ASN 124 Cb -0.13 -1.50 -0.00 0.00 -0.02 0.00 0.00 41.25 39.59 1tei s ASN 124 CO 0.03 0.33 0.18 0.00 -2.57 0.00 0.00 177.10 175.07 1tei s ALA 125 N -0.61 -0.23 -0.02 0.60 0.00 -1.26 -0.77 121.76 119.48 1tei s ALA 125 Ca 0.10 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 1tei s ALA 125 Cb -0.12 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.42 1tei s ALA 125 CO 0.02 -0.45 0.04 -1.17 0.00 0.00 0.00 175.76 174.20 1tei s LEU 126 N -2.59 1.55 -0.18 0.00 2.96 -0.45 -5.01 118.68 114.97 1tei s LEU 126 Ca 0.01 0.08 -0.13 0.00 -0.22 0.00 0.00 54.13 53.87 1tei s LEU 126 Cb 0.03 0.08 0.05 0.00 0.50 0.00 0.00 46.19 46.85 1tei s LEU 126 CO -0.08 -0.06 0.45 -2.28 -1.32 0.00 0.00 176.35 173.06 1tei s HIS 127 N 0.42 -0.58 0.01 5.38 5.65 -1.26 -0.82 115.29 124.09 1tei s HIS 127 Ca -0.03 1.30 -0.02 0.00 0.25 0.00 0.00 55.06 56.56 1tei s HIS 127 Cb -0.05 0.24 -0.01 0.00 -1.18 0.00 0.00 32.58 31.58 1tei s HIS 127 CO -0.01 -0.30 0.02 -0.59 -0.65 0.00 0.00 174.74 173.20 1tei s PHE 128 N 0.81 0.18 -0.10 3.88 -0.12 -0.79 -5.01 117.98 116.83 1tei s PHE 128 Ca -0.05 -0.37 -0.04 0.00 -0.05 0.00 0.00 56.93 56.42 1tei s PHE 128 Cb -0.05 -0.14 0.05 0.00 -0.63 0.00 0.00 43.02 42.25 1tei s PHE 128 CO -0.06 -0.20 0.21 1.41 -0.05 0.00 0.00 175.22 176.53 1tei s MET 129 N -1.29 0.11 -0.23 1.99 1.75 -1.26 -1.52 119.30 118.86 1tei s MET 129 Ca -0.14 0.60 -0.01 0.00 -1.25 0.00 0.00 55.69 54.88 1tei s MET 129 Cb -0.08 -0.15 0.02 0.00 2.84 0.00 0.00 34.83 37.46 1tei s MET 129 CO -0.00 -0.25 -0.09 -0.06 -0.65 0.00 0.00 175.02 173.96 1tei s PHE 130 N 1.99 3.00 -0.76 4.11 0.08 0.56 -4.93 117.98 122.03 1tei s PHE 130 Ca -0.02 -1.52 0.09 0.00 0.12 0.00 0.00 56.93 55.60 1tei s PHE 130 Cb -0.12 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.29 1tei s PHE 130 CO -0.07 -0.73 0.56 0.09 -0.10 0.00 0.00 175.22 174.97 1tei n ASN 131 N 4.66 1.04 -3.65 1.36 3.02 -1.26 -1.17 115.26 119.27 1tei n ASN 131 Ca -0.18 -1.02 -0.10 0.00 -0.03 0.00 0.00 54.58 53.26 1tei n ASN 131 Cb 0.48 0.53 -0.08 0.00 -0.61 0.00 0.00 39.78 40.11 1tei n ASN 131 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1tei s GLN 132 N -1.33 0.68 -0.10 3.52 0.74 -1.26 -4.80 119.66 117.12 1tei s GLN 132 Ca 0.07 1.07 -0.02 0.00 0.05 0.00 0.00 55.36 56.53 1tei s GLN 132 Cb 0.07 0.18 -0.03 0.00 1.10 0.00 0.00 33.01 34.33 1tei s GLN 132 CO 0.24 -0.13 0.00 -0.06 -0.55 0.00 0.00 175.29 174.79 1tei s PHE 133 N 1.23 3.16 0.45 1.67 0.08 0.01 -5.03 117.98 119.56 1tei s PHE 133 Ca -0.07 0.15 0.07 0.00 0.12 0.00 0.00 56.93 57.20 1tei s PHE 133 Cb -0.05 -1.82 0.02 0.00 -0.57 0.00 0.00 43.02 40.59 1tei s PHE 133 CO -0.13 0.41 0.62 -1.54 -0.10 0.00 0.00 175.22 174.49 1tei s SER 134 N -0.70 5.55 0.37 1.36 1.04 -1.26 -4.13 113.70 115.92 1tei s SER 134 Ca 0.11 -0.36 0.10 0.00 0.48 0.00 0.00 55.95 56.28 1tei s SER 134 Cb -0.12 -0.65 0.72 0.00 0.10 0.00 0.00 66.02 66.07 1tei s SER 134 CO 0.02 -0.87 1.85 0.50 0.98 0.00 0.00 173.24 175.72 1tei h LYS 135 N 0.50 0.14 -2.84 4.02 3.64 -1.87 -3.26 116.57 116.90 1tei h LYS 135 Ca -0.40 -0.05 -0.62 0.00 -1.27 0.00 0.00 60.65 58.31 1tei h LYS 135 Cb 1.28 -0.01 -0.41 0.00 -0.41 0.00 0.00 32.23 32.68 1tei h LYS 135 CO 0.46 0.41 -0.52 -3.47 -2.27 0.00 0.00 179.45 174.05 1tei n ASP 136 N -4.17 3.39 -4.39 4.20 2.03 -1.26 -4.76 116.55 111.59 1tei n ASP 136 Ca -0.01 -3.28 -0.44 0.00 0.52 0.00 0.00 54.79 51.58 1tei n ASP 136 Cb 0.35 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 1tei n ASP 136 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1tei n GLN 137 N 1.64 3.38 0.10 -0.67 -0.06 -1.23 -4.87 117.38 115.67 1tei n GLN 137 Ca 0.23 -3.72 0.06 0.00 -2.00 0.00 0.00 57.00 51.57 1tei n GLN 137 Cb 0.37 -3.08 0.33 0.00 -4.06 0.00 0.00 30.24 23.80 1tei n GLN 137 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1tei n LYS 138 N 5.72 0.08 -0.75 3.69 5.02 -1.26 -1.67 118.16 128.98 1tei n LYS 138 Ca 0.39 0.55 0.08 0.00 -2.02 0.00 0.00 58.31 57.32 1tei n LYS 138 Cb 0.42 -1.83 0.39 0.00 -0.02 0.00 0.00 35.03 33.99 1tei n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1tei n ASP 139 N -1.92 5.26 -4.18 4.39 5.68 -1.26 -4.89 116.55 119.63 1tei n ASP 139 Ca -0.01 -2.67 -0.25 0.00 -0.50 0.00 0.00 54.79 51.36 1tei n ASP 139 Cb 0.09 -0.63 -0.15 0.00 -1.14 0.00 0.00 41.12 39.29 1tei n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1tei s LEU 140 N -2.27 2.06 -0.39 -2.12 1.43 -0.67 -1.40 118.68 115.32 1tei s LEU 140 Ca 0.53 -0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 53.19 1tei s LEU 140 Cb 0.37 -0.90 0.06 0.00 0.03 0.00 0.00 46.19 45.75 1tei s LEU 140 CO 0.21 0.20 0.21 -0.63 0.23 0.00 0.00 176.35 176.57 1tei s ILE 141 N -0.49 4.24 -0.05 -0.59 1.01 0.30 -4.86 121.20 120.76 1tei s ILE 141 Ca 0.07 -1.20 -0.18 0.00 0.00 0.00 0.00 60.65 59.34 1tei s ILE 141 Cb -0.07 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 1tei s ILE 141 CO -0.00 -0.37 0.49 -0.76 0.00 0.00 0.00 174.94 174.30 1tei s LEU 142 N 1.46 4.38 0.13 2.97 1.43 -1.26 -1.55 118.68 126.22 1tei s LEU 142 Ca 0.02 0.95 0.07 0.00 -1.03 0.00 0.00 54.13 54.14 1tei s LEU 142 Cb -0.21 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 1tei s LEU 142 CO 0.04 0.13 -0.17 -1.10 0.23 0.00 0.00 176.35 175.48 1tei s GLN 143 N -0.12 1.11 5.65 1.70 -0.21 0.03 -5.00 119.66 122.81 1tei s GLN 143 Ca 0.26 -1.25 0.00 0.00 0.02 0.00 0.00 55.36 54.40 1tei s GLN 143 Cb -0.16 -1.14 0.00 0.00 1.00 0.00 0.00 33.01 32.70 1tei s GLN 143 CO 0.13 0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.95 1tei n GLY 144 N 0.65 1.84 0.70 3.09 0.00 -1.26 -1.66 105.19 108.55 1tei n GLY 144 Ca -0.16 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.40 1tei n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tei n ASP 145 N 3.47 2.10 -4.74 1.61 8.00 0.18 -4.93 116.55 122.23 1tei n ASP 145 Ca 0.00 -1.82 -0.42 0.00 0.71 0.00 0.00 54.79 53.27 1tei n ASP 145 Cb 0.00 -0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 40.91 1tei n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1tei s ALA 146 N -1.68 3.71 0.04 2.24 0.00 -0.97 -4.17 121.76 120.93 1tei s ALA 146 Ca 0.33 1.41 -0.03 0.00 0.00 0.00 0.00 51.96 53.66 1tei s ALA 146 Cb 0.18 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1tei s ALA 146 CO 0.26 -0.82 0.04 0.95 0.00 0.00 0.00 175.76 176.19 1tei s THR 147 N 0.35 0.15 0.42 0.00 -4.23 -0.52 -4.71 115.64 107.10 1tei s THR 147 Ca 0.64 -1.27 0.04 0.00 -1.18 0.00 0.00 61.69 59.92 1tei s THR 147 Cb -0.44 -0.97 -0.05 0.00 1.34 0.00 0.00 72.50 72.38 1tei s THR 147 CO 0.41 -0.70 0.03 0.42 -0.54 0.00 0.00 174.62 174.24 1tei s THR 148 N -2.81 1.47 0.00 3.99 -4.23 -1.26 -0.58 115.64 112.22 1tei s THR 148 Ca -0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1tei s THR 148 Cb 0.00 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1tei s THR 148 CO -0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1tei n GLY 149 N -0.98 2.99 3.57 3.99 0.00 -0.97 -4.60 105.19 109.18 1tei n GLY 149 Ca -0.08 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 1tei n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tei s THR 150 N -2.93 3.01 -1.08 2.61 2.01 -1.25 -2.23 115.64 115.79 1tei s THR 150 Ca 0.00 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1tei s THR 150 Cb 0.00 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.17 1tei s THR 150 CO 0.00 -0.02 0.00 0.47 -0.69 0.00 0.00 174.62 174.38 1tei n ASP 151 N 19.12 -3.96 -0.22 3.53 8.00 -1.26 -2.32 116.55 139.44 1tei n ASP 151 Ca 0.45 0.04 -0.03 0.00 0.71 0.00 0.00 54.79 55.96 1tei n ASP 151 Cb 0.44 -3.07 -0.01 0.00 -0.02 0.00 0.00 41.12 38.46 1tei n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tei n GLY 152 N -1.09 0.61 3.81 0.44 0.00 -0.94 -4.98 105.19 103.03 1tei n GLY 152 Ca -0.14 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 1tei n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1tei s ASN 153 N -2.60 4.68 -0.28 1.61 0.01 -0.98 -0.81 114.94 116.57 1tei s ASN 153 Ca 0.00 -0.98 -0.03 0.00 -0.71 0.00 0.00 52.86 51.15 1tei s ASN 153 Cb 0.00 -0.41 0.04 0.00 0.41 0.00 0.00 41.25 41.29 1tei s ASN 153 CO 0.00 -0.65 -0.01 -0.22 -1.51 0.00 0.00 177.10 174.71 1tei s LEU 154 N -4.03 3.67 -0.52 0.60 2.96 -0.67 -2.30 118.68 118.39 1tei s LEU 154 Ca 0.43 -1.06 -0.18 0.00 -0.22 0.00 0.00 54.13 53.10 1tei s LEU 154 Cb 0.01 -1.72 0.08 0.00 0.50 0.00 0.00 46.19 45.05 1tei s LEU 154 CO 0.24 -0.21 0.56 -1.61 -1.32 0.00 0.00 176.35 174.01 1tei s GLU 155 N 1.31 3.05 0.18 1.98 0.41 0.25 -0.59 118.70 125.29 1tei s GLU 155 Ca -0.02 -1.21 -0.13 0.00 -0.41 0.00 0.00 54.97 53.19 1tei s GLU 155 Cb -0.18 -4.17 0.08 0.00 -1.78 0.00 0.00 34.13 28.08 1tei s GLU 155 CO -0.02 -1.24 1.79 -0.07 -0.49 0.00 0.00 175.26 175.24 1tei h LEU 156 N 9.37 0.73 -9.24 1.80 3.38 -1.64 -1.38 115.31 118.33 1tei h LEU 156 Ca -0.28 -0.09 -0.64 0.00 0.09 0.00 0.00 57.88 56.95 1tei h LEU 156 Cb 1.10 -0.18 -0.16 0.00 0.09 0.00 0.00 40.66 41.51 1tei h LEU 156 CO 0.97 0.60 -0.75 0.42 0.09 0.00 0.00 178.44 179.78 1tei s THR 157 N -5.88 3.07 0.05 0.22 -4.23 -1.26 -2.29 115.64 105.32 1tei s THR 157 Ca -0.13 -1.60 -0.38 0.00 -1.18 0.00 0.00 61.69 58.40 1tei s THR 157 Cb 0.13 -2.48 -0.18 0.00 1.34 0.00 0.00 72.50 71.31 1tei s THR 157 CO 0.77 -0.03 1.28 -1.14 -0.54 0.00 0.00 174.62 174.95 1tei n ARG 158 N 0.32 0.82 -4.15 3.99 0.63 -1.26 -4.75 116.66 112.25 1tei n ARG 158 Ca -0.12 0.30 -0.15 0.00 -0.92 0.00 0.00 57.85 56.95 1tei n ARG 158 Cb 0.54 -1.90 -0.13 0.00 0.45 0.00 0.00 32.46 31.42 1tei n ARG 158 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1tei s VAL 159 N 0.45 0.56 0.92 5.15 1.01 -1.26 -2.24 120.40 124.99 1tei s VAL 159 Ca 0.87 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 62.04 1tei s VAL 159 Cb -1.05 -0.54 0.18 0.00 0.00 0.00 0.00 36.38 34.97 1tei s VAL 159 CO 0.50 -0.09 1.27 -0.94 0.00 0.00 0.00 175.10 175.84 1tei s SER 160 N -0.83 3.38 0.38 3.32 1.04 0.37 -4.91 113.70 116.44 1tei s SER 160 Ca -0.03 0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.65 1tei s SER 160 Cb -0.06 -0.32 0.75 0.00 0.10 0.00 0.00 66.02 66.48 1tei s SER 160 CO 0.00 -2.55 2.03 0.77 0.98 0.00 0.00 173.24 174.47 1tei h SER 161 N -1.44 0.60 -0.32 7.02 4.64 -2.02 0.50 113.55 122.53 1tei h SER 161 Ca -0.43 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1tei h SER 161 Cb 1.24 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1tei h SER 161 CO 0.40 0.44 0.00 -0.46 -0.87 0.00 0.00 176.83 176.34 1tei n ASN 162 N -4.46 1.97 0.00 4.97 0.23 -1.26 -4.93 115.26 111.78 1tei n ASN 162 Ca 0.05 -1.92 0.00 0.00 -0.53 0.00 0.00 54.58 52.18 1tei n ASN 162 Cb 0.05 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 1tei n ASN 162 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1tei n GLY 163 N 1.12 0.53 3.79 4.83 0.00 0.17 -5.05 105.19 110.59 1tei n GLY 163 Ca 0.14 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1tei n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tei s SER 164 N -2.07 7.25 0.40 1.61 1.04 -1.26 -4.69 113.70 115.97 1tei s SER 164 Ca 0.00 1.55 -0.23 0.00 0.48 0.00 0.00 55.95 57.75 1tei s SER 164 Cb 0.00 -2.47 -0.10 0.00 0.10 0.00 0.00 66.02 63.55 1tei s SER 164 CO 0.00 0.13 0.98 -2.16 0.98 0.00 0.00 173.24 173.18 1tei s PRO 165 N -1.51 4.25 0.13 4.02 0.04 -1.26 -0.48 135.00 140.19 1tei s PRO 165 Ca 0.39 1.31 0.03 0.00 0.04 0.00 0.00 61.00 62.77 1tei s PRO 165 Cb -0.20 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 1tei s PRO 165 CO 0.24 -0.03 0.17 -0.65 0.04 0.00 0.00 177.00 176.77 1tei s GLN 166 N -2.71 3.09 0.54 4.56 -1.52 -0.95 -4.84 119.66 117.83 1tei s GLN 166 Ca 0.58 -0.71 -0.01 0.00 -1.95 0.00 0.00 55.36 53.27 1tei s GLN 166 Cb -0.16 -2.79 0.02 0.00 -0.22 0.00 0.00 33.01 29.86 1tei s GLN 166 CO 0.20 0.53 0.78 0.20 -0.25 0.00 0.00 175.29 176.75 1tei s GLY 167 N -2.91 1.70 -1.18 3.09 0.00 -1.26 -4.51 107.32 102.24 1tei s GLY 167 Ca 0.32 -1.12 -0.14 0.00 0.00 0.00 0.00 44.72 43.78 1tei s GLY 167 CO 0.25 -0.86 0.76 1.44 0.00 0.00 0.00 173.10 174.69 1tei n SER 168 N -2.34 -4.35 -4.11 1.64 7.64 0.10 -4.85 113.62 107.36 1tei n SER 168 Ca 0.05 -0.95 -0.19 0.00 1.01 0.00 0.00 58.87 58.79 1tei n SER 168 Cb 0.59 -3.66 -0.13 0.00 -1.01 0.00 0.00 64.21 59.99 1tei n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1tei s SER 169 N -3.68 1.45 0.00 6.43 0.15 -1.18 -4.95 113.70 111.91 1tei s SER 169 Ca 0.36 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1tei s SER 169 Cb -0.11 -0.09 -0.00 0.00 -1.71 0.00 0.00 66.02 64.10 1tei s SER 169 CO 0.84 0.02 -0.01 0.68 1.20 0.00 0.00 173.24 175.97 1tei s VAL 170 N -0.79 0.06 -0.09 4.45 -7.23 -1.26 -0.76 120.40 114.78 1tei s VAL 170 Ca 0.01 -0.23 -0.30 0.00 -1.81 0.00 0.00 61.98 59.65 1tei s VAL 170 Cb -0.07 -0.09 0.07 0.00 0.56 0.00 0.00 36.38 36.84 1tei s VAL 170 CO 0.01 -0.11 0.69 -0.83 -0.31 0.00 0.00 175.10 174.55 1tei s GLY 171 N -0.35 -0.57 0.06 2.32 0.00 -0.86 0.49 107.32 108.40 1tei s GLY 171 Ca -0.04 1.45 -0.07 0.00 0.00 0.00 0.00 44.72 46.06 1tei s GLY 171 CO -0.00 1.10 0.13 0.50 0.00 0.00 0.00 173.10 174.83 1tei s ARG 172 N -0.91 0.73 -0.06 2.90 0.52 -0.66 -1.79 118.95 119.67 1tei s ARG 172 Ca -0.09 -0.91 -0.02 0.00 -0.52 0.00 0.00 55.73 54.19 1tei s ARG 172 Cb -0.01 0.29 0.04 0.00 0.52 0.00 0.00 34.95 35.79 1tei s ARG 172 CO 0.08 -0.20 0.11 0.00 0.02 0.00 0.00 175.30 175.31 1tei s ALA 173 N -3.41 -0.04 0.09 2.13 0.00 -0.55 -0.79 121.76 119.19 1tei s ALA 173 Ca 0.02 0.45 0.10 0.00 0.00 0.00 0.00 51.96 52.52 1tei s ALA 173 Cb 0.03 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1tei s ALA 173 CO -0.08 -0.40 -0.25 -0.51 0.00 0.00 0.00 175.76 174.51 1tei s LEU 174 N 1.88 2.25 0.17 0.00 1.02 -0.60 -0.58 118.68 122.83 1tei s LEU 174 Ca -0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 54.13 53.18 1tei s LEU 174 Cb -0.12 -1.14 -0.08 0.00 0.02 0.00 0.00 46.19 44.87 1tei s LEU 174 CO -0.05 0.18 1.20 0.12 0.02 0.00 0.00 176.35 177.82 1tei s PHE 175 N -0.97 3.42 0.15 0.29 5.36 -0.75 -0.54 117.98 124.94 1tei s PHE 175 Ca 0.11 1.40 -0.26 0.00 -0.96 0.00 0.00 56.93 57.23 1tei s PHE 175 Cb -0.10 -3.44 0.01 0.00 -0.34 0.00 0.00 43.02 39.16 1tei s PHE 175 CO 0.04 -1.24 1.59 -0.92 -1.46 0.00 0.00 175.22 173.23 1tei h TYR 176 N 5.42 -1.06 -3.80 10.12 5.03 -1.56 -3.43 116.97 127.69 1tei h TYR 176 Ca -0.44 0.06 -0.51 0.00 2.58 0.00 0.00 58.73 60.42 1tei h TYR 176 Cb 1.21 0.51 0.03 0.00 1.55 0.00 0.00 36.73 40.03 1tei h TYR 176 CO 0.63 -0.42 0.51 0.00 -1.32 0.00 0.00 178.16 177.56 1tei s ALA 177 N -5.93 3.43 0.54 1.82 0.00 -1.26 -5.02 121.76 115.33 1tei s ALA 177 Ca -0.15 0.97 -0.20 0.00 0.00 0.00 0.00 51.96 52.58 1tei s ALA 177 Cb 0.12 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 1tei s ALA 177 CO 0.66 -0.26 1.15 -2.14 0.00 0.00 0.00 175.76 175.17 1tei s PRO 178 N -1.45 3.36 -0.10 0.00 0.02 -1.26 -4.80 135.00 130.77 1tei s PRO 178 Ca 0.46 1.66 0.01 0.00 0.02 0.00 0.00 61.00 63.15 1tei s PRO 178 Cb -0.33 -2.05 -0.02 0.00 0.02 0.00 0.00 34.50 32.12 1tei s PRO 178 CO 0.43 -0.86 -0.13 0.08 -0.33 0.00 0.00 177.00 176.19 1tei s VAL 179 N -1.72 3.11 -0.98 3.83 1.01 0.14 -4.94 120.40 120.86 1tei s VAL 179 Ca 0.72 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 1tei s VAL 179 Cb -0.25 -2.27 0.13 0.00 0.00 0.00 0.00 36.38 33.98 1tei s VAL 179 CO 0.29 0.55 1.20 -2.28 0.00 0.00 0.00 175.10 174.86 1tei s HIS 180 N -0.09 3.12 0.42 5.22 2.46 -1.26 -0.95 115.29 124.22 1tei s HIS 180 Ca -0.02 -1.46 0.14 0.00 0.47 0.00 0.00 55.06 54.19 1tei s HIS 180 Cb -0.14 -4.33 0.91 0.00 -0.13 0.00 0.00 32.58 28.90 1tei s HIS 180 CO 0.04 -1.51 1.94 0.97 -2.47 0.00 0.00 174.74 173.70 1tei h ILE 181 N 5.74 1.17 -3.02 0.89 6.09 -1.64 -3.47 117.51 123.27 1tei h ILE 181 Ca 0.19 -0.83 0.01 0.00 -1.37 0.00 0.00 64.86 62.85 1tei h ILE 181 Cb 1.00 1.45 -0.10 0.00 0.47 0.00 0.00 36.82 39.64 1tei h ILE 181 CO 1.16 0.24 0.20 -1.66 -3.07 0.00 0.00 178.15 175.02 1tei s TRP 182 N -4.49 -0.41 -0.20 2.19 1.48 -1.24 -4.78 118.94 111.49 1tei s TRP 182 Ca -0.04 0.12 -0.18 0.00 -1.06 0.00 0.00 56.10 54.95 1tei s TRP 182 Cb 0.15 0.59 0.05 0.00 -1.16 0.00 0.00 33.47 33.11 1tei s TRP 182 CO 0.71 -0.96 0.53 -2.00 -4.06 0.00 0.00 176.95 171.16 1tei s GLU 183 N -3.81 0.61 0.46 3.25 2.12 -1.26 -4.76 118.70 115.31 1tei s GLU 183 Ca 0.04 0.74 0.17 0.00 0.36 0.00 0.00 54.97 56.29 1tei s GLU 183 Cb -0.02 0.29 1.14 0.00 0.26 0.00 0.00 34.13 35.79 1tei s GLU 183 CO -0.07 -0.08 1.98 0.66 -0.54 0.00 0.00 175.26 177.22 1tei h SER 184 N 5.38 0.26 -0.42 -1.70 4.64 -2.01 -1.64 113.55 118.05 1tei h SER 184 Ca -0.28 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1tei h SER 184 Cb 1.17 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1tei h SER 184 CO 0.18 0.15 0.00 -1.20 -0.87 0.00 0.00 176.83 175.09 1tei n SER 185 N -4.45 3.18 -4.66 4.97 7.64 -1.26 -4.90 113.62 114.14 1tei n SER 185 Ca 0.10 -2.26 -0.40 0.00 1.01 0.00 0.00 58.87 57.31 1tei n SER 185 Cb 0.44 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 63.13 1tei n SER 185 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tei s ALA 186 N -1.70 3.55 0.08 -0.43 0.00 -0.62 -3.35 121.76 119.29 1tei s ALA 186 Ca 0.33 -0.27 -0.18 0.00 0.00 0.00 0.00 51.96 51.84 1tei s ALA 186 Cb 0.21 -2.99 -0.10 0.00 0.00 0.00 0.00 23.12 20.24 1tei s ALA 186 CO 0.16 -0.58 1.45 0.28 0.00 0.00 0.00 175.76 177.07 1tei h VAL 187 N 5.20 1.30 -3.57 0.00 2.07 0.91 -3.44 116.25 118.71 1tei h VAL 187 Ca -0.31 -1.15 -0.23 0.00 0.82 0.00 0.00 66.70 65.84 1tei h VAL 187 Cb 1.14 1.54 -0.28 0.00 -1.52 0.00 0.00 31.29 32.17 1tei h VAL 187 CO 0.78 0.36 -0.66 -0.69 0.02 0.00 0.00 177.57 177.37 1tei s VAL 188 N -4.65 -0.01 -0.02 2.57 1.01 -1.12 -4.89 120.40 113.29 1tei s VAL 188 Ca -0.13 0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1tei s VAL 188 Cb 0.07 -0.09 0.01 0.00 0.00 0.00 0.00 36.38 36.37 1tei s VAL 188 CO 0.77 0.01 -0.03 0.00 0.00 0.00 0.00 175.10 175.85 1tei s ALA 189 N 0.21 0.42 0.17 5.51 0.00 -1.26 -0.22 121.76 126.60 1tei s ALA 189 Ca -0.02 -0.02 -0.18 0.00 0.00 0.00 0.00 51.96 51.74 1tei s ALA 189 Cb -0.02 -0.26 0.04 0.00 0.00 0.00 0.00 23.12 22.88 1tei s ALA 189 CO -0.01 0.01 0.51 -1.54 0.00 0.00 0.00 175.76 174.73 1tei s SER 190 N 0.57 -0.33 0.15 0.00 1.04 -0.16 -0.28 113.70 114.69 1tei s SER 190 Ca -0.06 -0.33 -0.12 0.00 0.48 0.00 0.00 55.95 55.92 1tei s SER 190 Cb -0.10 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.59 1tei s SER 190 CO -0.01 -0.99 0.34 0.72 0.98 0.00 0.00 173.24 174.29 1tei s PHE 191 N -3.83 0.13 -0.17 5.02 -0.12 -0.74 -0.68 117.98 117.59 1tei s PHE 191 Ca 0.06 -0.49 -0.12 0.00 -0.05 0.00 0.00 56.93 56.32 1tei s PHE 191 Cb -0.00 0.10 0.05 0.00 -0.63 0.00 0.00 43.02 42.54 1tei s PHE 191 CO -0.07 -0.73 0.43 -2.00 -0.05 0.00 0.00 175.22 172.80 1tei s GLU 192 N -3.90 0.46 0.08 1.99 2.12 0.36 -2.23 118.70 117.59 1tei s GLU 192 Ca 0.10 0.72 0.05 0.00 0.36 0.00 0.00 54.97 56.20 1tei s GLU 192 Cb 0.02 0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.49 1tei s GLU 192 CO -0.05 -0.11 -0.13 0.00 -0.54 0.00 0.00 175.26 174.43 1tei s ALA 193 N 0.86 1.15 -0.07 6.30 0.00 0.16 -0.88 121.76 129.28 1tei s ALA 193 Ca -0.05 -1.06 -0.15 0.00 0.00 0.00 0.00 51.96 50.71 1tei s ALA 193 Cb -0.06 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.04 1tei s ALA 193 CO -0.07 0.10 0.35 0.99 0.00 0.00 0.00 175.76 177.13 1tei s THR 194 N -1.64 0.03 -0.15 0.00 2.01 -0.52 -0.71 115.64 114.66 1tei s THR 194 Ca 0.00 -0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.47 1tei s THR 194 Cb -0.08 -0.59 0.10 0.00 0.01 0.00 0.00 72.50 71.94 1tei s THR 194 CO 0.02 -0.13 0.84 0.72 -0.69 0.00 0.00 174.62 175.38 1tei s PHE 195 N -0.62 -0.55 -0.06 4.92 -0.12 -0.63 -0.73 117.98 120.19 1tei s PHE 195 Ca -0.07 1.07 0.02 0.00 -0.05 0.00 0.00 56.93 57.90 1tei s PHE 195 Cb -0.04 0.40 -0.03 0.00 -0.63 0.00 0.00 43.02 42.72 1tei s PHE 195 CO 0.03 -0.43 -0.09 0.95 -0.05 0.00 0.00 175.22 175.62 1tei s THR 196 N -0.74 3.48 0.22 -4.49 -4.23 -0.83 -0.72 115.64 108.31 1tei s THR 196 Ca -0.04 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.90 1tei s THR 196 Cb -0.02 -2.41 -0.05 0.00 1.34 0.00 0.00 72.50 71.37 1tei s THR 196 CO 0.04 0.58 0.04 0.72 -0.54 0.00 0.00 174.62 175.46 1tei s PHE 197 N -0.79 1.39 -0.23 3.99 -0.71 -0.42 -0.92 117.98 120.28 1tei s PHE 197 Ca 0.12 -1.07 -0.04 0.00 -1.04 0.00 0.00 56.93 54.90 1tei s PHE 197 Cb -0.11 -0.81 0.08 0.00 -1.21 0.00 0.00 43.02 40.98 1tei s PHE 197 CO 0.01 -0.24 0.11 -1.17 -1.34 0.00 0.00 175.22 172.59 1tei s LEU 198 N -3.25 0.56 -0.35 -1.99 2.96 -0.15 -0.55 118.68 115.91 1tei s LEU 198 Ca 0.30 -0.98 -0.13 0.00 -0.22 0.00 0.00 54.13 53.10 1tei s LEU 198 Cb 0.07 -0.34 -0.00 0.00 0.50 0.00 0.00 46.19 46.41 1tei s LEU 198 CO 0.09 -0.39 0.24 -0.63 -1.32 0.00 0.00 176.35 174.33 1tei s ILE 199 N 2.08 5.10 -0.08 6.68 1.01 -1.26 -2.84 121.20 131.88 1tei s ILE 199 Ca 0.05 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.33 1tei s ILE 199 Cb -0.16 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1tei s ILE 199 CO -0.23 -0.08 -0.20 -0.75 0.00 0.00 0.00 174.94 173.68 1tei s LYS 200 N 1.68 2.59 -0.03 2.79 2.20 -1.23 -0.75 119.74 126.99 1tei s LYS 200 Ca 0.05 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 1tei s LYS 200 Cb -0.18 -2.01 0.03 0.00 -1.51 0.00 0.00 37.83 34.16 1tei s LYS 200 CO 0.09 0.15 0.00 0.45 -0.36 0.00 0.00 175.35 175.69 1tei s SER 201 N 0.38 0.51 0.24 1.43 0.15 -1.26 -0.60 113.70 114.55 1tei s SER 201 Ca -0.16 -0.03 0.17 0.00 0.70 0.00 0.00 55.95 56.64 1tei s SER 201 Cb -0.17 -0.23 0.04 0.00 -1.71 0.00 0.00 66.02 63.95 1tei s SER 201 CO 0.07 -0.11 1.26 1.55 1.20 0.00 0.00 173.24 177.21 1tei h PRO 202 N 7.34 0.00 -6.85 5.44 0.13 -1.99 -3.47 132.00 132.60 1tei h PRO 202 Ca -0.40 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.27 1tei h PRO 202 Cb 1.13 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.30 1tei h PRO 202 CO 0.45 0.32 -0.01 0.16 -0.23 0.00 0.00 178.00 178.70 1tei s ASP 203 N -6.13 5.57 0.03 1.44 -4.77 -1.26 -5.04 116.67 106.51 1tei s ASP 203 Ca 0.02 0.29 -0.05 0.00 -3.30 0.00 0.00 52.55 49.51 1tei s ASP 203 Cb 0.08 -1.35 -0.01 0.00 -1.09 0.00 0.00 42.92 40.54 1tei s ASP 203 CO 0.76 -0.95 0.87 -1.20 0.70 0.00 0.00 175.17 175.35 1tei n SER 204 N -2.30 -0.19 -4.10 2.11 7.64 -1.26 -4.30 113.62 111.23 1tei n SER 204 Ca 0.04 0.91 -0.32 0.00 1.01 0.00 0.00 58.87 60.51 1tei n SER 204 Cb 0.58 -0.34 -0.16 0.00 -1.01 0.00 0.00 64.21 63.28 1tei n SER 204 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1tei s HIS 205 N -3.54 2.73 0.81 1.43 3.76 -1.26 -5.12 115.29 114.11 1tei s HIS 205 Ca -0.02 -1.66 -0.12 0.00 -0.15 0.00 0.00 55.06 53.11 1tei s HIS 205 Cb 0.02 -1.86 0.08 0.00 1.11 0.00 0.00 32.58 31.93 1tei s HIS 205 CO 0.11 -0.80 1.14 -1.25 -0.85 0.00 0.00 174.74 173.09 1tei s PRO 206 N 1.30 1.81 -0.09 8.40 0.04 -1.26 -4.62 135.00 140.58 1tei s PRO 206 Ca 0.03 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 1tei s PRO 206 Cb -0.14 -1.82 0.11 0.00 0.04 0.00 0.00 34.50 32.68 1tei s PRO 206 CO -0.12 -2.02 0.89 0.00 0.04 0.00 0.00 177.00 175.79 1tei s ALA 207 N -2.58 -1.86 -0.08 8.56 0.00 -1.20 -3.99 121.76 120.61 1tei s ALA 207 Ca 0.66 1.37 0.08 0.00 0.00 0.00 0.00 51.96 54.07 1tei s ALA 207 Cb -0.22 -0.26 -0.11 0.00 0.00 0.00 0.00 23.12 22.54 1tei s ALA 207 CO 0.53 -0.42 0.03 -0.25 0.00 0.00 0.00 175.76 175.65 1tei n ASP 208 N 0.51 2.88 0.00 0.00 9.92 0.39 -2.93 116.55 127.32 1tei n ASP 208 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1tei n ASP 208 Cb 0.59 0.71 0.00 0.00 -0.64 0.00 0.00 41.12 41.78 1tei n ASP 208 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1tei n GLY 209 N 2.47 0.33 3.18 0.44 0.00 -1.21 -1.31 105.19 109.09 1tei n GLY 209 Ca -0.14 -1.45 -0.17 0.00 0.00 0.00 0.00 46.02 44.25 1tei n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tei s ILE 210 N -1.78 1.11 -0.13 -0.61 1.01 -0.86 -2.76 121.20 117.18 1tei s ILE 210 Ca 0.00 -1.44 -0.11 0.00 0.00 0.00 0.00 60.65 59.11 1tei s ILE 210 Cb 0.00 -1.20 0.04 0.00 0.01 0.00 0.00 42.46 41.31 1tei s ILE 210 CO 0.00 -0.32 0.33 0.00 0.00 0.00 0.00 174.94 174.95 1tei s ALA 211 N -1.64 -0.83 -0.05 9.38 0.00 0.23 -0.13 121.76 128.71 1tei s ALA 211 Ca 0.01 1.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.85 1tei s ALA 211 Cb -0.08 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 1tei s ALA 211 CO 0.02 -0.18 0.40 0.12 0.00 0.00 0.00 175.76 176.12 1tei s PHE 212 N 0.48 3.64 0.09 0.00 5.36 -0.23 0.15 117.98 127.47 1tei s PHE 212 Ca -0.02 0.90 -0.04 0.00 -0.96 0.00 0.00 56.93 56.80 1tei s PHE 212 Cb -0.04 -2.35 -0.02 0.00 -0.34 0.00 0.00 43.02 40.27 1tei s PHE 212 CO -0.02 0.48 0.09 -0.59 -1.46 0.00 0.00 175.22 173.71 1tei s PHE 213 N -0.46 0.43 -0.05 10.12 -0.71 0.41 -0.79 117.98 126.94 1tei s PHE 213 Ca 0.23 -0.90 0.04 0.00 -1.04 0.00 0.00 56.93 55.26 1tei s PHE 213 Cb -0.16 -0.26 -0.00 0.00 -1.21 0.00 0.00 43.02 41.40 1tei s PHE 213 CO 0.11 -0.49 -0.17 0.42 -1.34 0.00 0.00 175.22 173.75 1tei s ILE 214 N -3.92 1.43 0.36 -4.49 1.01 -0.06 -0.47 121.20 115.07 1tei s ILE 214 Ca 0.10 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 1tei s ILE 214 Cb 0.06 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 41.31 1tei s ILE 214 CO -0.08 0.41 0.57 -0.94 0.00 0.00 0.00 174.94 174.91 1tei s SER 215 N 0.13 0.74 0.52 3.58 1.04 -0.26 -2.26 113.70 117.19 1tei s SER 215 Ca -0.06 -1.43 -0.22 0.00 0.48 0.00 0.00 55.95 54.73 1tei s SER 215 Cb -0.12 0.72 -0.06 0.00 0.10 0.00 0.00 66.02 66.67 1tei s SER 215 CO 0.03 -1.42 1.25 0.54 0.98 0.00 0.00 173.24 174.61 1tei s ASN 216 N -3.21 5.63 0.17 7.02 4.22 -1.23 -0.82 114.94 126.72 1tei s ASN 216 Ca 0.27 2.49 -0.29 0.00 -2.14 0.00 0.00 52.86 53.19 1tei s ASN 216 Cb -0.02 -2.61 -0.02 0.00 1.28 0.00 0.00 41.25 39.88 1tei s ASN 216 CO 0.19 -1.30 1.54 0.40 -2.04 0.00 0.00 177.10 175.89 1tei h ILE 217 N 1.51 0.01 0.00 0.54 2.04 -1.85 -2.08 117.51 117.67 1tei h ILE 217 Ca -0.50 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1tei h ILE 217 Cb 1.28 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1tei h ILE 217 CO 0.58 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 177.83 1tei n ASP 218 N -5.31 0.68 -4.68 1.72 5.75 -1.26 -4.80 116.55 108.64 1tei n ASP 218 Ca 0.03 -1.79 -0.36 0.00 -0.01 0.00 0.00 54.79 52.66 1tei n ASP 218 Cb 0.30 -0.34 0.09 0.00 -1.03 0.00 0.00 41.12 40.14 1tei n ASP 218 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1tei n SER 219 N -0.08 1.34 -3.78 -1.12 2.88 -0.78 -5.04 113.62 107.03 1tei n SER 219 Ca 0.00 0.73 -0.10 0.00 -1.33 0.00 0.00 58.87 58.17 1tei n SER 219 Cb 0.17 -1.50 -0.05 0.00 -0.75 0.00 0.00 64.21 62.08 1tei n SER 219 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1tei s SER 220 N -1.62 -0.13 0.07 -3.46 1.04 -1.26 -5.08 113.70 103.25 1tei s SER 220 Ca 0.78 -0.55 -0.30 0.00 0.48 0.00 0.00 55.95 56.35 1tei s SER 220 Cb -0.35 0.48 -0.09 0.00 0.10 0.00 0.00 66.02 66.16 1tei s SER 220 CO 0.46 -0.91 1.91 -0.63 0.98 0.00 0.00 173.24 175.05 1tei s ILE 221 N -3.88 2.84 0.39 -1.02 1.01 -1.26 -4.95 121.20 114.33 1tei s ILE 221 Ca 0.09 0.04 -0.26 0.00 0.00 0.00 0.00 60.65 60.52 1tei s ILE 221 Cb 0.02 -3.03 -0.09 0.00 0.01 0.00 0.00 42.46 39.37 1tei s ILE 221 CO -0.06 -0.00 1.27 -2.84 0.00 0.00 0.00 174.94 173.31 1tei s PRO 222 N 3.81 4.06 0.34 2.79 0.02 -1.26 -4.94 135.00 139.82 1tei s PRO 222 Ca 0.85 2.08 -0.28 0.00 0.02 0.00 0.00 61.00 63.67 1tei s PRO 222 Cb -0.44 -2.80 -0.12 0.00 0.02 0.00 0.00 34.50 31.16 1tei s PRO 222 CO 0.39 -0.39 1.37 0.43 -0.33 0.00 0.00 177.00 178.48 1tei n SER 223 N 0.25 3.09 -2.20 2.53 7.64 -1.26 -2.35 113.62 121.32 1tei n SER 223 Ca 0.03 1.20 -0.20 0.00 1.01 0.00 0.00 58.87 60.91 1tei n SER 223 Cb 0.44 -1.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.09 1tei n SER 223 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tei n GLY 224 N 0.93 0.10 1.70 0.23 0.00 -1.26 -4.88 105.19 102.02 1tei n GLY 224 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1tei n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tei n SER 225 N -1.83 3.62 -2.35 1.61 3.41 -0.99 -4.89 113.62 112.19 1tei n SER 225 Ca -0.23 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 55.44 1tei n SER 225 Cb 0.68 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1tei n SER 225 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1tei n THR 226 N -0.34 0.00 -3.35 6.66 -2.24 -1.26 -0.41 114.28 113.34 1tei n THR 226 Ca 0.34 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 1tei n THR 226 Cb 1.17 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1tei n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tei n GLY 227 N 3.88 0.95 0.00 3.38 0.00 0.00 -2.76 105.19 110.64 1tei n GLY 227 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1tei n GLY 227 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1tei n ARG 228 N 0.00 0.00 0.00 1.61 1.85 -1.26 -1.55 116.66 117.31 1tei n ARG 228 Ca 0.00 0.13 0.12 0.00 -1.00 0.00 0.00 57.85 57.10 1tei n ARG 228 Cb 0.00 -1.65 0.32 0.00 -1.05 0.00 0.00 32.46 30.08 1tei n ARG 228 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1tei n LEU 229 N -1.01 0.64 -1.80 2.89 4.77 -1.11 -4.96 117.00 116.42 1tei n LEU 229 Ca 0.00 -0.06 -0.16 0.00 -0.03 0.00 0.00 56.01 55.76 1tei n LEU 229 Cb 0.15 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1tei n LEU 229 CO 0.00 0.14 -0.17 0.18 -1.33 0.00 0.00 177.39 176.21 1tei n LEU 230 N -1.21 -1.27 -0.68 2.23 4.77 -0.60 -1.77 117.00 118.47 1tei n LEU 230 Ca 0.08 0.29 -0.09 0.00 -0.03 0.00 0.00 56.01 56.27 1tei n LEU 230 Cb 0.34 -2.37 -0.04 0.00 -2.33 0.00 0.00 43.42 39.02 1tei n LEU 230 CO 0.31 -0.60 -0.08 0.61 -1.33 0.00 0.00 177.39 176.30 1tei n GLY 231 N -0.50 0.94 0.28 -0.72 0.00 0.45 -4.14 105.19 101.50 1tei n GLY 231 Ca -0.17 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 1tei n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tei n LEU 232 N -1.01 2.13 -4.65 0.99 4.77 -0.73 -4.46 117.00 114.04 1tei n LEU 232 Ca -0.09 0.03 -0.31 0.00 -0.03 0.00 0.00 56.01 55.62 1tei n LEU 232 Cb 0.47 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 1tei n LEU 232 CO 0.13 0.54 -0.36 -0.36 -1.33 0.00 0.00 177.39 176.02 1tei s PHE 233 N -2.26 2.95 0.06 -1.77 0.08 -1.13 -4.81 117.98 111.08 1tei s PHE 233 Ca -0.19 -0.03 0.14 0.00 0.12 0.00 0.00 56.93 56.98 1tei s PHE 233 Cb 0.06 -1.57 0.24 0.00 -0.57 0.00 0.00 43.02 41.18 1tei s PHE 233 CO 0.28 0.44 1.52 -1.00 -0.10 0.00 0.00 175.22 176.37 1tei h PRO 234 N 3.92 0.00 -4.11 0.24 0.13 -1.92 -3.43 132.00 126.83 1tei h PRO 234 Ca -0.48 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.35 1tei h PRO 234 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 1tei h PRO 234 CO 0.57 0.58 -0.16 0.16 -0.23 0.00 0.00 178.00 178.92 1tei s ASP 235 N -6.55 1.04 -0.26 1.44 1.47 -1.26 -4.91 116.67 107.65 1tei s ASP 235 Ca 0.01 -1.54 0.13 0.00 1.18 0.00 0.00 52.55 52.33 1tei s ASP 235 Cb 0.10 0.70 0.81 0.00 -0.34 0.00 0.00 42.92 44.18 1tei s ASP 235 CO 0.74 -1.36 1.76 0.00 0.68 0.00 0.00 175.17 177.00 1tei n ALA 236 N -0.60 4.05 1.70 2.11 0.00 -1.26 -4.75 120.51 121.76 1tei n ALA 236 Ca 0.01 -2.00 0.14 0.00 0.00 0.00 0.00 53.44 51.59 1tei n ALA 236 Cb 0.61 -1.16 0.81 0.00 0.00 0.00 0.00 19.45 19.71 1tei n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59