#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 6.95 -0.30 0.00 1.01 -1.26 -5.06 116.67 118.01 1tei s ASP 2 Ca 0.00 1.47 -0.10 0.00 0.71 0.00 0.00 52.55 54.63 1tei s ASP 2 Cb 0.00 -2.44 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 1tei s ASP 2 CO 0.00 -0.16 0.16 -0.89 0.21 0.00 0.00 175.17 174.49 1tei s THR 3 N -1.87 4.77 -0.03 -1.27 2.01 -1.26 -5.05 115.64 112.94 1tei s THR 3 Ca 0.53 -0.27 0.06 0.00 0.31 0.00 0.00 61.69 62.32 1tei s THR 3 Cb -0.13 -3.38 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 1tei s THR 3 CO 0.18 0.12 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.38 1tei s ILE 4 N 1.65 1.79 -0.09 1.82 -1.09 -1.26 -3.56 121.20 120.46 1tei s ILE 4 Ca 0.05 -0.95 -0.01 0.00 -2.23 0.00 0.00 60.65 57.51 1tei s ILE 4 Cb -0.17 -1.50 0.03 0.00 -1.58 0.00 0.00 42.46 39.24 1tei s ILE 4 CO 0.07 0.51 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.56 1tei s VAL 5 N -0.37 0.73 0.14 2.92 1.01 -0.94 -0.41 120.40 123.48 1tei s VAL 5 Ca 0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 1tei s VAL 5 Cb -0.10 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1tei s VAL 5 CO 0.01 0.32 0.22 0.00 0.00 0.00 0.00 175.10 175.65 1tei s ALA 6 N 1.81 0.11 -0.21 5.51 0.00 -0.53 -0.77 121.76 127.68 1tei s ALA 6 Ca 0.05 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.08 1tei s ALA 6 Cb -0.12 0.77 0.04 0.00 0.00 0.00 0.00 23.12 23.81 1tei s ALA 6 CO -0.07 -0.59 -0.13 0.08 0.00 0.00 0.00 175.76 175.06 1tei s VAL 7 N -3.96 1.89 -0.11 0.00 1.01 -0.00 -0.61 120.40 118.62 1tei s VAL 7 Ca 0.16 -1.18 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 1tei s VAL 7 Cb 0.04 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1tei s VAL 7 CO -0.02 0.19 0.09 -1.83 0.00 0.00 0.00 175.10 173.53 1tei s GLU 8 N 1.29 3.28 -0.91 2.72 -1.05 0.15 -0.96 118.70 123.22 1tei s GLU 8 Ca -0.02 -0.22 -0.03 0.00 -0.15 0.00 0.00 54.97 54.54 1tei s GLU 8 Cb -0.17 -3.05 0.23 0.00 -0.44 0.00 0.00 34.13 30.70 1tei s GLU 8 CO -0.08 0.75 0.81 -0.51 0.95 0.00 0.00 175.26 177.18 1tei s LEU 9 N -0.98 5.70 -0.55 1.83 1.02 0.14 -0.70 118.68 125.13 1tei s LEU 9 Ca 0.14 -3.61 -0.28 0.00 0.02 0.00 0.00 54.13 50.40 1tei s LEU 9 Cb -0.12 -1.96 0.03 0.00 0.02 0.00 0.00 46.19 44.16 1tei s LEU 9 CO 0.03 -0.22 1.21 -0.62 0.02 0.00 0.00 176.35 176.77 1tei s ASP 10 N 0.23 6.46 0.19 2.29 -1.08 0.44 -1.88 116.67 123.31 1tei s ASP 10 Ca 0.27 0.23 0.17 0.00 -0.52 0.00 0.00 52.55 52.70 1tei s ASP 10 Cb -0.09 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.81 1tei s ASP 10 CO -0.11 -1.45 1.15 0.71 0.52 0.00 0.00 175.17 175.99 1tei h THR 11 N 6.21 0.58 -3.28 1.71 1.35 -1.72 -0.56 112.91 117.20 1tei h THR 11 Ca -0.25 -1.94 -0.66 0.00 -0.55 0.00 0.00 66.41 63.01 1tei h THR 11 Cb 1.06 2.14 -0.30 0.00 -1.73 0.00 0.00 68.15 69.33 1tei h THR 11 CO 1.17 0.33 -0.79 -0.47 -0.25 0.00 0.00 175.52 175.51 1tei s TYR 12 N -3.00 2.82 -0.14 4.73 5.04 -1.23 -4.49 117.35 121.09 1tei s TYR 12 Ca 0.01 -1.03 -0.27 0.00 -2.44 0.00 0.00 57.07 53.34 1tei s TYR 12 Cb 0.08 -1.93 -0.01 0.00 0.35 0.00 0.00 41.96 40.45 1tei s TYR 12 CO 0.77 -0.49 0.92 -1.25 -1.34 0.00 0.00 175.55 174.16 1tei s PRO 13 N 0.93 4.35 -0.79 4.97 0.04 -1.26 -4.98 135.00 138.27 1tei s PRO 13 Ca -0.03 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.23 1tei s PRO 13 Cb -0.15 -3.56 0.21 0.00 0.04 0.00 0.00 34.50 31.04 1tei s PRO 13 CO -0.01 -0.33 0.69 0.09 0.04 0.00 0.00 177.00 177.47 1tei n ASN 14 N 5.16 3.73 -0.11 6.66 4.13 -1.26 -4.94 115.26 128.63 1tei n ASN 14 Ca 0.07 -3.23 0.17 0.00 1.68 0.00 0.00 54.58 53.27 1tei n ASN 14 Cb 0.49 -0.88 0.56 0.00 -1.54 0.00 0.00 39.78 38.41 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 4.04 0.78 -0.02 3.41 1.35 -1.85 -1.07 112.91 119.55 1tei h THR 15 Ca 0.16 -0.10 0.01 0.00 -0.55 0.00 0.00 66.41 65.93 1tei h THR 15 Cb 0.75 0.47 -0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1tei h THR 15 CO 0.81 0.05 0.03 -2.24 -0.25 0.00 0.00 175.52 173.93 1tei h ASP 16 N 0.29 0.00 -0.23 5.36 2.03 -1.92 -1.55 116.42 120.39 1tei h ASP 16 Ca 0.33 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.62 1tei h ASP 16 Cb 0.89 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.39 1tei h ASP 16 CO -0.08 0.00 -0.00 2.30 -1.03 0.00 0.00 179.24 180.43 1tei n ILE 17 N -3.59 2.25 0.00 4.15 -5.35 -0.43 -4.97 119.36 111.43 1tei n ILE 17 Ca -0.02 -2.00 0.00 0.00 -0.27 0.00 0.00 62.75 60.46 1tei n ILE 17 Cb 0.12 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.76 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 -0.69 0.25 3.77 3.28 0.00 -0.58 -4.74 105.19 106.47 1tei n GLY 18 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.27 5.89 0.85 1.61 1.01 -1.06 -4.95 116.67 117.76 1tei s ASP 19 Ca 0.00 2.40 -0.12 0.00 0.71 0.00 0.00 52.55 55.54 1tei s ASP 19 Cb 0.00 -2.61 0.10 0.00 1.01 0.00 0.00 42.92 41.42 1tei s ASP 19 CO 0.00 -1.11 1.10 -2.84 0.21 0.00 0.00 175.17 172.53 1tei s PRO 20 N -2.82 1.63 0.00 8.23 0.02 -1.26 -4.06 135.00 136.74 1tei s PRO 20 Ca 0.67 0.67 0.00 0.00 0.02 0.00 0.00 61.00 62.36 1tei s PRO 20 Cb -0.31 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.35 1tei s PRO 20 CO 0.37 -1.95 1.61 -1.13 -0.33 0.00 0.00 177.00 175.56 1tei n SER 21 N -3.66 4.39 -3.49 2.53 3.41 -1.26 -4.62 113.62 110.91 1tei n SER 21 Ca 0.07 -2.20 -0.10 0.00 -0.26 0.00 0.00 58.87 56.38 1tei n SER 21 Cb 0.56 -0.89 -0.02 0.00 -0.26 0.00 0.00 64.21 63.60 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 0.10 -0.42 0.43 7.33 -0.85 -1.26 -5.00 117.35 117.68 1tei s TYR 22 Ca 0.00 0.33 -0.24 0.00 -0.52 0.00 0.00 57.07 56.64 1tei s TYR 22 Cb 0.00 0.53 -0.10 0.00 0.38 0.00 0.00 41.96 42.77 1tei s TYR 22 CO 0.00 -0.61 1.12 -2.30 -1.52 0.00 0.00 175.55 172.24 1tei n PRO 23 N -0.13 1.56 -3.91 -3.49 -0.02 -1.26 -4.69 135.00 123.05 1tei n PRO 23 Ca -0.12 0.56 -0.08 0.00 -2.02 0.00 0.00 63.50 61.84 1tei n PRO 23 Cb 0.62 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 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 -1.26 0.11 0.05 6.00 -3.43 -0.22 -1.63 115.29 114.91 1tei s HIS 24 Ca 0.63 -0.55 0.09 0.00 -0.80 0.00 0.00 55.06 54.43 1tei s HIS 24 Cb -0.53 0.51 -0.03 0.00 -1.43 0.00 0.00 32.58 31.10 1tei s HIS 24 CO 0.56 -1.20 -0.24 0.96 -2.00 0.00 0.00 174.74 172.83 1tei s ILE 25 N -3.68 2.37 0.16 -5.38 -4.36 -0.91 -0.42 121.20 108.98 1tei s ILE 25 Ca 0.16 -1.35 -0.11 0.00 -0.26 0.00 0.00 60.65 59.09 1tei s ILE 25 Cb -0.04 -1.96 0.00 0.00 1.25 0.00 0.00 42.46 41.72 1tei s ILE 25 CO 0.09 0.34 0.33 -0.83 0.24 0.00 0.00 174.94 175.11 1tei s GLY 26 N -1.37 0.25 -0.32 6.27 0.00 0.12 -2.12 107.32 110.16 1tei s GLY 26 Ca 0.13 -0.65 -0.05 0.00 0.00 0.00 0.00 44.72 44.15 1tei s GLY 26 CO 0.03 -0.67 0.07 -0.42 0.00 0.00 0.00 173.10 172.12 1tei s ILE 27 N -3.92 3.62 -0.22 0.90 1.01 -0.68 -0.67 121.20 121.23 1tei s ILE 27 Ca 0.13 -1.11 -0.08 0.00 0.00 0.00 0.00 60.65 59.58 1tei s ILE 27 Cb 0.02 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 1tei s ILE 27 CO -0.03 -0.11 0.10 -1.81 0.00 0.00 0.00 174.94 173.09 1tei s ASP 28 N 1.39 5.67 -0.37 3.58 1.01 0.23 -1.09 116.67 127.07 1tei s ASP 28 Ca -0.02 0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.25 1tei s ASP 28 Cb -0.19 -2.00 0.10 0.00 1.01 0.00 0.00 42.92 41.84 1tei s ASP 28 CO 0.02 0.07 0.13 -0.63 0.21 0.00 0.00 175.17 174.97 1tei s ILE 29 N 0.99 2.83 -0.62 0.77 -1.09 -1.26 -1.45 121.20 121.36 1tei s ILE 29 Ca 0.05 -2.16 0.00 0.00 -2.23 0.00 0.00 60.65 56.32 1tei s ILE 29 Cb -0.14 -2.99 0.00 0.00 -1.58 0.00 0.00 42.46 37.76 1tei s ILE 29 CO 0.03 -0.63 0.00 0.29 -1.23 0.00 0.00 174.94 173.41 1tei n LYS 30 N 4.45 -1.74 -3.64 2.79 5.02 0.45 -4.92 118.16 120.57 1tei n LYS 30 Ca -0.00 0.69 -0.15 0.00 -2.02 0.00 0.00 58.31 56.83 1tei n LYS 30 Cb 0.42 -5.08 -0.08 0.00 -0.02 0.00 0.00 35.03 30.27 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 -2.24 -0.57 0.51 4.39 0.15 -1.26 -4.92 113.70 109.76 1tei s SER 31 Ca 0.00 0.91 0.33 0.00 0.70 0.00 0.00 55.95 57.89 1tei s SER 31 Cb 0.00 0.90 1.44 0.00 -1.71 0.00 0.00 66.02 66.64 1tei s SER 31 CO 0.00 -0.35 1.98 1.62 1.20 0.00 0.00 173.24 177.69 1tei h VAL 32 N 3.82 0.00 -1.50 4.45 3.04 -1.90 -3.37 116.25 120.79 1tei h VAL 32 Ca -0.28 -0.38 -0.63 0.00 -1.01 0.00 0.00 66.70 64.40 1tei h VAL 32 Cb 1.16 1.31 -0.12 0.00 -2.01 0.00 0.00 31.29 31.63 1tei h VAL 32 CO 0.24 0.00 1.33 -0.13 -1.01 0.00 0.00 177.57 178.00 1tei s ARG 33 N -3.66 3.62 0.07 4.17 0.52 -1.26 -4.96 118.95 117.44 1tei s ARG 33 Ca 0.01 -1.37 -0.35 0.00 -0.52 0.00 0.00 55.73 53.50 1tei s ARG 33 Cb 0.09 -5.23 -0.19 0.00 0.52 0.00 0.00 34.95 30.14 1tei s ARG 33 CO 0.49 -2.08 0.86 0.43 0.02 0.00 0.00 175.30 175.02 1tei n SER 34 N 8.13 -0.46 0.13 0.23 7.64 -1.26 -4.84 113.62 123.19 1tei n SER 34 Ca 0.31 1.13 0.13 0.00 1.01 0.00 0.00 58.87 61.45 1tei n SER 34 Cb 0.50 -0.92 0.44 0.00 -1.01 0.00 0.00 64.21 63.22 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 2.23 0.00 -1.78 1.43 1.79 -1.44 -3.45 116.57 115.36 1tei h LYS 35 Ca -0.42 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.08 1tei h LYS 35 Cb 1.41 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.83 1tei h LYS 35 CO 0.61 0.00 0.28 0.21 -1.08 0.00 0.00 179.45 179.47 1tei s LYS 36 N -3.21 0.62 0.24 3.15 2.47 -1.25 -5.03 119.74 116.74 1tei s LYS 36 Ca 0.08 0.82 0.01 0.00 -1.56 0.00 0.00 55.97 55.32 1tei s LYS 36 Cb 0.11 0.26 -0.04 0.00 -1.46 0.00 0.00 37.83 36.69 1tei s LYS 36 CO 0.53 -0.09 0.12 0.95 0.16 0.00 0.00 175.35 177.02 1tei s THR 37 N 0.61 0.29 -0.12 3.43 -4.23 -1.26 -1.68 115.64 112.67 1tei s THR 37 Ca -0.01 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.35 1tei s THR 37 Cb -0.05 -2.56 0.04 0.00 1.34 0.00 0.00 72.50 71.27 1tei s THR 37 CO -0.07 0.00 0.40 0.00 -0.54 0.00 0.00 174.62 174.41 1tei s ALA 38 N -3.90 -1.00 0.32 3.99 0.00 -0.90 -4.99 121.76 115.28 1tei s ALA 38 Ca 0.38 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 53.05 1tei s ALA 38 Cb 0.07 -0.50 -0.11 0.00 0.00 0.00 0.00 23.12 22.58 1tei s ALA 38 CO 0.14 -0.21 1.56 0.21 0.00 0.00 0.00 175.76 177.45 1tei s LYS 39 N -0.14 4.12 -0.12 0.00 2.20 -1.26 -2.13 119.74 122.40 1tei s LYS 39 Ca -0.03 2.57 -0.00 0.00 -0.36 0.00 0.00 55.97 58.15 1tei s LYS 39 Cb -0.03 -3.01 0.02 0.00 -1.51 0.00 0.00 37.83 33.31 1tei s LYS 39 CO 0.02 -0.60 -0.10 -0.46 -0.36 0.00 0.00 175.35 173.85 1tei s TRP 40 N -0.38 1.74 -1.31 4.03 -0.00 -0.65 -4.78 118.94 117.60 1tei s TRP 40 Ca 0.60 -0.91 -0.13 0.00 -0.00 0.00 0.00 56.10 55.66 1tei s TRP 40 Cb -0.47 -1.36 0.12 0.00 -0.00 0.00 0.00 33.47 31.76 1tei s TRP 40 CO 0.53 -0.56 1.83 0.09 -0.00 0.00 0.00 176.95 178.83 1tei n ASN 41 N 4.83 4.83 -4.69 5.86 3.02 -1.26 -4.42 115.26 123.43 1tei n ASN 41 Ca -0.15 -2.99 -0.44 0.00 -0.03 0.00 0.00 54.58 50.98 1tei n ASN 41 Cb 0.50 -1.58 -0.02 0.00 -0.61 0.00 0.00 39.78 38.06 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 5.52 2.20 -3.82 3.52 0.00 -1.26 -4.98 117.12 118.30 1tei n MET 42 Ca 0.43 0.78 -0.35 0.00 -0.00 0.00 0.00 57.70 58.56 1tei n MET 42 Cb 0.40 -2.46 -0.12 0.00 0.00 0.00 0.00 33.22 31.04 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 -0.54 1.92 -0.00 2.12 -0.21 -1.26 -5.07 119.66 116.62 1tei s GLN 43 Ca 0.66 -1.84 -0.34 0.00 0.02 0.00 0.00 55.36 53.86 1tei s GLN 43 Cb -0.61 -3.53 -0.13 0.00 1.00 0.00 0.00 33.01 29.75 1tei s GLN 43 CO 0.50 -1.05 1.74 -1.71 -2.12 0.00 0.00 175.29 172.65 1tei n ASN 44 N 4.52 3.20 0.00 5.90 2.85 -1.26 -2.07 115.26 128.40 1tei n ASN 44 Ca -0.01 1.02 0.00 0.00 -0.11 0.00 0.00 54.58 55.48 1tei n ASN 44 Cb 0.41 -1.37 0.00 0.00 1.24 0.00 0.00 39.78 40.06 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 3.96 0.79 3.50 8.20 0.00 0.04 -4.98 105.19 116.69 1tei n GLY 45 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.42 1.88 -0.14 1.61 1.02 -0.88 -4.96 119.74 117.85 1tei s LYS 46 Ca 0.00 -1.12 -0.29 0.00 0.02 0.00 0.00 55.97 54.57 1tei s LYS 46 Cb 0.00 -2.15 -0.01 0.00 -0.52 0.00 0.00 37.83 35.15 1tei s LYS 46 CO 0.00 0.49 1.10 0.08 -0.92 0.00 0.00 175.35 176.11 1tei s VAL 47 N -1.11 4.55 0.52 3.17 1.01 -1.26 -4.22 120.40 123.06 1tei s VAL 47 Ca 0.18 1.86 0.04 0.00 0.00 0.00 0.00 61.98 64.05 1tei s VAL 47 Cb -0.11 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.09 1tei s VAL 47 CO 0.10 -0.07 0.22 -0.83 0.00 0.00 0.00 175.10 174.52 1tei s GLY 48 N 1.36 2.63 -0.03 4.51 0.00 0.09 -4.60 107.32 111.28 1tei s GLY 48 Ca 0.50 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 44.25 1tei s GLY 48 CO 0.15 -2.04 -0.04 -1.59 0.00 0.00 0.00 173.10 169.57 1tei s THR 49 N -2.80 0.47 -0.05 0.90 2.01 0.14 -2.07 115.64 114.24 1tei s THR 49 Ca 0.23 -0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.14 1tei s THR 49 Cb -0.00 -0.48 -0.02 0.00 0.01 0.00 0.00 72.50 72.01 1tei s THR 49 CO 0.14 0.19 -0.18 0.00 -0.69 0.00 0.00 174.62 174.08 1tei s ALA 50 N 0.64 2.51 -0.10 7.40 0.00 0.46 -1.54 121.76 131.12 1tei s ALA 50 Ca -0.08 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 1tei s ALA 50 Cb -0.11 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.16 1tei s ALA 50 CO -0.00 0.51 -0.00 -1.58 0.00 0.00 0.00 175.76 174.68 1tei s HIS 51 N -0.54 0.85 -0.07 0.00 5.04 0.26 -1.73 115.29 119.10 1tei s HIS 51 Ca 0.07 -0.37 0.02 0.00 -1.54 0.00 0.00 55.06 53.25 1tei s HIS 51 Cb -0.11 -0.90 -0.02 0.00 0.04 0.00 0.00 32.58 31.58 1tei s HIS 51 CO 0.01 -0.40 -0.13 0.42 -2.34 0.00 0.00 174.74 172.29 1tei s ILE 52 N 1.91 3.12 0.04 0.89 1.09 0.11 -1.26 121.20 127.09 1tei s ILE 52 Ca 0.04 -0.69 -0.00 0.00 -1.10 0.00 0.00 60.65 58.90 1tei s ILE 52 Cb -0.13 -2.25 -0.03 0.00 -1.06 0.00 0.00 42.46 38.99 1tei s ILE 52 CO -0.06 0.57 -0.03 0.27 -0.10 0.00 0.00 174.94 175.59 1tei s ILE 53 N -0.44 0.20 -0.13 2.92 -4.36 -0.39 -0.85 121.20 118.16 1tei s ILE 53 Ca 0.05 -1.28 -0.30 0.00 -0.26 0.00 0.00 60.65 58.87 1tei s ILE 53 Cb -0.12 -0.78 0.09 0.00 1.25 0.00 0.00 42.46 42.90 1tei s ILE 53 CO 0.02 -0.68 0.80 -0.47 0.24 0.00 0.00 174.94 174.85 1tei s TYR 54 N -2.40 -0.58 -0.14 1.37 6.14 -0.86 -1.52 117.35 119.36 1tei s TYR 54 Ca -0.06 1.09 -0.16 0.00 0.64 0.00 0.00 57.07 58.58 1tei s TYR 54 Cb -0.03 0.40 0.04 0.00 0.42 0.00 0.00 41.96 42.79 1tei s TYR 54 CO -0.04 -0.47 0.43 0.54 0.64 0.00 0.00 175.55 176.64 1tei s ASN 55 N -0.86 -0.43 0.00 4.32 2.20 -1.26 -1.77 114.94 117.15 1tei s ASN 55 Ca -0.06 0.77 0.13 0.00 -0.94 0.00 0.00 52.86 52.76 1tei s ASN 55 Cb -0.01 0.80 0.62 0.00 -2.00 0.00 0.00 41.25 40.66 1tei s ASN 55 CO 0.05 -0.20 1.37 -1.54 -2.94 0.00 0.00 177.10 173.83 1tei n SER 56 N 2.58 0.00 0.00 3.54 3.41 0.44 -0.99 113.62 122.60 1tei n SER 56 Ca -0.14 0.24 -0.17 0.00 -0.26 0.00 0.00 58.87 58.53 1tei n SER 56 Cb 0.57 -0.36 -0.13 0.00 -0.26 0.00 0.00 64.21 64.02 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 1.59 0.00 -3.33 2.07 -1.90 -3.36 116.25 111.32 1tei h VAL 57 Ca 0.00 -2.34 -0.12 0.00 0.82 0.00 0.00 66.70 65.06 1tei h VAL 57 Cb 0.16 3.12 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 1tei h VAL 57 CO 0.00 0.65 -1.50 0.47 0.02 0.00 0.00 177.57 177.21 1tei n ASP 58 N -4.33 0.65 -3.63 0.57 8.00 -1.20 -4.98 116.55 111.62 1tei n ASP 58 Ca -0.12 0.27 -0.22 0.00 0.71 0.00 0.00 54.79 55.44 1tei n ASP 58 Cb 0.66 0.59 0.04 0.00 -0.02 0.00 0.00 41.12 42.39 1tei n ASP 58 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1tei n LYS 59 N -2.73 -4.13 -4.00 -1.24 5.02 -0.16 -4.89 118.16 106.03 1tei n LYS 59 Ca -0.09 0.63 -0.22 0.00 -2.02 0.00 0.00 58.31 56.61 1tei n LYS 59 Cb 0.76 -5.12 -0.17 0.00 -0.02 0.00 0.00 35.03 30.48 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 -5.77 0.91 -0.22 1.97 3.52 -1.25 -1.57 118.95 116.53 1tei s ARG 60 Ca 0.12 -0.07 -0.10 0.00 -0.13 0.00 0.00 55.73 55.56 1tei s ARG 60 Cb -0.03 -1.04 -0.05 0.00 -1.56 0.00 0.00 34.95 32.27 1tei s ARG 60 CO 0.81 -0.19 0.14 -1.17 -0.81 0.00 0.00 175.30 174.08 1tei s LEU 61 N 1.42 4.09 0.09 -0.88 2.96 -0.48 -4.02 118.68 121.87 1tei s LEU 61 Ca -0.03 0.13 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1tei s LEU 61 Cb -0.13 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 1tei s LEU 61 CO -0.03 0.10 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.56 1tei s SER 62 N 0.82 1.51 -0.02 3.68 0.01 -0.58 -1.25 113.70 117.87 1tei s SER 62 Ca 0.07 -0.77 -0.07 0.00 1.31 0.00 0.00 55.95 56.49 1tei s SER 62 Cb -0.13 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.10 1tei s SER 62 CO 0.02 -0.22 0.16 0.00 0.41 0.00 0.00 173.24 173.61 1tei s ALA 63 N -2.20 -0.39 -0.03 1.44 0.00 -0.21 -1.26 121.76 119.11 1tei s ALA 63 Ca 0.04 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1tei s ALA 63 Cb -0.04 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1tei s ALA 63 CO 0.01 -0.17 -0.04 0.08 0.00 0.00 0.00 175.76 175.64 1tei s VAL 64 N -0.87 0.44 -0.03 0.00 1.01 -0.39 -1.88 120.40 118.68 1tei s VAL 64 Ca -0.10 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.79 1tei s VAL 64 Cb -0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 1tei s VAL 64 CO 0.01 0.17 -0.15 -0.69 0.00 0.00 0.00 175.10 174.44 1tei s VAL 65 N 0.51 1.22 0.17 2.92 1.01 -0.79 -0.57 120.40 124.87 1tei s VAL 65 Ca -0.06 -0.63 -0.23 0.00 0.00 0.00 0.00 61.98 61.06 1tei s VAL 65 Cb -0.10 -1.04 0.07 0.00 0.00 0.00 0.00 36.38 35.31 1tei s VAL 65 CO -0.00 0.35 0.63 -0.94 0.00 0.00 0.00 175.10 175.14 1tei s SER 66 N -0.13 -0.52 0.14 3.32 1.04 -0.59 -0.82 113.70 116.14 1tei s SER 66 Ca 0.01 -0.07 0.09 0.00 0.48 0.00 0.00 55.95 56.46 1tei s SER 66 Cb -0.08 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1tei s SER 66 CO 0.01 -1.00 -0.21 -0.31 0.98 0.00 0.00 173.24 172.71 1tei s TYR 67 N -3.74 1.92 0.71 5.02 2.02 -1.26 -0.69 117.35 121.33 1tei s TYR 67 Ca 0.02 -0.42 -0.16 0.00 -0.37 0.00 0.00 57.07 56.14 1tei s TYR 67 Cb -0.02 -1.00 0.01 0.00 -0.40 0.00 0.00 41.96 40.55 1tei s TYR 67 CO -0.10 0.30 1.04 -2.30 -1.57 0.00 0.00 175.55 172.91 1tei n PRO 68 N 0.70 0.59 -4.00 -1.71 -0.02 -1.26 -2.95 135.00 126.36 1tei n PRO 68 Ca -0.16 0.26 -0.28 0.00 -2.02 0.00 0.00 63.50 61.30 1tei n PRO 68 Cb 0.55 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 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 -1.81 -1.33 -3.49 2.55 5.03 -1.26 -4.96 115.26 109.99 1tei n ASN 69 Ca 0.14 -0.98 -0.12 0.00 0.87 0.00 0.00 54.58 54.48 1tei n ASN 69 Cb 0.49 -3.10 -0.04 0.00 -1.02 0.00 0.00 39.78 36.12 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 -3.75 -1.76 0.49 5.41 0.00 -1.15 -5.16 121.76 115.84 1tei s ALA 70 Ca 0.21 1.02 -0.21 0.00 0.00 0.00 0.00 51.96 52.98 1tei s ALA 70 Cb -0.11 0.27 -0.07 0.00 0.00 0.00 0.00 23.12 23.21 1tei s ALA 70 CO 0.89 -0.57 1.12 -0.51 0.00 0.00 0.00 175.76 176.69 1tei s ASP 71 N -2.00 6.09 0.12 0.00 1.01 -1.26 -4.60 116.67 116.03 1tei s ASP 71 Ca -0.02 2.16 0.01 0.00 0.71 0.00 0.00 52.55 55.41 1tei s ASP 71 Cb -0.01 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1tei s ASP 71 CO -0.03 -0.96 0.26 -0.94 0.21 0.00 0.00 175.17 173.71 1tei s SER 72 N -1.65 6.35 -0.10 0.27 1.04 -1.26 -4.59 113.70 113.76 1tei s SER 72 Ca 0.67 0.24 -0.07 0.00 0.48 0.00 0.00 55.95 57.27 1tei s SER 72 Cb -0.24 -1.94 -0.04 0.00 0.10 0.00 0.00 66.02 63.90 1tei s SER 72 CO 0.28 0.09 0.15 0.00 0.98 0.00 0.00 173.24 174.75 1tei s ALA 73 N -1.65 3.89 0.01 5.32 0.00 -0.00 -4.94 121.76 124.38 1tei s ALA 73 Ca 0.35 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.70 1tei s ALA 73 Cb -0.12 -1.97 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 1tei s ALA 73 CO 0.28 0.63 -0.12 0.99 0.00 0.00 0.00 175.76 177.54 1tei s THR 74 N -1.07 0.95 -0.09 0.00 2.01 -1.26 -1.88 115.64 114.30 1tei s THR 74 Ca 0.17 -0.71 -0.08 0.00 0.31 0.00 0.00 61.69 61.38 1tei s THR 74 Cb -0.12 -0.83 0.02 0.00 0.01 0.00 0.00 72.50 71.58 1tei s THR 74 CO 0.06 0.12 0.24 0.54 -0.69 0.00 0.00 174.62 174.89 1tei s VAL 75 N -0.54 -0.00 0.02 3.82 0.11 -0.79 -4.74 120.40 118.28 1tei s VAL 75 Ca 0.02 0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 59.05 1tei s VAL 75 Cb -0.06 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 1tei s VAL 75 CO 0.00 0.00 0.03 -0.55 -3.33 0.00 0.00 175.10 171.26 1tei s SER 76 N 0.17 0.20 -0.19 3.54 0.15 -1.26 -1.04 113.70 115.26 1tei s SER 76 Ca -0.00 -0.48 -0.16 0.00 0.70 0.00 0.00 55.95 56.00 1tei s SER 76 Cb -0.02 0.16 0.05 0.00 -1.71 0.00 0.00 66.02 64.50 1tei s SER 76 CO -0.00 -0.38 0.51 -0.47 1.20 0.00 0.00 173.24 174.10 1tei s TYR 77 N -1.87 -0.60 -0.29 3.44 5.04 -0.38 -4.96 117.35 117.72 1tei s TYR 77 Ca -0.12 1.41 -0.27 0.00 -2.44 0.00 0.00 57.07 55.66 1tei s TYR 77 Cb -0.06 0.23 0.01 0.00 0.35 0.00 0.00 41.96 42.49 1tei s TYR 77 CO -0.02 -0.30 0.95 -0.51 -1.34 0.00 0.00 175.55 174.33 1tei s ASP 78 N 0.52 6.85 -0.16 4.32 1.01 -1.26 -1.38 116.67 126.57 1tei s ASP 78 Ca -0.02 0.96 -0.08 0.00 0.71 0.00 0.00 52.55 54.13 1tei s ASP 78 Cb -0.04 -2.49 0.07 0.00 1.01 0.00 0.00 42.92 41.47 1tei s ASP 78 CO -0.03 -0.72 0.38 0.54 0.21 0.00 0.00 175.17 175.55 1tei s VAL 79 N 3.27 -0.24 -0.67 -1.27 0.11 -0.61 -4.99 120.40 116.01 1tei s VAL 79 Ca 0.40 0.14 -0.22 0.00 -2.93 0.00 0.00 61.98 59.37 1tei s VAL 79 Cb -0.14 -0.58 0.08 0.00 -1.53 0.00 0.00 36.38 34.22 1tei s VAL 79 CO 0.12 0.06 0.93 -0.62 -3.33 0.00 0.00 175.10 172.26 1tei s ASP 80 N 1.82 6.21 0.56 3.54 2.15 -1.26 -4.34 116.67 125.34 1tei s ASP 80 Ca -0.06 -1.16 0.37 0.00 0.43 0.00 0.00 52.55 52.12 1tei s ASP 80 Cb -0.10 -2.39 1.99 0.00 -0.30 0.00 0.00 42.92 42.12 1tei s ASP 80 CO -0.12 -1.35 2.12 -0.07 -0.17 0.00 0.00 175.17 175.58 1tei h LEU 81 N 11.02 0.00 -1.64 -1.34 3.38 -1.98 -2.20 115.31 122.54 1tei h LEU 81 Ca -0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1tei h LEU 81 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1tei h LEU 81 CO 1.16 0.00 -0.01 0.44 0.09 0.00 0.00 178.44 180.12 1tei h ASP 82 N 0.00 0.19 -0.15 -0.43 3.32 -1.90 -1.35 116.42 116.10 1tei h ASP 82 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1tei h ASP 82 Cb 0.05 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1tei h ASP 82 CO 0.00 0.24 0.00 0.59 -1.72 0.00 0.00 179.24 178.35 1tei n ASN 83 N -4.40 2.40 -0.03 6.45 3.02 -0.83 -4.50 115.26 117.37 1tei n ASN 83 Ca -0.01 -1.80 -0.06 0.00 -0.03 0.00 0.00 54.58 52.68 1tei n ASN 83 Cb 0.17 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 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 0.83 0.38 -4.11 2.41 0.31 -0.68 -5.07 118.33 112.40 1tei n VAL 84 Ca 0.17 -0.13 -0.24 0.00 -0.01 0.00 0.00 64.34 64.13 1tei n VAL 84 Cb 0.47 -1.05 -0.05 0.00 -0.91 0.00 0.00 33.84 32.30 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 -5.75 3.75 0.90 7.52 1.43 -0.60 -4.96 118.68 120.97 1tei s LEU 85 Ca -0.09 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 1tei s LEU 85 Cb 0.03 -2.33 0.13 0.00 0.03 0.00 0.00 46.19 44.05 1tei s LEU 85 CO 0.14 0.03 1.12 -2.84 0.23 0.00 0.00 176.35 175.02 1tei s PRO 86 N -3.40 1.25 0.26 1.29 0.02 -1.26 -4.78 135.00 128.38 1tei s PRO 86 Ca 0.31 0.45 -0.03 0.00 0.02 0.00 0.00 61.00 61.75 1tei s PRO 86 Cb -0.09 -1.84 0.40 0.00 0.02 0.00 0.00 34.50 32.99 1tei s PRO 86 CO 0.23 -2.15 1.87 1.49 -0.33 0.00 0.00 177.00 178.11 1tei h GLU 87 N -1.47 1.09 -5.64 5.54 4.81 -1.94 -3.41 114.58 113.55 1tei h GLU 87 Ca -0.50 -0.07 -0.66 0.00 -0.13 0.00 0.00 59.36 58.00 1tei h GLU 87 Cb 1.31 -0.25 -0.21 0.00 0.63 0.00 0.00 28.75 30.24 1tei h GLU 87 CO 0.60 0.72 -0.69 -1.58 -0.73 0.00 0.00 179.01 177.33 1tei s TRP 88 N -6.04 2.97 0.25 0.92 0.52 -1.26 -1.82 118.94 114.48 1tei s TRP 88 Ca -0.12 -0.21 0.04 0.00 0.02 0.00 0.00 56.10 55.82 1tei s TRP 88 Cb 0.20 -1.84 -0.01 0.00 -1.15 0.00 0.00 33.47 30.66 1tei s TRP 88 CO 0.81 0.09 0.26 1.33 0.02 0.00 0.00 176.95 179.46 1tei n VAL 89 N 3.00 0.00 -4.45 4.03 0.24 -0.14 -4.27 118.33 116.74 1tei n VAL 89 Ca -0.18 -1.68 -0.20 0.00 -2.04 0.00 0.00 64.34 60.23 1tei n VAL 89 Cb 0.53 0.89 -0.14 0.00 -1.47 0.00 0.00 33.84 33.64 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 -2.90 0.96 0.10 7.34 0.52 0.50 0.12 118.95 125.58 1tei s ARG 90 Ca 0.28 -0.59 0.06 0.00 -0.52 0.00 0.00 55.73 54.96 1tei s ARG 90 Cb 0.01 -0.94 -0.04 0.00 0.52 0.00 0.00 34.95 34.50 1tei s ARG 90 CO 0.20 0.24 -0.05 0.14 0.02 0.00 0.00 175.30 175.85 1tei s VAL 91 N -0.56 3.68 0.09 3.52 -7.23 -1.26 -0.67 120.40 117.96 1tei s VAL 91 Ca 0.03 -1.15 -0.10 0.00 -1.81 0.00 0.00 61.98 58.95 1tei s VAL 91 Cb -0.06 -2.74 0.04 0.00 0.56 0.00 0.00 36.38 34.17 1tei s VAL 91 CO 0.00 0.11 0.48 0.61 -0.31 0.00 0.00 175.10 175.99 1tei n GLY 92 N 0.61 0.98 3.24 2.32 0.00 0.46 -1.74 105.19 111.06 1tei n GLY 92 Ca -0.12 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 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 2.05 0.07 0.99 1.43 -0.08 -0.55 118.68 122.59 1tei s LEU 93 Ca 0.11 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1tei s LEU 93 Cb -0.01 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 1tei s LEU 93 CO 0.03 0.26 -0.09 -0.55 0.23 0.00 0.00 176.35 176.22 1tei s SER 94 N -0.57 1.23 0.13 2.29 0.15 0.53 -1.28 113.70 116.17 1tei s SER 94 Ca 0.08 -0.73 -0.24 0.00 0.70 0.00 0.00 55.95 55.77 1tei s SER 94 Cb -0.08 0.02 0.07 0.00 -1.71 0.00 0.00 66.02 64.32 1tei s SER 94 CO -0.01 -0.25 0.60 0.00 1.20 0.00 0.00 173.24 174.78 1tei s ALA 95 N -2.10 -1.57 0.22 5.45 0.00 -0.73 -0.04 121.76 122.98 1tei s ALA 95 Ca 0.00 0.57 -0.21 0.00 0.00 0.00 0.00 51.96 52.32 1tei s ALA 95 Cb -0.05 0.74 0.04 0.00 0.00 0.00 0.00 23.12 23.85 1tei s ALA 95 CO -0.00 -0.70 0.63 -1.54 0.00 0.00 0.00 175.76 174.15 1tei s SER 96 N -2.52 -0.37 0.08 0.00 1.04 -1.12 -2.27 113.70 108.53 1tei s SER 96 Ca -0.01 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1tei s SER 96 Cb -0.01 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 1tei s SER 96 CO -0.10 -1.14 -0.04 0.42 0.98 0.00 0.00 173.24 173.36 1tei s THR 97 N -3.85 0.43 0.00 2.02 -4.23 -0.18 -0.29 115.64 109.55 1tei s THR 97 Ca 0.07 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 1tei s THR 97 Cb -0.03 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.18 1tei s THR 97 CO -0.02 -0.91 0.00 0.61 -0.54 0.00 0.00 174.62 173.76 1tei n GLY 98 N 0.02 3.40 0.27 3.99 0.00 -1.26 -0.75 105.19 110.86 1tei n GLY 98 Ca -0.13 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 0.90 -9.79 0.99 5.85 -1.97 -0.54 115.31 110.75 1tei h LEU 99 Ca 0.00 -0.33 -0.58 0.00 0.84 0.00 0.00 57.88 57.80 1tei h LEU 99 Cb 0.00 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 1tei h LEU 99 CO 0.00 1.08 -0.55 -0.31 -0.34 0.00 0.00 178.44 178.32 1tei s TYR 100 N -4.64 3.23 0.46 1.25 2.02 -1.26 -4.88 117.35 113.53 1tei s TYR 100 Ca -0.10 0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.66 1tei s TYR 100 Cb 0.13 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 40.10 1tei s TYR 100 CO 0.85 0.52 0.07 -1.59 -1.57 0.00 0.00 175.55 173.83 1tei s LYS 101 N -2.95 2.08 -0.25 -0.62 0.00 -1.25 -4.39 119.74 112.35 1tei s LYS 101 Ca 0.31 -2.30 -0.33 0.00 0.00 0.00 0.00 55.97 53.65 1tei s LYS 101 Cb -0.11 -1.08 0.16 0.00 0.00 0.00 0.00 37.83 36.81 1tei s LYS 101 CO 0.24 -0.43 1.29 -1.83 0.00 0.00 0.00 175.35 174.63 1tei s GLU 102 N -3.79 0.16 0.32 1.78 -1.05 -1.14 -3.34 118.70 111.64 1tei s GLU 102 Ca 0.14 -0.01 -0.19 0.00 -0.15 0.00 0.00 54.97 54.76 1tei s GLU 102 Cb 0.02 0.08 -0.09 0.00 -0.44 0.00 0.00 34.13 33.69 1tei s GLU 102 CO 0.09 -0.06 0.80 0.95 0.95 0.00 0.00 175.26 177.98 1tei s THR 103 N -1.64 4.54 -0.53 1.83 -4.23 0.50 -4.79 115.64 111.32 1tei s THR 103 Ca 0.09 1.24 0.07 0.00 -1.18 0.00 0.00 61.69 61.91 1tei s THR 103 Cb -0.01 -3.72 0.30 0.00 1.34 0.00 0.00 72.50 70.41 1tei s THR 103 CO -0.05 -0.07 0.80 0.59 -0.54 0.00 0.00 174.62 175.35 1tei n ASN 104 N -0.02 3.06 -4.72 3.99 4.13 -1.26 -3.64 115.26 116.80 1tei n ASN 104 Ca 0.02 -3.37 -0.41 0.00 1.68 0.00 0.00 54.58 52.51 1tei n ASN 104 Cb 0.52 -0.61 -0.04 0.00 -1.54 0.00 0.00 39.78 38.11 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 -3.09 4.93 -0.23 3.41 2.01 -1.11 -2.31 115.64 119.26 1tei s THR 105 Ca 0.43 1.72 -0.05 0.00 0.31 0.00 0.00 61.69 64.10 1tei s THR 105 Cb 0.24 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 1tei s THR 105 CO -0.09 0.23 0.01 -0.63 -0.69 0.00 0.00 174.62 173.45 1tei s ILE 106 N 0.78 3.83 -0.21 1.82 -1.09 -0.06 -0.74 121.20 125.54 1tei s ILE 106 Ca 0.44 -0.34 0.22 0.00 -2.23 0.00 0.00 60.65 58.74 1tei s ILE 106 Cb -0.19 -2.76 -0.16 0.00 -1.58 0.00 0.00 42.46 37.77 1tei s ILE 106 CO 0.23 0.40 0.80 0.18 -1.23 0.00 0.00 174.94 175.32 1tei n LEU 107 N 4.71 0.47 -3.50 2.97 4.32 0.57 -1.81 117.00 124.73 1tei n LEU 107 Ca -0.17 0.14 -0.11 0.00 -0.02 0.00 0.00 56.01 55.85 1tei n LEU 107 Cb 0.51 -0.04 -0.03 0.00 -1.62 0.00 0.00 43.42 42.24 1tei n LEU 107 CO 0.30 -0.07 0.61 -0.94 -1.22 0.00 0.00 177.39 176.07 1tei s SER 108 N -4.79 -0.44 -0.27 -1.43 1.04 -1.22 -4.48 113.70 102.10 1tei s SER 108 Ca -0.03 0.14 -0.22 0.00 0.48 0.00 0.00 55.95 56.33 1tei s SER 108 Cb 0.12 0.44 0.08 0.00 0.10 0.00 0.00 66.02 66.76 1tei s SER 108 CO 0.84 -0.65 0.74 0.86 0.98 0.00 0.00 173.24 176.01 1tei s TRP 109 N -2.72 -0.86 0.02 5.02 -0.00 -0.16 -1.97 118.94 118.26 1tei s TRP 109 Ca 0.01 1.93 -0.04 0.00 -0.00 0.00 0.00 56.10 58.00 1tei s TRP 109 Cb -0.01 0.40 -0.01 0.00 -0.00 0.00 0.00 33.47 33.86 1tei s TRP 109 CO -0.06 -0.42 0.07 -1.54 -0.00 0.00 0.00 176.95 175.00 1tei s SER 110 N 0.83 0.13 -0.10 5.86 1.04 0.37 -0.03 113.70 121.80 1tei s SER 110 Ca -0.03 -0.38 -0.09 0.00 0.48 0.00 0.00 55.95 55.93 1tei s SER 110 Cb -0.05 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.27 1tei s SER 110 CO -0.07 -0.37 0.26 0.12 0.98 0.00 0.00 173.24 174.16 1tei s PHE 111 N -1.64 -0.29 -0.02 5.02 5.36 -0.68 -1.19 117.98 124.54 1tei s PHE 111 Ca -0.13 0.70 0.01 0.00 -0.96 0.00 0.00 56.93 56.54 1tei s PHE 111 Cb -0.07 0.10 0.02 0.00 -0.34 0.00 0.00 43.02 42.73 1tei s PHE 111 CO -0.00 -0.14 -0.01 0.99 -1.46 0.00 0.00 175.22 174.60 1tei s THR 112 N 0.13 0.22 -0.03 0.12 2.01 0.16 -1.78 115.64 116.47 1tei s THR 112 Ca -0.00 0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.03 1tei s THR 112 Cb -0.02 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.23 1tei s THR 112 CO 0.00 0.13 -0.06 -0.55 -0.69 0.00 0.00 174.62 173.46 1tei s SER 113 N 0.75 0.96 -0.02 3.53 0.15 -0.44 -0.63 113.70 117.99 1tei s SER 113 Ca -0.08 -0.14 0.02 0.00 0.70 0.00 0.00 55.95 56.46 1tei s SER 113 Cb -0.11 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 63.84 1tei s SER 113 CO -0.01 -0.00 -0.08 -0.54 1.20 0.00 0.00 173.24 173.81 1tei s LYS 114 N 0.54 0.75 -0.13 5.44 1.02 0.14 -1.33 119.74 126.17 1tei s LYS 114 Ca -0.07 -0.26 -0.00 0.00 0.02 0.00 0.00 55.97 55.65 1tei s LYS 114 Cb -0.11 -0.72 0.03 0.00 -0.52 0.00 0.00 37.83 36.51 1tei s LYS 114 CO 0.00 0.12 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.96 1tei s LEU 115 N 0.07 1.38 -0.24 3.17 1.43 0.25 -1.22 118.68 123.52 1tei s LEU 115 Ca -0.01 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 1tei s LEU 115 Cb -0.06 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.23 1tei s LEU 115 CO -0.00 -0.13 0.02 -0.75 0.23 0.00 0.00 176.35 175.72 1tei s LYS 116 N 1.65 3.53 0.00 1.70 2.20 0.57 -0.46 119.74 128.93 1tei s LYS 116 Ca 0.04 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.10 1tei s LYS 116 Cb -0.13 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1tei s LYS 116 CO -0.08 -0.19 0.00 0.43 -0.36 0.00 0.00 175.35 175.14 1tei n SER 117 N 4.86 0.00 -3.60 1.43 7.64 -0.52 0.90 113.62 124.33 1tei n SER 117 Ca -0.17 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.32 1tei n SER 117 Cb 0.51 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.00 6.72 -3.64 6.43 4.13 -1.25 -4.46 115.26 123.19 1tei n ASN 118 Ca 0.00 -3.64 -0.10 0.00 1.68 0.00 0.00 54.58 52.52 1tei n ASN 118 Cb 0.00 -1.09 -0.07 0.00 -1.54 0.00 0.00 39.78 37.08 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 -1.74 -0.55 -0.05 6.41 0.01 -1.26 -5.11 113.70 111.41 1tei s SER 119 Ca 0.39 1.05 -0.39 0.00 1.31 0.00 0.00 55.95 58.31 1tei s SER 119 Cb 0.18 1.07 -0.17 0.00 0.21 0.00 0.00 66.02 67.30 1tei s SER 119 CO -0.09 -0.18 1.38 0.35 0.41 0.00 0.00 173.24 175.11 1tei n THR 120 N 2.42 0.06 -0.71 1.44 -2.24 -1.26 -1.70 114.28 112.29 1tei n THR 120 Ca -0.13 -0.01 -0.01 0.00 -2.27 0.00 0.00 64.05 61.63 1tei n THR 120 Cb 0.56 -0.69 -0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1tei n THR 120 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1tei n HIS 121 N 2.97 -0.02 -2.33 4.78 -0.00 -1.26 -4.81 115.22 114.56 1tei n HIS 121 Ca 0.21 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.58 1tei n HIS 121 Cb 0.13 -1.57 -0.03 0.00 -0.00 0.00 0.00 29.99 28.53 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 -1.44 3.23 -0.14 1.57 2.02 -0.69 -4.87 118.70 118.38 1tei s GLU 122 Ca 0.00 -1.42 0.00 0.00 0.02 0.00 0.00 54.97 53.57 1tei s GLU 122 Cb 0.00 -5.36 -0.01 0.00 0.10 0.00 0.00 34.13 28.86 1tei s GLU 122 CO 0.00 -3.03 -0.15 0.99 0.02 0.00 0.00 175.26 173.09 1tei s THR 123 N 7.51 2.81 -0.10 3.63 2.01 -1.26 -1.44 115.64 128.81 1tei s THR 123 Ca 0.60 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.84 1tei s THR 123 Cb 0.01 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1tei s THR 123 CO 0.07 0.52 0.02 0.20 -0.69 0.00 0.00 174.62 174.75 1tei s ASN 124 N 0.53 5.39 0.07 3.53 -0.87 0.39 -4.94 114.94 119.05 1tei s ASN 124 Ca -0.10 0.18 -0.08 0.00 -1.57 0.00 0.00 52.86 51.28 1tei s ASN 124 Cb -0.16 -1.58 -0.00 0.00 -0.02 0.00 0.00 41.25 39.49 1tei s ASN 124 CO 0.04 0.37 0.18 0.00 -2.57 0.00 0.00 177.10 175.12 1tei s ALA 125 N -0.81 -0.23 -0.01 0.60 0.00 -1.26 -0.58 121.76 119.47 1tei s ALA 125 Ca 0.12 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1tei s ALA 125 Cb -0.12 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.40 1tei s ALA 125 CO 0.02 -0.44 -0.02 -1.17 0.00 0.00 0.00 175.76 174.15 1tei s LEU 126 N -2.56 1.89 -0.21 0.00 2.96 -0.44 -5.00 118.68 115.31 1tei s LEU 126 Ca 0.01 -0.03 -0.14 0.00 -0.22 0.00 0.00 54.13 53.75 1tei s LEU 126 Cb 0.03 -0.12 0.06 0.00 0.50 0.00 0.00 46.19 46.66 1tei s LEU 126 CO -0.08 0.01 0.52 -2.28 -1.32 0.00 0.00 176.35 173.19 1tei s HIS 127 N 0.10 -0.72 0.02 5.38 5.65 -1.26 -1.33 115.29 123.13 1tei s HIS 127 Ca -0.01 1.55 0.01 0.00 0.25 0.00 0.00 55.06 56.86 1tei s HIS 127 Cb -0.03 0.34 -0.02 0.00 -1.18 0.00 0.00 32.58 31.70 1tei s HIS 127 CO -0.00 -0.37 -0.04 -0.59 -0.65 0.00 0.00 174.74 173.09 1tei s PHE 128 N 1.11 0.34 -0.07 3.88 -0.12 -0.73 -5.01 117.98 117.38 1tei s PHE 128 Ca -0.07 -0.42 -0.03 0.00 -0.05 0.00 0.00 56.93 56.37 1tei s PHE 128 Cb -0.06 -0.23 0.04 0.00 -0.63 0.00 0.00 43.02 42.15 1tei s PHE 128 CO -0.10 -0.12 0.14 1.41 -0.05 0.00 0.00 175.22 176.49 1tei s MET 129 N -1.19 0.03 -0.24 1.99 1.75 -1.26 -1.68 119.30 118.69 1tei s MET 129 Ca -0.11 0.48 -0.01 0.00 -1.25 0.00 0.00 55.69 54.80 1tei s MET 129 Cb -0.08 -0.28 0.03 0.00 2.84 0.00 0.00 34.83 37.34 1tei s MET 129 CO -0.00 -0.27 -0.08 -0.06 -0.65 0.00 0.00 175.02 173.95 1tei s PHE 130 N 1.96 3.05 -0.61 4.11 0.08 0.95 -4.92 117.98 122.61 1tei s PHE 130 Ca -0.00 -1.62 0.09 0.00 0.12 0.00 0.00 56.93 55.52 1tei s PHE 130 Cb -0.12 -2.03 -0.06 0.00 -0.57 0.00 0.00 43.02 40.23 1tei s PHE 130 CO -0.05 -0.75 0.48 0.09 -0.10 0.00 0.00 175.22 174.89 1tei n ASN 131 N 4.64 0.72 -3.69 1.36 3.02 -1.26 -0.99 115.26 119.06 1tei n ASN 131 Ca -0.17 -0.86 -0.11 0.00 -0.03 0.00 0.00 54.58 53.41 1tei n ASN 131 Cb 0.47 0.80 -0.10 0.00 -0.61 0.00 0.00 39.78 40.35 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 -1.68 0.52 -0.13 3.52 0.74 -1.26 -4.78 119.66 116.59 1tei s GLN 132 Ca 0.05 0.80 -0.02 0.00 0.05 0.00 0.00 55.36 56.24 1tei s GLN 132 Cb 0.07 0.15 -0.03 0.00 1.10 0.00 0.00 33.01 34.30 1tei s GLN 132 CO 0.33 -0.11 -0.06 -0.06 -0.55 0.00 0.00 175.29 174.84 1tei s PHE 133 N 0.87 2.97 0.58 1.67 0.08 0.26 -5.04 117.98 119.38 1tei s PHE 133 Ca -0.05 -0.28 0.01 0.00 0.12 0.00 0.00 56.93 56.73 1tei s PHE 133 Cb -0.06 -1.88 0.05 0.00 -0.57 0.00 0.00 43.02 40.57 1tei s PHE 133 CO -0.07 0.02 0.82 -1.54 -0.10 0.00 0.00 175.22 174.35 1tei s SER 134 N 0.07 5.11 0.34 1.36 1.04 -1.26 -3.83 113.70 116.53 1tei s SER 134 Ca -0.02 -0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.41 1tei s SER 134 Cb -0.14 -0.71 0.63 0.00 0.10 0.00 0.00 66.02 65.90 1tei s SER 134 CO 0.03 -1.28 1.83 0.50 0.98 0.00 0.00 173.24 175.30 1tei h LYS 135 N -0.04 0.31 -3.09 4.02 3.64 -1.87 -3.18 116.57 116.35 1tei h LYS 135 Ca -0.41 -0.09 -0.63 0.00 -1.27 0.00 0.00 60.65 58.25 1tei h LYS 135 Cb 1.29 -0.03 -0.42 0.00 -0.41 0.00 0.00 32.23 32.67 1tei h LYS 135 CO 0.50 0.50 -0.53 -3.47 -2.27 0.00 0.00 179.45 174.18 1tei n ASP 136 N -4.19 3.14 -4.43 4.20 2.03 -1.26 -4.76 116.55 111.27 1tei n ASP 136 Ca -0.00 -3.21 -0.44 0.00 0.52 0.00 0.00 54.79 51.65 1tei n ASP 136 Cb 0.33 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 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 1.96 3.35 0.18 -0.67 -0.06 -1.24 -4.86 117.38 116.03 1tei n GLN 137 Ca 0.20 -3.72 0.11 0.00 -2.00 0.00 0.00 57.00 51.60 1tei n GLN 137 Cb 0.35 -3.11 0.59 0.00 -4.06 0.00 0.00 30.24 24.01 1tei n GLN 137 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1tei h LYS 138 N 7.08 0.00 -0.64 3.69 1.57 -1.94 -2.02 116.57 124.31 1tei h LYS 138 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1tei h LYS 138 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1tei h LYS 138 CO 1.32 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.80 1tei n ASP 139 N -2.29 3.44 -4.27 0.86 5.68 -1.26 -4.88 116.55 113.83 1tei n ASP 139 Ca -0.01 -2.01 -0.28 0.00 -0.50 0.00 0.00 54.79 51.99 1tei n ASP 139 Cb 0.11 -0.43 -0.15 0.00 -1.14 0.00 0.00 41.12 39.51 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 -1.02 2.13 -0.40 -2.12 1.43 -0.76 -0.82 118.68 117.11 1tei s LEU 140 Ca 0.43 -0.50 -0.09 0.00 -1.03 0.00 0.00 54.13 52.93 1tei s LEU 140 Cb 0.22 -1.11 0.06 0.00 0.03 0.00 0.00 46.19 45.40 1tei s LEU 140 CO 0.29 0.22 0.24 -0.63 0.23 0.00 0.00 176.35 176.69 1tei s ILE 141 N -0.71 4.26 -0.03 -0.59 1.01 0.22 -4.85 121.20 120.52 1tei s ILE 141 Ca 0.09 -1.26 -0.21 0.00 0.00 0.00 0.00 60.65 59.27 1tei s ILE 141 Cb -0.09 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1tei s ILE 141 CO 0.01 -0.42 0.60 -0.76 0.00 0.00 0.00 174.94 174.37 1tei s LEU 142 N 1.45 4.38 0.15 2.97 1.43 -1.26 -1.54 118.68 126.26 1tei s LEU 142 Ca 0.02 1.12 0.08 0.00 -1.03 0.00 0.00 54.13 54.33 1tei s LEU 142 Cb -0.22 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 1tei s LEU 142 CO 0.03 0.05 -0.19 -1.10 0.23 0.00 0.00 176.35 175.37 1tei s GLN 143 N 0.09 1.24 6.11 1.70 -0.21 -0.18 -5.00 119.66 123.42 1tei s GLN 143 Ca 0.32 -1.36 0.00 0.00 0.02 0.00 0.00 55.36 54.34 1tei s GLN 143 Cb -0.18 -1.33 0.00 0.00 1.00 0.00 0.00 33.01 32.51 1tei s GLN 143 CO 0.16 0.28 0.00 0.41 -2.12 0.00 0.00 175.29 174.02 1tei n GLY 144 N 0.44 2.32 0.74 3.09 0.00 -1.26 -1.64 105.19 108.88 1tei n GLY 144 Ca -0.14 -0.45 0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 3.31 2.17 -4.75 1.61 8.00 0.17 -4.93 116.55 122.14 1tei n ASP 145 Ca 0.00 -1.90 -0.41 0.00 0.71 0.00 0.00 54.79 53.19 1tei n ASP 145 Cb 0.00 -0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 40.86 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 -1.56 3.65 0.05 2.24 0.00 -1.04 -4.25 121.76 120.85 1tei s ALA 146 Ca 0.31 1.38 -0.06 0.00 0.00 0.00 0.00 51.96 53.59 1tei s ALA 146 Cb 0.16 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 1tei s ALA 146 CO 0.23 -0.80 0.11 0.95 0.00 0.00 0.00 175.76 176.25 1tei s THR 147 N 0.00 0.14 0.39 0.00 -4.23 -0.06 -4.74 115.64 107.14 1tei s THR 147 Ca 0.60 -1.14 0.05 0.00 -1.18 0.00 0.00 61.69 60.02 1tei s THR 147 Cb -0.43 -1.00 -0.07 0.00 1.34 0.00 0.00 72.50 72.34 1tei s THR 147 CO 0.44 -0.63 0.03 0.42 -0.54 0.00 0.00 174.62 174.34 1tei s THR 148 N -2.87 1.61 0.00 3.99 -4.23 -1.26 -0.51 115.64 112.36 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 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 71.01 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 -0.91 3.03 3.57 3.99 0.00 -1.00 -4.55 105.19 109.32 1tei n GLY 149 Ca -0.05 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.15 3.06 -0.45 2.61 2.01 -1.26 -1.84 115.64 117.62 1tei s THR 150 Ca 0.00 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1tei s THR 150 Cb 0.00 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.08 1tei s THR 150 CO 0.00 -0.12 0.00 0.47 -0.69 0.00 0.00 174.62 174.28 1tei n ASP 151 N 18.61 -3.43 -0.00 3.53 8.00 -1.26 -3.12 116.55 138.87 1tei n ASP 151 Ca 0.45 0.10 -0.00 0.00 0.71 0.00 0.00 54.79 56.05 1tei n ASP 151 Cb 0.45 -1.40 -0.00 0.00 -0.02 0.00 0.00 41.12 40.14 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 -2.38 0.44 3.84 0.44 0.00 -0.77 -4.98 105.19 101.78 1tei n GLY 152 Ca -0.04 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.55 4.70 -0.28 1.61 0.01 -1.18 -0.57 114.94 116.67 1tei s ASN 153 Ca 0.00 -1.04 -0.03 0.00 -0.71 0.00 0.00 52.86 51.08 1tei s ASN 153 Cb 0.00 -0.17 0.03 0.00 0.41 0.00 0.00 41.25 41.52 1tei s ASN 153 CO 0.00 -0.79 0.00 -0.22 -1.51 0.00 0.00 177.10 174.59 1tei s LEU 154 N -4.11 3.67 -0.47 0.60 2.96 -0.75 -2.37 118.68 118.21 1tei s LEU 154 Ca 0.40 -1.02 -0.18 0.00 -0.22 0.00 0.00 54.13 53.11 1tei s LEU 154 Cb -0.01 -1.74 0.05 0.00 0.50 0.00 0.00 46.19 45.00 1tei s LEU 154 CO 0.23 -0.21 0.52 -1.61 -1.32 0.00 0.00 176.35 173.96 1tei s GLU 155 N 1.33 3.09 0.18 1.98 0.41 0.33 -0.88 118.70 125.14 1tei s GLU 155 Ca -0.02 -0.94 -0.09 0.00 -0.41 0.00 0.00 54.97 53.51 1tei s GLU 155 Cb -0.18 -4.06 0.07 0.00 -1.78 0.00 0.00 34.13 28.18 1tei s GLU 155 CO -0.01 -1.06 1.65 -0.07 -0.49 0.00 0.00 175.26 175.28 1tei h LEU 156 N 9.29 1.05 -9.53 1.80 3.38 -1.72 -0.11 115.31 119.47 1tei h LEU 156 Ca -0.27 -0.29 -0.57 0.00 0.09 0.00 0.00 57.88 56.83 1tei h LEU 156 Cb 1.10 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.47 1tei h LEU 156 CO 0.89 1.08 -0.65 0.42 0.09 0.00 0.00 178.44 180.28 1tei s THR 157 N -5.09 3.00 0.10 0.22 -4.23 -1.26 -2.49 115.64 105.90 1tei s THR 157 Ca -0.12 -2.00 -0.32 0.00 -1.18 0.00 0.00 61.69 58.08 1tei s THR 157 Cb 0.14 -2.75 -0.11 0.00 1.34 0.00 0.00 72.50 71.12 1tei s THR 157 CO 0.85 -0.31 1.83 -1.14 -0.54 0.00 0.00 174.62 175.31 1tei n ARG 158 N -0.89 2.69 -4.69 3.99 0.63 -1.26 -4.80 116.66 112.33 1tei n ARG 158 Ca -0.05 0.98 -0.25 0.00 -0.92 0.00 0.00 57.85 57.61 1tei n ARG 158 Cb 0.60 -2.86 -0.16 0.00 0.45 0.00 0.00 32.46 30.49 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 2.77 1.24 0.82 5.15 1.01 -1.26 -1.50 120.40 128.63 1tei s VAL 159 Ca 0.83 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 62.11 1tei s VAL 159 Cb -0.51 -1.10 0.08 0.00 0.00 0.00 0.00 36.38 34.85 1tei s VAL 159 CO 0.39 0.37 1.09 -0.94 0.00 0.00 0.00 175.10 176.01 1tei s SER 160 N 0.33 4.27 0.36 3.32 1.04 0.56 -4.90 113.70 118.67 1tei s SER 160 Ca -0.09 1.43 0.10 0.00 0.48 0.00 0.00 55.95 57.87 1tei s SER 160 Cb -0.13 -2.16 0.84 0.00 0.10 0.00 0.00 66.02 64.67 1tei s SER 160 CO 0.03 -2.13 1.87 0.77 0.98 0.00 0.00 173.24 174.76 1tei h SER 161 N -1.20 0.63 0.12 7.02 4.64 -2.01 0.13 113.55 122.88 1tei h SER 161 Ca -0.47 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1tei h SER 161 Cb 1.26 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1tei h SER 161 CO 0.57 0.32 0.00 -0.46 -0.87 0.00 0.00 176.83 176.39 1tei n ASN 162 N -4.56 0.00 0.00 4.97 0.23 -1.26 -4.90 115.26 109.74 1tei n ASN 162 Ca 0.17 -0.58 0.00 0.00 -0.53 0.00 0.00 54.58 53.64 1tei n ASN 162 Cb 0.48 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 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 0.59 2.15 3.78 4.83 0.00 0.45 -5.08 105.19 111.89 1tei n GLY 163 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.39 7.07 0.34 1.61 1.04 -1.26 -4.69 113.70 116.43 1tei s SER 164 Ca 0.00 2.01 -0.26 0.00 0.48 0.00 0.00 55.95 58.18 1tei s SER 164 Cb 0.00 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 63.43 1tei s SER 164 CO 0.00 -0.27 1.01 -2.16 0.98 0.00 0.00 173.24 172.80 1tei s PRO 165 N -2.11 4.46 0.14 4.02 0.04 -1.26 -0.33 135.00 139.96 1tei s PRO 165 Ca 0.52 1.50 0.02 0.00 0.04 0.00 0.00 61.00 63.08 1tei s PRO 165 Cb -0.23 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 1tei s PRO 165 CO 0.29 0.13 0.27 -0.65 0.04 0.00 0.00 177.00 177.08 1tei s GLN 166 N -2.04 3.43 0.79 4.56 -1.52 -0.56 -4.80 119.66 119.51 1tei s GLN 166 Ca 0.51 -0.58 -0.05 0.00 -1.95 0.00 0.00 55.36 53.29 1tei s GLN 166 Cb -0.23 -2.97 0.14 0.00 -0.22 0.00 0.00 33.01 29.73 1tei s GLN 166 CO 0.29 0.53 1.09 0.20 -0.25 0.00 0.00 175.29 177.15 1tei s GLY 167 N -3.13 1.76 -1.25 3.09 0.00 -1.26 -4.50 107.32 102.03 1tei s GLY 167 Ca 0.35 -1.53 -0.26 0.00 0.00 0.00 0.00 44.72 43.27 1tei s GLY 167 CO 0.28 -0.91 0.61 1.44 0.00 0.00 0.00 173.10 174.52 1tei n SER 168 N -3.10 -3.55 -4.13 1.64 7.64 -0.21 -4.87 113.62 107.03 1tei n SER 168 Ca 0.15 -1.23 -0.20 0.00 1.01 0.00 0.00 58.87 58.60 1tei n SER 168 Cb 0.60 -2.06 -0.13 0.00 -1.01 0.00 0.00 64.21 61.61 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 -3.67 1.60 -0.01 6.43 0.15 -1.16 -4.95 113.70 112.09 1tei s SER 169 Ca 0.41 -0.45 -0.01 0.00 0.70 0.00 0.00 55.95 56.60 1tei s SER 169 Cb -0.21 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 1tei s SER 169 CO 0.95 0.03 0.03 0.68 1.20 0.00 0.00 173.24 176.13 1tei s VAL 170 N -0.84 0.01 -0.03 4.45 -7.23 -1.26 -1.01 120.40 114.48 1tei s VAL 170 Ca 0.01 -0.10 -0.29 0.00 -1.81 0.00 0.00 61.98 59.79 1tei s VAL 170 Cb -0.08 -0.08 0.07 0.00 0.56 0.00 0.00 36.38 36.85 1tei s VAL 170 CO 0.01 -0.05 0.65 -0.83 -0.31 0.00 0.00 175.10 174.56 1tei s GLY 171 N -0.15 -0.55 0.09 2.32 0.00 -0.96 0.43 107.32 108.50 1tei s GLY 171 Ca -0.02 1.18 -0.09 0.00 0.00 0.00 0.00 44.72 45.80 1tei s GLY 171 CO -0.00 0.84 0.19 0.50 0.00 0.00 0.00 173.10 174.63 1tei s ARG 172 N -1.38 0.84 -0.07 2.90 0.52 -0.65 -1.78 118.95 119.32 1tei s ARG 172 Ca -0.10 -0.94 -0.03 0.00 -0.52 0.00 0.00 55.73 54.13 1tei s ARG 172 Cb -0.00 0.34 0.04 0.00 0.52 0.00 0.00 34.95 35.85 1tei s ARG 172 CO 0.08 -0.27 0.14 0.00 0.02 0.00 0.00 175.30 175.28 1tei s ALA 173 N -3.80 -0.13 -0.00 2.13 0.00 -0.40 -1.01 121.76 118.54 1tei s ALA 173 Ca 0.04 0.53 0.08 0.00 0.00 0.00 0.00 51.96 52.62 1tei s ALA 173 Cb 0.05 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1tei s ALA 173 CO -0.11 -0.46 -0.25 -0.51 0.00 0.00 0.00 175.76 174.44 1tei s LEU 174 N 2.02 2.18 0.21 0.00 1.02 -0.59 -0.91 118.68 122.61 1tei s LEU 174 Ca 0.00 -0.47 -0.30 0.00 0.02 0.00 0.00 54.13 53.38 1tei s LEU 174 Cb -0.12 -1.36 -0.09 0.00 0.02 0.00 0.00 46.19 44.64 1tei s LEU 174 CO -0.05 0.30 1.38 0.12 0.02 0.00 0.00 176.35 178.12 1tei s PHE 175 N -0.69 3.14 0.17 0.29 5.36 -0.71 -0.61 117.98 124.94 1tei s PHE 175 Ca 0.11 1.09 -0.20 0.00 -0.96 0.00 0.00 56.93 56.97 1tei s PHE 175 Cb -0.10 -3.72 0.10 0.00 -0.34 0.00 0.00 43.02 38.96 1tei s PHE 175 CO 0.00 -2.33 1.61 -0.92 -1.46 0.00 0.00 175.22 172.13 1tei h TYR 176 N 5.37 -0.69 -3.70 10.12 3.20 -1.31 -3.43 116.97 126.52 1tei h TYR 176 Ca -0.45 0.05 -0.51 0.00 3.14 0.00 0.00 58.73 60.97 1tei h TYR 176 Cb 1.21 0.37 0.01 0.00 1.54 0.00 0.00 36.73 39.86 1tei h TYR 176 CO 0.61 -0.34 0.46 0.00 -1.64 0.00 0.00 178.16 177.26 1tei s ALA 177 N -6.08 3.39 0.60 1.82 0.00 -1.26 -5.02 121.76 115.21 1tei s ALA 177 Ca -0.15 0.84 -0.18 0.00 0.00 0.00 0.00 51.96 52.47 1tei s ALA 177 Cb 0.15 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 1tei s ALA 177 CO 0.69 -0.14 1.19 -2.14 0.00 0.00 0.00 175.76 175.36 1tei s PRO 178 N -0.96 2.94 -0.10 0.00 0.02 -1.26 -4.82 135.00 130.82 1tei s PRO 178 Ca 0.46 1.75 0.02 0.00 0.02 0.00 0.00 61.00 63.26 1tei s PRO 178 Cb -0.30 -1.93 -0.01 0.00 0.02 0.00 0.00 34.50 32.27 1tei s PRO 178 CO 0.38 -1.21 -0.17 0.08 -0.33 0.00 0.00 177.00 175.74 1tei s VAL 179 N -1.72 2.69 -0.95 3.83 1.01 0.12 -4.94 120.40 120.45 1tei s VAL 179 Ca 0.76 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.73 1tei s VAL 179 Cb -0.28 -2.08 0.12 0.00 0.00 0.00 0.00 36.38 34.13 1tei s VAL 179 CO 0.34 0.55 1.20 -2.28 0.00 0.00 0.00 175.10 174.91 1tei s HIS 180 N 0.07 3.01 0.32 5.22 2.46 -1.26 -0.97 115.29 124.14 1tei s HIS 180 Ca -0.07 -1.29 0.09 0.00 0.47 0.00 0.00 55.06 54.25 1tei s HIS 180 Cb -0.15 -4.37 0.55 0.00 -0.13 0.00 0.00 32.58 28.48 1tei s HIS 180 CO 0.05 -1.58 1.75 0.97 -2.47 0.00 0.00 174.74 173.46 1tei h ILE 181 N 6.01 1.29 -3.40 0.89 6.09 -1.67 -3.47 117.51 123.25 1tei h ILE 181 Ca 0.17 -1.42 -0.02 0.00 -1.37 0.00 0.00 64.86 62.21 1tei h ILE 181 Cb 1.02 1.67 -0.09 0.00 0.47 0.00 0.00 36.82 39.89 1tei h ILE 181 CO 1.17 0.42 -0.01 -1.66 -3.07 0.00 0.00 178.15 175.01 1tei s TRP 182 N -4.18 0.05 -0.27 2.19 1.48 -1.22 -4.80 118.94 112.20 1tei s TRP 182 Ca -0.04 -0.42 -0.23 0.00 -1.06 0.00 0.00 56.10 54.35 1tei s TRP 182 Cb 0.14 0.35 0.07 0.00 -1.16 0.00 0.00 33.47 32.87 1tei s TRP 182 CO 0.75 -0.98 0.71 -2.00 -4.06 0.00 0.00 176.95 171.37 1tei s GLU 183 N -3.93 0.81 0.53 3.25 2.12 -1.26 -4.79 118.70 115.42 1tei s GLU 183 Ca 0.14 1.03 0.20 0.00 0.36 0.00 0.00 54.97 56.70 1tei s GLU 183 Cb -0.01 0.36 1.35 0.00 0.26 0.00 0.00 34.13 36.08 1tei s GLU 183 CO 0.02 -0.11 2.09 0.66 -0.54 0.00 0.00 175.26 177.38 1tei h SER 184 N 5.36 0.00 -0.40 -1.70 4.64 -2.02 -2.29 113.55 117.14 1tei h SER 184 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1tei h SER 184 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1tei h SER 184 CO 0.08 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.84 1tei n SER 185 N -4.43 3.36 -4.68 4.97 7.64 -1.26 -4.91 113.62 114.30 1tei n SER 185 Ca 0.02 -2.35 -0.38 0.00 1.01 0.00 0.00 58.87 57.17 1tei n SER 185 Cb 0.31 -0.49 -0.07 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.81 3.53 0.08 -0.43 0.00 -0.86 -3.74 121.76 118.52 1tei s ALA 186 Ca 0.33 -0.36 -0.17 0.00 0.00 0.00 0.00 51.96 51.76 1tei s ALA 186 Cb 0.22 -2.71 -0.10 0.00 0.00 0.00 0.00 23.12 20.52 1tei s ALA 186 CO 0.14 -0.25 1.40 0.28 0.00 0.00 0.00 175.76 177.33 1tei h VAL 187 N 4.96 1.32 -3.33 0.00 2.07 0.30 -3.45 116.25 118.11 1tei h VAL 187 Ca -0.37 -1.37 -0.20 0.00 0.82 0.00 0.00 66.70 65.58 1tei h VAL 187 Cb 1.16 1.67 -0.27 0.00 -1.52 0.00 0.00 31.29 32.33 1tei h VAL 187 CO 0.74 0.43 -0.55 -0.69 0.02 0.00 0.00 177.57 177.52 1tei s VAL 188 N -4.37 -0.01 -0.01 2.57 1.01 -1.18 -4.88 120.40 113.53 1tei s VAL 188 Ca -0.13 0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1tei s VAL 188 Cb 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.23 1tei s VAL 188 CO 0.80 0.01 -0.04 0.00 0.00 0.00 0.00 175.10 175.87 1tei s ALA 189 N 0.30 0.35 0.13 5.51 0.00 -1.26 -0.32 121.76 126.47 1tei s ALA 189 Ca -0.02 -0.14 -0.23 0.00 0.00 0.00 0.00 51.96 51.57 1tei s ALA 189 Cb -0.03 -0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.03 1tei s ALA 189 CO -0.01 0.07 0.58 -1.54 0.00 0.00 0.00 175.76 174.85 1tei s SER 190 N 0.04 -0.53 0.11 0.00 1.04 -0.36 -0.42 113.70 113.58 1tei s SER 190 Ca 0.00 0.04 -0.10 0.00 0.48 0.00 0.00 55.95 56.37 1tei s SER 190 Cb -0.03 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1tei s SER 190 CO -0.00 -0.91 0.25 0.72 0.98 0.00 0.00 173.24 174.28 1tei s PHE 191 N -3.44 0.16 -0.17 5.02 -0.12 -0.73 -0.68 117.98 118.02 1tei s PHE 191 Ca -0.00 -0.56 -0.12 0.00 -0.05 0.00 0.00 56.93 56.20 1tei s PHE 191 Cb -0.01 -0.01 0.05 0.00 -0.63 0.00 0.00 43.02 42.43 1tei s PHE 191 CO -0.10 -0.62 0.43 -2.00 -0.05 0.00 0.00 175.22 172.88 1tei s GLU 192 N -3.88 0.44 0.05 1.99 2.12 0.19 -2.03 118.70 117.59 1tei s GLU 192 Ca 0.08 0.74 0.05 0.00 0.36 0.00 0.00 54.97 56.20 1tei s GLU 192 Cb 0.04 0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.48 1tei s GLU 192 CO -0.08 -0.12 -0.14 0.00 -0.54 0.00 0.00 175.26 174.37 1tei s ALA 193 N 0.99 1.20 -0.09 6.30 0.00 -0.03 -0.67 121.76 129.46 1tei s ALA 193 Ca -0.06 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 1tei s ALA 193 Cb -0.06 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1tei s ALA 193 CO -0.08 0.21 0.24 0.99 0.00 0.00 0.00 175.76 177.12 1tei s THR 194 N -0.99 -0.00 -0.08 0.00 2.01 -0.34 -0.71 115.64 115.53 1tei s THR 194 Ca 0.01 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.74 1tei s THR 194 Cb -0.09 -0.34 0.06 0.00 0.01 0.00 0.00 72.50 72.14 1tei s THR 194 CO 0.02 0.00 0.61 0.72 -0.69 0.00 0.00 174.62 175.27 1tei s PHE 195 N 0.14 -0.58 -0.09 4.92 -0.71 -0.71 -0.48 117.98 120.46 1tei s PHE 195 Ca -0.00 1.09 0.01 0.00 -1.04 0.00 0.00 56.93 56.99 1tei s PHE 195 Cb -0.02 0.32 -0.02 0.00 -1.21 0.00 0.00 43.02 42.09 1tei s PHE 195 CO 0.00 -0.52 -0.12 0.95 -1.34 0.00 0.00 175.22 174.19 1tei s THR 196 N -0.92 3.18 0.27 -4.49 -4.23 -0.83 -0.41 115.64 108.21 1tei s THR 196 Ca -0.09 -0.65 0.05 0.00 -1.18 0.00 0.00 61.69 59.81 1tei s THR 196 Cb -0.02 -2.30 -0.06 0.00 1.34 0.00 0.00 72.50 71.47 1tei s THR 196 CO 0.07 0.56 -0.00 0.72 -0.54 0.00 0.00 174.62 175.43 1tei s PHE 197 N -0.21 1.80 -0.24 3.99 -0.71 -0.88 -0.31 117.98 121.42 1tei s PHE 197 Ca 0.01 -0.86 -0.04 0.00 -1.04 0.00 0.00 56.93 54.99 1tei s PHE 197 Cb -0.13 -1.08 0.08 0.00 -1.21 0.00 0.00 43.02 40.68 1tei s PHE 197 CO 0.03 0.07 0.10 -1.17 -1.34 0.00 0.00 175.22 172.92 1tei s LEU 198 N -3.40 0.62 -0.35 -1.99 2.96 0.08 -0.73 118.68 115.87 1tei s LEU 198 Ca 0.31 -1.00 -0.11 0.00 -0.22 0.00 0.00 54.13 53.11 1tei s LEU 198 Cb 0.06 -0.36 0.00 0.00 0.50 0.00 0.00 46.19 46.40 1tei s LEU 198 CO 0.12 -0.39 0.20 -0.63 -1.32 0.00 0.00 176.35 174.33 1tei s ILE 199 N 2.07 4.81 -0.06 6.68 1.01 -1.26 -2.74 121.20 131.71 1tei s ILE 199 Ca 0.05 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.23 1tei s ILE 199 Cb -0.16 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 1tei s ILE 199 CO -0.23 -0.07 -0.22 -0.75 0.00 0.00 0.00 174.94 173.67 1tei s LYS 200 N 1.63 2.38 -0.06 2.79 2.20 -1.24 -0.78 119.74 126.66 1tei s LYS 200 Ca 0.04 -0.79 -0.02 0.00 -0.36 0.00 0.00 55.97 54.83 1tei s LYS 200 Cb -0.18 -1.98 0.04 0.00 -1.51 0.00 0.00 37.83 34.20 1tei s LYS 200 CO 0.08 0.29 0.11 0.45 -0.36 0.00 0.00 175.35 175.91 1tei s SER 201 N 0.02 0.55 0.20 1.43 0.15 -1.26 -0.37 113.70 114.41 1tei s SER 201 Ca -0.07 0.20 0.04 0.00 0.70 0.00 0.00 55.95 56.83 1tei s SER 201 Cb -0.14 0.08 0.10 0.00 -1.71 0.00 0.00 66.02 64.35 1tei s SER 201 CO 0.04 -0.20 1.46 -0.65 1.20 0.00 0.00 173.24 175.08 1tei h PRO 202 N 7.95 0.18 -7.33 5.44 0.11 -1.98 -3.46 132.00 132.90 1tei h PRO 202 Ca -0.25 -0.16 -0.48 0.00 0.11 0.00 0.00 66.00 65.21 1tei h PRO 202 Cb 1.12 0.04 0.07 0.00 0.11 0.00 0.00 31.00 32.34 1tei h PRO 202 CO 0.27 0.86 0.30 0.16 -0.21 0.00 0.00 178.00 179.38 1tei s ASP 203 N -6.90 5.36 0.00 -2.05 -4.77 -1.26 -5.04 116.67 102.01 1tei s ASP 203 Ca -0.03 0.87 0.00 0.00 -3.30 0.00 0.00 52.55 50.09 1tei s ASP 203 Cb 0.11 -1.71 0.00 0.00 -1.09 0.00 0.00 42.92 40.23 1tei s ASP 203 CO 0.81 -1.30 0.50 -1.20 0.70 0.00 0.00 175.17 174.68 1tei n SER 204 N -2.86 0.00 -4.29 2.11 7.64 -1.26 -4.39 113.62 110.58 1tei n SER 204 Ca 0.06 0.50 -0.34 0.00 1.01 0.00 0.00 58.87 60.10 1tei n SER 204 Cb 0.58 -0.11 -0.14 0.00 -1.01 0.00 0.00 64.21 63.52 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 -1.59 2.88 0.89 1.43 3.76 -1.26 -5.12 115.29 116.28 1tei s HIS 205 Ca 0.00 -1.00 -0.11 0.00 -0.15 0.00 0.00 55.06 53.80 1tei s HIS 205 Cb 0.00 -2.00 0.13 0.00 1.11 0.00 0.00 32.58 31.82 1tei s HIS 205 CO 0.00 -0.51 1.10 -2.14 -0.85 0.00 0.00 174.74 172.34 1tei s PRO 206 N 1.14 1.29 -0.14 8.40 0.02 -1.26 -4.72 135.00 139.73 1tei s PRO 206 Ca 0.01 1.18 -0.30 0.00 0.02 0.00 0.00 61.00 61.91 1tei s PRO 206 Cb -0.14 -1.79 0.12 0.00 0.02 0.00 0.00 34.50 32.72 1tei s PRO 206 CO -0.03 -2.32 0.99 0.00 -0.33 0.00 0.00 177.00 175.31 1tei s ALA 207 N -2.78 -1.93 -0.05 -1.55 0.00 -1.21 -3.95 121.76 110.29 1tei s ALA 207 Ca 0.64 1.51 0.10 0.00 0.00 0.00 0.00 51.96 54.21 1tei s ALA 207 Cb -0.20 -0.54 -0.14 0.00 0.00 0.00 0.00 23.12 22.24 1tei s ALA 207 CO 0.58 -0.37 0.14 -0.25 0.00 0.00 0.00 175.76 175.86 1tei n ASP 208 N 0.56 2.59 0.00 0.00 9.92 0.61 -2.89 116.55 127.33 1tei n ASP 208 Ca -0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 1tei n ASP 208 Cb 0.58 1.15 0.00 0.00 -0.64 0.00 0.00 41.12 42.21 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 2.12 1.03 3.28 0.44 0.00 -1.21 -2.40 105.19 108.45 1tei n GLY 209 Ca -0.08 -1.71 -0.20 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.48 1.56 -0.14 -0.61 1.01 -0.79 -2.81 121.20 117.93 1tei s ILE 210 Ca 0.00 -1.77 -0.13 0.00 0.00 0.00 0.00 60.65 58.76 1tei s ILE 210 Cb 0.00 -1.64 0.04 0.00 0.01 0.00 0.00 42.46 40.87 1tei s ILE 210 CO 0.00 -0.33 0.38 0.00 0.00 0.00 0.00 174.94 174.99 1tei s ALA 211 N -1.98 -0.94 -0.14 9.38 0.00 0.94 0.24 121.76 129.27 1tei s ALA 211 Ca 0.11 1.12 -0.10 0.00 0.00 0.00 0.00 51.96 53.09 1tei s ALA 211 Cb -0.06 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 1tei s ALA 211 CO 0.05 -0.19 0.20 0.12 0.00 0.00 0.00 175.76 175.94 1tei s PHE 212 N 0.35 3.53 0.09 0.00 5.36 -0.13 -0.35 117.98 126.84 1tei s PHE 212 Ca -0.01 0.54 -0.03 0.00 -0.96 0.00 0.00 56.93 56.47 1tei s PHE 212 Cb -0.03 -2.12 -0.03 0.00 -0.34 0.00 0.00 43.02 40.49 1tei s PHE 212 CO -0.01 0.50 0.07 -0.59 -1.46 0.00 0.00 175.22 173.73 1tei s PHE 213 N -0.35 0.52 -0.04 10.12 -0.71 0.29 -0.82 117.98 126.98 1tei s PHE 213 Ca 0.14 -0.98 0.04 0.00 -1.04 0.00 0.00 56.93 55.09 1tei s PHE 213 Cb -0.12 -0.31 -0.00 0.00 -1.21 0.00 0.00 43.02 41.37 1tei s PHE 213 CO 0.03 -0.48 -0.15 0.42 -1.34 0.00 0.00 175.22 173.70 1tei s ILE 214 N -3.94 1.30 0.34 -4.49 1.01 0.05 -0.40 121.20 115.07 1tei s ILE 214 Ca 0.12 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 1tei s ILE 214 Cb 0.07 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.42 1tei s ILE 214 CO -0.06 0.38 0.50 -0.94 0.00 0.00 0.00 174.94 174.81 1tei s SER 215 N 0.13 0.82 0.52 3.58 1.04 0.15 -2.21 113.70 117.73 1tei s SER 215 Ca -0.05 -1.44 -0.21 0.00 0.48 0.00 0.00 55.95 54.72 1tei s SER 215 Cb -0.11 0.68 -0.06 0.00 0.10 0.00 0.00 66.02 66.63 1tei s SER 215 CO 0.02 -1.32 1.23 0.54 0.98 0.00 0.00 173.24 174.69 1tei s ASN 216 N -3.22 5.64 0.28 7.02 4.22 -1.23 -0.37 114.94 127.27 1tei s ASN 216 Ca 0.29 2.47 -0.00 0.00 -2.14 0.00 0.00 52.86 53.47 1tei s ASN 216 Cb -0.01 -2.61 0.65 0.00 1.28 0.00 0.00 41.25 40.56 1tei s ASN 216 CO 0.19 -1.30 1.62 0.40 -2.04 0.00 0.00 177.10 175.98 1tei h ILE 217 N 1.48 0.24 -0.22 0.54 2.04 -1.85 -2.40 117.51 117.35 1tei h ILE 217 Ca -0.50 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1tei h ILE 217 Cb 1.28 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1tei h ILE 217 CO 0.58 0.02 0.00 -0.90 0.00 0.00 0.00 178.15 177.85 1tei n ASP 218 N -5.33 2.79 -4.75 1.72 5.75 -1.26 -4.83 116.55 110.65 1tei n ASP 218 Ca 0.20 -2.35 -0.37 0.00 -0.01 0.00 0.00 54.79 52.26 1tei n ASP 218 Cb 0.65 -0.57 0.04 0.00 -1.03 0.00 0.00 41.12 40.21 1tei n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1tei s SER 219 N -0.29 5.05 0.13 -1.12 0.15 -0.90 -5.04 113.70 111.67 1tei s SER 219 Ca 0.21 2.50 -0.14 0.00 0.70 0.00 0.00 55.95 59.22 1tei s SER 219 Cb 0.16 -2.61 0.02 0.00 -1.71 0.00 0.00 66.02 61.88 1tei s SER 219 CO 0.06 -1.70 0.36 -0.94 1.20 0.00 0.00 173.24 172.22 1tei s SER 220 N -1.45 -0.15 0.10 5.45 1.04 -1.26 -5.08 113.70 112.35 1tei s SER 220 Ca 0.78 -0.43 -0.31 0.00 0.48 0.00 0.00 55.95 56.47 1tei s SER 220 Cb -0.34 0.45 -0.10 0.00 0.10 0.00 0.00 66.02 66.14 1tei s SER 220 CO 0.37 -0.85 1.87 -0.63 0.98 0.00 0.00 173.24 174.98 1tei s ILE 221 N -3.83 2.68 0.26 -1.02 1.01 -1.26 -4.96 121.20 114.08 1tei s ILE 221 Ca 0.05 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 1tei s ILE 221 Cb 0.02 -3.03 -0.10 0.00 0.01 0.00 0.00 42.46 39.37 1tei s ILE 221 CO -0.10 -0.00 1.32 -2.84 0.00 0.00 0.00 174.94 173.31 1tei s PRO 222 N 3.24 4.38 0.25 2.79 0.02 -1.26 -4.93 135.00 139.49 1tei s PRO 222 Ca 0.83 2.13 -0.31 0.00 0.02 0.00 0.00 61.00 63.67 1tei s PRO 222 Cb -0.45 -3.14 -0.13 0.00 0.02 0.00 0.00 34.50 30.80 1tei s PRO 222 CO 0.38 -0.23 1.43 0.43 -0.33 0.00 0.00 177.00 178.69 1tei n SER 223 N 1.87 2.92 -1.84 2.53 7.64 -1.26 -2.11 113.62 123.37 1tei n SER 223 Ca 0.04 1.14 -0.15 0.00 1.01 0.00 0.00 58.87 60.91 1tei n SER 223 Cb 0.42 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 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 2.14 -0.24 2.12 0.23 0.00 -1.26 -4.90 105.19 103.28 1tei n GLY 224 Ca 0.11 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.99 5.04 -4.35 1.61 3.41 -0.90 -4.93 113.62 112.51 1tei n SER 225 Ca -0.16 -3.46 -0.30 0.00 -0.26 0.00 0.00 58.87 54.69 1tei n SER 225 Cb 0.63 -0.87 0.16 0.00 -0.26 0.00 0.00 64.21 63.87 1tei n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1tei s THR 226 N -3.33 1.98 0.00 6.66 -4.23 -1.26 -0.22 115.64 115.24 1tei s THR 226 Ca 0.52 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 1tei s THR 226 Cb 0.42 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 71.29 1tei s THR 226 CO 0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1tei n GLY 227 N -3.46 2.87 0.21 3.99 0.00 0.07 -3.20 105.19 105.67 1tei n GLY 227 Ca 0.13 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.84 1tei n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1tei h ARG 228 N 0.00 0.00 -0.01 1.61 0.11 -1.89 -1.52 114.38 112.68 1tei h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1tei h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1tei h ARG 228 CO 0.00 0.00 -0.16 1.28 0.10 0.00 0.00 179.97 181.19 1tei n LEU 229 N -2.25 0.67 -2.10 0.08 4.77 -1.19 -4.96 117.00 112.02 1tei n LEU 229 Ca -0.01 -0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.79 1tei n LEU 229 Cb 0.42 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1tei n LEU 229 CO 0.07 0.12 -0.11 0.18 -1.33 0.00 0.00 177.39 176.32 1tei n LEU 230 N -0.84 -0.84 -0.89 2.23 4.77 -0.57 -1.45 117.00 119.40 1tei n LEU 230 Ca 0.14 0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 56.25 1tei n LEU 230 Cb 0.30 -1.81 -0.05 0.00 -2.33 0.00 0.00 43.42 39.53 1tei n LEU 230 CO 0.24 -0.22 -0.11 0.61 -1.33 0.00 0.00 177.39 176.58 1tei n GLY 231 N -0.57 1.21 0.02 -0.72 0.00 0.69 -4.11 105.19 101.72 1tei n GLY 231 Ca -0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.33 2.64 -4.56 0.99 4.77 -0.53 -4.51 117.00 114.47 1tei n LEU 232 Ca -0.12 -0.02 -0.32 0.00 -0.03 0.00 0.00 56.01 55.52 1tei n LEU 232 Cb 0.48 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.33 1tei n LEU 232 CO 0.18 0.52 -0.41 -0.36 -1.33 0.00 0.00 177.39 175.99 1tei s PHE 233 N -2.09 2.81 0.23 -1.77 0.08 -1.07 -4.81 117.98 111.36 1tei s PHE 233 Ca -0.06 -0.09 0.04 0.00 0.12 0.00 0.00 56.93 56.95 1tei s PHE 233 Cb 0.02 -1.58 0.23 0.00 -0.57 0.00 0.00 43.02 41.11 1tei s PHE 233 CO 0.11 0.34 1.54 -1.00 -0.10 0.00 0.00 175.22 176.11 1tei h PRO 234 N 4.58 0.24 -4.42 0.24 0.13 -1.92 -3.43 132.00 127.41 1tei h PRO 234 Ca -0.48 -0.17 -0.28 0.00 -0.87 0.00 0.00 66.00 64.20 1tei h PRO 234 Cb 1.16 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 1tei h PRO 234 CO 0.52 0.79 -0.41 0.16 -0.23 0.00 0.00 178.00 178.83 1tei s ASP 235 N -6.90 0.68 -0.38 1.44 1.47 -1.26 -4.93 116.67 106.79 1tei s ASP 235 Ca -0.04 -1.44 0.03 0.00 1.18 0.00 0.00 52.55 52.28 1tei s ASP 235 Cb 0.12 0.52 0.55 0.00 -0.34 0.00 0.00 42.92 43.77 1tei s ASP 235 CO 0.80 -1.05 1.77 0.00 0.68 0.00 0.00 175.17 177.38 1tei n ALA 236 N -0.45 5.12 1.66 2.11 0.00 -1.26 -4.73 120.51 122.97 1tei n ALA 236 Ca 0.03 -2.43 0.15 0.00 0.00 0.00 0.00 53.44 51.18 1tei n ALA 236 Cb 0.63 -1.38 0.66 0.00 0.00 0.00 0.00 19.45 19.36 1tei n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59