#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 6.33 -0.24 0.00 1.01 -1.26 -5.05 116.67 117.46 1tei s ASP 2 Ca 0.00 1.62 -0.06 0.00 0.71 0.00 0.00 52.55 54.82 1tei s ASP 2 Cb 0.00 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 1tei s ASP 2 CO 0.00 -0.79 0.04 -0.89 0.21 0.00 0.00 175.17 173.73 1tei s THR 3 N -2.65 4.06 -0.04 -1.27 2.01 -1.26 -5.04 115.64 111.45 1tei s THR 3 Ca 0.60 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.39 1tei s THR 3 Cb -0.12 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.50 1tei s THR 3 CO 0.36 0.37 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.83 1tei s ILE 4 N 1.48 1.62 -0.11 1.82 -1.09 -1.26 -3.51 121.20 120.15 1tei s ILE 4 Ca 0.06 -0.84 -0.01 0.00 -2.23 0.00 0.00 60.65 57.63 1tei s ILE 4 Cb -0.15 -1.37 0.03 0.00 -1.58 0.00 0.00 42.46 39.39 1tei s ILE 4 CO 0.02 0.46 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.46 1tei s VAL 5 N -0.17 0.79 0.11 2.92 1.01 -0.87 -0.19 120.40 124.01 1tei s VAL 5 Ca -0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 1tei s VAL 5 Cb -0.11 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1tei s VAL 5 CO 0.02 0.27 0.10 0.00 0.00 0.00 0.00 175.10 175.48 1tei s ALA 6 N 1.79 0.40 -0.24 5.51 0.00 -0.50 -0.68 121.76 128.04 1tei s ALA 6 Ca 0.04 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1tei s ALA 6 Cb -0.13 0.63 0.06 0.00 0.00 0.00 0.00 23.12 23.68 1tei s ALA 6 CO -0.07 -0.49 -0.09 0.08 0.00 0.00 0.00 175.76 175.19 1tei s VAL 7 N -3.96 1.81 -0.06 0.00 1.01 -0.20 -0.61 120.40 118.38 1tei s VAL 7 Ca 0.15 -1.35 -0.04 0.00 0.00 0.00 0.00 61.98 60.73 1tei s VAL 7 Cb 0.06 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1tei s VAL 7 CO -0.04 -0.02 0.13 -1.83 0.00 0.00 0.00 175.10 173.34 1tei s GLU 8 N 1.28 3.35 -0.84 2.72 -1.05 -0.00 -1.31 118.70 122.84 1tei s GLU 8 Ca -0.06 -0.27 -0.02 0.00 -0.15 0.00 0.00 54.97 54.47 1tei s GLU 8 Cb -0.19 -3.08 0.21 0.00 -0.44 0.00 0.00 34.13 30.63 1tei s GLU 8 CO -0.06 0.72 0.71 -0.51 0.95 0.00 0.00 175.26 177.07 1tei s LEU 9 N -1.41 5.48 -0.47 1.83 1.02 0.11 -0.99 118.68 124.26 1tei s LEU 9 Ca 0.20 -3.56 -0.29 0.00 0.02 0.00 0.00 54.13 50.50 1tei s LEU 9 Cb -0.12 -1.89 0.03 0.00 0.02 0.00 0.00 46.19 44.22 1tei s LEU 9 CO 0.10 -0.22 1.18 -0.62 0.02 0.00 0.00 176.35 176.82 1tei s ASP 10 N -0.02 6.58 0.23 2.29 -1.08 -0.13 -1.62 116.67 122.92 1tei s ASP 10 Ca 0.25 0.51 0.22 0.00 -0.52 0.00 0.00 52.55 53.01 1tei s ASP 10 Cb -0.09 -2.55 0.03 0.00 -1.46 0.00 0.00 42.92 38.85 1tei s ASP 10 CO -0.11 -1.29 1.10 0.71 0.52 0.00 0.00 175.17 176.10 1tei h THR 11 N 6.27 0.01 -3.11 1.71 1.35 -1.68 -1.59 112.91 115.87 1tei h THR 11 Ca -0.24 -1.02 -0.67 0.00 -0.55 0.00 0.00 66.41 63.93 1tei h THR 11 Cb 1.07 1.56 -0.35 0.00 -1.73 0.00 0.00 68.15 68.71 1tei h THR 11 CO 1.12 0.01 -0.86 -0.47 -0.25 0.00 0.00 175.52 175.07 1tei s TYR 12 N -3.34 2.75 -0.15 4.73 5.04 -1.23 -4.54 117.35 120.61 1tei s TYR 12 Ca 0.00 -1.53 -0.29 0.00 -2.44 0.00 0.00 57.07 52.80 1tei s TYR 12 Cb 0.09 -1.89 -0.01 0.00 0.35 0.00 0.00 41.96 40.50 1tei s TYR 12 CO 0.78 -0.74 1.14 -1.25 -1.34 0.00 0.00 175.55 174.14 1tei s PRO 13 N 1.13 4.29 -0.84 4.97 0.04 -1.26 -4.96 135.00 138.37 1tei s PRO 13 Ca 0.01 1.53 0.01 0.00 0.04 0.00 0.00 61.00 62.59 1tei s PRO 13 Cb -0.14 -3.65 0.23 0.00 0.04 0.00 0.00 34.50 30.98 1tei s PRO 13 CO -0.09 -0.57 0.84 0.09 0.04 0.00 0.00 177.00 177.30 1tei n ASN 14 N 6.00 4.27 -0.28 6.66 4.13 -1.26 -4.93 115.26 129.85 1tei n ASN 14 Ca 0.12 -3.25 0.27 0.00 1.68 0.00 0.00 54.58 53.39 1tei n ASN 14 Cb 0.46 -0.96 0.62 0.00 -1.54 0.00 0.00 39.78 38.36 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 3.80 0.52 -0.50 3.41 1.35 -1.84 -0.99 112.91 118.67 1tei h THR 15 Ca 0.18 -0.07 -0.02 0.00 -0.55 0.00 0.00 66.41 65.95 1tei h THR 15 Cb 0.74 0.30 -0.02 0.00 -1.73 0.00 0.00 68.15 67.43 1tei h THR 15 CO 0.90 0.04 0.24 -2.24 -0.25 0.00 0.00 175.52 174.21 1tei h ASP 16 N 0.21 0.62 -0.56 5.36 2.03 -1.91 -2.34 116.42 119.82 1tei h ASP 16 Ca 0.53 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.78 1tei h ASP 16 Cb 1.69 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 40.04 1tei h ASP 16 CO -0.14 0.53 0.00 2.30 -1.03 0.00 0.00 179.24 180.90 1tei n ILE 17 N -4.38 2.50 0.00 4.15 -5.35 -0.41 -4.91 119.36 110.95 1tei n ILE 17 Ca 0.04 -1.30 0.00 0.00 -0.27 0.00 0.00 62.75 61.22 1tei n ILE 17 Cb 0.12 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 37.79 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 0.67 0.41 3.77 3.28 0.00 -0.88 -4.74 105.19 107.70 1tei n GLY 18 Ca 0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.39 5.56 0.90 1.61 1.11 -1.02 -4.95 116.67 117.49 1tei s ASP 19 Ca 0.00 2.28 -0.12 0.00 0.18 0.00 0.00 52.55 54.89 1tei s ASP 19 Cb 0.00 -2.59 0.13 0.00 1.07 0.00 0.00 42.92 41.53 1tei s ASP 19 CO 0.00 -1.33 1.11 -2.84 1.18 0.00 0.00 175.17 173.29 1tei s PRO 20 N -3.23 1.22 -0.05 8.23 0.02 -1.26 -4.14 135.00 135.79 1tei s PRO 20 Ca 0.74 0.51 0.01 0.00 0.02 0.00 0.00 61.00 62.27 1tei s PRO 20 Cb -0.27 -1.83 0.09 0.00 0.02 0.00 0.00 34.50 32.51 1tei s PRO 20 CO 0.30 -2.19 0.94 -1.13 -0.33 0.00 0.00 177.00 174.59 1tei n SER 21 N -3.80 2.51 -3.69 2.53 3.41 -1.26 -4.57 113.62 108.74 1tei n SER 21 Ca 0.06 -2.17 -0.10 0.00 -0.26 0.00 0.00 58.87 56.40 1tei n SER 21 Cb 0.57 -0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 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 -0.73 -0.11 0.33 7.33 -0.85 -1.26 -4.93 117.35 117.12 1tei s TYR 22 Ca 0.07 -0.23 -0.28 0.00 -0.52 0.00 0.00 57.07 56.11 1tei s TYR 22 Cb 0.06 0.21 -0.13 0.00 0.38 0.00 0.00 41.96 42.48 1tei s TYR 22 CO 0.02 -0.70 1.24 -2.30 -1.52 0.00 0.00 175.55 172.29 1tei n PRO 23 N -0.21 1.98 -4.00 -3.49 -0.02 -1.26 -4.68 135.00 123.32 1tei n PRO 23 Ca -0.15 0.69 -0.12 0.00 -2.02 0.00 0.00 63.50 61.90 1tei n PRO 23 Cb 0.63 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 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 -1.04 0.72 0.03 6.00 -3.43 -0.60 -1.19 115.29 115.78 1tei s HIS 24 Ca 0.57 -1.08 0.07 0.00 -0.80 0.00 0.00 55.06 53.82 1tei s HIS 24 Cb -0.60 0.20 -0.02 0.00 -1.43 0.00 0.00 32.58 30.72 1tei s HIS 24 CO 0.61 -1.23 -0.21 0.96 -2.00 0.00 0.00 174.74 172.87 1tei s ILE 25 N -3.00 1.72 0.16 -5.38 -4.36 -0.90 -0.95 121.20 108.49 1tei s ILE 25 Ca 0.25 -1.17 -0.14 0.00 -0.26 0.00 0.00 60.65 59.33 1tei s ILE 25 Cb -0.02 -1.48 0.02 0.00 1.25 0.00 0.00 42.46 42.23 1tei s ILE 25 CO 0.16 0.27 0.39 -0.83 0.24 0.00 0.00 174.94 175.17 1tei s GLY 26 N -1.08 0.03 -0.31 6.27 0.00 -0.16 -1.93 107.32 110.15 1tei s GLY 26 Ca 0.08 -0.40 -0.07 0.00 0.00 0.00 0.00 44.72 44.33 1tei s GLY 26 CO 0.01 -0.49 0.09 -0.42 0.00 0.00 0.00 173.10 172.30 1tei s ILE 27 N -3.88 3.97 -0.25 0.90 1.01 -0.78 -0.82 121.20 121.35 1tei s ILE 27 Ca 0.09 -0.80 -0.08 0.00 0.00 0.00 0.00 60.65 59.86 1tei s ILE 27 Cb 0.02 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 1tei s ILE 27 CO -0.05 0.00 0.09 -1.81 0.00 0.00 0.00 174.94 173.16 1tei s ASP 28 N 1.48 5.31 -0.43 3.58 1.01 0.22 -0.63 116.67 127.22 1tei s ASP 28 Ca 0.02 -0.15 -0.03 0.00 0.71 0.00 0.00 52.55 53.10 1tei s ASP 28 Cb -0.18 -1.96 0.12 0.00 1.01 0.00 0.00 42.92 41.91 1tei s ASP 28 CO 0.03 -0.01 0.23 -0.63 0.21 0.00 0.00 175.17 175.00 1tei s ILE 29 N 1.49 3.36 -1.16 0.77 -1.09 -1.26 -1.42 121.20 121.89 1tei s ILE 29 Ca 0.06 -2.13 0.00 0.00 -2.23 0.00 0.00 60.65 56.35 1tei s ILE 29 Cb -0.15 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 1tei s ILE 29 CO 0.04 -0.71 0.00 0.29 -1.23 0.00 0.00 174.94 173.33 1tei n LYS 30 N 4.51 -1.45 -3.58 2.79 5.02 0.74 -4.94 118.16 121.25 1tei n LYS 30 Ca -0.02 0.86 -0.16 0.00 -2.02 0.00 0.00 58.31 56.97 1tei n LYS 30 Cb 0.41 -5.14 -0.07 0.00 -0.02 0.00 0.00 35.03 30.21 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 -2.49 -0.64 0.10 4.39 0.15 -1.26 -4.91 113.70 109.05 1tei s SER 31 Ca 0.00 0.86 0.20 0.00 0.70 0.00 0.00 55.95 57.71 1tei s SER 31 Cb 0.00 0.78 0.81 0.00 -1.71 0.00 0.00 66.02 65.89 1tei s SER 31 CO 0.00 -0.48 1.61 0.55 1.20 0.00 0.00 173.24 176.11 1tei n VAL 32 N 1.48 0.84 -2.86 4.45 3.14 -1.26 -4.31 118.33 119.81 1tei n VAL 32 Ca -0.18 0.19 -0.43 0.00 -2.96 0.00 0.00 64.34 60.96 1tei n VAL 32 Cb 0.56 -0.99 -0.03 0.00 -1.06 0.00 0.00 33.84 32.32 1tei n VAL 32 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1tei s ARG 33 N -3.12 3.43 0.16 1.45 0.52 -1.26 -4.98 118.95 115.15 1tei s ARG 33 Ca 0.07 -1.35 -0.32 0.00 -0.52 0.00 0.00 55.73 53.61 1tei s ARG 33 Cb 0.10 -4.73 -0.17 0.00 0.52 0.00 0.00 34.95 30.68 1tei s ARG 33 CO 0.35 -1.84 0.85 0.43 0.02 0.00 0.00 175.30 175.10 1tei n SER 34 N 7.25 -0.07 0.14 0.23 7.64 -1.26 -4.79 113.62 122.76 1tei n SER 34 Ca 0.15 1.15 0.13 0.00 1.01 0.00 0.00 58.87 61.31 1tei n SER 34 Cb 0.48 -1.05 0.38 0.00 -1.01 0.00 0.00 64.21 63.02 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 2.11 0.00 -1.77 1.43 1.79 -1.22 -3.45 116.57 115.45 1tei h LYS 35 Ca -0.38 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.11 1tei h LYS 35 Cb 1.40 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.83 1tei h LYS 35 CO 0.62 0.00 0.34 0.21 -1.08 0.00 0.00 179.45 179.54 1tei s LYS 36 N -3.18 0.73 0.22 3.15 2.47 -1.25 -5.02 119.74 116.86 1tei s LYS 36 Ca 0.09 0.52 -0.03 0.00 -1.56 0.00 0.00 55.97 54.99 1tei s LYS 36 Cb 0.10 0.35 -0.03 0.00 -1.46 0.00 0.00 37.83 36.79 1tei s LYS 36 CO 0.58 -0.16 0.21 0.95 0.16 0.00 0.00 175.35 177.09 1tei s THR 37 N -0.35 0.00 -0.14 3.43 -4.23 -1.26 -1.86 115.64 111.23 1tei s THR 37 Ca -0.02 -1.89 -0.15 0.00 -1.18 0.00 0.00 61.69 58.46 1tei s THR 37 Cb -0.03 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.40 1tei s THR 37 CO 0.01 0.00 0.41 0.00 -0.54 0.00 0.00 174.62 174.50 1tei s ALA 38 N -4.08 -1.02 0.34 3.99 0.00 -0.81 -4.98 121.76 115.19 1tei s ALA 38 Ca 0.36 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 53.12 1tei s ALA 38 Cb 0.05 -0.58 -0.11 0.00 0.00 0.00 0.00 23.12 22.47 1tei s ALA 38 CO 0.12 -0.21 1.52 1.17 0.00 0.00 0.00 175.76 178.36 1tei n LYS 39 N 2.64 2.64 -3.90 0.00 4.81 -1.26 -2.12 118.16 120.97 1tei n LYS 39 Ca -0.14 0.93 -0.27 0.00 -0.87 0.00 0.00 58.31 57.96 1tei n LYS 39 Cb 0.57 -2.67 -0.17 0.00 0.02 0.00 0.00 35.03 32.78 1tei n LYS 39 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1tei s TRP 40 N -0.65 1.54 -1.34 5.64 -0.00 -0.34 -4.77 118.94 119.03 1tei s TRP 40 Ca 0.58 -0.85 -0.15 0.00 -0.00 0.00 0.00 56.10 55.68 1tei s TRP 40 Cb -0.49 -1.25 0.09 0.00 -0.00 0.00 0.00 33.47 31.81 1tei s TRP 40 CO 0.57 -0.55 1.88 0.09 -0.00 0.00 0.00 176.95 178.95 1tei n ASN 41 N 4.92 4.65 -4.72 5.86 3.02 -1.26 -4.45 115.26 123.28 1tei n ASN 41 Ca -0.12 -2.93 -0.43 0.00 -0.03 0.00 0.00 54.58 51.07 1tei n ASN 41 Cb 0.49 -1.65 -0.02 0.00 -0.61 0.00 0.00 39.78 37.99 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 6.48 2.56 -3.70 3.52 0.00 -1.26 -4.96 117.12 119.76 1tei n MET 42 Ca 0.47 0.91 -0.38 0.00 -0.00 0.00 0.00 57.70 58.71 1tei n MET 42 Cb 0.42 -2.69 -0.10 0.00 0.00 0.00 0.00 33.22 30.84 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 0.03 2.29 0.01 2.12 -0.21 -1.26 -5.07 119.66 117.57 1tei s GLN 43 Ca 0.69 -2.00 -0.35 0.00 0.02 0.00 0.00 55.36 53.71 1tei s GLN 43 Cb -0.54 -3.72 -0.14 0.00 1.00 0.00 0.00 33.01 29.61 1tei s GLN 43 CO 0.44 -1.13 1.67 -1.71 -2.12 0.00 0.00 175.29 172.44 1tei n ASN 44 N 4.37 2.92 0.00 5.90 2.85 -1.26 -2.06 115.26 127.98 1tei n ASN 44 Ca -0.00 1.05 0.00 0.00 -0.11 0.00 0.00 54.58 55.51 1tei n ASN 44 Cb 0.40 -1.34 0.00 0.00 1.24 0.00 0.00 39.78 40.09 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 3.73 0.99 3.59 8.20 0.00 0.34 -4.98 105.19 117.06 1tei n GLY 45 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.54 2.22 -0.08 1.61 1.02 -0.87 -4.94 119.74 118.16 1tei s LYS 46 Ca 0.00 -0.97 -0.30 0.00 0.02 0.00 0.00 55.97 54.72 1tei s LYS 46 Cb 0.00 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.93 1tei s LYS 46 CO 0.00 0.52 1.17 0.08 -0.92 0.00 0.00 175.35 176.20 1tei s VAL 47 N -1.20 4.36 0.46 3.17 1.01 -1.26 -4.26 120.40 122.68 1tei s VAL 47 Ca 0.21 1.67 0.05 0.00 0.00 0.00 0.00 61.98 63.91 1tei s VAL 47 Cb -0.11 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1tei s VAL 47 CO 0.13 -0.02 0.08 -0.83 0.00 0.00 0.00 175.10 174.46 1tei s GLY 48 N 1.45 2.66 -0.03 4.51 0.00 -0.08 -4.59 107.32 111.25 1tei s GLY 48 Ca 0.54 -1.41 0.02 0.00 0.00 0.00 0.00 44.72 43.86 1tei s GLY 48 CO 0.20 -2.09 -0.07 -1.59 0.00 0.00 0.00 173.10 169.55 1tei s THR 49 N -2.76 0.68 0.02 0.90 2.01 -0.22 -1.69 115.64 114.57 1tei s THR 49 Ca 0.25 -0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.04 1tei s THR 49 Cb 0.04 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 1tei s THR 49 CO 0.13 0.23 -0.19 0.00 -0.69 0.00 0.00 174.62 174.10 1tei s ALA 50 N 0.38 2.52 -0.04 7.40 0.00 -0.05 -1.29 121.76 130.67 1tei s ALA 50 Ca -0.06 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.74 1tei s ALA 50 Cb -0.10 -0.73 0.03 0.00 0.00 0.00 0.00 23.12 22.33 1tei s ALA 50 CO 0.00 0.56 0.06 -1.58 0.00 0.00 0.00 175.76 174.80 1tei s HIS 51 N -0.84 0.04 -0.04 0.00 5.04 -0.11 -1.78 115.29 117.60 1tei s HIS 51 Ca 0.13 0.25 0.06 0.00 -1.54 0.00 0.00 55.06 53.96 1tei s HIS 51 Cb -0.10 -0.41 -0.02 0.00 0.04 0.00 0.00 32.58 32.09 1tei s HIS 51 CO 0.03 -0.17 -0.21 0.42 -2.34 0.00 0.00 174.74 172.48 1tei s ILE 52 N 1.90 2.50 0.02 0.89 1.09 -0.00 -1.18 121.20 126.42 1tei s ILE 52 Ca 0.01 -0.94 -0.03 0.00 -1.10 0.00 0.00 60.65 58.60 1tei s ILE 52 Cb -0.12 -1.92 -0.02 0.00 -1.06 0.00 0.00 42.46 39.34 1tei s ILE 52 CO -0.03 0.58 0.04 0.27 -0.10 0.00 0.00 174.94 175.70 1tei s ILE 53 N -0.61 0.12 -0.07 2.92 -4.36 -0.50 -0.81 121.20 117.89 1tei s ILE 53 Ca 0.09 -1.02 -0.31 0.00 -0.26 0.00 0.00 60.65 59.15 1tei s ILE 53 Cb -0.11 -0.62 0.08 0.00 1.25 0.00 0.00 42.46 43.07 1tei s ILE 53 CO 0.00 -0.56 0.74 -0.47 0.24 0.00 0.00 174.94 174.89 1tei s TYR 54 N -2.05 -0.60 -0.13 1.37 6.14 -0.92 -1.58 117.35 119.58 1tei s TYR 54 Ca -0.10 1.02 -0.16 0.00 0.64 0.00 0.00 57.07 58.47 1tei s TYR 54 Cb -0.05 0.42 0.04 0.00 0.42 0.00 0.00 41.96 42.79 1tei s TYR 54 CO -0.03 -0.56 0.42 0.54 0.64 0.00 0.00 175.55 176.57 1tei s ASN 55 N -1.19 -0.42 0.10 4.32 2.20 -1.26 -1.80 114.94 116.90 1tei s ASN 55 Ca -0.09 0.74 0.16 0.00 -0.94 0.00 0.00 52.86 52.72 1tei s ASN 55 Cb -0.00 0.77 0.68 0.00 -2.00 0.00 0.00 41.25 40.70 1tei s ASN 55 CO 0.08 -0.21 1.49 -1.54 -2.94 0.00 0.00 177.10 173.97 1tei n SER 56 N 2.53 0.24 -0.02 3.54 3.41 0.11 -1.13 113.62 122.30 1tei n SER 56 Ca -0.15 0.57 -0.11 0.00 -0.26 0.00 0.00 58.87 58.92 1tei n SER 56 Cb 0.57 -0.61 -0.09 0.00 -0.26 0.00 0.00 64.21 63.81 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 1.22 0.00 -3.33 2.07 -1.89 -3.33 116.25 110.98 1tei h VAL 57 Ca 0.00 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1tei h VAL 57 Cb 0.23 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1tei h VAL 57 CO 0.00 0.36 -0.51 0.44 0.02 0.00 0.00 177.57 177.88 1tei h ASP 58 N -0.87 0.00 -6.25 0.57 3.32 -1.98 -3.47 116.42 107.74 1tei h ASP 58 Ca -0.01 -0.01 -0.45 0.00 0.02 0.00 0.00 57.03 56.59 1tei h ASP 58 Cb 0.65 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.21 1tei h ASP 58 CO 0.01 0.00 -0.85 0.29 -1.72 0.00 0.00 179.24 176.97 1tei n LYS 59 N -2.86 -4.30 -4.13 3.56 5.02 -0.28 -4.89 118.16 110.28 1tei n LYS 59 Ca 0.02 0.54 -0.24 0.00 -2.02 0.00 0.00 58.31 56.60 1tei n LYS 59 Cb 0.54 -4.94 -0.17 0.00 -0.02 0.00 0.00 35.03 30.44 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 -6.21 1.32 -0.29 1.97 3.52 -1.25 -1.42 118.95 116.60 1tei s ARG 60 Ca 0.02 -0.22 -0.11 0.00 -0.13 0.00 0.00 55.73 55.28 1tei s ARG 60 Cb -0.01 -1.31 -0.05 0.00 -1.56 0.00 0.00 34.95 32.02 1tei s ARG 60 CO 0.84 -0.15 0.20 -1.17 -0.81 0.00 0.00 175.30 174.21 1tei s LEU 61 N 1.30 4.08 0.12 -0.88 2.96 -0.40 -4.02 118.68 121.84 1tei s LEU 61 Ca -0.04 -0.04 0.07 0.00 -0.22 0.00 0.00 54.13 53.90 1tei s LEU 61 Cb -0.14 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 1tei s LEU 61 CO -0.03 -0.08 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.31 1tei s SER 62 N 1.75 2.31 0.01 3.68 0.01 -0.61 -1.50 113.70 119.35 1tei s SER 62 Ca 0.07 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1tei s SER 62 Cb -0.16 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 65.95 1tei s SER 62 CO 0.11 -0.04 -0.02 0.00 0.41 0.00 0.00 173.24 173.70 1tei s ALA 63 N -1.69 0.08 -0.04 1.44 0.00 -0.07 -1.41 121.76 120.07 1tei s ALA 63 Ca 0.09 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.76 1tei s ALA 63 Cb -0.07 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1tei s ALA 63 CO 0.04 -0.07 -0.03 0.08 0.00 0.00 0.00 175.76 175.78 1tei s VAL 64 N -0.71 0.46 -0.03 0.00 1.01 -0.32 -1.84 120.40 118.97 1tei s VAL 64 Ca -0.08 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1tei s VAL 64 Cb -0.05 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1tei s VAL 64 CO -0.00 0.21 -0.21 -0.69 0.00 0.00 0.00 175.10 174.41 1tei s VAL 65 N 0.98 1.66 0.19 2.92 1.01 -0.67 -0.93 120.40 125.56 1tei s VAL 65 Ca -0.10 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 60.78 1tei s VAL 65 Cb -0.14 -1.39 0.05 0.00 0.00 0.00 0.00 36.38 34.90 1tei s VAL 65 CO -0.00 0.47 0.62 -0.94 0.00 0.00 0.00 175.10 175.25 1tei s SER 66 N -0.32 -0.47 0.12 3.32 1.04 -0.41 -1.34 113.70 115.64 1tei s SER 66 Ca 0.04 -0.19 0.10 0.00 0.48 0.00 0.00 55.95 56.38 1tei s SER 66 Cb -0.10 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 1tei s SER 66 CO 0.01 -1.07 -0.24 -0.31 0.98 0.00 0.00 173.24 172.61 1tei s TYR 67 N -3.80 2.06 0.25 5.02 2.02 -1.26 -1.06 117.35 120.59 1tei s TYR 67 Ca 0.04 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 56.03 1tei s TYR 67 Cb -0.02 -1.12 -0.13 0.00 -0.40 0.00 0.00 41.96 40.29 1tei s TYR 67 CO -0.07 0.29 1.47 -2.30 -1.57 0.00 0.00 175.55 173.36 1tei n PRO 68 N 0.94 2.25 -3.46 -1.71 -0.02 -1.26 -2.79 135.00 128.95 1tei n PRO 68 Ca -0.18 0.80 -0.18 0.00 -2.02 0.00 0.00 63.50 61.92 1tei n PRO 68 Cb 0.53 -2.50 0.08 0.00 -0.02 0.00 0.00 33.50 31.59 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 2.19 -2.30 -3.52 2.55 5.03 -1.26 -5.01 115.26 112.94 1tei n ASN 69 Ca 0.11 -0.66 -0.16 0.00 0.87 0.00 0.00 54.58 54.73 1tei n ASN 69 Cb 0.33 -4.96 -0.05 0.00 -1.02 0.00 0.00 39.78 34.08 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 -3.41 -1.77 0.81 5.41 0.00 -1.12 -5.15 121.76 116.52 1tei s ALA 70 Ca 0.04 1.26 -0.11 0.00 0.00 0.00 0.00 51.96 53.15 1tei s ALA 70 Cb -0.01 0.02 0.08 0.00 0.00 0.00 0.00 23.12 23.21 1tei s ALA 70 CO 0.74 -0.41 1.11 -0.51 0.00 0.00 0.00 175.76 176.69 1tei s ASP 71 N -1.37 4.05 0.17 0.00 1.01 -1.26 -4.57 116.67 114.69 1tei s ASP 71 Ca -0.08 1.95 0.06 0.00 0.71 0.00 0.00 52.55 55.18 1tei s ASP 71 Cb -0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1tei s ASP 71 CO 0.06 -2.35 0.09 -0.94 0.21 0.00 0.00 175.17 172.25 1tei s SER 72 N -3.13 5.29 -0.09 0.27 1.04 -1.26 -4.56 113.70 111.26 1tei s SER 72 Ca 0.63 -0.22 -0.09 0.00 0.48 0.00 0.00 55.95 56.76 1tei s SER 72 Cb -0.19 -1.31 -0.04 0.00 0.10 0.00 0.00 66.02 64.58 1tei s SER 72 CO 0.56 0.07 0.20 0.00 0.98 0.00 0.00 173.24 175.05 1tei s ALA 73 N -1.75 3.84 0.02 5.32 0.00 -0.45 -4.94 121.76 123.80 1tei s ALA 73 Ca 0.30 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.74 1tei s ALA 73 Cb -0.10 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 1tei s ALA 73 CO 0.22 0.59 -0.09 0.99 0.00 0.00 0.00 175.76 177.47 1tei s THR 74 N -1.06 0.71 -0.12 0.00 2.01 -1.26 -1.68 115.64 114.25 1tei s THR 74 Ca 0.17 -0.72 -0.10 0.00 0.31 0.00 0.00 61.69 61.35 1tei s THR 74 Cb -0.13 -0.66 0.03 0.00 0.01 0.00 0.00 72.50 71.75 1tei s THR 74 CO 0.07 -0.04 0.31 0.54 -0.69 0.00 0.00 174.62 174.81 1tei s VAL 75 N -0.70 -0.00 0.05 3.82 0.11 -0.77 -4.75 120.40 118.16 1tei s VAL 75 Ca -0.01 0.01 -0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1tei s VAL 75 Cb -0.06 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1tei s VAL 75 CO 0.00 0.00 -0.04 -0.44 -3.33 0.00 0.00 175.10 171.30 1tei s SER 76 N 0.24 0.51 -0.24 3.54 0.01 -1.26 -0.89 113.70 115.62 1tei s SER 76 Ca -0.01 -0.86 -0.19 0.00 1.31 0.00 0.00 55.95 56.20 1tei s SER 76 Cb -0.03 0.16 0.06 0.00 0.21 0.00 0.00 66.02 66.43 1tei s SER 76 CO -0.00 -0.50 0.62 -0.47 0.41 0.00 0.00 173.24 173.30 1tei s TYR 77 N -3.20 -0.76 -0.30 2.43 5.04 -0.56 -4.95 117.35 115.04 1tei s TYR 77 Ca 0.01 1.74 -0.26 0.00 -2.44 0.00 0.00 57.07 56.13 1tei s TYR 77 Cb 0.03 0.33 0.01 0.00 0.35 0.00 0.00 41.96 42.67 1tei s TYR 77 CO -0.07 -0.38 0.89 -0.51 -1.34 0.00 0.00 175.55 174.15 1tei s ASP 78 N 0.72 6.78 -0.18 4.32 1.01 -1.26 -1.27 116.67 126.79 1tei s ASP 78 Ca -0.03 0.84 -0.09 0.00 0.71 0.00 0.00 52.55 53.99 1tei s ASP 78 Cb -0.05 -2.46 0.07 0.00 1.01 0.00 0.00 42.92 41.49 1tei s ASP 78 CO -0.05 -0.69 0.41 0.54 0.21 0.00 0.00 175.17 175.59 1tei s VAL 79 N 3.18 -0.19 -0.57 -1.27 0.11 -0.50 -4.99 120.40 116.15 1tei s VAL 79 Ca 0.37 0.12 -0.23 0.00 -2.93 0.00 0.00 61.98 59.31 1tei s VAL 79 Cb -0.14 -0.63 0.05 0.00 -1.53 0.00 0.00 36.38 34.14 1tei s VAL 79 CO 0.13 0.05 0.89 -0.62 -3.33 0.00 0.00 175.10 172.21 1tei s ASP 80 N 1.74 6.27 0.33 3.54 -1.08 -1.26 -4.38 116.67 121.83 1tei s ASP 80 Ca -0.07 -0.63 0.25 0.00 -0.52 0.00 0.00 52.55 51.58 1tei s ASP 80 Cb -0.09 -2.40 1.17 0.00 -1.46 0.00 0.00 42.92 40.13 1tei s ASP 80 CO -0.13 -1.22 1.76 -0.07 0.52 0.00 0.00 175.17 176.03 1tei h LEU 81 N 10.83 0.00 -1.47 -1.34 3.38 -1.97 -2.39 115.31 122.35 1tei h LEU 81 Ca -0.27 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 1tei h LEU 81 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1tei h LEU 81 CO 1.09 0.00 -0.27 0.44 0.09 0.00 0.00 178.44 179.79 1tei h ASP 82 N 0.00 0.00 -0.32 -0.43 3.32 -1.91 -1.67 116.42 115.42 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 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1tei h ASP 82 CO 0.00 0.27 0.00 0.59 -1.72 0.00 0.00 179.24 178.38 1tei n ASN 83 N -4.17 2.96 -0.02 6.45 3.02 -0.90 -4.52 115.26 118.08 1tei n ASN 83 Ca -0.02 -1.92 -0.04 0.00 -0.03 0.00 0.00 54.58 52.56 1tei n ASN 83 Cb 0.32 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.27 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 1.17 0.25 -4.00 2.41 0.31 -0.92 -5.07 118.33 112.48 1tei n VAL 84 Ca 0.18 -0.07 -0.29 0.00 -0.01 0.00 0.00 64.34 64.15 1tei n VAL 84 Cb 0.53 -1.26 -0.05 0.00 -0.91 0.00 0.00 33.84 32.15 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 -5.92 4.06 0.95 7.52 1.43 -0.67 -4.96 118.68 121.08 1tei s LEU 85 Ca -0.06 0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 1tei s LEU 85 Cb 0.02 -2.68 0.16 0.00 0.03 0.00 0.00 46.19 43.72 1tei s LEU 85 CO 0.09 0.13 1.10 -2.16 0.23 0.00 0.00 176.35 175.73 1tei s PRO 86 N -2.74 0.85 0.34 1.29 0.04 -1.26 -4.74 135.00 128.77 1tei s PRO 86 Ca 0.32 0.56 0.03 0.00 0.04 0.00 0.00 61.00 61.95 1tei s PRO 86 Cb -0.12 -1.78 0.63 0.00 0.04 0.00 0.00 34.50 33.27 1tei s PRO 86 CO 0.25 -2.46 1.98 1.49 0.04 0.00 0.00 177.00 178.30 1tei h GLU 87 N -1.69 0.86 -5.89 4.56 4.81 -1.94 -3.41 114.58 111.87 1tei h GLU 87 Ca -0.52 -0.05 -0.68 0.00 -0.13 0.00 0.00 59.36 57.98 1tei h GLU 87 Cb 1.31 -0.19 -0.25 0.00 0.63 0.00 0.00 28.75 30.26 1tei h GLU 87 CO 0.58 0.57 -0.76 -1.58 -0.73 0.00 0.00 179.01 177.08 1tei s TRP 88 N -5.76 2.76 0.24 0.92 0.52 -1.26 -1.91 118.94 114.44 1tei s TRP 88 Ca -0.10 -0.35 0.02 0.00 0.02 0.00 0.00 56.10 55.68 1tei s TRP 88 Cb 0.18 -1.72 -0.01 0.00 -1.15 0.00 0.00 33.47 30.77 1tei s TRP 88 CO 0.78 0.03 0.27 1.33 0.02 0.00 0.00 176.95 179.37 1tei n VAL 89 N 2.82 0.00 -4.17 4.03 0.24 -0.19 -4.31 118.33 116.74 1tei n VAL 89 Ca -0.18 -1.44 -0.18 0.00 -2.04 0.00 0.00 64.34 60.50 1tei n VAL 89 Cb 0.52 0.80 -0.12 0.00 -1.47 0.00 0.00 33.84 33.57 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 -2.73 0.83 0.10 7.34 0.52 -0.02 0.15 118.95 125.13 1tei s ARG 90 Ca 0.24 -0.97 0.10 0.00 -0.52 0.00 0.00 55.73 54.59 1tei s ARG 90 Cb 0.00 -0.84 -0.04 0.00 0.52 0.00 0.00 34.95 34.60 1tei s ARG 90 CO 0.17 0.18 -0.27 0.14 0.02 0.00 0.00 175.30 175.55 1tei s VAL 91 N -1.30 2.23 0.09 3.52 -7.23 -1.26 -1.24 120.40 115.21 1tei s VAL 91 Ca -0.02 -1.65 -0.06 0.00 -1.81 0.00 0.00 61.98 58.44 1tei s VAL 91 Cb -0.10 -1.95 0.02 0.00 0.56 0.00 0.00 36.38 34.91 1tei s VAL 91 CO 0.02 0.17 0.31 0.61 -0.31 0.00 0.00 175.10 175.91 1tei n GLY 92 N 1.17 1.31 3.23 2.32 0.00 0.20 -1.64 105.19 111.80 1tei n GLY 92 Ca -0.18 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 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 2.08 0.12 0.99 1.43 -0.06 -0.42 118.68 122.82 1tei s LEU 93 Ca 0.07 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 1tei s LEU 93 Cb -0.01 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 1tei s LEU 93 CO 0.03 0.23 -0.06 -0.55 0.23 0.00 0.00 176.35 176.22 1tei s SER 94 N -0.71 1.29 0.00 2.29 0.15 0.50 -1.50 113.70 115.71 1tei s SER 94 Ca 0.08 -1.03 -0.28 0.00 0.70 0.00 0.00 55.95 55.42 1tei s SER 94 Cb -0.08 0.08 0.09 0.00 -1.71 0.00 0.00 66.02 64.40 1tei s SER 94 CO 0.00 -0.45 0.80 0.00 1.20 0.00 0.00 173.24 174.79 1tei s ALA 95 N -3.56 -1.78 0.17 5.45 0.00 -0.90 -0.56 121.76 120.58 1tei s ALA 95 Ca 0.15 1.03 -0.19 0.00 0.00 0.00 0.00 51.96 52.94 1tei s ALA 95 Cb 0.05 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.49 1tei s ALA 95 CO -0.02 -0.59 0.53 -1.54 0.00 0.00 0.00 175.76 174.14 1tei s SER 96 N -2.10 -0.36 0.15 0.00 1.04 -1.13 -2.38 113.70 108.92 1tei s SER 96 Ca 0.00 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.17 1tei s SER 96 Cb -0.01 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 1tei s SER 96 CO -0.05 -0.99 -0.02 0.42 0.98 0.00 0.00 173.24 173.58 1tei s THR 97 N -3.82 0.68 0.00 2.02 -4.23 -0.06 -0.62 115.64 109.62 1tei s THR 97 Ca 0.05 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1tei s THR 97 Cb -0.01 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.84 1tei s THR 97 CO -0.08 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.02 1tei n GLY 98 N -0.18 4.64 0.36 3.99 0.00 -1.26 -0.20 105.19 112.54 1tei n GLY 98 Ca -0.08 -0.63 -0.04 0.00 0.00 0.00 0.00 46.02 45.27 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 1.12 -9.85 0.99 5.85 -1.98 -1.73 115.31 109.71 1tei h LEU 99 Ca 0.00 -0.10 -0.56 0.00 0.84 0.00 0.00 57.88 58.07 1tei h LEU 99 Cb 0.00 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.69 1tei h LEU 99 CO 0.00 0.90 -0.54 -0.31 -0.34 0.00 0.00 178.44 178.15 1tei s TYR 100 N -5.83 3.22 0.42 1.25 2.02 -1.26 -4.88 117.35 112.29 1tei s TYR 100 Ca -0.13 -0.00 0.05 0.00 -0.37 0.00 0.00 57.07 56.62 1tei s TYR 100 Cb 0.17 -1.53 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 1tei s TYR 100 CO 0.83 0.52 0.17 -1.59 -1.57 0.00 0.00 175.55 173.90 1tei s LYS 101 N -3.24 1.97 -0.11 -0.62 0.00 -1.26 -4.42 119.74 112.08 1tei s LYS 101 Ca 0.32 -2.21 -0.33 0.00 0.00 0.00 0.00 55.97 53.75 1tei s LYS 101 Cb -0.10 -0.45 0.13 0.00 0.00 0.00 0.00 37.83 37.41 1tei s LYS 101 CO 0.25 -0.56 1.17 -1.83 0.00 0.00 0.00 175.35 174.38 1tei s GLU 102 N -3.62 0.45 0.10 1.78 -1.05 -1.14 -3.57 118.70 111.66 1tei s GLU 102 Ca 0.24 -0.19 -0.16 0.00 -0.15 0.00 0.00 54.97 54.71 1tei s GLU 102 Cb 0.01 0.19 -0.07 0.00 -0.44 0.00 0.00 34.13 33.83 1tei s GLU 102 CO 0.17 -0.20 0.54 0.95 0.95 0.00 0.00 175.26 177.67 1tei s THR 103 N -2.57 4.84 -0.60 1.83 -4.23 0.13 -4.74 115.64 110.30 1tei s THR 103 Ca 0.10 0.97 0.05 0.00 -1.18 0.00 0.00 61.69 61.63 1tei s THR 103 Cb 0.00 -3.79 0.31 0.00 1.34 0.00 0.00 72.50 70.36 1tei s THR 103 CO -0.05 0.40 0.89 0.59 -0.54 0.00 0.00 174.62 175.91 1tei n ASN 104 N 1.25 4.28 -4.71 3.99 5.03 -1.26 -3.51 115.26 120.33 1tei n ASN 104 Ca -0.08 -3.61 -0.42 0.00 0.87 0.00 0.00 54.58 51.34 1tei n ASN 104 Cb 0.51 -0.60 -0.03 0.00 -1.02 0.00 0.00 39.78 38.64 1tei n ASN 104 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1tei s THR 105 N -3.82 4.87 -0.25 3.41 2.01 -1.09 -2.50 115.64 118.27 1tei s THR 105 Ca 0.46 2.01 -0.06 0.00 0.31 0.00 0.00 61.69 64.41 1tei s THR 105 Cb 0.24 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1tei s THR 105 CO -0.10 0.14 0.04 -0.63 -0.69 0.00 0.00 174.62 173.38 1tei s ILE 106 N 1.15 3.98 -0.16 1.82 -1.09 0.26 -1.01 121.20 126.14 1tei s ILE 106 Ca 0.50 -0.35 0.22 0.00 -2.23 0.00 0.00 60.65 58.79 1tei s ILE 106 Cb -0.20 -2.88 -0.12 0.00 -1.58 0.00 0.00 42.46 37.68 1tei s ILE 106 CO 0.26 0.32 0.83 0.18 -1.23 0.00 0.00 174.94 175.30 1tei n LEU 107 N 4.88 0.60 -3.51 2.97 4.32 0.37 -1.66 117.00 124.95 1tei n LEU 107 Ca -0.16 0.24 -0.14 0.00 -0.02 0.00 0.00 56.01 55.92 1tei n LEU 107 Cb 0.51 -0.01 -0.05 0.00 -1.62 0.00 0.00 43.42 42.25 1tei n LEU 107 CO 0.30 -0.08 0.56 -0.94 -1.22 0.00 0.00 177.39 176.01 1tei s SER 108 N -5.19 -0.53 -0.21 -1.43 1.04 -1.23 -4.46 113.70 101.69 1tei s SER 108 Ca -0.03 0.41 -0.14 0.00 0.48 0.00 0.00 55.95 56.67 1tei s SER 108 Cb 0.11 0.47 0.06 0.00 0.10 0.00 0.00 66.02 66.76 1tei s SER 108 CO 0.83 -0.60 0.53 0.86 0.98 0.00 0.00 173.24 175.84 1tei s TRP 109 N -1.89 -0.75 0.02 5.02 -0.00 -0.43 -1.89 118.94 119.03 1tei s TRP 109 Ca -0.04 1.60 -0.01 0.00 -0.00 0.00 0.00 56.10 57.65 1tei s TRP 109 Cb -0.00 0.37 -0.02 0.00 -0.00 0.00 0.00 33.47 33.81 1tei s TRP 109 CO 0.01 -0.39 -0.01 -1.54 -0.00 0.00 0.00 176.95 175.02 1tei s SER 110 N 1.18 0.23 -0.06 5.86 1.04 0.31 -0.27 113.70 121.98 1tei s SER 110 Ca -0.07 -0.49 -0.10 0.00 0.48 0.00 0.00 55.95 55.76 1tei s SER 110 Cb -0.06 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.20 1tei s SER 110 CO -0.11 -0.32 0.26 0.12 0.98 0.00 0.00 173.24 174.16 1tei s PHE 111 N -1.56 -0.21 -0.04 5.02 5.36 -0.62 -1.20 117.98 124.74 1tei s PHE 111 Ca -0.15 0.46 -0.01 0.00 -0.96 0.00 0.00 56.93 56.27 1tei s PHE 111 Cb -0.09 0.07 0.03 0.00 -0.34 0.00 0.00 43.02 42.69 1tei s PHE 111 CO -0.01 -0.23 0.07 0.99 -1.46 0.00 0.00 175.22 174.58 1tei s THR 112 N -0.49 -0.05 -0.03 0.12 2.01 -0.14 -1.84 115.64 115.23 1tei s THR 112 Ca -0.06 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.15 1tei s THR 112 Cb -0.04 -0.14 0.00 0.00 0.01 0.00 0.00 72.50 72.34 1tei s THR 112 CO 0.02 0.07 -0.10 -0.55 -0.69 0.00 0.00 174.62 173.37 1tei s SER 113 N 1.00 1.31 -0.00 3.53 0.15 -0.20 -0.62 113.70 118.87 1tei s SER 113 Ca -0.08 -0.20 0.01 0.00 0.70 0.00 0.00 55.95 56.38 1tei s SER 113 Cb -0.11 -0.36 -0.00 0.00 -1.71 0.00 0.00 66.02 63.83 1tei s SER 113 CO -0.04 0.07 -0.04 -0.54 1.20 0.00 0.00 173.24 173.89 1tei s LYS 114 N 0.20 0.33 -0.10 5.44 1.02 0.17 -1.70 119.74 125.11 1tei s LYS 114 Ca -0.04 -0.15 0.01 0.00 0.02 0.00 0.00 55.97 55.81 1tei s LYS 114 Cb -0.09 -0.32 0.02 0.00 -0.52 0.00 0.00 37.83 36.92 1tei s LYS 114 CO 0.01 0.09 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.92 1tei s LEU 115 N -0.11 1.36 -0.24 3.17 1.43 0.11 -1.26 118.68 123.14 1tei s LEU 115 Ca 0.01 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1tei s LEU 115 Cb -0.02 -0.84 0.03 0.00 0.03 0.00 0.00 46.19 45.39 1tei s LEU 115 CO -0.00 -0.06 -0.09 -0.75 0.23 0.00 0.00 176.35 175.68 1tei s LYS 116 N 1.34 2.78 0.54 1.70 2.20 0.59 -0.58 119.74 128.31 1tei s LYS 116 Ca -0.02 -1.00 0.04 0.00 -0.36 0.00 0.00 55.97 54.62 1tei s LYS 116 Cb -0.14 -2.92 0.10 0.00 -1.51 0.00 0.00 37.83 33.37 1tei s LYS 116 CO -0.04 -0.39 0.75 0.43 -0.36 0.00 0.00 175.35 175.73 1tei n SER 117 N 4.63 1.40 -4.14 1.43 7.64 -1.16 0.14 113.62 123.55 1tei n SER 117 Ca -0.17 -2.09 -0.35 0.00 1.01 0.00 0.00 58.87 57.27 1tei n SER 117 Cb 0.47 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 63.16 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 -2.71 2.84 -3.50 6.43 4.13 -1.18 -4.62 115.26 116.66 1tei n ASN 118 Ca 0.14 -2.69 -0.09 0.00 1.68 0.00 0.00 54.58 53.61 1tei n ASN 118 Cb 0.49 -1.45 -0.02 0.00 -1.54 0.00 0.00 39.78 37.26 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 5.78 -0.39 -0.30 6.41 0.01 -1.26 -5.09 113.70 118.85 1tei s SER 119 Ca 0.63 0.05 -0.29 0.00 1.31 0.00 0.00 55.95 57.65 1tei s SER 119 Cb 0.06 0.41 -0.02 0.00 0.21 0.00 0.00 66.02 66.68 1tei s SER 119 CO 0.13 -0.64 1.68 0.42 0.41 0.00 0.00 173.24 175.25 1tei s THR 120 N -3.00 3.61 0.00 1.44 -4.23 -1.26 -3.34 115.64 108.86 1tei s THR 120 Ca 0.04 0.64 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 1tei s THR 120 Cb -0.01 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.09 1tei s THR 120 CO -0.08 -0.42 0.00 1.57 -0.54 0.00 0.00 174.62 175.15 1tei n HIS 121 N 9.46 0.00 -2.55 3.99 -0.00 -1.26 -4.85 115.22 120.01 1tei n HIS 121 Ca 0.21 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.52 1tei n HIS 121 Cb 0.46 -1.73 -0.03 0.00 -0.00 0.00 0.00 29.99 28.69 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 -1.60 3.58 -0.08 1.57 2.02 -1.21 -4.93 118.70 118.05 1tei s GLU 122 Ca 0.00 -1.14 0.05 0.00 0.02 0.00 0.00 54.97 53.90 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 -2.24 -0.24 0.99 0.02 0.00 0.00 175.26 173.79 1tei s THR 123 N 5.06 2.11 -0.13 3.63 2.01 -1.26 -3.01 115.64 124.06 1tei s THR 123 Ca 0.47 -1.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.40 1tei s THR 123 Cb 0.00 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1tei s THR 123 CO -0.09 0.56 0.03 0.20 -0.69 0.00 0.00 174.62 174.64 1tei s ASN 124 N 0.07 5.43 0.05 3.53 -0.87 0.26 -4.95 114.94 118.47 1tei s ASN 124 Ca -0.11 0.13 -0.06 0.00 -1.57 0.00 0.00 52.86 51.26 1tei s ASN 124 Cb -0.16 -1.73 -0.01 0.00 -0.02 0.00 0.00 41.25 39.33 1tei s ASN 124 CO 0.06 0.29 0.10 0.00 -2.57 0.00 0.00 177.10 174.98 1tei s ALA 125 N -0.36 -0.01 -0.02 0.60 0.00 -1.26 -0.71 121.76 120.00 1tei s ALA 125 Ca 0.08 -0.68 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 1tei s ALA 125 Cb -0.12 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.33 1tei s ALA 125 CO 0.02 -0.38 0.03 -1.17 0.00 0.00 0.00 175.76 174.26 1tei s LEU 126 N -2.45 1.43 -0.14 0.00 2.96 -0.69 -5.00 118.68 114.79 1tei s LEU 126 Ca -0.00 0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.86 1tei s LEU 126 Cb 0.02 0.00 0.05 0.00 0.50 0.00 0.00 46.19 46.76 1tei s LEU 126 CO -0.07 -0.08 0.35 -2.28 -1.32 0.00 0.00 176.35 172.95 1tei s HIS 127 N 0.62 -0.46 0.02 5.38 5.65 -1.26 -1.03 115.29 124.21 1tei s HIS 127 Ca -0.05 1.05 0.00 0.00 0.25 0.00 0.00 55.06 56.31 1tei s HIS 127 Cb -0.07 0.17 -0.02 0.00 -1.18 0.00 0.00 32.58 31.48 1tei s HIS 127 CO -0.02 -0.26 -0.03 -0.59 -0.65 0.00 0.00 174.74 173.19 1tei s PHE 128 N 0.97 0.26 -0.09 3.88 -0.12 -0.77 -5.01 117.98 117.10 1tei s PHE 128 Ca -0.06 -0.44 -0.04 0.00 -0.05 0.00 0.00 56.93 56.34 1tei s PHE 128 Cb -0.07 -0.18 0.05 0.00 -0.63 0.00 0.00 43.02 42.19 1tei s PHE 128 CO -0.07 -0.15 0.18 1.41 -0.05 0.00 0.00 175.22 176.53 1tei s MET 129 N -1.22 0.07 -0.21 1.99 1.75 -1.26 -1.58 119.30 118.84 1tei s MET 129 Ca -0.13 0.55 -0.01 0.00 -1.25 0.00 0.00 55.69 54.86 1tei s MET 129 Cb -0.08 -0.22 0.01 0.00 2.84 0.00 0.00 34.83 37.38 1tei s MET 129 CO -0.01 -0.27 -0.12 -0.06 -0.65 0.00 0.00 175.02 173.91 1tei s PHE 130 N 2.07 2.90 -0.81 4.11 0.08 0.63 -4.93 117.98 122.03 1tei s PHE 130 Ca 0.00 -1.39 0.08 0.00 0.12 0.00 0.00 56.93 55.74 1tei s PHE 130 Cb -0.12 -2.01 0.03 0.00 -0.57 0.00 0.00 43.02 40.35 1tei s PHE 130 CO -0.06 -0.70 0.63 0.09 -0.10 0.00 0.00 175.22 175.08 1tei n ASN 131 N 4.69 1.32 -3.66 1.36 3.02 -1.26 -1.31 115.26 119.42 1tei n ASN 131 Ca -0.19 -1.16 -0.13 0.00 -0.03 0.00 0.00 54.58 53.07 1tei n ASN 131 Cb 0.50 0.25 -0.08 0.00 -0.61 0.00 0.00 39.78 39.83 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 -0.89 0.71 -0.05 3.52 0.74 -1.26 -4.81 119.66 117.62 1tei s GLN 132 Ca 0.07 0.91 0.03 0.00 0.05 0.00 0.00 55.36 56.43 1tei s GLN 132 Cb 0.06 0.31 -0.03 0.00 1.10 0.00 0.00 33.01 34.46 1tei s GLN 132 CO 0.14 -0.10 -0.14 -0.06 -0.55 0.00 0.00 175.29 174.59 1tei s PHE 133 N 0.55 2.73 0.40 1.67 0.08 -0.38 -5.03 117.98 118.00 1tei s PHE 133 Ca -0.02 -0.15 0.08 0.00 0.12 0.00 0.00 56.93 56.96 1tei s PHE 133 Cb -0.05 -1.64 -0.01 0.00 -0.57 0.00 0.00 43.02 40.76 1tei s PHE 133 CO -0.02 0.20 0.46 -1.54 -0.10 0.00 0.00 175.22 174.22 1tei s SER 134 N -0.73 5.46 0.35 1.36 1.04 -1.26 -4.05 113.70 115.87 1tei s SER 134 Ca 0.11 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 56.08 1tei s SER 134 Cb -0.11 -0.74 0.69 0.00 0.10 0.00 0.00 66.02 65.96 1tei s SER 134 CO 0.01 -0.64 1.97 0.50 0.98 0.00 0.00 173.24 176.06 1tei h LYS 135 N 0.87 0.79 -3.20 4.02 3.64 -1.87 -3.24 116.57 117.57 1tei h LYS 135 Ca -0.42 -0.05 -0.64 0.00 -1.27 0.00 0.00 60.65 58.28 1tei h LYS 135 Cb 1.27 -0.18 -0.41 0.00 -0.41 0.00 0.00 32.23 32.50 1tei h LYS 135 CO 0.51 0.52 -0.53 0.34 -2.27 0.00 0.00 179.45 178.02 1tei s ASP 136 N -6.27 4.83 -1.20 4.20 2.15 -1.26 -4.74 116.67 114.37 1tei s ASP 136 Ca -0.10 -3.60 -0.13 0.00 0.43 0.00 0.00 52.55 49.15 1tei s ASP 136 Cb 0.19 -1.67 0.18 0.00 -0.30 0.00 0.00 42.92 41.31 1tei s ASP 136 CO 0.77 -0.14 1.41 -1.58 -0.17 0.00 0.00 175.17 175.46 1tei s GLN 137 N -1.11 4.10 0.47 4.34 2.00 -1.22 -4.89 119.66 123.35 1tei s GLN 137 Ca 0.23 -2.64 0.25 0.00 -2.00 0.00 0.00 55.36 51.20 1tei s GLN 137 Cb -0.11 -5.02 1.37 0.00 0.80 0.00 0.00 33.01 30.05 1tei s GLN 137 CO -0.12 -1.72 1.74 0.87 -0.50 0.00 0.00 175.29 175.56 1tei h LYS 138 N 7.11 0.00 -0.63 1.67 1.57 -1.94 -1.74 116.57 122.61 1tei h LYS 138 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1tei h LYS 138 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1tei h LYS 138 CO 1.22 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.70 1tei n ASP 139 N -2.50 3.40 -4.33 0.86 5.75 -1.26 -4.88 116.55 113.59 1tei n ASP 139 Ca -0.02 -2.00 -0.31 0.00 -0.01 0.00 0.00 54.79 52.46 1tei n ASP 139 Cb 0.22 -0.42 -0.15 0.00 -1.03 0.00 0.00 41.12 39.73 1tei n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1tei s LEU 140 N -1.02 2.11 -0.38 -2.12 1.43 -0.65 -0.15 118.68 117.90 1tei s LEU 140 Ca 0.43 -0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 52.91 1tei s LEU 140 Cb 0.22 -1.32 0.04 0.00 0.03 0.00 0.00 46.19 45.17 1tei s LEU 140 CO 0.29 0.29 0.20 -0.63 0.23 0.00 0.00 176.35 176.73 1tei s ILE 141 N -0.70 4.29 -0.11 -0.59 1.01 0.31 -4.83 121.20 120.57 1tei s ILE 141 Ca 0.11 -1.08 -0.20 0.00 0.00 0.00 0.00 60.65 59.48 1tei s ILE 141 Cb -0.10 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1tei s ILE 141 CO 0.00 -0.30 0.58 -0.76 0.00 0.00 0.00 174.94 174.46 1tei s LEU 142 N 1.48 4.27 0.18 2.97 1.43 -1.26 -1.36 118.68 126.39 1tei s LEU 142 Ca 0.01 0.94 0.11 0.00 -1.03 0.00 0.00 54.13 54.17 1tei s LEU 142 Cb -0.20 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 1tei s LEU 142 CO 0.04 -0.09 -0.24 -1.10 0.23 0.00 0.00 176.35 175.20 1tei s GLN 143 N 0.91 1.52 6.37 1.70 -0.21 0.13 -4.98 119.66 125.10 1tei s GLN 143 Ca 0.30 -1.48 0.00 0.00 0.02 0.00 0.00 55.36 54.20 1tei s GLN 143 Cb -0.16 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 31.98 1tei s GLN 143 CO 0.13 0.41 0.00 0.41 -2.12 0.00 0.00 175.29 174.12 1tei n GLY 144 N 0.39 2.44 0.69 3.09 0.00 -1.26 -1.68 105.19 108.84 1tei n GLY 144 Ca -0.14 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.54 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 3.63 2.00 -4.73 1.61 8.00 0.13 -4.94 116.55 122.25 1tei n ASP 145 Ca 0.00 -1.97 -0.42 0.00 0.71 0.00 0.00 54.79 53.11 1tei n ASP 145 Cb 0.00 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 40.83 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 -1.52 3.63 0.04 2.24 0.00 -1.13 -4.19 121.76 120.84 1tei s ALA 146 Ca 0.26 1.27 -0.04 0.00 0.00 0.00 0.00 51.96 53.45 1tei s ALA 146 Cb 0.14 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1tei s ALA 146 CO 0.18 -0.70 0.06 0.95 0.00 0.00 0.00 175.76 176.25 1tei s THR 147 N 0.36 0.15 0.31 0.00 -4.23 -0.57 -4.75 115.64 106.91 1tei s THR 147 Ca 0.61 -1.26 0.06 0.00 -1.18 0.00 0.00 61.69 59.92 1tei s THR 147 Cb -0.41 -1.01 -0.06 0.00 1.34 0.00 0.00 72.50 72.36 1tei s THR 147 CO 0.38 -0.69 -0.01 0.42 -0.54 0.00 0.00 174.62 174.18 1tei s THR 148 N -2.90 1.56 0.00 3.99 -4.23 -1.26 -0.81 115.64 111.99 1tei s THR 148 Ca -0.02 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 1tei s THR 148 Cb 0.01 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1tei s THR 148 CO -0.06 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1tei n GLY 149 N -0.67 2.59 3.56 3.99 0.00 -1.00 -4.49 105.19 109.17 1tei n GLY 149 Ca -0.04 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.34 3.22 -1.07 2.61 2.01 -1.26 -2.07 115.64 116.74 1tei s THR 150 Ca 0.00 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 61.92 1tei s THR 150 Cb 0.00 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.99 1tei s THR 150 CO 0.00 -0.50 0.00 0.47 -0.69 0.00 0.00 174.62 173.90 1tei n ASP 151 N 15.51 -3.94 -0.85 3.53 8.00 -1.26 -2.61 116.55 134.93 1tei n ASP 151 Ca 0.38 0.09 -0.10 0.00 0.71 0.00 0.00 54.79 55.87 1tei n ASP 151 Cb 0.48 -2.93 -0.03 0.00 -0.02 0.00 0.00 41.12 38.62 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 -1.20 0.75 3.73 0.44 0.00 -0.88 -4.98 105.19 103.06 1tei n GLY 152 Ca -0.13 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.79 4.31 -0.29 1.61 0.01 -1.07 -1.25 114.94 115.47 1tei s ASN 153 Ca 0.00 -1.20 -0.03 0.00 -0.71 0.00 0.00 52.86 50.91 1tei s ASN 153 Cb 0.00 -0.29 0.03 0.00 0.41 0.00 0.00 41.25 41.40 1tei s ASN 153 CO 0.00 -0.60 0.01 -0.22 -1.51 0.00 0.00 177.10 174.77 1tei s LEU 154 N -3.90 3.70 -0.53 0.60 2.96 -0.66 -2.37 118.68 118.48 1tei s LEU 154 Ca 0.36 -1.01 -0.18 0.00 -0.22 0.00 0.00 54.13 53.08 1tei s LEU 154 Cb 0.04 -1.75 0.09 0.00 0.50 0.00 0.00 46.19 45.07 1tei s LEU 154 CO 0.20 -0.21 0.57 -1.61 -1.32 0.00 0.00 176.35 173.98 1tei s GLU 155 N 1.34 3.04 0.33 1.98 0.41 0.01 -0.57 118.70 125.24 1tei s GLU 155 Ca -0.01 -1.27 0.03 0.00 -0.41 0.00 0.00 54.97 53.31 1tei s GLU 155 Cb -0.18 -4.19 0.56 0.00 -1.78 0.00 0.00 34.13 28.54 1tei s GLU 155 CO -0.01 -1.29 1.88 -0.07 -0.49 0.00 0.00 175.26 175.28 1tei h LEU 156 N 9.43 0.59 -9.09 1.80 3.38 -1.75 -1.53 115.31 118.15 1tei h LEU 156 Ca -0.29 -0.09 -0.63 0.00 0.09 0.00 0.00 57.88 56.96 1tei h LEU 156 Cb 1.10 -0.15 -0.17 0.00 0.09 0.00 0.00 40.66 41.52 1tei h LEU 156 CO 1.00 0.60 -0.80 0.42 0.09 0.00 0.00 178.44 179.75 1tei s THR 157 N -5.13 2.37 0.16 0.22 -4.23 -1.26 -2.90 115.64 104.87 1tei s THR 157 Ca -0.08 -2.16 -0.34 0.00 -1.18 0.00 0.00 61.69 57.92 1tei s THR 157 Cb 0.16 -2.17 -0.14 0.00 1.34 0.00 0.00 72.50 71.68 1tei s THR 157 CO 0.77 -0.23 1.48 -1.14 -0.54 0.00 0.00 174.62 174.96 1tei n ARG 158 N -0.05 1.90 -4.04 3.99 0.63 -1.26 -4.78 116.66 113.06 1tei n ARG 158 Ca -0.10 0.68 -0.13 0.00 -0.92 0.00 0.00 57.85 57.39 1tei n ARG 158 Cb 0.57 -2.39 -0.12 0.00 0.45 0.00 0.00 32.46 30.97 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 0.58 0.32 0.88 5.15 1.01 -1.26 -2.27 120.40 124.81 1tei s VAL 159 Ca 0.77 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 1tei s VAL 159 Cb -0.73 -0.37 0.19 0.00 0.00 0.00 0.00 36.38 35.48 1tei s VAL 159 CO 0.43 -0.22 1.21 -0.94 0.00 0.00 0.00 175.10 175.57 1tei s SER 160 N -0.93 3.43 0.12 3.32 1.04 -0.22 -4.95 113.70 115.51 1tei s SER 160 Ca -0.07 -0.16 -0.20 0.00 0.48 0.00 0.00 55.95 56.00 1tei s SER 160 Cb -0.06 0.08 -0.06 0.00 0.10 0.00 0.00 66.02 66.07 1tei s SER 160 CO -0.00 -2.50 1.76 0.77 0.98 0.00 0.00 173.24 174.25 1tei h SER 161 N -1.24 0.13 0.47 7.02 4.64 -2.03 -1.43 113.55 121.11 1tei h SER 161 Ca -0.39 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1tei h SER 161 Cb 1.23 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1tei h SER 161 CO 0.34 0.10 0.00 -0.46 -0.87 0.00 0.00 176.83 175.94 1tei n ASN 162 N -5.01 0.00 0.00 4.97 0.23 -1.26 -4.90 115.26 109.29 1tei n ASN 162 Ca -0.03 0.24 0.00 0.00 -0.53 0.00 0.00 54.58 54.26 1tei n ASN 162 Cb 0.05 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 37.37 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 0.30 0.40 3.78 4.83 0.00 -0.54 -5.10 105.19 108.86 1tei n GLY 163 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.09 7.34 0.56 1.61 1.04 -1.26 -4.68 113.70 116.22 1tei s SER 164 Ca 0.00 1.83 -0.17 0.00 0.48 0.00 0.00 55.95 58.09 1tei s SER 164 Cb 0.00 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 1tei s SER 164 CO 0.00 -0.07 1.05 -2.16 0.98 0.00 0.00 173.24 173.04 1tei s PRO 165 N -2.05 3.47 0.07 4.02 0.04 -1.26 -1.06 135.00 138.23 1tei s PRO 165 Ca 0.50 1.23 0.06 0.00 0.04 0.00 0.00 61.00 62.83 1tei s PRO 165 Cb -0.19 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1tei s PRO 165 CO 0.24 -0.69 -0.08 -0.65 0.04 0.00 0.00 177.00 175.86 1tei s GLN 166 N -3.86 2.32 0.75 4.56 -1.52 -0.96 -4.86 119.66 116.08 1tei s GLN 166 Ca 0.64 -0.91 -0.10 0.00 -1.95 0.00 0.00 55.36 53.04 1tei s GLN 166 Cb -0.16 -2.40 0.06 0.00 -0.22 0.00 0.00 33.01 30.29 1tei s GLN 166 CO 0.32 0.54 1.11 0.20 -0.25 0.00 0.00 175.29 177.21 1tei s GLY 167 N -1.98 1.62 -1.02 3.09 0.00 -1.26 -4.42 107.32 103.35 1tei s GLY 167 Ca 0.21 -0.66 -0.15 0.00 0.00 0.00 0.00 44.72 44.11 1tei s GLY 167 CO 0.13 -0.23 0.72 1.44 0.00 0.00 0.00 173.10 175.16 1tei n SER 168 N -3.12 -5.42 -3.94 1.64 7.64 -0.65 -4.88 113.62 104.89 1tei n SER 168 Ca 0.08 -0.91 -0.15 0.00 1.01 0.00 0.00 58.87 58.90 1tei n SER 168 Cb 0.60 -3.01 -0.14 0.00 -1.01 0.00 0.00 64.21 60.64 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 -3.29 0.47 0.00 6.43 0.15 -1.21 -4.96 113.70 111.28 1tei s SER 169 Ca 0.30 -0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.87 1tei s SER 169 Cb -0.12 -0.05 -0.00 0.00 -1.71 0.00 0.00 66.02 64.14 1tei s SER 169 CO 0.87 0.04 -0.02 0.68 1.20 0.00 0.00 173.24 176.01 1tei s VAL 170 N -0.14 0.15 -0.04 4.45 -7.23 -1.26 -0.88 120.40 115.46 1tei s VAL 170 Ca 0.01 -0.13 -0.25 0.00 -1.81 0.00 0.00 61.98 59.80 1tei s VAL 170 Cb -0.02 -0.14 0.05 0.00 0.56 0.00 0.00 36.38 36.83 1tei s VAL 170 CO -0.00 0.01 0.54 -0.83 -0.31 0.00 0.00 175.10 174.51 1tei s GLY 171 N -0.12 -0.42 0.07 2.32 0.00 -1.00 0.18 107.32 108.35 1tei s GLY 171 Ca -0.00 0.95 -0.06 0.00 0.00 0.00 0.00 44.72 45.61 1tei s GLY 171 CO -0.00 0.65 0.11 0.50 0.00 0.00 0.00 173.10 174.36 1tei s ARG 172 N -1.23 0.73 -0.13 2.90 0.52 -0.68 -2.12 118.95 118.94 1tei s ARG 172 Ca -0.12 -0.99 -0.04 0.00 -0.52 0.00 0.00 55.73 54.06 1tei s ARG 172 Cb -0.02 0.28 0.06 0.00 0.52 0.00 0.00 34.95 35.80 1tei s ARG 172 CO 0.08 -0.20 0.21 0.00 0.02 0.00 0.00 175.30 175.41 1tei s ALA 173 N -3.63 -0.33 0.03 2.13 0.00 -0.56 -0.69 121.76 118.71 1tei s ALA 173 Ca 0.04 0.62 0.06 0.00 0.00 0.00 0.00 51.96 52.68 1tei s ALA 173 Cb 0.05 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 1tei s ALA 173 CO -0.09 -0.74 -0.15 -0.51 0.00 0.00 0.00 175.76 174.26 1tei s LEU 174 N 2.35 2.76 0.26 0.00 1.02 -0.46 -0.89 118.68 123.72 1tei s LEU 174 Ca 0.03 -0.36 -0.29 0.00 0.02 0.00 0.00 54.13 53.53 1tei s LEU 174 Cb -0.13 -1.60 -0.09 0.00 0.02 0.00 0.00 46.19 44.38 1tei s LEU 174 CO -0.08 0.26 1.22 0.12 0.02 0.00 0.00 176.35 177.89 1tei s PHE 175 N -0.95 3.33 0.14 0.29 5.36 -0.65 -0.53 117.98 124.97 1tei s PHE 175 Ca 0.15 1.46 -0.26 0.00 -0.96 0.00 0.00 56.93 57.32 1tei s PHE 175 Cb -0.11 -3.50 -0.02 0.00 -0.34 0.00 0.00 43.02 39.06 1tei s PHE 175 CO 0.06 -1.34 1.60 -0.92 -1.46 0.00 0.00 175.22 173.16 1tei h TYR 176 N 4.31 -0.95 -3.80 10.12 -0.00 -0.87 -3.43 116.97 122.34 1tei h TYR 176 Ca -0.46 0.04 -0.51 0.00 -0.00 0.00 0.00 58.73 57.80 1tei h TYR 176 Cb 1.22 0.44 0.02 0.00 -0.00 0.00 0.00 36.73 38.41 1tei h TYR 176 CO 0.59 -0.41 0.48 0.00 -0.00 0.00 0.00 178.16 178.82 1tei s ALA 177 N -5.98 3.41 0.67 1.82 0.00 -1.26 -5.02 121.76 115.41 1tei s ALA 177 Ca -0.15 0.92 -0.15 0.00 0.00 0.00 0.00 51.96 52.57 1tei s ALA 177 Cb 0.11 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.90 1tei s ALA 177 CO 0.66 -0.18 1.15 -2.14 0.00 0.00 0.00 175.76 175.24 1tei s PRO 178 N -1.44 2.63 -0.09 0.00 0.02 -1.26 -4.82 135.00 130.04 1tei s PRO 178 Ca 0.45 1.55 0.03 0.00 0.02 0.00 0.00 61.00 63.05 1tei s PRO 178 Cb -0.32 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.27 1tei s PRO 178 CO 0.42 -1.41 -0.20 0.08 -0.33 0.00 0.00 177.00 175.56 1tei s VAL 179 N -2.15 2.50 -0.94 3.83 1.01 0.12 -4.94 120.40 119.83 1tei s VAL 179 Ca 0.70 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 1tei s VAL 179 Cb -0.24 -1.98 0.12 0.00 0.00 0.00 0.00 36.38 34.29 1tei s VAL 179 CO 0.41 0.56 1.17 -2.28 0.00 0.00 0.00 175.10 174.95 1tei s HIS 180 N 0.05 3.06 0.32 5.22 2.46 -1.26 -1.02 115.29 124.11 1tei s HIS 180 Ca -0.08 -1.34 0.18 0.00 0.47 0.00 0.00 55.06 54.29 1tei s HIS 180 Cb -0.15 -4.33 0.88 0.00 -0.13 0.00 0.00 32.58 28.85 1tei s HIS 180 CO 0.05 -1.54 1.85 0.97 -2.47 0.00 0.00 174.74 173.61 1tei h ILE 181 N 5.93 0.98 -2.95 0.89 6.09 -1.70 -3.47 117.51 123.29 1tei h ILE 181 Ca 0.16 -1.18 0.02 0.00 -1.37 0.00 0.00 64.86 62.49 1tei h ILE 181 Cb 1.02 1.68 -0.10 0.00 0.47 0.00 0.00 36.82 39.90 1tei h ILE 181 CO 1.14 0.31 0.23 -1.66 -3.07 0.00 0.00 178.15 175.11 1tei s TRP 182 N -4.01 -0.41 -0.20 2.19 1.48 -1.23 -4.79 118.94 111.96 1tei s TRP 182 Ca -0.02 0.11 -0.16 0.00 -1.06 0.00 0.00 56.10 54.98 1tei s TRP 182 Cb 0.13 0.61 0.06 0.00 -1.16 0.00 0.00 33.47 33.11 1tei s TRP 182 CO 0.68 -0.97 0.52 -2.00 -4.06 0.00 0.00 176.95 171.13 1tei s GLU 183 N -3.77 0.58 0.58 3.25 2.12 -1.26 -4.78 118.70 115.42 1tei s GLU 183 Ca 0.05 0.82 0.28 0.00 0.36 0.00 0.00 54.97 56.48 1tei s GLU 183 Cb -0.03 0.20 1.52 0.00 0.26 0.00 0.00 34.13 36.08 1tei s GLU 183 CO -0.06 -0.11 1.97 0.66 -0.54 0.00 0.00 175.26 177.19 1tei h SER 184 N 6.00 0.00 -0.61 -1.70 4.64 -2.02 -1.59 113.55 118.27 1tei h SER 184 Ca -0.30 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.95 1tei h SER 184 Cb 1.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 1tei h SER 184 CO 0.20 0.00 0.08 -1.54 -0.87 0.00 0.00 176.83 174.70 1tei n SER 185 N -3.87 5.39 -4.70 4.97 3.41 -1.26 -4.94 113.62 112.62 1tei n SER 185 Ca 0.07 -3.04 -0.37 0.00 -0.26 0.00 0.00 58.87 55.27 1tei n SER 185 Cb 0.56 -0.70 -0.07 0.00 -0.26 0.00 0.00 64.21 63.74 1tei n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tei s ALA 186 N -2.85 3.54 0.07 7.33 0.00 -0.60 -3.08 121.76 126.18 1tei s ALA 186 Ca 0.54 -0.40 -0.16 0.00 0.00 0.00 0.00 51.96 51.94 1tei s ALA 186 Cb 0.42 -2.56 -0.14 0.00 0.00 0.00 0.00 23.12 20.85 1tei s ALA 186 CO 0.15 -0.08 1.32 0.28 0.00 0.00 0.00 175.76 177.43 1tei h VAL 187 N 4.83 1.33 -3.45 0.00 2.07 0.97 -3.45 116.25 118.55 1tei h VAL 187 Ca -0.39 -1.67 -0.21 0.00 0.82 0.00 0.00 66.70 65.25 1tei h VAL 187 Cb 1.17 1.90 -0.28 0.00 -1.52 0.00 0.00 31.29 32.56 1tei h VAL 187 CO 0.74 0.52 -0.60 -0.69 0.02 0.00 0.00 177.57 177.56 1tei s VAL 188 N -3.99 -0.01 -0.01 2.57 1.01 -1.11 -4.86 120.40 114.00 1tei s VAL 188 Ca -0.12 0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1tei s VAL 188 Cb 0.07 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.29 1tei s VAL 188 CO 0.83 0.01 -0.03 0.00 0.00 0.00 0.00 175.10 175.91 1tei s ALA 189 N 0.20 0.35 0.14 5.51 0.00 -1.26 -0.30 121.76 126.40 1tei s ALA 189 Ca -0.01 -0.09 -0.23 0.00 0.00 0.00 0.00 51.96 51.63 1tei s ALA 189 Cb -0.02 -0.16 0.07 0.00 0.00 0.00 0.00 23.12 23.01 1tei s ALA 189 CO -0.01 0.04 0.58 -1.54 0.00 0.00 0.00 175.76 174.84 1tei s SER 190 N 0.21 -0.53 0.15 0.00 1.04 -0.39 0.06 113.70 114.23 1tei s SER 190 Ca -0.02 0.01 -0.10 0.00 0.48 0.00 0.00 55.95 56.32 1tei s SER 190 Cb -0.05 0.58 -0.00 0.00 0.10 0.00 0.00 66.02 66.65 1tei s SER 190 CO -0.00 -0.93 0.29 0.72 0.98 0.00 0.00 173.24 174.30 1tei s PHE 191 N -3.56 0.25 -0.17 5.02 -0.12 -0.74 -0.65 117.98 118.00 1tei s PHE 191 Ca 0.00 -0.63 -0.12 0.00 -0.05 0.00 0.00 56.93 56.14 1tei s PHE 191 Cb -0.01 0.01 0.05 0.00 -0.63 0.00 0.00 43.02 42.44 1tei s PHE 191 CO -0.11 -0.70 0.43 -2.00 -0.05 0.00 0.00 175.22 172.79 1tei s GLU 192 N -3.92 0.45 0.06 1.99 2.12 0.21 -2.17 118.70 117.43 1tei s GLU 192 Ca 0.13 0.72 0.05 0.00 0.36 0.00 0.00 54.97 56.23 1tei s GLU 192 Cb 0.03 0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.49 1tei s GLU 192 CO -0.04 -0.12 -0.14 0.00 -0.54 0.00 0.00 175.26 174.43 1tei s ALA 193 N 0.92 1.17 -0.13 6.30 0.00 0.01 -0.96 121.76 129.07 1tei s ALA 193 Ca -0.06 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 50.86 1tei s ALA 193 Cb -0.06 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 22.97 1tei s ALA 193 CO -0.07 0.18 0.32 0.99 0.00 0.00 0.00 175.76 177.18 1tei s THR 194 N -1.14 -0.01 -0.06 0.00 2.01 -0.34 -0.82 115.64 115.27 1tei s THR 194 Ca -0.01 0.03 -0.21 0.00 0.31 0.00 0.00 61.69 61.81 1tei s THR 194 Cb -0.09 -0.47 0.04 0.00 0.01 0.00 0.00 72.50 72.00 1tei s THR 194 CO 0.02 0.01 0.48 0.72 -0.69 0.00 0.00 174.62 175.16 1tei s PHE 195 N 0.49 -0.42 -0.11 4.92 -0.12 -0.74 -0.53 117.98 121.47 1tei s PHE 195 Ca -0.03 0.78 -0.00 0.00 -0.05 0.00 0.00 56.93 57.63 1tei s PHE 195 Cb -0.04 0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.55 1tei s PHE 195 CO -0.03 -0.45 -0.10 0.95 -0.05 0.00 0.00 175.22 175.55 1tei s THR 196 N -0.98 3.39 0.32 -4.49 -4.23 -0.79 -0.87 115.64 107.99 1tei s THR 196 Ca -0.10 -0.56 0.05 0.00 -1.18 0.00 0.00 61.69 59.90 1tei s THR 196 Cb -0.03 -2.42 -0.06 0.00 1.34 0.00 0.00 72.50 71.32 1tei s THR 196 CO 0.06 0.54 0.03 0.72 -0.54 0.00 0.00 174.62 175.42 1tei s PHE 197 N 0.00 2.02 -0.22 3.99 -0.71 -0.68 -0.48 117.98 121.89 1tei s PHE 197 Ca -0.02 -0.87 -0.04 0.00 -1.04 0.00 0.00 56.93 54.96 1tei s PHE 197 Cb -0.14 -1.30 0.08 0.00 -1.21 0.00 0.00 43.02 40.45 1tei s PHE 197 CO 0.04 0.12 0.11 -1.17 -1.34 0.00 0.00 175.22 172.97 1tei s LEU 198 N -3.50 0.40 -0.35 -1.99 2.96 -0.18 -0.90 118.68 115.12 1tei s LEU 198 Ca 0.35 -0.89 -0.11 0.00 -0.22 0.00 0.00 54.13 53.25 1tei s LEU 198 Cb 0.08 -0.26 0.01 0.00 0.50 0.00 0.00 46.19 46.52 1tei s LEU 198 CO 0.15 -0.39 0.20 -0.63 -1.32 0.00 0.00 176.35 174.36 1tei s ILE 199 N 2.13 4.73 -0.06 6.68 1.01 -1.26 -2.67 121.20 131.76 1tei s ILE 199 Ca 0.05 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.15 1tei s ILE 199 Cb -0.16 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 1tei s ILE 199 CO -0.21 -0.11 -0.23 -0.75 0.00 0.00 0.00 174.94 173.64 1tei s LYS 200 N 1.61 2.38 -0.04 2.79 2.20 -1.23 -0.50 119.74 126.95 1tei s LYS 200 Ca 0.04 -0.82 -0.01 0.00 -0.36 0.00 0.00 55.97 54.82 1tei s LYS 200 Cb -0.18 -2.00 0.03 0.00 -1.51 0.00 0.00 37.83 34.17 1tei s LYS 200 CO 0.07 0.32 0.08 0.45 -0.36 0.00 0.00 175.35 175.91 1tei s SER 201 N -0.05 -0.01 0.23 1.43 0.15 -1.26 0.23 113.70 114.41 1tei s SER 201 Ca -0.05 0.15 0.21 0.00 0.70 0.00 0.00 55.95 56.96 1tei s SER 201 Cb -0.14 0.05 0.04 0.00 -1.71 0.00 0.00 66.02 64.27 1tei s SER 201 CO 0.04 -0.13 1.13 1.55 1.20 0.00 0.00 173.24 177.03 1tei h PRO 202 N 7.18 0.00 -6.04 5.44 0.14 -1.99 -3.48 132.00 133.25 1tei h PRO 202 Ca -0.43 0.00 -0.55 0.00 0.14 0.00 0.00 66.00 65.16 1tei h PRO 202 Cb 1.13 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 32.25 1tei h PRO 202 CO 0.46 0.07 -0.47 0.16 0.14 0.00 0.00 178.00 178.35 1tei s ASP 203 N -5.64 6.30 0.01 1.44 -4.77 -1.26 -5.04 116.67 107.71 1tei s ASP 203 Ca 0.01 0.16 -0.01 0.00 -3.30 0.00 0.00 52.55 49.41 1tei s ASP 203 Cb 0.08 -1.89 -0.00 0.00 -1.09 0.00 0.00 42.92 40.02 1tei s ASP 203 CO 0.77 0.06 0.05 -1.54 0.70 0.00 0.00 175.17 175.21 1tei n SER 204 N -0.46 -0.03 -3.82 2.11 3.41 -1.26 -3.87 113.62 109.69 1tei n SER 204 Ca -0.07 0.06 -0.26 0.00 -0.26 0.00 0.00 58.87 58.33 1tei n SER 204 Cb 0.54 -0.01 -0.17 0.00 -0.26 0.00 0.00 64.21 64.31 1tei n SER 204 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1tei s HIS 205 N -5.02 1.21 0.87 7.33 3.76 -1.26 -5.12 115.29 117.06 1tei s HIS 205 Ca -0.00 -0.70 -0.10 0.00 -0.15 0.00 0.00 55.06 54.10 1tei s HIS 205 Cb 0.00 -1.09 0.12 0.00 1.11 0.00 0.00 32.58 32.73 1tei s HIS 205 CO 0.02 -0.51 1.13 -2.14 -0.85 0.00 0.00 174.74 172.39 1tei s PRO 206 N 1.80 1.39 -0.09 8.40 0.02 -1.25 -4.62 135.00 140.64 1tei s PRO 206 Ca 0.02 1.45 -0.30 0.00 0.02 0.00 0.00 61.00 62.19 1tei s PRO 206 Cb -0.14 -1.78 0.11 0.00 0.02 0.00 0.00 34.50 32.71 1tei s PRO 206 CO -0.07 -2.34 0.91 0.00 -0.33 0.00 0.00 177.00 175.16 1tei s ALA 207 N -2.71 -1.87 -0.02 -1.55 0.00 -1.23 -3.93 121.76 110.45 1tei s ALA 207 Ca 0.65 1.34 0.08 0.00 0.00 0.00 0.00 51.96 54.04 1tei s ALA 207 Cb -0.21 -0.21 -0.12 0.00 0.00 0.00 0.00 23.12 22.57 1tei s ALA 207 CO 0.57 -0.45 0.16 -0.25 0.00 0.00 0.00 175.76 175.79 1tei n ASP 208 N 0.43 3.13 0.00 0.00 9.92 0.21 -2.86 116.55 127.37 1tei n ASP 208 Ca -0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 1tei n ASP 208 Cb 0.59 1.27 0.00 0.00 -0.64 0.00 0.00 41.12 42.34 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 2.11 1.84 3.28 0.44 0.00 -1.23 -2.13 105.19 109.51 1tei n GLY 209 Ca -0.03 -1.76 -0.23 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.54 1.67 -0.08 -0.61 1.01 -0.64 -2.84 121.20 118.17 1tei s ILE 210 Ca 0.00 -1.61 -0.07 0.00 0.00 0.00 0.00 60.65 58.96 1tei s ILE 210 Cb 0.00 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.91 1tei s ILE 210 CO 0.00 -0.14 0.21 0.00 0.00 0.00 0.00 174.94 175.01 1tei s ALA 211 N -1.40 -0.53 -0.16 9.38 0.00 0.27 0.10 121.76 129.43 1tei s ALA 211 Ca 0.08 0.60 -0.08 0.00 0.00 0.00 0.00 51.96 52.56 1tei s ALA 211 Cb -0.09 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1tei s ALA 211 CO 0.05 -0.10 0.12 0.12 0.00 0.00 0.00 175.76 175.94 1tei s PHE 212 N 0.12 3.44 0.11 0.00 5.36 -0.43 -0.37 117.98 126.21 1tei s PHE 212 Ca -0.00 0.36 -0.04 0.00 -0.96 0.00 0.00 56.93 56.29 1tei s PHE 212 Cb -0.01 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.60 1tei s PHE 212 CO 0.00 0.45 0.11 -0.59 -1.46 0.00 0.00 175.22 173.73 1tei s PHE 213 N -0.24 0.58 -0.05 10.12 -0.71 0.44 -1.04 117.98 127.08 1tei s PHE 213 Ca 0.10 -1.00 0.03 0.00 -1.04 0.00 0.00 56.93 55.03 1tei s PHE 213 Cb -0.12 -0.30 0.00 0.00 -1.21 0.00 0.00 43.02 41.40 1tei s PHE 213 CO 0.01 -0.54 -0.15 0.42 -1.34 0.00 0.00 175.22 173.63 1tei s ILE 214 N -3.97 1.28 0.34 -4.49 1.01 0.14 -0.62 121.20 114.88 1tei s ILE 214 Ca 0.16 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.19 1tei s ILE 214 Cb 0.06 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.41 1tei s ILE 214 CO -0.03 0.38 0.46 -0.94 0.00 0.00 0.00 174.94 174.81 1tei s SER 215 N 0.35 0.92 0.46 3.58 1.04 -0.38 -2.04 113.70 117.63 1tei s SER 215 Ca -0.10 -1.48 -0.23 0.00 0.48 0.00 0.00 55.95 54.62 1tei s SER 215 Cb -0.13 0.65 -0.07 0.00 0.10 0.00 0.00 66.02 66.57 1tei s SER 215 CO 0.03 -1.28 1.23 0.54 0.98 0.00 0.00 173.24 174.74 1tei s ASN 216 N -3.24 6.04 0.31 7.02 4.22 -1.23 -0.84 114.94 127.22 1tei s ASN 216 Ca 0.31 2.48 0.06 0.00 -2.14 0.00 0.00 52.86 53.56 1tei s ASN 216 Cb -0.00 -2.62 0.86 0.00 1.28 0.00 0.00 41.25 40.77 1tei s ASN 216 CO 0.20 -1.02 1.61 0.40 -2.04 0.00 0.00 177.10 176.25 1tei h ILE 217 N 1.95 0.15 -0.30 0.54 2.04 -1.85 -1.85 117.51 118.19 1tei h ILE 217 Ca -0.50 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1tei h ILE 217 Cb 1.26 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1tei h ILE 217 CO 0.60 0.02 0.00 -0.90 0.00 0.00 0.00 178.15 177.87 1tei n ASP 218 N -5.32 2.56 -4.74 1.72 5.75 -1.26 -4.85 116.55 110.41 1tei n ASP 218 Ca 0.26 -2.24 -0.38 0.00 -0.01 0.00 0.00 54.79 52.42 1tei n ASP 218 Cb 0.84 -0.43 0.05 0.00 -1.03 0.00 0.00 41.12 40.55 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 0.38 2.59 -3.87 -1.12 2.88 -0.70 -5.04 113.62 108.74 1tei n SER 219 Ca 0.12 0.96 -0.09 0.00 -1.33 0.00 0.00 58.87 58.52 1tei n SER 219 Cb 0.51 -1.57 -0.07 0.00 -0.75 0.00 0.00 64.21 62.32 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 -0.98 0.05 -0.06 -3.46 1.04 -1.26 -5.07 113.70 103.95 1tei s SER 220 Ca 0.73 -0.70 -0.30 0.00 0.48 0.00 0.00 55.95 56.16 1tei s SER 220 Cb -0.41 0.40 -0.09 0.00 0.10 0.00 0.00 66.02 66.02 1tei s SER 220 CO 0.48 -0.81 2.03 -0.38 0.98 0.00 0.00 173.24 175.54 1tei n ILE 221 N -0.14 0.61 -1.78 -1.02 5.41 -1.26 -4.95 119.36 116.23 1tei n ILE 221 Ca -0.12 -0.22 -0.36 0.00 1.00 0.00 0.00 62.75 63.05 1tei n ILE 221 Cb 0.63 -2.28 0.06 0.00 -0.71 0.00 0.00 39.64 37.34 1tei n ILE 221 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1tei s PRO 222 N 4.96 2.62 0.10 0.38 0.02 -1.26 -4.90 135.00 136.92 1tei s PRO 222 Ca 0.94 1.95 -0.31 0.00 0.02 0.00 0.00 61.00 63.60 1tei s PRO 222 Cb -0.47 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.09 1tei s PRO 222 CO 0.42 -1.52 1.60 0.45 -0.33 0.00 0.00 177.00 177.62 1tei s SER 223 N -1.55 6.62 -0.81 2.53 0.15 -1.26 -2.93 113.70 116.46 1tei s SER 223 Ca 0.80 2.51 -0.03 0.00 0.70 0.00 0.00 55.95 59.92 1tei s SER 223 Cb -0.34 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.40 1tei s SER 223 CO 0.38 -0.84 0.44 0.61 1.20 0.00 0.00 173.24 175.04 1tei n GLY 224 N 3.86 0.07 2.20 9.45 0.00 -1.26 -4.93 105.19 114.59 1tei n GLY 224 Ca 0.15 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.70 5.45 -2.88 1.61 3.41 -1.15 -4.94 113.62 114.43 1tei n SER 225 Ca -0.04 -3.59 -0.11 0.00 -0.26 0.00 0.00 58.87 54.87 1tei n SER 225 Cb 0.55 -0.90 0.07 0.00 -0.26 0.00 0.00 64.21 63.68 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 -0.91 0.00 -4.63 6.66 -2.24 -1.26 -0.15 114.28 111.74 1tei n THR 226 Ca 0.57 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1tei n THR 226 Cb 1.17 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 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 1.60 2.87 0.07 3.38 0.00 0.72 -2.76 105.19 111.07 1tei n GLY 227 Ca 0.07 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 13.88 0.05 0.02 1.61 1.85 -1.26 -2.17 116.66 130.63 1tei n ARG 228 Ca 0.00 0.50 0.13 0.00 -1.00 0.00 0.00 57.85 57.48 1tei n ARG 228 Cb 0.00 -1.75 0.40 0.00 -1.05 0.00 0.00 32.46 30.05 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 -1.73 0.36 -1.99 2.89 4.77 -1.11 -4.97 117.00 115.22 1tei n LEU 229 Ca -0.00 0.28 -0.17 0.00 -0.03 0.00 0.00 56.01 56.08 1tei n LEU 229 Cb 0.10 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 1tei n LEU 229 CO 0.03 0.02 -0.19 0.18 -1.33 0.00 0.00 177.39 176.10 1tei n LEU 230 N -1.65 -1.44 -1.26 2.23 4.77 -0.92 -2.05 117.00 116.67 1tei n LEU 230 Ca 0.06 0.24 -0.16 0.00 -0.03 0.00 0.00 56.01 56.12 1tei n LEU 230 Cb 0.36 -2.54 -0.06 0.00 -2.33 0.00 0.00 43.42 38.85 1tei n LEU 230 CO 0.32 -0.52 -0.15 0.61 -1.33 0.00 0.00 177.39 176.32 1tei n GLY 231 N -0.64 1.47 0.00 -0.72 0.00 0.78 -4.10 105.19 101.98 1tei n GLY 231 Ca -0.19 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.84 2.59 -4.60 0.99 4.77 -0.87 -4.54 117.00 113.51 1tei n LEU 232 Ca -0.16 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.50 1tei n LEU 232 Cb 0.53 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1tei n LEU 232 CO 0.24 0.43 -0.38 -0.36 -1.33 0.00 0.00 177.39 175.99 1tei s PHE 233 N -1.99 2.90 0.23 -1.77 0.08 -1.14 -4.81 117.98 111.49 1tei s PHE 233 Ca 0.00 -0.03 0.05 0.00 0.12 0.00 0.00 56.93 57.07 1tei s PHE 233 Cb 0.00 -1.61 0.23 0.00 -0.57 0.00 0.00 43.02 41.06 1tei s PHE 233 CO 0.00 0.38 1.54 -1.00 -0.10 0.00 0.00 175.22 176.04 1tei h PRO 234 N 4.54 0.19 0.00 0.24 0.13 -1.92 -3.43 132.00 131.75 1tei h PRO 234 Ca -0.48 -0.14 -0.28 0.00 -0.87 0.00 0.00 66.00 64.22 1tei h PRO 234 Cb 1.17 0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1tei h PRO 234 CO 0.54 0.77 -0.24 -0.40 -0.23 0.00 0.00 178.00 178.44 1tei n ASP 235 N -3.82 -0.68 -2.20 1.44 5.68 -1.26 -4.92 116.55 110.79 1tei n ASP 235 Ca -0.02 -2.47 -0.25 0.00 -0.50 0.00 0.00 54.79 51.55 1tei n ASP 235 Cb 0.65 1.42 0.16 0.00 -1.14 0.00 0.00 41.12 42.21 1tei n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1tei n ALA 236 N -1.38 5.68 1.50 2.12 0.00 -1.26 -4.72 120.51 122.44 1tei n ALA 236 Ca -0.09 -3.01 0.12 0.00 0.00 0.00 0.00 53.44 50.46 1tei n ALA 236 Cb 0.42 -1.47 0.71 0.00 0.00 0.00 0.00 19.45 19.11 1tei n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59