#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a7a s ASP 2 N 0.00 2.81 -0.17 0.00 1.01 -1.26 -5.04 116.67 114.02 2a7a s ASP 2 Ca 0.00 1.31 -0.04 0.00 0.71 0.00 0.00 52.55 54.53 2a7a s ASP 2 Cb 0.00 -1.99 -0.03 0.00 1.01 0.00 0.00 42.92 41.92 2a7a s ASP 2 CO 0.00 -3.03 -0.02 -0.89 0.21 0.00 0.00 175.17 171.44 2a7a s THR 3 N -2.93 3.98 -0.06 -1.27 2.01 -1.26 -5.02 115.64 111.08 2a7a s THR 3 Ca 0.65 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 62.36 2a7a s THR 3 Cb -0.19 -2.76 0.01 0.00 0.01 0.00 0.00 72.50 69.57 2a7a s THR 3 CO 0.58 0.48 -0.15 -0.63 -0.69 0.00 0.00 174.62 174.20 2a7a s ILE 4 N 0.47 1.35 -0.10 1.82 -1.09 -1.26 -3.26 121.20 119.14 2a7a s ILE 4 Ca -0.03 -0.63 0.04 0.00 -2.23 0.00 0.00 60.65 57.81 2a7a s ILE 4 Cb -0.14 -1.20 -0.00 0.00 -1.58 0.00 0.00 42.46 39.54 2a7a s ILE 4 CO 0.02 0.40 -0.24 -0.69 -1.23 0.00 0.00 174.94 173.21 2a7a s VAL 5 N 0.41 2.09 0.02 2.92 1.01 -0.56 -0.58 120.40 125.72 2a7a s VAL 5 Ca -0.12 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 60.75 2a7a s VAL 5 Cb -0.15 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.45 2a7a s VAL 5 CO 0.04 0.56 0.21 0.00 0.00 0.00 0.00 175.10 175.91 2a7a s ALA 6 N 0.32 -0.44 -0.24 5.51 0.00 0.35 -0.33 121.76 126.93 2a7a s ALA 6 Ca -0.18 -0.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 2a7a s ALA 6 Cb -0.18 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2a7a s ALA 6 CO 0.09 -0.31 0.04 0.08 0.00 0.00 0.00 175.76 175.66 2a7a s VAL 7 N -2.06 4.08 -0.13 0.00 1.01 0.12 -0.46 120.40 122.95 2a7a s VAL 7 Ca -0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 2a7a s VAL 7 Cb -0.03 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2a7a s VAL 7 CO -0.01 0.37 0.10 -1.83 0.00 0.00 0.00 175.10 173.73 2a7a s GLU 8 N 1.52 3.51 -0.59 2.72 -1.05 0.39 -1.51 118.70 123.70 2a7a s GLU 8 Ca 0.06 -0.22 -0.11 0.00 -0.15 0.00 0.00 54.97 54.55 2a7a s GLU 8 Cb -0.15 -3.15 0.15 0.00 -0.44 0.00 0.00 34.13 30.54 2a7a s GLU 8 CO 0.02 0.65 0.49 -0.51 0.95 0.00 0.00 175.26 176.85 2a7a s LEU 9 N -0.66 5.99 -0.37 1.83 1.43 0.15 -0.67 118.68 126.38 2a7a s LEU 9 Ca 0.12 -2.19 -0.14 0.00 -1.03 0.00 0.00 54.13 50.90 2a7a s LEU 9 Cb -0.12 -2.08 -0.00 0.00 0.03 0.00 0.00 46.19 44.02 2a7a s LEU 9 CO 0.02 -0.66 0.26 -0.62 0.23 0.00 0.00 176.35 175.59 2a7a s ASP 10 N 2.50 6.07 0.01 2.29 -1.08 0.32 -1.52 116.67 125.26 2a7a s ASP 10 Ca 0.09 -0.64 0.25 0.00 -0.52 0.00 0.00 52.55 51.74 2a7a s ASP 10 Cb -0.23 -2.14 0.45 0.00 -1.46 0.00 0.00 42.92 39.54 2a7a s ASP 10 CO -0.02 -0.33 1.38 0.35 0.52 0.00 0.00 175.17 177.07 2a7a n THR 11 N 5.13 0.04 -4.05 1.71 -2.24 -0.56 -1.24 114.28 113.05 2a7a n THR 11 Ca -0.12 -0.03 -0.28 0.00 -2.27 0.00 0.00 64.05 61.34 2a7a n THR 11 Cb 0.48 0.23 -0.17 0.00 -2.10 0.00 0.00 70.33 68.78 2a7a n THR 11 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2a7a s TYR 12 N -3.02 1.86 -0.52 4.78 6.14 -1.24 -4.55 117.35 120.80 2a7a s TYR 12 Ca 0.10 -0.98 -0.28 0.00 0.64 0.00 0.00 57.07 56.55 2a7a s TYR 12 Cb 0.17 -1.42 0.02 0.00 0.42 0.00 0.00 41.96 41.15 2a7a s TYR 12 CO 0.71 -0.57 1.35 -1.25 0.64 0.00 0.00 175.55 176.43 2a7a s PRO 13 N 1.48 3.44 -0.77 4.97 0.04 -1.26 -4.94 135.00 137.96 2a7a s PRO 13 Ca 0.03 0.54 -0.15 0.00 0.04 0.00 0.00 61.00 61.46 2a7a s PRO 13 Cb -0.13 -4.06 0.18 0.00 0.04 0.00 0.00 34.50 30.53 2a7a s PRO 13 CO -0.08 -1.75 0.76 -0.80 0.04 0.00 0.00 177.00 175.16 2a7a s ASN 14 N 3.87 6.60 0.33 6.66 -0.87 -1.26 -4.88 114.94 125.40 2a7a s ASN 14 Ca 0.52 -2.37 0.26 0.00 -1.57 0.00 0.00 52.86 49.71 2a7a s ASN 14 Cb -0.10 -2.24 0.91 0.00 -0.02 0.00 0.00 41.25 39.79 2a7a s ASN 14 CO 0.28 -0.72 1.77 0.71 -2.57 0.00 0.00 177.10 176.57 2a7a h THR 15 N 5.18 0.00 0.00 1.60 1.35 -1.86 -2.31 112.91 116.87 2a7a h THR 15 Ca 0.01 -0.49 -0.06 0.00 -0.55 0.00 0.00 66.41 65.32 2a7a h THR 15 Cb 1.05 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 2a7a h THR 15 CO 0.87 0.00 -0.31 -2.24 -0.25 0.00 0.00 175.52 173.59 2a7a h ASP 16 N 0.00 0.00 -0.46 5.36 2.03 -1.90 -2.77 116.42 118.69 2a7a h ASP 16 Ca 0.00 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.08 2a7a h ASP 16 Cb 0.61 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 38.98 2a7a h ASP 16 CO 0.00 0.31 0.05 2.30 -1.03 0.00 0.00 179.24 180.87 2a7a n ILE 17 N -3.45 2.65 -0.68 4.15 -5.35 -0.97 -4.96 119.36 110.74 2a7a n ILE 17 Ca 0.00 -2.53 0.00 0.00 -0.27 0.00 0.00 62.75 59.95 2a7a n ILE 17 Cb 0.48 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.04 2a7a n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2a7a n GLY 18 N -1.06 0.84 3.74 3.28 0.00 -1.04 -4.69 105.19 106.26 2a7a n GLY 18 Ca 0.37 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.01 2a7a n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2a7a s ASP 19 N -2.98 5.04 0.98 1.61 1.01 -0.91 -4.93 116.67 116.48 2a7a s ASP 19 Ca 0.00 2.65 -0.12 0.00 0.71 0.00 0.00 52.55 55.79 2a7a s ASP 19 Cb 0.00 -2.62 0.18 0.00 1.01 0.00 0.00 42.92 41.48 2a7a s ASP 19 CO 0.00 -1.72 1.09 -2.16 0.21 0.00 0.00 175.17 172.59 2a7a s PRO 20 N -3.13 0.61 -0.06 8.23 0.04 -1.26 -4.20 135.00 135.22 2a7a s PRO 20 Ca 0.76 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.45 2a7a s PRO 20 Cb -0.38 -1.75 0.08 0.00 0.04 0.00 0.00 34.50 32.50 2a7a s PRO 20 CO 0.42 -2.64 1.28 -1.13 0.04 0.00 0.00 177.00 174.97 2a7a n SER 21 N -4.13 3.56 -3.67 6.66 3.41 -1.26 -4.61 113.62 113.57 2a7a n SER 21 Ca 0.06 -2.28 -0.10 0.00 -0.26 0.00 0.00 58.87 56.29 2a7a n SER 21 Cb 0.56 -0.65 -0.05 0.00 -0.26 0.00 0.00 64.21 63.82 2a7a n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2a7a s TYR 22 N -0.44 -0.14 0.47 7.33 -0.85 -1.26 -4.95 117.35 117.51 2a7a s TYR 22 Ca 0.08 -0.20 -0.23 0.00 -0.52 0.00 0.00 57.07 56.20 2a7a s TYR 22 Cb 0.06 0.21 -0.09 0.00 0.38 0.00 0.00 41.96 42.53 2a7a s TYR 22 CO 0.01 -0.68 1.13 -2.30 -1.52 0.00 0.00 175.55 172.19 2a7a n PRO 23 N -0.20 1.50 -3.62 -3.49 -0.02 -1.26 -4.58 135.00 123.32 2a7a n PRO 23 Ca -0.16 0.54 -0.10 0.00 -2.02 0.00 0.00 63.50 61.76 2a7a n PRO 23 Cb 0.63 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 2a7a n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2a7a s HIS 24 N -1.30 -0.24 -0.04 6.00 -3.43 -0.38 -1.30 115.29 114.62 2a7a s HIS 24 Ca 0.66 -0.07 -0.00 0.00 -0.80 0.00 0.00 55.06 54.85 2a7a s HIS 24 Cb -0.50 0.35 -0.04 0.00 -1.43 0.00 0.00 32.58 30.96 2a7a s HIS 24 CO 0.55 -0.78 0.02 -1.50 -2.00 0.00 0.00 174.74 171.02 2a7a s ILE 25 N -3.81 4.37 0.03 -5.38 2.07 -0.31 -0.52 121.20 117.64 2a7a s ILE 25 Ca 0.04 -0.41 -0.06 0.00 -1.41 0.00 0.00 60.65 58.81 2a7a s ILE 25 Cb 0.01 -2.92 -0.01 0.00 0.13 0.00 0.00 42.46 39.67 2a7a s ILE 25 CO -0.10 0.46 0.11 -0.83 -1.91 0.00 0.00 174.94 172.67 2a7a s GLY 26 N -1.34 0.14 -0.20 1.50 0.00 0.15 -0.93 107.32 106.66 2a7a s GLY 26 Ca 0.18 -0.47 -0.05 0.00 0.00 0.00 0.00 44.72 44.39 2a7a s GLY 26 CO 0.08 -0.60 -0.01 -0.42 0.00 0.00 0.00 173.10 172.14 2a7a s ILE 27 N -2.38 3.86 -0.22 0.90 1.01 -0.41 -0.46 121.20 123.49 2a7a s ILE 27 Ca -0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 2a7a s ILE 27 Cb -0.02 -2.74 0.02 0.00 0.01 0.00 0.00 42.46 39.73 2a7a s ILE 27 CO -0.03 0.44 -0.11 -1.81 0.00 0.00 0.00 174.94 173.42 2a7a s ASP 28 N 0.97 3.90 -0.35 3.58 1.01 0.39 -0.53 116.67 125.63 2a7a s ASP 28 Ca 0.01 -0.71 0.02 0.00 0.71 0.00 0.00 52.55 52.57 2a7a s ASP 28 Cb -0.14 -1.61 0.10 0.00 1.01 0.00 0.00 42.92 42.27 2a7a s ASP 28 CO 0.02 -0.06 0.07 -0.63 0.21 0.00 0.00 175.17 174.78 2a7a s ILE 29 N 1.33 2.58 -0.80 0.77 -1.09 -1.26 -0.50 121.20 122.24 2a7a s ILE 29 Ca 0.03 -2.15 0.00 0.00 -2.23 0.00 0.00 60.65 56.30 2a7a s ILE 29 Cb -0.15 -2.81 0.00 0.00 -1.58 0.00 0.00 42.46 37.92 2a7a s ILE 29 CO -0.07 -0.54 0.00 0.29 -1.23 0.00 0.00 174.94 173.38 2a7a n LYS 30 N 4.38 -1.44 -3.61 2.79 5.02 0.25 -4.93 118.16 120.63 2a7a n LYS 30 Ca -0.00 0.71 -0.16 0.00 -2.02 0.00 0.00 58.31 56.85 2a7a n LYS 30 Cb 0.42 -4.94 -0.07 0.00 -0.02 0.00 0.00 35.03 30.42 2a7a n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2a7a s SER 31 N -2.36 -0.62 0.58 4.39 0.15 -1.26 -4.95 113.70 109.63 2a7a s SER 31 Ca 0.00 0.92 0.36 0.00 0.70 0.00 0.00 55.95 57.93 2a7a s SER 31 Cb 0.00 0.87 1.62 0.00 -1.71 0.00 0.00 66.02 66.80 2a7a s SER 31 CO 0.00 -0.42 2.08 1.62 1.20 0.00 0.00 173.24 177.72 2a7a h VAL 32 N 3.59 0.03 -2.20 4.45 3.04 -1.83 -3.40 116.25 119.93 2a7a h VAL 32 Ca -0.28 -0.40 -0.55 0.00 -1.01 0.00 0.00 66.70 64.46 2a7a h VAL 32 Cb 1.16 1.39 -0.08 0.00 -2.01 0.00 0.00 31.29 31.74 2a7a h VAL 32 CO 0.26 0.01 1.11 -0.13 -1.01 0.00 0.00 177.57 177.81 2a7a s ARG 33 N -3.80 3.24 0.35 4.17 0.52 -1.26 -4.94 118.95 117.23 2a7a s ARG 33 Ca -0.00 -0.36 -0.28 0.00 -0.52 0.00 0.00 55.73 54.57 2a7a s ARG 33 Cb 0.10 -4.33 -0.12 0.00 0.52 0.00 0.00 34.95 31.12 2a7a s ARG 33 CO 0.51 -2.16 1.26 0.43 0.02 0.00 0.00 175.30 175.36 2a7a n SER 34 N 9.30 2.57 0.14 0.23 7.64 -1.26 -4.81 113.62 127.43 2a7a n SER 34 Ca 0.07 1.19 -0.00 0.00 1.01 0.00 0.00 58.87 61.14 2a7a n SER 34 Cb 0.49 -1.46 0.15 0.00 -1.01 0.00 0.00 64.21 62.38 2a7a n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2a7a h LYS 35 N 2.43 0.00 -2.85 1.43 1.79 -1.15 -3.44 116.57 114.77 2a7a h LYS 35 Ca -0.46 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 57.88 2a7a h LYS 35 Cb 1.29 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.69 2a7a h LYS 35 CO 0.62 0.61 -0.29 0.21 -1.08 0.00 0.00 179.45 179.52 2a7a s LYS 36 N -3.43 0.42 0.19 3.15 2.47 -1.24 -5.01 119.74 116.28 2a7a s LYS 36 Ca -0.00 0.51 0.04 0.00 -1.56 0.00 0.00 55.97 54.96 2a7a s LYS 36 Cb 0.12 0.20 -0.05 0.00 -1.46 0.00 0.00 37.83 36.63 2a7a s LYS 36 CO 0.75 -0.05 -0.04 0.95 0.16 0.00 0.00 175.35 177.12 2a7a s THR 37 N 0.24 1.03 0.00 3.43 -4.23 -1.26 -1.29 115.64 113.56 2a7a s THR 37 Ca -0.00 -2.04 -0.03 0.00 -1.18 0.00 0.00 61.69 58.44 2a7a s THR 37 Cb -0.03 -2.10 -0.01 0.00 1.34 0.00 0.00 72.50 71.70 2a7a s THR 37 CO 0.00 -0.52 0.04 0.00 -0.54 0.00 0.00 174.62 173.60 2a7a s ALA 38 N -3.42 -0.08 0.32 3.99 0.00 -0.10 -4.99 121.76 117.48 2a7a s ALA 38 Ca 0.23 -0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.63 2a7a s ALA 38 Cb 0.04 0.08 -0.12 0.00 0.00 0.00 0.00 23.12 23.12 2a7a s ALA 38 CO 0.05 -0.14 1.50 1.17 0.00 0.00 0.00 175.76 178.33 2a7a n LYS 39 N 1.90 2.55 -4.15 0.00 4.81 -1.26 -1.17 118.16 120.85 2a7a n LYS 39 Ca -0.21 0.90 -0.27 0.00 -0.87 0.00 0.00 58.31 57.86 2a7a n LYS 39 Cb 0.56 -2.63 -0.17 0.00 0.02 0.00 0.00 35.03 32.82 2a7a n LYS 39 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 2a7a s TRP 40 N -0.52 1.72 -1.23 5.64 -0.00 -0.42 -4.73 118.94 119.40 2a7a s TRP 40 Ca 0.60 -0.85 -0.11 0.00 -0.00 0.00 0.00 56.10 55.74 2a7a s TRP 40 Cb -0.51 -1.32 0.18 0.00 -0.00 0.00 0.00 33.47 31.82 2a7a s TRP 40 CO 0.55 -0.50 1.62 0.09 -0.00 0.00 0.00 176.95 178.71 2a7a n ASN 41 N 4.58 5.25 -4.77 5.86 5.03 -1.26 -4.34 115.26 125.61 2a7a n ASN 41 Ca -0.16 -3.06 -0.41 0.00 0.87 0.00 0.00 54.58 51.81 2a7a n ASN 41 Cb 0.51 -1.50 -0.01 0.00 -1.02 0.00 0.00 39.78 37.75 2a7a n ASN 41 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 2a7a s MET 42 N 0.66 4.15 -0.29 3.52 1.75 -1.26 -4.98 119.30 122.84 2a7a s MET 42 Ca 0.40 2.51 -0.02 0.00 -1.25 0.00 0.00 55.69 57.34 2a7a s MET 42 Cb 0.03 -2.99 0.04 0.00 2.84 0.00 0.00 34.83 34.75 2a7a s MET 42 CO 0.01 -0.49 -0.01 -0.65 -0.65 0.00 0.00 175.02 173.23 2a7a s GLN 43 N -1.82 2.51 0.10 4.11 -0.21 -1.26 -5.08 119.66 118.01 2a7a s GLN 43 Ca 0.54 -1.21 -0.31 0.00 0.02 0.00 0.00 55.36 54.40 2a7a s GLN 43 Cb -0.46 -3.16 -0.09 0.00 1.00 0.00 0.00 33.01 30.31 2a7a s GLN 43 CO 0.59 -0.58 1.65 1.21 -2.12 0.00 0.00 175.29 176.04 2a7a s ASN 44 N 1.27 6.58 0.00 5.90 3.84 -1.26 -2.27 114.94 129.00 2a7a s ASN 44 Ca -0.04 2.54 0.00 0.00 0.21 0.00 0.00 52.86 55.57 2a7a s ASN 44 Cb -0.19 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 37.94 2a7a s ASN 44 CO -0.01 -0.88 0.00 0.61 -2.79 0.00 0.00 177.10 174.02 2a7a n GLY 45 N 3.96 1.00 3.85 1.21 0.00 0.30 -4.96 105.19 110.56 2a7a n GLY 45 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2a7a n GLY 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2a7a s LYS 46 N -0.24 3.13 -0.19 1.61 2.20 -0.96 -4.93 119.74 120.36 2a7a s LYS 46 Ca 0.00 -0.68 -0.22 0.00 -0.36 0.00 0.00 55.97 54.71 2a7a s LYS 46 Cb 0.00 -2.82 -0.02 0.00 -1.51 0.00 0.00 37.83 33.48 2a7a s LYS 46 CO 0.00 0.54 0.70 0.08 -0.36 0.00 0.00 175.35 176.30 2a7a s VAL 47 N -1.61 4.97 0.30 4.02 1.01 -1.26 -4.16 120.40 123.67 2a7a s VAL 47 Ca 0.32 1.34 0.08 0.00 0.00 0.00 0.00 61.98 63.72 2a7a s VAL 47 Cb -0.11 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2a7a s VAL 47 CO 0.25 0.08 0.12 -0.83 0.00 0.00 0.00 175.10 174.73 2a7a s GLY 48 N 1.18 1.74 -0.03 4.51 0.00 -0.30 -4.41 107.32 110.01 2a7a s GLY 48 Ca 0.32 -1.68 0.03 0.00 0.00 0.00 0.00 44.72 43.39 2a7a s GLY 48 CO 0.11 -1.68 -0.12 -1.59 0.00 0.00 0.00 173.10 169.83 2a7a s THR 49 N -2.33 0.99 -0.02 0.90 2.01 -0.17 -1.50 115.64 115.52 2a7a s THR 49 Ca 0.35 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 61.93 2a7a s THR 49 Cb -0.05 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 2a7a s THR 49 CO 0.23 0.30 -0.18 0.00 -0.69 0.00 0.00 174.62 174.27 2a7a s ALA 50 N 0.13 2.52 -0.03 7.40 0.00 -0.26 -1.01 121.76 130.51 2a7a s ALA 50 Ca -0.03 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 50.90 2a7a s ALA 50 Cb -0.09 -0.80 -0.00 0.00 0.00 0.00 0.00 23.12 22.22 2a7a s ALA 50 CO 0.01 0.55 -0.15 -1.01 0.00 0.00 0.00 175.76 175.16 2a7a s HIS 51 N -0.75 1.49 -0.02 0.00 3.76 0.46 -1.32 115.29 118.91 2a7a s HIS 51 Ca 0.12 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 2a7a s HIS 51 Cb -0.10 -1.00 -0.00 0.00 1.11 0.00 0.00 32.58 32.59 2a7a s HIS 51 CO 0.01 -0.11 -0.11 0.42 -0.85 0.00 0.00 174.74 174.10 2a7a s ILE 52 N -0.06 0.94 0.01 0.60 1.09 0.42 -0.46 121.20 123.73 2a7a s ILE 52 Ca -0.01 -0.47 -0.01 0.00 -1.10 0.00 0.00 60.65 59.06 2a7a s ILE 52 Cb -0.09 -0.81 -0.01 0.00 -1.06 0.00 0.00 42.46 40.48 2a7a s ILE 52 CO 0.01 0.28 0.01 0.27 -0.10 0.00 0.00 174.94 175.41 2a7a s ILE 53 N 0.01 0.08 -0.11 2.92 -4.36 0.07 -0.56 121.20 119.26 2a7a s ILE 53 Ca -0.01 -0.68 -0.30 0.00 -0.26 0.00 0.00 60.65 59.41 2a7a s ILE 53 Cb -0.08 -0.24 0.08 0.00 1.25 0.00 0.00 42.46 43.46 2a7a s ILE 53 CO 0.00 -0.37 0.72 -0.47 0.24 0.00 0.00 174.94 175.06 2a7a s TYR 54 N -1.13 -0.66 0.06 1.37 5.04 -0.60 -1.19 117.35 120.24 2a7a s TYR 54 Ca -0.12 1.25 -0.08 0.00 -2.44 0.00 0.00 57.07 55.68 2a7a s TYR 54 Cb -0.08 0.38 -0.00 0.00 0.35 0.00 0.00 41.96 42.61 2a7a s TYR 54 CO -0.00 -0.54 0.16 0.54 -1.34 0.00 0.00 175.55 174.37 2a7a s ASN 55 N -0.84 0.13 0.00 4.32 2.20 -1.26 -1.08 114.94 118.41 2a7a s ASN 55 Ca -0.08 -0.56 0.26 0.00 -0.94 0.00 0.00 52.86 51.54 2a7a s ASN 55 Cb -0.01 0.29 1.16 0.00 -2.00 0.00 0.00 41.25 40.69 2a7a s ASN 55 CO 0.07 -0.62 1.85 -1.54 -2.94 0.00 0.00 177.10 173.92 2a7a n SER 56 N 0.36 0.00 -0.07 3.54 3.41 0.11 -1.00 113.62 119.97 2a7a n SER 56 Ca -0.17 0.39 -0.10 0.00 -0.26 0.00 0.00 58.87 58.73 2a7a n SER 56 Cb 0.60 -0.46 -0.09 0.00 -0.26 0.00 0.00 64.21 64.01 2a7a n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2a7a h VAL 57 N 0.00 1.14 0.00 -3.33 2.07 -1.89 -3.37 116.25 110.87 2a7a h VAL 57 Ca 0.00 -1.90 -0.11 0.00 0.82 0.00 0.00 66.70 65.51 2a7a h VAL 57 Cb 0.41 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 2a7a h VAL 57 CO 0.00 0.39 -0.53 0.44 0.02 0.00 0.00 177.57 177.88 2a7a h ASP 58 N -1.00 0.00 -6.15 0.57 3.32 -1.96 -3.48 116.42 107.72 2a7a h ASP 58 Ca -0.03 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.60 2a7a h ASP 58 Cb 0.72 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.32 2a7a h ASP 58 CO -0.02 0.53 -0.86 0.29 -1.72 0.00 0.00 179.24 177.46 2a7a n LYS 59 N -3.25 -3.75 -3.79 3.56 5.02 -0.17 -4.91 118.16 110.87 2a7a n LYS 59 Ca 0.02 0.56 -0.21 0.00 -2.02 0.00 0.00 58.31 56.66 2a7a n LYS 59 Cb 0.74 -4.90 -0.17 0.00 -0.02 0.00 0.00 35.03 30.68 2a7a n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2a7a s ARG 60 N -5.99 0.41 -0.25 1.97 3.52 -1.26 -1.32 118.95 116.04 2a7a s ARG 60 Ca 0.12 0.16 -0.15 0.00 -0.13 0.00 0.00 55.73 55.73 2a7a s ARG 60 Cb -0.04 -0.79 -0.04 0.00 -1.56 0.00 0.00 34.95 32.53 2a7a s ARG 60 CO 0.83 -0.28 0.36 -1.17 -0.81 0.00 0.00 175.30 174.24 2a7a s LEU 61 N 1.84 4.07 0.09 -0.88 2.96 -0.05 -4.23 118.68 122.49 2a7a s LEU 61 Ca 0.02 0.33 0.06 0.00 -0.22 0.00 0.00 54.13 54.32 2a7a s LEU 61 Cb -0.12 -2.42 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 2a7a s LEU 61 CO -0.04 -0.13 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.26 2a7a s SER 62 N 1.44 1.95 0.01 3.68 0.01 -0.33 -0.65 113.70 119.82 2a7a s SER 62 Ca 0.15 -0.69 -0.03 0.00 1.31 0.00 0.00 55.95 56.69 2a7a s SER 62 Cb -0.15 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 2a7a s SER 62 CO 0.09 -0.07 0.05 0.00 0.41 0.00 0.00 173.24 173.71 2a7a s ALA 63 N -1.53 -0.08 -0.01 1.44 0.00 -0.01 -0.75 121.76 120.82 2a7a s ALA 63 Ca 0.03 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.62 2a7a s ALA 63 Cb -0.08 0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.17 2a7a s ALA 63 CO 0.03 -0.19 -0.07 0.08 0.00 0.00 0.00 175.76 175.61 2a7a s VAL 64 N -1.49 0.61 -0.02 0.00 1.01 0.39 -1.53 120.40 119.37 2a7a s VAL 64 Ca -0.15 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.57 2a7a s VAL 64 Cb -0.09 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 2a7a s VAL 64 CO -0.00 0.19 -0.13 0.54 0.00 0.00 0.00 175.10 175.69 2a7a s VAL 65 N 0.00 1.09 0.16 2.92 0.11 0.84 -0.40 120.40 125.12 2a7a s VAL 65 Ca 0.00 -0.57 -0.11 0.00 -2.93 0.00 0.00 61.98 58.37 2a7a s VAL 65 Cb -0.05 -0.92 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 2a7a s VAL 65 CO -0.00 0.31 0.33 -0.94 -3.33 0.00 0.00 175.10 171.48 2a7a s SER 66 N -0.17 -0.03 0.18 3.54 1.04 -0.18 -0.95 113.70 117.13 2a7a s SER 66 Ca 0.02 -0.72 0.09 0.00 0.48 0.00 0.00 55.95 55.82 2a7a s SER 66 Cb -0.07 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 2a7a s SER 66 CO 0.00 -0.91 -0.18 -0.31 0.98 0.00 0.00 173.24 172.82 2a7a s TYR 67 N -3.92 1.84 0.31 5.02 2.02 -1.26 -1.00 117.35 120.36 2a7a s TYR 67 Ca 0.13 -0.48 -0.29 0.00 -0.37 0.00 0.00 57.07 56.07 2a7a s TYR 67 Cb 0.02 -0.90 -0.13 0.00 -0.40 0.00 0.00 41.96 40.56 2a7a s TYR 67 CO -0.03 0.36 1.30 -2.30 -1.57 0.00 0.00 175.55 173.31 2a7a n PRO 68 N 0.12 2.06 -0.96 -1.71 -0.02 -1.26 -2.30 135.00 130.93 2a7a n PRO 68 Ca -0.12 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2a7a n PRO 68 Cb 0.58 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2a7a n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2a7a n ASN 69 N 1.12 -2.69 -4.31 2.55 3.02 -1.26 -4.98 115.26 108.71 2a7a n ASN 69 Ca 0.07 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.40 2a7a n ASN 69 Cb 0.35 -1.18 -0.11 0.00 -0.61 0.00 0.00 39.78 38.22 2a7a n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2a7a s ALA 70 N -2.14 1.89 0.45 5.41 0.00 -0.97 -5.12 121.76 121.28 2a7a s ALA 70 Ca 0.00 -1.43 -0.25 0.00 0.00 0.00 0.00 51.96 50.29 2a7a s ALA 70 Cb 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 23.12 22.87 2a7a s ALA 70 CO 0.00 0.22 1.33 -0.51 0.00 0.00 0.00 175.76 176.80 2a7a s ASP 71 N -2.55 5.97 0.78 0.00 1.01 -1.26 -4.54 116.67 116.07 2a7a s ASP 71 Ca 0.13 2.70 -0.09 0.00 0.71 0.00 0.00 52.55 56.00 2a7a s ASP 71 Cb -0.06 -2.64 0.10 0.00 1.01 0.00 0.00 42.92 41.33 2a7a s ASP 71 CO 0.06 -1.09 1.10 -0.94 0.21 0.00 0.00 175.17 174.51 2a7a s SER 72 N -0.81 4.37 0.03 0.27 1.04 -1.26 -4.71 113.70 112.63 2a7a s SER 72 Ca 0.62 0.39 0.07 0.00 0.48 0.00 0.00 55.95 57.51 2a7a s SER 72 Cb -0.39 -0.86 -0.02 0.00 0.10 0.00 0.00 66.02 64.85 2a7a s SER 72 CO 0.49 -1.91 -0.20 0.00 0.98 0.00 0.00 173.24 172.60 2a7a s ALA 73 N -3.42 1.72 0.02 5.32 0.00 -0.12 -4.97 121.76 120.30 2a7a s ALA 73 Ca 0.64 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 2a7a s ALA 73 Cb -0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 2a7a s ALA 73 CO 0.47 0.39 -0.00 -0.08 0.00 0.00 0.00 175.76 176.54 2a7a s THR 74 N -0.71 0.10 -0.01 0.00 -1.32 -1.26 -0.11 115.64 112.33 2a7a s THR 74 Ca 0.07 -0.83 -0.05 0.00 -1.21 0.00 0.00 61.69 59.67 2a7a s THR 74 Cb -0.08 -0.28 0.00 0.00 -1.51 0.00 0.00 72.50 70.63 2a7a s THR 74 CO 0.01 -0.46 0.10 0.54 -2.21 0.00 0.00 174.62 172.61 2a7a s VAL 75 N -1.38 0.05 0.02 5.08 0.11 -0.59 -4.67 120.40 119.04 2a7a s VAL 75 Ca -0.15 -0.45 -0.01 0.00 -2.93 0.00 0.00 61.98 58.44 2a7a s VAL 75 Cb -0.09 -0.30 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 2a7a s VAL 75 CO -0.01 -0.25 -0.02 -0.44 -3.33 0.00 0.00 175.10 171.05 2a7a s SER 76 N -0.82 0.26 -0.10 3.54 0.01 -1.26 -0.83 113.70 114.49 2a7a s SER 76 Ca -0.09 -0.56 -0.06 0.00 1.31 0.00 0.00 55.95 56.55 2a7a s SER 76 Cb -0.05 0.12 0.04 0.00 0.21 0.00 0.00 66.02 66.34 2a7a s SER 76 CO 0.01 -0.35 0.25 -0.47 0.41 0.00 0.00 173.24 173.09 2a7a s TYR 77 N -1.82 -0.33 -0.21 2.43 5.04 0.18 -4.87 117.35 117.78 2a7a s TYR 77 Ca -0.13 0.78 -0.29 0.00 -2.44 0.00 0.00 57.07 54.99 2a7a s TYR 77 Cb -0.07 0.07 -0.00 0.00 0.35 0.00 0.00 41.96 42.30 2a7a s TYR 77 CO -0.02 -0.21 1.21 -0.51 -1.34 0.00 0.00 175.55 174.68 2a7a s ASP 78 N 0.96 6.93 -0.20 4.32 1.01 -1.26 -0.87 116.67 127.56 2a7a s ASP 78 Ca -0.07 1.52 -0.15 0.00 0.71 0.00 0.00 52.55 54.56 2a7a s ASP 78 Cb -0.08 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.37 2a7a s ASP 78 CO -0.06 -0.80 0.52 0.54 0.21 0.00 0.00 175.17 175.58 2a7a s VAL 79 N 3.58 -0.01 -0.57 -1.27 0.11 -0.43 -4.97 120.40 116.84 2a7a s VAL 79 Ca 0.52 0.03 -0.23 0.00 -2.93 0.00 0.00 61.98 59.37 2a7a s VAL 79 Cb -0.19 -0.74 0.05 0.00 -1.53 0.00 0.00 36.38 33.97 2a7a s VAL 79 CO 0.14 0.01 0.90 -0.62 -3.33 0.00 0.00 175.10 172.20 2a7a s ASP 80 N 0.97 6.29 0.59 3.54 -1.08 -1.26 -4.07 116.67 121.64 2a7a s ASP 80 Ca -0.06 -0.57 0.36 0.00 -0.52 0.00 0.00 52.55 51.77 2a7a s ASP 80 Cb -0.06 -2.41 1.82 0.00 -1.46 0.00 0.00 42.92 40.82 2a7a s ASP 80 CO -0.08 -1.22 2.17 -0.07 0.52 0.00 0.00 175.17 176.49 2a7a h LEU 81 N 10.85 0.00 -1.02 -1.34 3.38 -1.95 -0.04 115.31 125.18 2a7a h LEU 81 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2a7a h LEU 81 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2a7a h LEU 81 CO 1.09 0.03 0.00 0.44 0.09 0.00 0.00 178.44 180.09 2a7a h ASP 82 N 0.00 0.00 0.08 -0.43 3.32 -1.91 0.13 116.42 117.62 2a7a h ASP 82 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2a7a h ASP 82 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2a7a h ASP 82 CO 0.00 0.00 -0.47 0.59 -1.72 0.00 0.00 179.24 177.65 2a7a n ASN 83 N -2.56 1.56 -0.08 6.45 3.02 -0.03 -4.50 115.26 119.13 2a7a n ASN 83 Ca 0.01 -1.22 -0.16 0.00 -0.03 0.00 0.00 54.58 53.18 2a7a n ASN 83 Cb 0.25 0.42 -0.05 0.00 -0.61 0.00 0.00 39.78 39.79 2a7a n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2a7a n VAL 84 N -0.42 0.85 -3.53 2.41 0.31 -0.62 -5.06 118.33 112.27 2a7a n VAL 84 Ca 0.09 -0.21 -0.26 0.00 -0.01 0.00 0.00 64.34 63.95 2a7a n VAL 84 Cb 0.41 -1.71 -0.02 0.00 -0.91 0.00 0.00 33.84 31.61 2a7a n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2a7a s LEU 85 N -6.84 4.12 1.03 7.52 1.43 0.36 -4.98 118.68 121.32 2a7a s LEU 85 Ca -0.22 0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 53.21 2a7a s LEU 85 Cb 0.08 -3.27 0.20 0.00 0.03 0.00 0.00 46.19 43.24 2a7a s LEU 85 CO 0.27 -0.16 1.10 -2.16 0.23 0.00 0.00 176.35 175.63 2a7a s PRO 86 N -3.76 0.18 0.33 1.29 0.04 -1.26 -4.71 135.00 127.10 2a7a s PRO 86 Ca 0.40 0.37 0.10 0.00 0.04 0.00 0.00 61.00 61.90 2a7a s PRO 86 Cb -0.10 -1.72 0.59 0.00 0.04 0.00 0.00 34.50 33.30 2a7a s PRO 86 CO 0.32 -2.87 1.76 1.49 0.04 0.00 0.00 177.00 177.74 2a7a h GLU 87 N -1.99 0.09 -6.20 4.56 4.81 -1.93 -3.41 114.58 110.52 2a7a h GLU 87 Ca -0.53 -0.04 -0.69 0.00 -0.13 0.00 0.00 59.36 57.97 2a7a h GLU 87 Cb 1.33 -0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.46 2a7a h GLU 87 CO 0.55 0.49 -0.78 -1.58 -0.73 0.00 0.00 179.01 176.95 2a7a s TRP 88 N -4.12 2.68 0.18 0.92 0.52 -1.26 -1.28 118.94 116.57 2a7a s TRP 88 Ca -0.03 -0.27 -0.01 0.00 0.02 0.00 0.00 56.10 55.81 2a7a s TRP 88 Cb 0.14 -1.65 -0.04 0.00 -1.15 0.00 0.00 33.47 30.77 2a7a s TRP 88 CO 0.75 0.10 0.12 0.14 0.02 0.00 0.00 176.95 178.07 2a7a s VAL 89 N -0.55 0.03 0.22 4.03 -7.23 -0.19 -4.27 120.40 112.44 2a7a s VAL 89 Ca 0.08 -1.96 0.09 0.00 -1.81 0.00 0.00 61.98 58.38 2a7a s VAL 89 Cb -0.11 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 2a7a s VAL 89 CO 0.01 -0.13 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.49 2a7a s ARG 90 N -4.13 2.15 0.11 4.82 0.52 -0.20 0.03 118.95 122.25 2a7a s ARG 90 Ca 0.35 -1.36 0.11 0.00 -0.52 0.00 0.00 55.73 54.30 2a7a s ARG 90 Cb 0.07 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 2a7a s ARG 90 CO 0.09 0.40 -0.27 0.14 0.02 0.00 0.00 175.30 175.68 2a7a s VAL 91 N -2.03 2.24 0.27 3.52 -7.23 -1.26 -1.09 120.40 114.81 2a7a s VAL 91 Ca 0.28 -1.67 -0.15 0.00 -1.81 0.00 0.00 61.98 58.62 2a7a s VAL 91 Cb -0.07 -1.96 0.06 0.00 0.56 0.00 0.00 36.38 34.96 2a7a s VAL 91 CO 0.17 0.15 0.77 0.61 -0.31 0.00 0.00 175.10 176.50 2a7a n GLY 92 N 1.11 0.94 3.26 2.32 0.00 -0.01 -1.26 105.19 111.55 2a7a n GLY 92 Ca -0.18 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 2a7a n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a7a s LEU 93 N 0.00 2.06 0.09 0.99 1.43 0.13 -0.88 118.68 122.50 2a7a s LEU 93 Ca 0.16 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 2a7a s LEU 93 Cb -0.04 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 2a7a s LEU 93 CO 0.08 0.27 -0.12 -0.55 0.23 0.00 0.00 176.35 176.26 2a7a s SER 94 N -0.63 1.58 0.19 2.29 0.15 0.21 -0.72 113.70 116.77 2a7a s SER 94 Ca 0.09 -0.75 -0.17 0.00 0.70 0.00 0.00 55.95 55.82 2a7a s SER 94 Cb -0.09 -0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.23 2a7a s SER 94 CO -0.00 -0.19 0.50 0.00 1.20 0.00 0.00 173.24 174.75 2a7a s ALA 95 N -2.03 -0.91 0.14 5.45 0.00 -0.55 -0.30 121.76 123.56 2a7a s ALA 95 Ca 0.03 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.64 2a7a s ALA 95 Cb -0.05 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.93 2a7a s ALA 95 CO 0.01 -0.78 0.39 -1.54 0.00 0.00 0.00 175.76 173.84 2a7a s SER 96 N -2.87 -0.15 0.28 0.00 1.04 -1.07 -2.08 113.70 108.85 2a7a s SER 96 Ca 0.09 -0.49 0.05 0.00 0.48 0.00 0.00 55.95 56.08 2a7a s SER 96 Cb -0.00 0.48 -0.06 0.00 0.10 0.00 0.00 66.02 66.54 2a7a s SER 96 CO -0.04 -0.90 -0.01 0.42 0.98 0.00 0.00 173.24 173.70 2a7a s THR 97 N -3.85 1.33 0.00 2.02 -4.23 0.45 -0.82 115.64 110.54 2a7a s THR 97 Ca 0.07 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 2a7a s THR 97 Cb 0.02 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.34 2a7a s THR 97 CO -0.08 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 2a7a n GLY 98 N -0.56 4.39 0.13 3.99 0.00 -1.26 -1.22 105.19 110.66 2a7a n GLY 98 Ca -0.04 -0.57 -0.00 0.00 0.00 0.00 0.00 46.02 45.40 2a7a n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2a7a h LEU 99 N 0.00 0.00-10.14 0.99 3.38 -1.97 0.13 115.31 107.70 2a7a h LEU 99 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 2a7a h LEU 99 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2a7a h LEU 99 CO 0.00 0.63 -0.25 -0.31 0.09 0.00 0.00 178.44 178.60 2a7a s TYR 100 N -3.22 3.49 0.19 1.13 1.51 -1.26 -4.91 117.35 114.27 2a7a s TYR 100 Ca 0.01 0.37 -0.07 0.00 -1.01 0.00 0.00 57.07 56.36 2a7a s TYR 100 Cb 0.10 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 2a7a s TYR 100 CO 0.75 0.25 0.27 -1.59 -1.11 0.00 0.00 175.55 174.13 2a7a s LYS 101 N -3.78 1.23 -0.08 -0.62 -2.85 -1.23 -4.38 119.74 108.04 2a7a s LYS 101 Ca 0.40 -1.31 -0.30 0.00 -1.00 0.00 0.00 55.97 53.76 2a7a s LYS 101 Cb -0.10 0.36 0.12 0.00 -2.06 0.00 0.00 37.83 36.15 2a7a s LYS 101 CO 0.32 -0.45 0.97 -1.83 0.10 0.00 0.00 175.35 174.46 2a7a s GLU 102 N -4.02 0.67 0.53 1.78 -1.05 -1.06 -3.31 118.70 112.24 2a7a s GLU 102 Ca 0.23 -0.16 -0.19 0.00 -0.15 0.00 0.00 54.97 54.70 2a7a s GLU 102 Cb 0.04 0.31 -0.06 0.00 -0.44 0.00 0.00 34.13 33.97 2a7a s GLU 102 CO 0.04 -0.28 1.10 0.95 0.95 0.00 0.00 175.26 178.02 2a7a s THR 103 N -2.52 3.40 -0.53 1.83 -4.23 0.13 -4.71 115.64 109.01 2a7a s THR 103 Ca 0.04 0.85 0.07 0.00 -1.18 0.00 0.00 61.69 61.47 2a7a s THR 103 Cb -0.01 -3.34 0.25 0.00 1.34 0.00 0.00 72.50 70.75 2a7a s THR 103 CO -0.06 -0.21 0.65 0.59 -0.54 0.00 0.00 174.62 175.06 2a7a n ASN 104 N -1.28 2.18 -4.70 3.99 3.02 -1.26 -3.81 115.26 113.40 2a7a n ASN 104 Ca 0.11 -3.12 -0.37 0.00 -0.03 0.00 0.00 54.58 51.16 2a7a n ASN 104 Cb 0.52 -0.65 -0.07 0.00 -0.61 0.00 0.00 39.78 38.96 2a7a n ASN 104 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2a7a s THR 105 N -1.97 5.24 -0.23 3.41 2.01 -1.01 -1.74 115.64 121.35 2a7a s THR 105 Ca 0.38 0.68 -0.07 0.00 0.31 0.00 0.00 61.69 63.00 2a7a s THR 105 Cb 0.17 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 2a7a s THR 105 CO -0.06 0.32 0.05 -0.63 -0.69 0.00 0.00 174.62 173.61 2a7a s ILE 106 N 0.88 4.29 -0.11 1.82 -1.09 0.91 -0.45 121.20 127.45 2a7a s ILE 106 Ca 0.19 -0.19 0.20 0.00 -2.23 0.00 0.00 60.65 58.63 2a7a s ILE 106 Cb -0.14 -2.98 -0.25 0.00 -1.58 0.00 0.00 42.46 37.51 2a7a s ILE 106 CO 0.07 0.37 0.49 0.18 -1.23 0.00 0.00 174.94 174.82 2a7a n LEU 107 N 4.62 0.24 -3.51 2.97 4.77 0.44 -1.64 117.00 124.89 2a7a n LEU 107 Ca -0.16 0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 55.78 2a7a n LEU 107 Cb 0.52 0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 2a7a n LEU 107 CO 0.31 0.14 0.35 -0.94 -1.33 0.00 0.00 177.39 175.92 2a7a s SER 108 N -5.08 -0.52 -0.25 -1.43 1.04 -1.19 -4.53 113.70 101.74 2a7a s SER 108 Ca -0.07 0.18 -0.12 0.00 0.48 0.00 0.00 55.95 56.42 2a7a s SER 108 Cb 0.11 0.54 0.08 0.00 0.10 0.00 0.00 66.02 66.85 2a7a s SER 108 CO 0.86 -0.80 0.58 0.86 0.98 0.00 0.00 173.24 175.72 2a7a s TRP 109 N -2.80 -0.97 0.08 5.02 -0.00 -0.20 -1.00 118.94 119.08 2a7a s TRP 109 Ca -0.03 1.88 0.02 0.00 -0.00 0.00 0.00 56.10 57.97 2a7a s TRP 109 Cb -0.00 0.53 -0.03 0.00 -0.00 0.00 0.00 33.47 33.97 2a7a s TRP 109 CO -0.04 -0.50 -0.08 -1.54 -0.00 0.00 0.00 176.95 174.78 2a7a s SER 110 N 1.90 1.15 -0.17 5.86 1.04 0.68 -0.39 113.70 123.76 2a7a s SER 110 Ca -0.08 -0.80 -0.15 0.00 0.48 0.00 0.00 55.95 55.40 2a7a s SER 110 Cb -0.08 0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.14 2a7a s SER 110 CO -0.17 -0.32 0.45 0.12 0.98 0.00 0.00 173.24 174.30 2a7a s PHE 111 N -2.55 -0.52 -0.02 5.02 5.36 -0.35 -0.92 117.98 124.00 2a7a s PHE 111 Ca 0.03 1.24 0.01 0.00 -0.96 0.00 0.00 56.93 57.25 2a7a s PHE 111 Cb -0.02 0.20 0.01 0.00 -0.34 0.00 0.00 43.02 42.87 2a7a s PHE 111 CO -0.02 -0.26 -0.02 0.99 -1.46 0.00 0.00 175.22 174.45 2a7a s THR 112 N 0.46 0.24 0.08 0.12 2.01 -0.17 -1.32 115.64 117.05 2a7a s THR 112 Ca -0.02 -0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.01 2a7a s THR 112 Cb -0.04 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 2a7a s THR 112 CO -0.02 0.11 -0.18 -0.94 -0.69 0.00 0.00 174.62 172.91 2a7a s SER 113 N 0.44 2.10 -0.02 3.53 1.04 0.10 -0.57 113.70 120.32 2a7a s SER 113 Ca -0.04 -0.61 -0.01 0.00 0.48 0.00 0.00 55.95 55.77 2a7a s SER 113 Cb -0.07 -0.11 0.02 0.00 0.10 0.00 0.00 66.02 65.95 2a7a s SER 113 CO -0.01 0.02 0.04 -0.54 0.98 0.00 0.00 173.24 173.73 2a7a s LYS 114 N -1.66 0.01 -0.15 4.02 1.02 0.04 -1.37 119.74 121.65 2a7a s LYS 114 Ca 0.03 0.12 0.01 0.00 0.02 0.00 0.00 55.97 56.15 2a7a s LYS 114 Cb -0.10 -0.09 0.02 0.00 -0.52 0.00 0.00 37.83 37.14 2a7a s LYS 114 CO 0.03 -0.08 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.72 2a7a s LEU 115 N 0.49 1.78 -0.20 3.17 1.43 0.13 -0.79 118.68 124.68 2a7a s LEU 115 Ca -0.04 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.51 2a7a s LEU 115 Cb -0.06 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 2a7a s LEU 115 CO -0.02 -0.04 -0.04 -0.54 0.23 0.00 0.00 176.35 175.94 2a7a s LYS 116 N 1.42 3.46 0.71 1.70 1.02 0.79 -0.87 119.74 127.98 2a7a s LYS 116 Ca 0.04 -0.60 -0.03 0.00 0.02 0.00 0.00 55.97 55.41 2a7a s LYS 116 Cb -0.13 -2.98 0.15 0.00 -0.52 0.00 0.00 37.83 34.35 2a7a s LYS 116 CO -0.11 -0.06 0.97 -1.13 -0.92 0.00 0.00 175.35 174.11 2a7a n SER 117 N 4.41 1.00 -0.29 2.83 3.41 0.78 0.57 113.62 126.34 2a7a n SER 117 Ca -0.18 -1.92 0.14 0.00 -0.26 0.00 0.00 58.87 56.65 2a7a n SER 117 Cb 0.51 -0.66 0.47 0.00 -0.26 0.00 0.00 64.21 64.28 2a7a n SER 117 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2a7a n ASN 118 N -3.09 1.05 -4.75 4.04 6.94 -0.84 -4.58 115.26 114.02 2a7a n ASN 118 Ca 0.15 -1.03 -0.40 0.00 -0.02 0.00 0.00 54.58 53.28 2a7a n ASN 118 Cb 0.54 0.06 -0.04 0.00 -2.36 0.00 0.00 39.78 37.97 2a7a n ASN 118 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2a7a s SER 119 N -2.34 7.25 0.26 0.53 1.04 -1.26 -4.94 113.70 114.24 2a7a s SER 119 Ca 0.30 2.25 -0.03 0.00 0.48 0.00 0.00 55.95 58.95 2a7a s SER 119 Cb 0.20 -2.62 0.43 0.00 0.10 0.00 0.00 66.02 64.13 2a7a s SER 119 CO 0.45 -0.17 1.83 0.71 0.98 0.00 0.00 173.24 177.05 2a7a h THR 120 N 3.22 0.95 -0.42 2.02 1.35 -2.04 -2.82 112.91 115.16 2a7a h THR 120 Ca -0.46 -0.32 -0.29 0.00 -0.55 0.00 0.00 66.41 64.79 2a7a h THR 120 Cb 1.21 -0.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.55 2a7a h THR 120 CO 0.68 0.17 0.94 -1.00 -0.25 0.00 0.00 175.52 176.06 2a7a s HIS 121 N -6.02 1.86 -0.24 4.73 3.76 -1.26 -4.84 115.29 113.28 2a7a s HIS 121 Ca -0.12 0.70 0.19 0.00 -0.15 0.00 0.00 55.06 55.68 2a7a s HIS 121 Cb 0.20 -3.91 0.09 0.00 1.11 0.00 0.00 32.58 30.07 2a7a s HIS 121 CO 0.79 -1.13 1.29 1.05 -0.85 0.00 0.00 174.74 175.89 2a7a h GLU 122 N 9.97 0.00 -5.44 1.40 9.09 -1.80 -3.46 114.58 124.34 2a7a h GLU 122 Ca 0.19 0.00 -0.65 0.00 0.05 0.00 0.00 59.36 58.95 2a7a h GLU 122 Cb 0.95 0.00 -0.24 0.00 -1.65 0.00 0.00 28.75 27.81 2a7a h GLU 122 CO 1.20 0.22 -0.72 0.99 0.05 0.00 0.00 179.01 180.75 2a7a s THR 123 N -3.10 3.44 -0.16 -1.06 2.01 -1.26 -0.15 115.64 115.36 2a7a s THR 123 Ca 0.03 -0.53 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 2a7a s THR 123 Cb 0.07 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 2a7a s THR 123 CO 0.75 0.52 0.02 0.20 -0.69 0.00 0.00 174.62 175.42 2a7a s ASN 124 N 0.19 5.29 0.02 3.53 -0.87 -0.05 -4.98 114.94 118.07 2a7a s ASN 124 Ca -0.05 0.01 -0.03 0.00 -1.57 0.00 0.00 52.86 51.22 2a7a s ASN 124 Cb -0.15 -1.86 -0.01 0.00 -0.02 0.00 0.00 41.25 39.22 2a7a s ASN 124 CO 0.04 0.19 0.05 0.00 -2.57 0.00 0.00 177.10 174.81 2a7a s ALA 125 N 0.24 -0.05 -0.03 0.60 0.00 -1.26 0.19 121.76 121.45 2a7a s ALA 125 Ca 0.01 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 51.54 2a7a s ALA 125 Cb -0.13 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2a7a s ALA 125 CO 0.01 -0.21 -0.08 -1.17 0.00 0.00 0.00 175.76 174.32 2a7a s LEU 126 N -1.58 1.66 -0.00 0.00 2.96 -0.47 -4.99 118.68 116.26 2a7a s LEU 126 Ca -0.13 -0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 53.60 2a7a s LEU 126 Cb -0.07 -0.52 0.00 0.00 0.50 0.00 0.00 46.19 46.10 2a7a s LEU 126 CO -0.01 0.03 0.01 -2.28 -1.32 0.00 0.00 176.35 172.78 2a7a s HIS 127 N 0.41 -0.00 0.06 5.38 5.65 -1.26 -0.72 115.29 124.80 2a7a s HIS 127 Ca -0.06 0.03 0.01 0.00 0.25 0.00 0.00 55.06 55.30 2a7a s HIS 127 Cb -0.10 -0.03 -0.03 0.00 -1.18 0.00 0.00 32.58 31.24 2a7a s HIS 127 CO 0.01 -0.02 -0.06 -0.59 -0.65 0.00 0.00 174.74 173.43 2a7a s PHE 128 N 0.14 0.65 -0.09 3.88 -0.12 -0.43 -5.00 117.98 117.02 2a7a s PHE 128 Ca -0.01 -0.70 -0.04 0.00 -0.05 0.00 0.00 56.93 56.14 2a7a s PHE 128 Cb -0.02 -0.40 0.05 0.00 -0.63 0.00 0.00 43.02 42.02 2a7a s PHE 128 CO -0.00 -0.16 0.18 1.41 -0.05 0.00 0.00 175.22 176.60 2a7a s MET 129 N -2.51 0.10 -0.19 1.99 1.75 -1.26 -1.21 119.30 117.97 2a7a s MET 129 Ca -0.02 0.51 -0.03 0.00 -1.25 0.00 0.00 55.69 54.89 2a7a s MET 129 Cb -0.03 -0.18 -0.01 0.00 2.84 0.00 0.00 34.83 37.44 2a7a s MET 129 CO -0.03 -0.23 -0.05 -0.06 -0.65 0.00 0.00 175.02 174.00 2a7a s PHE 130 N 1.71 2.95 -0.23 4.11 0.40 0.47 -4.93 117.98 122.46 2a7a s PHE 130 Ca -0.04 -0.75 0.06 0.00 -0.60 0.00 0.00 56.93 55.60 2a7a s PHE 130 Cb -0.12 -2.03 -0.06 0.00 0.51 0.00 0.00 43.02 41.32 2a7a s PHE 130 CO -0.07 -0.39 0.22 0.09 0.70 0.00 0.00 175.22 175.78 2a7a n ASN 131 N 4.34 0.69 -3.83 1.36 3.02 -1.26 -1.03 115.26 118.55 2a7a n ASN 131 Ca -0.18 -0.55 -0.12 0.00 -0.03 0.00 0.00 54.58 53.70 2a7a n ASN 131 Cb 0.51 1.03 -0.13 0.00 -0.61 0.00 0.00 39.78 40.59 2a7a n ASN 131 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2a7a s GLN 132 N -1.63 0.13 -0.10 3.52 -2.07 -1.26 -4.76 119.66 113.49 2a7a s GLN 132 Ca 0.02 0.14 -0.02 0.00 -1.82 0.00 0.00 55.36 53.68 2a7a s GLN 132 Cb 0.04 0.06 -0.03 0.00 -1.09 0.00 0.00 33.01 31.99 2a7a s GLN 132 CO 0.23 -0.02 -0.01 -0.06 -1.32 0.00 0.00 175.29 174.11 2a7a s PHE 133 N 0.04 3.10 0.23 9.60 0.40 0.10 -5.01 117.98 126.44 2a7a s PHE 133 Ca -0.00 0.08 0.06 0.00 -0.60 0.00 0.00 56.93 56.47 2a7a s PHE 133 Cb -0.01 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.67 2a7a s PHE 133 CO 0.00 0.35 0.23 0.45 0.70 0.00 0.00 175.22 176.95 2a7a s SER 134 N -0.62 5.73 0.30 1.36 0.15 -1.26 -3.54 113.70 115.81 2a7a s SER 134 Ca 0.10 -0.14 0.05 0.00 0.70 0.00 0.00 55.95 56.66 2a7a s SER 134 Cb -0.12 -1.53 0.76 0.00 -1.71 0.00 0.00 66.02 63.42 2a7a s SER 134 CO 0.02 -0.02 1.71 0.50 1.20 0.00 0.00 173.24 176.65 2a7a h LYS 135 N 1.59 0.46 -3.35 5.44 3.11 -1.83 -3.20 116.57 118.80 2a7a h LYS 135 Ca -0.49 -0.03 -0.65 0.00 -2.81 0.00 0.00 60.65 56.67 2a7a h LYS 135 Cb 1.23 -0.10 -0.40 0.00 -1.00 0.00 0.00 32.23 31.95 2a7a h LYS 135 CO 0.62 0.30 -0.56 0.34 -2.81 0.00 0.00 179.45 177.34 2a7a s ASP 136 N -5.20 4.61 -0.91 4.20 2.15 -1.26 -4.61 116.67 115.65 2a7a s ASP 136 Ca -0.11 -3.18 -0.14 0.00 0.43 0.00 0.00 52.55 49.54 2a7a s ASP 136 Cb 0.26 -1.68 0.21 0.00 -0.30 0.00 0.00 42.92 41.40 2a7a s ASP 136 CO 0.78 -0.22 0.93 -1.58 -0.17 0.00 0.00 175.17 174.91 2a7a s GLN 137 N -0.53 3.72 0.46 4.34 2.00 -1.21 -4.88 119.66 123.56 2a7a s GLN 137 Ca 0.19 -2.45 0.31 0.00 -2.00 0.00 0.00 55.36 51.41 2a7a s GLN 137 Cb -0.20 -4.58 1.39 0.00 0.80 0.00 0.00 33.01 30.42 2a7a s GLN 137 CO -0.04 -1.40 1.93 0.87 -0.50 0.00 0.00 175.29 176.15 2a7a h LYS 138 N 7.78 0.00 -0.58 1.67 1.57 -1.95 -1.52 116.57 123.54 2a7a h LYS 138 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2a7a h LYS 138 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2a7a h LYS 138 CO 0.89 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.37 2a7a n ASP 139 N -2.75 3.20 -4.24 0.86 5.68 -1.26 -4.81 116.55 113.22 2a7a n ASP 139 Ca 0.00 -2.22 -0.27 0.00 -0.50 0.00 0.00 54.79 51.81 2a7a n ASP 139 Cb 0.22 -0.44 -0.15 0.00 -1.14 0.00 0.00 41.12 39.62 2a7a n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2a7a s LEU 140 N -1.30 2.10 -0.37 -2.12 1.43 -0.57 -0.64 118.68 117.21 2a7a s LEU 140 Ca 0.34 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.86 2a7a s LEU 140 Cb 0.21 -1.05 0.01 0.00 0.03 0.00 0.00 46.19 45.39 2a7a s LEU 140 CO 0.18 0.21 0.24 -0.63 0.23 0.00 0.00 176.35 176.59 2a7a s ILE 141 N -0.65 5.00 -0.07 -0.59 1.01 0.39 -4.87 121.20 121.42 2a7a s ILE 141 Ca 0.08 -0.58 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 2a7a s ILE 141 Cb -0.09 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 2a7a s ILE 141 CO 0.01 -0.17 0.35 -0.76 0.00 0.00 0.00 174.94 174.36 2a7a s LEU 142 N 1.65 4.38 0.15 2.97 1.43 -1.26 -0.52 118.68 127.47 2a7a s LEU 142 Ca 0.04 0.76 0.08 0.00 -1.03 0.00 0.00 54.13 53.99 2a7a s LEU 142 Cb -0.18 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 2a7a s LEU 142 CO 0.09 0.24 -0.18 -1.10 0.23 0.00 0.00 176.35 175.63 2a7a s GLN 143 N -0.49 1.22 6.84 1.70 -0.21 0.38 -4.97 119.66 124.12 2a7a s GLN 143 Ca 0.21 -1.34 0.00 0.00 0.02 0.00 0.00 55.36 54.25 2a7a s GLN 143 Cb -0.15 -1.29 0.00 0.00 1.00 0.00 0.00 33.01 32.57 2a7a s GLN 143 CO 0.09 0.27 0.00 0.41 -2.12 0.00 0.00 175.29 173.94 2a7a n GLY 144 N 0.47 2.56 0.57 3.09 0.00 -1.26 -1.47 105.19 109.15 2a7a n GLY 144 Ca -0.15 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.65 2a7a n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a7a n ASP 145 N 4.44 1.73 -4.76 1.61 8.00 0.13 -4.93 116.55 122.78 2a7a n ASP 145 Ca 0.00 -1.64 -0.41 0.00 0.71 0.00 0.00 54.79 53.45 2a7a n ASP 145 Cb 0.00 -0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.03 2a7a n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a7a s ALA 146 N -1.89 3.63 0.08 2.24 0.00 -1.05 -4.44 121.76 120.33 2a7a s ALA 146 Ca 0.35 1.47 0.02 0.00 0.00 0.00 0.00 51.96 53.79 2a7a s ALA 146 Cb 0.19 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2a7a s ALA 146 CO 0.30 -0.89 -0.07 0.95 0.00 0.00 0.00 175.76 176.05 2a7a s THR 147 N -0.46 0.61 0.20 0.00 -4.23 -0.12 -4.72 115.64 106.92 2a7a s THR 147 Ca 0.57 -1.64 0.10 0.00 -1.18 0.00 0.00 61.69 59.55 2a7a s THR 147 Cb -0.45 -1.31 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 2a7a s THR 147 CO 0.52 -0.72 -0.20 0.42 -0.54 0.00 0.00 174.62 174.10 2a7a s THR 148 N -2.89 2.11 0.00 3.99 -4.23 -1.26 -0.58 115.64 112.78 2a7a s THR 148 Ca 0.04 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 2a7a s THR 148 Cb 0.00 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.80 2a7a s THR 148 CO -0.03 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 2a7a n GLY 149 N 0.02 0.54 3.58 3.99 0.00 -0.46 -4.06 105.19 108.80 2a7a n GLY 149 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2a7a n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a7a s THR 150 N -2.00 4.62 -1.38 2.61 2.01 -1.24 -3.42 115.64 116.84 2a7a s THR 150 Ca 0.00 0.92 0.00 0.00 0.31 0.00 0.00 61.69 62.92 2a7a s THR 150 Cb 0.00 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.20 2a7a s THR 150 CO 0.00 -0.58 0.00 0.47 -0.69 0.00 0.00 174.62 173.82 2a7a n ASP 151 N 6.73 -4.23 -0.70 3.53 8.00 -1.26 -1.53 116.55 127.08 2a7a n ASP 151 Ca 0.05 0.23 -0.09 0.00 0.71 0.00 0.00 54.79 55.69 2a7a n ASP 151 Cb 0.48 -3.69 -0.04 0.00 -0.02 0.00 0.00 41.12 37.85 2a7a n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a7a n GLY 152 N -0.62 1.02 3.81 0.44 0.00 -1.22 -4.98 105.19 103.64 2a7a n GLY 152 Ca -0.16 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 2a7a n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2a7a s ASN 153 N -2.58 4.86 -0.36 1.61 0.01 -0.58 0.00 114.94 117.90 2a7a s ASN 153 Ca 0.00 -0.80 -0.12 0.00 -0.71 0.00 0.00 52.86 51.23 2a7a s ASN 153 Cb 0.00 -0.63 0.01 0.00 0.41 0.00 0.00 41.25 41.03 2a7a s ASN 153 CO 0.00 -0.52 0.23 -0.22 -1.51 0.00 0.00 177.10 175.08 2a7a s LEU 154 N -4.00 4.65 -0.49 0.60 2.96 -0.65 -1.36 118.68 120.39 2a7a s LEU 154 Ca 0.43 -0.71 -0.17 0.00 -0.22 0.00 0.00 54.13 53.47 2a7a s LEU 154 Cb -0.02 -2.09 0.07 0.00 0.50 0.00 0.00 46.19 44.65 2a7a s LEU 154 CO 0.25 -0.32 0.48 -1.61 -1.32 0.00 0.00 176.35 173.83 2a7a s GLU 155 N 1.65 3.02 0.23 1.98 0.41 0.26 -0.06 118.70 126.19 2a7a s GLU 155 Ca 0.05 -1.22 0.01 0.00 -0.41 0.00 0.00 54.97 53.39 2a7a s GLU 155 Cb -0.18 -4.13 0.23 0.00 -1.78 0.00 0.00 34.13 28.27 2a7a s GLU 155 CO 0.09 -1.11 1.58 -0.07 -0.49 0.00 0.00 175.26 175.26 2a7a h LEU 156 N 9.07 0.47 -9.39 1.80 3.38 -1.60 -0.30 115.31 118.75 2a7a h LEU 156 Ca -0.28 -0.23 -0.61 0.00 0.09 0.00 0.00 57.88 56.85 2a7a h LEU 156 Cb 1.10 -0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.59 2a7a h LEU 156 CO 0.91 0.89 -0.69 0.42 0.09 0.00 0.00 178.44 180.07 2a7a s THR 157 N -4.04 2.20 0.19 0.22 -4.23 -1.26 -2.73 115.64 105.99 2a7a s THR 157 Ca -0.06 -2.21 -0.31 0.00 -1.18 0.00 0.00 61.69 57.93 2a7a s THR 157 Cb 0.12 -2.60 -0.09 0.00 1.34 0.00 0.00 72.50 71.27 2a7a s THR 157 CO 0.81 -0.23 1.42 -0.60 -0.54 0.00 0.00 174.62 175.49 2a7a s ARG 158 N -3.61 4.30 -0.02 3.99 6.06 -1.26 -4.73 118.95 123.67 2a7a s ARG 158 Ca 0.32 2.20 0.04 0.00 -2.50 0.00 0.00 55.73 55.78 2a7a s ARG 158 Cb 0.02 -3.17 -0.00 0.00 0.06 0.00 0.00 34.95 31.85 2a7a s ARG 158 CO 0.16 -0.42 -0.13 0.08 -2.50 0.00 0.00 175.30 172.48 2a7a s VAL 159 N 0.54 1.09 0.96 7.11 1.01 -1.26 -1.34 120.40 128.51 2a7a s VAL 159 Ca 0.62 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.91 2a7a s VAL 159 Cb -0.40 -0.93 0.17 0.00 0.00 0.00 0.00 36.38 35.23 2a7a s VAL 159 CO 0.36 0.32 1.19 -0.94 0.00 0.00 0.00 175.10 176.03 2a7a s SER 160 N -0.07 3.08 0.25 3.32 1.04 0.17 -4.91 113.70 116.58 2a7a s SER 160 Ca 0.00 0.69 -0.02 0.00 0.48 0.00 0.00 55.95 57.10 2a7a s SER 160 Cb -0.08 -1.05 0.48 0.00 0.10 0.00 0.00 66.02 65.48 2a7a s SER 160 CO 0.00 -2.79 1.77 0.28 0.98 0.00 0.00 173.24 173.48 2a7a h SER 161 N -1.67 0.51 0.00 7.02 0.02 -2.02 -1.21 113.55 116.20 2a7a h SER 161 Ca -0.47 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2a7a h SER 161 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2a7a h SER 161 CO 0.51 0.23 0.00 -0.46 -1.14 0.00 0.00 176.83 175.97 2a7a n ASN 162 N -4.87 0.00 0.00 3.07 0.23 -1.26 -4.84 115.26 107.59 2a7a n ASN 162 Ca 0.16 -1.20 0.00 0.00 -0.53 0.00 0.00 54.58 53.01 2a7a n ASN 162 Cb 0.39 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 2a7a n ASN 162 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2a7a n GLY 163 N 0.60 0.76 3.67 4.83 0.00 -0.46 -5.04 105.19 109.55 2a7a n GLY 163 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 2a7a n GLY 163 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a7a s SER 164 N -2.99 7.04 0.47 1.61 0.15 -1.26 -4.76 113.70 113.96 2a7a s SER 164 Ca 0.00 1.60 -0.23 0.00 0.70 0.00 0.00 55.95 58.03 2a7a s SER 164 Cb 0.00 -2.54 -0.07 0.00 -1.71 0.00 0.00 66.02 61.69 2a7a s SER 164 CO 0.00 -0.68 1.17 -2.16 1.20 0.00 0.00 173.24 172.78 2a7a s PRO 165 N 3.06 3.72 0.04 5.44 0.04 -1.26 -0.65 135.00 145.38 2a7a s PRO 165 Ca 0.51 1.79 0.01 0.00 0.04 0.00 0.00 61.00 63.35 2a7a s PRO 165 Cb -0.20 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 2a7a s PRO 165 CO 0.14 -0.59 0.08 -0.65 0.04 0.00 0.00 177.00 176.02 2a7a s GLN 166 N -2.72 2.97 0.90 4.56 -1.52 -0.45 -4.82 119.66 118.58 2a7a s GLN 166 Ca 0.64 -0.59 -0.13 0.00 -1.95 0.00 0.00 55.36 53.33 2a7a s GLN 166 Cb -0.29 -2.79 0.14 0.00 -0.22 0.00 0.00 33.01 29.85 2a7a s GLN 166 CO 0.35 0.61 1.17 0.20 -0.25 0.00 0.00 175.29 177.37 2a7a s GLY 167 N -2.05 1.61 -1.43 3.09 0.00 -1.26 -4.39 107.32 102.89 2a7a s GLY 167 Ca 0.26 -0.68 -0.03 0.00 0.00 0.00 0.00 44.72 44.27 2a7a s GLY 167 CO 0.18 -0.10 0.57 1.44 0.00 0.00 0.00 173.10 175.19 2a7a n SER 168 N -3.68 -1.19 -4.30 1.64 7.64 0.44 -4.84 113.62 109.33 2a7a n SER 168 Ca 0.09 -0.95 -0.28 0.00 1.01 0.00 0.00 58.87 58.74 2a7a n SER 168 Cb 0.60 -3.32 -0.14 0.00 -1.01 0.00 0.00 64.21 60.33 2a7a n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2a7a s SER 169 N -4.17 2.83 -0.06 6.43 0.15 -1.12 -4.95 113.70 112.81 2a7a s SER 169 Ca 0.14 -0.58 -0.07 0.00 0.70 0.00 0.00 55.95 56.14 2a7a s SER 169 Cb -0.07 -0.24 0.02 0.00 -1.71 0.00 0.00 66.02 64.02 2a7a s SER 169 CO 0.87 0.20 0.18 0.54 1.20 0.00 0.00 173.24 176.23 2a7a s VAL 170 N -0.84 0.01 -0.09 4.45 0.11 -1.26 -0.41 120.40 122.37 2a7a s VAL 170 Ca 0.10 -0.10 -0.28 0.00 -2.93 0.00 0.00 61.98 58.76 2a7a s VAL 170 Cb -0.09 -0.29 0.07 0.00 -1.53 0.00 0.00 36.38 34.53 2a7a s VAL 170 CO 0.02 -0.06 0.65 -0.83 -3.33 0.00 0.00 175.10 171.56 2a7a s GLY 171 N -0.13 -0.53 0.08 6.54 0.00 -0.88 0.22 107.32 112.63 2a7a s GLY 171 Ca -0.02 1.35 -0.01 0.00 0.00 0.00 0.00 44.72 46.05 2a7a s GLY 171 CO 0.00 1.03 -0.01 0.50 0.00 0.00 0.00 173.10 174.62 2a7a s ARG 172 N -0.90 0.75 -0.04 2.90 0.52 -0.54 -1.48 118.95 120.17 2a7a s ARG 172 Ca -0.09 -1.31 -0.00 0.00 -0.52 0.00 0.00 55.73 53.81 2a7a s ARG 172 Cb -0.01 0.15 0.03 0.00 0.52 0.00 0.00 34.95 35.63 2a7a s ARG 172 CO 0.08 -0.14 0.00 0.00 0.02 0.00 0.00 175.30 175.26 2a7a s ALA 173 N -3.91 0.41 0.07 2.13 0.00 0.10 -0.47 121.76 120.09 2a7a s ALA 173 Ca 0.13 0.09 0.09 0.00 0.00 0.00 0.00 51.96 52.28 2a7a s ALA 173 Cb 0.07 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 2a7a s ALA 173 CO -0.05 -0.17 -0.25 -0.51 0.00 0.00 0.00 175.76 174.78 2a7a s LEU 174 N 1.28 2.29 0.40 0.00 1.02 0.32 -0.70 118.68 123.29 2a7a s LEU 174 Ca -0.06 -0.60 -0.25 0.00 0.02 0.00 0.00 54.13 53.24 2a7a s LEU 174 Cb -0.13 -1.32 -0.08 0.00 0.02 0.00 0.00 46.19 44.68 2a7a s LEU 174 CO -0.02 0.24 1.16 0.12 0.02 0.00 0.00 176.35 177.87 2a7a s PHE 175 N -0.89 3.08 0.18 0.29 5.36 -0.39 -0.46 117.98 125.15 2a7a s PHE 175 Ca 0.13 1.56 -0.10 0.00 -0.96 0.00 0.00 56.93 57.56 2a7a s PHE 175 Cb -0.10 -3.38 0.08 0.00 -0.34 0.00 0.00 43.02 39.28 2a7a s PHE 175 CO 0.04 -1.28 1.68 -0.92 -1.46 0.00 0.00 175.22 173.27 2a7a h TYR 176 N 2.62 1.12 -3.46 10.12 3.20 -1.21 -3.43 116.97 125.92 2a7a h TYR 176 Ca -0.49 -0.16 -0.54 0.00 3.14 0.00 0.00 58.73 60.69 2a7a h TYR 176 Cb 1.23 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 2a7a h TYR 176 CO 0.55 0.95 0.23 0.00 -1.64 0.00 0.00 178.16 178.25 2a7a s ALA 177 N -5.21 3.31 0.86 1.82 0.00 -1.26 -5.02 121.76 116.27 2a7a s ALA 177 Ca -0.12 0.37 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 2a7a s ALA 177 Cb 0.14 -3.10 0.11 0.00 0.00 0.00 0.00 23.12 20.27 2a7a s ALA 177 CO 0.84 0.00 1.18 -2.14 0.00 0.00 0.00 175.76 175.64 2a7a s PRO 178 N 0.11 1.32 -0.08 0.00 0.02 -1.26 -4.80 135.00 130.31 2a7a s PRO 178 Ca 0.42 1.65 0.03 0.00 0.02 0.00 0.00 61.00 63.12 2a7a s PRO 178 Cb -0.21 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.56 2a7a s PRO 178 CO 0.25 -2.43 -0.20 0.08 -0.33 0.00 0.00 177.00 174.37 2a7a s VAL 179 N -2.41 1.72 -0.31 3.83 1.01 0.10 -4.94 120.40 119.41 2a7a s VAL 179 Ca 0.70 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 2a7a s VAL 179 Cb -0.26 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 2a7a s VAL 179 CO 0.54 0.49 0.55 -2.28 0.00 0.00 0.00 175.10 174.40 2a7a s HIS 180 N 0.43 3.21 -1.30 5.22 2.46 -1.26 -1.02 115.29 123.03 2a7a s HIS 180 Ca -0.17 0.46 0.12 0.00 0.47 0.00 0.00 55.06 55.94 2a7a s HIS 180 Cb -0.17 -2.89 0.05 0.00 -0.13 0.00 0.00 32.58 29.44 2a7a s HIS 180 CO 0.07 -0.44 0.79 0.44 -2.47 0.00 0.00 174.74 173.13 2a7a n ILE 181 N 5.34 0.00 -3.80 0.89 -5.35 -0.41 -4.87 119.36 111.16 2a7a n ILE 181 Ca -0.03 -0.44 -0.12 0.00 -0.27 0.00 0.00 62.75 61.88 2a7a n ILE 181 Cb 0.49 1.20 -0.11 0.00 -1.74 0.00 0.00 39.64 39.48 2a7a n ILE 181 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 2a7a s TRP 182 N -1.23 -0.20 0.03 4.28 -0.00 -1.23 -4.92 118.94 115.66 2a7a s TRP 182 Ca 0.12 0.47 -0.00 0.00 -0.00 0.00 0.00 56.10 56.69 2a7a s TRP 182 Cb 0.10 0.07 -0.02 0.00 -0.00 0.00 0.00 33.47 33.61 2a7a s TRP 182 CO 0.22 -0.16 -0.03 -2.00 -0.00 0.00 0.00 176.95 174.98 2a7a s GLU 183 N -0.18 0.38 0.39 5.86 -6.30 -1.26 -4.91 118.70 112.69 2a7a s GLU 183 Ca -0.03 -0.74 0.16 0.00 -2.50 0.00 0.00 54.97 51.86 2a7a s GLU 183 Cb -0.03 0.12 0.82 0.00 0.00 0.00 0.00 34.13 35.04 2a7a s GLU 183 CO 0.01 -0.06 1.85 0.66 0.02 0.00 0.00 175.26 177.73 2a7a h SER 184 N 4.34 0.00 -0.38 -1.70 4.64 -2.02 -1.95 113.55 116.49 2a7a h SER 184 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2a7a h SER 184 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2a7a h SER 184 CO 0.46 0.34 0.00 -1.54 -0.87 0.00 0.00 176.83 175.22 2a7a n SER 185 N -3.94 2.88 -4.74 4.97 3.41 -1.26 -4.95 113.62 109.98 2a7a n SER 185 Ca -0.02 -1.92 -0.41 0.00 -0.26 0.00 0.00 58.87 56.26 2a7a n SER 185 Cb 0.40 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 2a7a n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a7a s ALA 186 N -1.51 3.55 -0.03 7.33 0.00 -0.73 -1.98 121.76 128.39 2a7a s ALA 186 Ca 0.37 1.19 0.13 0.00 0.00 0.00 0.00 51.96 53.65 2a7a s ALA 186 Cb 0.21 -3.50 -0.20 0.00 0.00 0.00 0.00 23.12 19.63 2a7a s ALA 186 CO 0.29 -0.61 0.26 1.33 0.00 0.00 0.00 175.76 177.03 2a7a n VAL 187 N 2.25 0.10 -3.76 0.00 0.24 0.19 -4.89 118.33 112.46 2a7a n VAL 187 Ca 0.05 -0.33 -0.13 0.00 -2.04 0.00 0.00 64.34 61.90 2a7a n VAL 187 Cb 0.42 0.09 -0.13 0.00 -1.47 0.00 0.00 33.84 32.76 2a7a n VAL 187 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2a7a s VAL 188 N -2.84 -0.02 -0.05 3.34 1.01 -1.03 -4.85 120.40 115.96 2a7a s VAL 188 Ca -0.05 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.06 2a7a s VAL 188 Cb 0.08 -0.36 -0.00 0.00 0.00 0.00 0.00 36.38 36.10 2a7a s VAL 188 CO 0.54 0.03 -0.18 0.00 0.00 0.00 0.00 175.10 175.50 2a7a s ALA 189 N 0.77 1.61 0.07 5.51 0.00 -1.26 -0.15 121.76 128.30 2a7a s ALA 189 Ca -0.05 -0.72 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 2a7a s ALA 189 Cb -0.07 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 2a7a s ALA 189 CO -0.05 0.27 0.10 -1.54 0.00 0.00 0.00 175.76 174.55 2a7a s SER 190 N 0.11 0.25 0.05 0.00 1.04 0.02 0.06 113.70 115.24 2a7a s SER 190 Ca -0.06 -0.73 -0.08 0.00 0.48 0.00 0.00 55.95 55.55 2a7a s SER 190 Cb -0.13 0.27 -0.00 0.00 0.10 0.00 0.00 66.02 66.26 2a7a s SER 190 CO 0.03 -0.64 0.16 0.72 0.98 0.00 0.00 173.24 174.49 2a7a s PHE 191 N -3.63 0.13 0.02 5.02 -0.12 -0.24 -0.78 117.98 118.38 2a7a s PHE 191 Ca 0.04 -0.44 0.00 0.00 -0.05 0.00 0.00 56.93 56.48 2a7a s PHE 191 Cb 0.05 -0.08 -0.02 0.00 -0.63 0.00 0.00 43.02 42.34 2a7a s PHE 191 CO -0.09 -0.45 -0.03 -1.83 -0.05 0.00 0.00 175.22 172.77 2a7a s GLU 192 N -2.99 0.29 0.03 1.99 -1.05 0.26 -1.56 118.70 115.67 2a7a s GLU 192 Ca -0.02 -0.58 0.01 0.00 -0.15 0.00 0.00 54.97 54.23 2a7a s GLU 192 Cb 0.01 0.10 -0.02 0.00 -0.44 0.00 0.00 34.13 33.78 2a7a s GLU 192 CO -0.06 -0.05 -0.05 0.00 0.95 0.00 0.00 175.26 176.05 2a7a s ALA 193 N -1.38 0.31 -0.00 -0.84 0.00 0.27 -1.00 121.76 119.12 2a7a s ALA 193 Ca -0.15 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.20 2a7a s ALA 193 Cb -0.09 0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.11 2a7a s ALA 193 CO -0.01 -0.08 -0.02 0.99 0.00 0.00 0.00 175.76 176.64 2a7a s THR 194 N -1.29 0.13 0.05 0.00 2.01 -0.10 -0.44 115.64 116.00 2a7a s THR 194 Ca -0.12 -0.07 -0.06 0.00 0.31 0.00 0.00 61.69 61.75 2a7a s THR 194 Cb -0.09 -0.12 -0.01 0.00 0.01 0.00 0.00 72.50 72.29 2a7a s THR 194 CO -0.00 0.04 0.10 0.72 -0.69 0.00 0.00 174.62 174.78 2a7a s PHE 195 N -0.04 0.22 0.00 4.92 -0.71 -0.44 -0.23 117.98 121.71 2a7a s PHE 195 Ca 0.01 -0.57 0.07 0.00 -1.04 0.00 0.00 56.93 55.39 2a7a s PHE 195 Cb -0.01 -0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.62 2a7a s PHE 195 CO -0.00 -0.40 -0.20 0.95 -1.34 0.00 0.00 175.22 174.23 2a7a s THR 196 N -2.97 2.60 0.03 -4.49 -4.23 -0.17 -1.10 115.64 105.31 2a7a s THR 196 Ca -0.02 -1.08 -0.03 0.00 -1.18 0.00 0.00 61.69 59.39 2a7a s THR 196 Cb 0.01 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.81 2a7a s THR 196 CO -0.06 0.46 0.03 0.72 -0.54 0.00 0.00 174.62 175.24 2a7a s PHE 197 N -0.78 0.28 -0.21 3.99 -0.71 -0.56 -0.42 117.98 119.57 2a7a s PHE 197 Ca 0.12 -0.62 -0.01 0.00 -1.04 0.00 0.00 56.93 55.38 2a7a s PHE 197 Cb -0.10 -0.21 0.06 0.00 -1.21 0.00 0.00 43.02 41.56 2a7a s PHE 197 CO 0.02 -0.32 0.00 -1.17 -1.34 0.00 0.00 175.22 172.42 2a7a s LEU 198 N -2.08 1.73 -0.27 -1.99 2.96 0.41 -1.15 118.68 118.28 2a7a s LEU 198 Ca -0.06 -0.98 -0.07 0.00 -0.22 0.00 0.00 54.13 52.80 2a7a s LEU 198 Cb -0.02 -0.82 -0.01 0.00 0.50 0.00 0.00 46.19 45.84 2a7a s LEU 198 CO -0.05 -0.28 0.08 -0.63 -1.32 0.00 0.00 176.35 174.16 2a7a s ILE 199 N 1.68 4.23 0.03 6.68 1.01 -1.26 -2.41 121.20 131.15 2a7a s ILE 199 Ca -0.03 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.25 2a7a s ILE 199 Cb -0.18 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 2a7a s ILE 199 CO -0.08 0.21 -0.06 -1.59 0.00 0.00 0.00 174.94 173.42 2a7a s LYS 200 N 1.58 0.44 -0.10 2.79 -2.85 -1.25 -0.54 119.74 119.81 2a7a s LYS 200 Ca 0.05 -0.56 -0.08 0.00 -1.00 0.00 0.00 55.97 54.37 2a7a s LYS 200 Cb -0.16 -0.24 0.03 0.00 -2.06 0.00 0.00 37.83 35.40 2a7a s LYS 200 CO 0.03 0.04 0.26 0.45 0.10 0.00 0.00 175.35 176.24 2a7a s SER 201 N -1.14 -0.27 0.00 0.03 0.15 -1.26 0.22 113.70 111.42 2a7a s SER 201 Ca -0.08 0.53 0.16 0.00 0.70 0.00 0.00 55.95 57.26 2a7a s SER 201 Cb -0.08 0.51 0.75 0.00 -1.71 0.00 0.00 66.02 65.49 2a7a s SER 201 CO 0.00 -0.11 1.46 -0.81 1.20 0.00 0.00 173.24 174.99 2a7a n PRO 202 N 3.20 0.15 -4.11 5.44 -0.04 -1.26 -4.82 135.00 133.56 2a7a n PRO 202 Ca -0.15 0.17 -0.29 0.00 -0.04 0.00 0.00 63.50 63.19 2a7a n PRO 202 Cb 0.57 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 2a7a n PRO 202 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2a7a s ASP 203 N -2.72 5.25 0.59 3.54 1.01 -1.26 -5.02 116.67 118.06 2a7a s ASP 203 Ca 0.12 -0.15 0.36 0.00 0.71 0.00 0.00 52.55 53.59 2a7a s ASP 203 Cb 0.10 -1.31 1.77 0.00 1.01 0.00 0.00 42.92 44.49 2a7a s ASP 203 CO 0.25 0.13 2.14 0.28 0.21 0.00 0.00 175.17 178.19 2a7a h SER 204 N 3.02 0.00 -3.17 0.27 0.02 -1.98 -3.33 113.55 108.39 2a7a h SER 204 Ca -0.47 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.86 2a7a h SER 204 Cb 1.18 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 63.30 2a7a h SER 204 CO 0.62 0.03 -0.61 -1.00 -1.14 0.00 0.00 176.83 174.73 2a7a s HIS 205 N -3.96 3.35 0.79 3.45 3.76 -1.26 -5.09 115.29 116.33 2a7a s HIS 205 Ca -0.02 -3.25 -0.11 0.00 -0.15 0.00 0.00 55.06 51.53 2a7a s HIS 205 Cb 0.11 -2.58 0.07 0.00 1.11 0.00 0.00 32.58 31.29 2a7a s HIS 205 CO 0.51 -0.58 1.09 -1.25 -0.85 0.00 0.00 174.74 173.65 2a7a s PRO 206 N -1.23 2.14 0.02 8.40 0.04 -1.25 -4.30 135.00 138.81 2a7a s PRO 206 Ca 0.25 0.81 -0.28 0.00 0.04 0.00 0.00 61.00 61.82 2a7a s PRO 206 Cb -0.06 -1.91 0.09 0.00 0.04 0.00 0.00 34.50 32.66 2a7a s PRO 206 CO -0.15 -1.63 0.77 0.00 0.04 0.00 0.00 177.00 176.03 2a7a s ALA 207 N -3.06 -1.76 -0.04 8.56 0.00 -1.21 -4.14 121.76 120.11 2a7a s ALA 207 Ca 0.61 0.99 0.06 0.00 0.00 0.00 0.00 51.96 53.62 2a7a s ALA 207 Cb -0.15 0.32 -0.08 0.00 0.00 0.00 0.00 23.12 23.20 2a7a s ALA 207 CO 0.55 -0.59 0.07 -0.25 0.00 0.00 0.00 175.76 175.54 2a7a n ASP 208 N 0.10 3.53 0.00 0.00 8.00 0.00 -2.57 116.55 125.61 2a7a n ASP 208 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 2a7a n ASP 208 Cb 0.61 0.92 0.00 0.00 -0.02 0.00 0.00 41.12 42.64 2a7a n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a7a n GLY 209 N 2.42 0.25 3.13 0.44 0.00 -1.22 -1.50 105.19 108.70 2a7a n GLY 209 Ca -0.06 -1.81 -0.19 0.00 0.00 0.00 0.00 46.02 43.96 2a7a n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a7a s ILE 210 N -1.43 1.02 0.02 -0.61 1.01 -0.58 -2.60 121.20 118.04 2a7a s ILE 210 Ca 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.71 2a7a s ILE 210 Cb 0.00 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 2a7a s ILE 210 CO 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 174.94 174.83 2a7a s ALA 211 N -0.86 0.70 -0.10 9.38 0.00 0.59 0.33 121.76 131.79 2a7a s ALA 211 Ca 0.00 -0.60 -0.15 0.00 0.00 0.00 0.00 51.96 51.22 2a7a s ALA 211 Cb -0.08 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2a7a s ALA 211 CO 0.01 0.09 0.36 0.12 0.00 0.00 0.00 175.76 176.35 2a7a s PHE 212 N -0.80 3.56 0.14 0.00 5.36 -0.57 -0.62 117.98 125.05 2a7a s PHE 212 Ca -0.03 0.78 -0.00 0.00 -0.96 0.00 0.00 56.93 56.72 2a7a s PHE 212 Cb -0.07 -2.36 -0.04 0.00 -0.34 0.00 0.00 43.02 40.21 2a7a s PHE 212 CO 0.00 0.36 0.04 -0.59 -1.46 0.00 0.00 175.22 173.57 2a7a s PHE 213 N -0.00 0.93 -0.01 10.12 -0.71 -0.06 -0.71 117.98 127.54 2a7a s PHE 213 Ca 0.21 -1.18 0.02 0.00 -1.04 0.00 0.00 56.93 54.94 2a7a s PHE 213 Cb -0.14 -0.53 -0.00 0.00 -1.21 0.00 0.00 43.02 41.14 2a7a s PHE 213 CO 0.08 -0.44 -0.08 0.42 -1.34 0.00 0.00 175.22 173.86 2a7a s ILE 214 N -3.95 0.67 0.24 -4.49 1.01 0.55 -0.83 121.20 114.39 2a7a s ILE 214 Ca 0.23 -0.33 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 2a7a s ILE 214 Cb 0.07 -0.58 -0.01 0.00 0.01 0.00 0.00 42.46 41.95 2a7a s ILE 214 CO 0.02 0.20 0.40 -0.55 0.00 0.00 0.00 174.94 175.01 2a7a s SER 215 N -0.01 -0.00 0.53 3.58 0.15 -0.25 -1.49 113.70 116.20 2a7a s SER 215 Ca 0.00 -1.05 -0.19 0.00 0.70 0.00 0.00 55.95 55.41 2a7a s SER 215 Cb -0.05 0.54 -0.10 0.00 -1.71 0.00 0.00 66.02 64.70 2a7a s SER 215 CO -0.00 -1.08 0.55 -0.46 1.20 0.00 0.00 173.24 173.45 2a7a n ASN 216 N -0.40 -0.90 0.14 5.45 6.94 -1.20 -1.03 115.26 124.25 2a7a n ASN 216 Ca -0.01 0.78 0.09 0.00 -0.02 0.00 0.00 54.58 55.43 2a7a n ASN 216 Cb 0.63 -1.17 0.59 0.00 -2.36 0.00 0.00 39.78 37.47 2a7a n ASN 216 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 2a7a h ILE 217 N 0.42 0.98 -0.34 1.53 3.07 -1.85 -1.67 117.51 119.65 2a7a h ILE 217 Ca -0.45 -0.05 -0.00 0.00 1.55 0.00 0.00 64.86 65.91 2a7a h ILE 217 Cb 1.40 0.81 -0.00 0.00 -0.27 0.00 0.00 36.82 38.75 2a7a h ILE 217 CO 0.48 0.03 0.00 -0.90 -1.05 0.00 0.00 178.15 176.72 2a7a n ASP 218 N -4.50 3.79 -4.76 2.16 5.75 -1.26 -4.73 116.55 113.01 2a7a n ASP 218 Ca 0.01 -2.55 -0.41 0.00 -0.01 0.00 0.00 54.79 51.83 2a7a n ASP 218 Cb 0.18 -0.61 0.01 0.00 -1.03 0.00 0.00 41.12 39.66 2a7a n ASP 218 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2a7a n SER 219 N 0.36 3.42 -4.12 -1.12 2.88 -0.63 -5.01 113.62 109.40 2a7a n SER 219 Ca 0.17 1.17 -0.08 0.00 -1.33 0.00 0.00 58.87 58.80 2a7a n SER 219 Cb 0.81 -1.59 -0.10 0.00 -0.75 0.00 0.00 64.21 62.58 2a7a n SER 219 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2a7a s SER 220 N -0.31 0.65 0.01 -3.46 1.04 -1.26 -5.09 113.70 105.27 2a7a s SER 220 Ca 0.57 -1.03 -0.30 0.00 0.48 0.00 0.00 55.95 55.67 2a7a s SER 220 Cb -0.48 0.18 -0.07 0.00 0.10 0.00 0.00 66.02 65.75 2a7a s SER 220 CO 0.61 -0.58 1.76 -0.63 0.98 0.00 0.00 173.24 175.38 2a7a s ILE 221 N -3.86 3.26 0.40 -1.02 1.01 -1.26 -4.94 121.20 114.78 2a7a s ILE 221 Ca 0.11 0.42 -0.26 0.00 0.00 0.00 0.00 60.65 60.91 2a7a s ILE 221 Cb 0.07 -3.27 -0.09 0.00 0.01 0.00 0.00 42.46 39.18 2a7a s ILE 221 CO -0.07 -0.03 1.29 -2.84 0.00 0.00 0.00 174.94 173.29 2a7a s PRO 222 N 3.87 4.02 0.17 2.79 0.02 -1.26 -4.93 135.00 139.67 2a7a s PRO 222 Ca 0.79 2.14 -0.34 0.00 0.02 0.00 0.00 61.00 63.61 2a7a s PRO 222 Cb -0.38 -2.79 -0.15 0.00 0.02 0.00 0.00 34.50 31.20 2a7a s PRO 222 CO 0.34 -0.44 1.38 0.45 -0.33 0.00 0.00 177.00 178.40 2a7a n SER 223 N 0.21 2.25 -0.71 2.53 2.88 -1.26 -2.42 113.62 117.10 2a7a n SER 223 Ca 0.03 1.12 -0.07 0.00 -1.33 0.00 0.00 58.87 58.62 2a7a n SER 223 Cb 0.44 -1.32 -0.02 0.00 -0.75 0.00 0.00 64.21 62.56 2a7a n SER 223 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2a7a n GLY 224 N 2.54 0.45 1.58 0.46 0.00 -1.26 -4.70 105.19 104.25 2a7a n GLY 224 Ca 0.15 -0.64 0.09 0.00 0.00 0.00 0.00 46.02 45.62 2a7a n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2a7a n SER 225 N 0.70 4.80 -4.45 1.61 3.41 -1.02 -4.90 113.62 113.78 2a7a n SER 225 Ca -0.08 -2.49 -0.28 0.00 -0.26 0.00 0.00 58.87 55.75 2a7a n SER 225 Cb 0.42 -0.58 0.24 0.00 -0.26 0.00 0.00 64.21 64.03 2a7a n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2a7a s THR 226 N -1.93 1.94 0.00 6.66 -4.23 -1.26 -0.46 115.64 116.36 2a7a s THR 226 Ca 0.51 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 2a7a s THR 226 Cb 0.33 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 72.00 2a7a s THR 226 CO 0.23 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 2a7a n GLY 227 N 0.34 2.19 0.20 3.99 0.00 -0.36 -3.28 105.19 108.27 2a7a n GLY 227 Ca 0.04 -0.36 0.14 0.00 0.00 0.00 0.00 46.02 45.84 2a7a n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2a7a h ARG 228 N 0.00 0.00 -0.02 1.61 0.11 -1.89 -2.06 114.38 112.12 2a7a h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2a7a h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2a7a h ARG 228 CO 0.00 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.35 2a7a n LEU 229 N -2.64 1.49 -1.00 0.08 4.77 -1.21 -4.93 117.00 113.56 2a7a n LEU 229 Ca 0.01 -0.50 -0.13 0.00 -0.03 0.00 0.00 56.01 55.36 2a7a n LEU 229 Cb 0.27 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 2a7a n LEU 229 CO 0.23 0.25 -0.12 0.18 -1.33 0.00 0.00 177.39 176.60 2a7a n LEU 230 N 0.17 -0.79 -0.56 2.23 4.77 -0.78 -1.05 117.00 120.99 2a7a n LEU 230 Ca 0.19 0.32 -0.07 0.00 -0.03 0.00 0.00 56.01 56.42 2a7a n LEU 230 Cb 0.35 -2.32 -0.03 0.00 -2.33 0.00 0.00 43.42 39.09 2a7a n LEU 230 CO 0.16 -0.85 -0.07 0.61 -1.33 0.00 0.00 177.39 175.91 2a7a n GLY 231 N -0.70 0.88 0.06 -0.72 0.00 0.39 -3.92 105.19 101.17 2a7a n GLY 231 Ca -0.13 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 2a7a n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2a7a n LEU 232 N -0.83 1.30 -4.15 0.99 4.77 -0.22 -4.36 117.00 114.51 2a7a n LEU 232 Ca -0.07 -0.03 -0.18 0.00 -0.03 0.00 0.00 56.01 55.69 2a7a n LEU 232 Cb 0.35 -0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.26 2a7a n LEU 232 CO 0.11 0.46 -0.45 -0.36 -1.33 0.00 0.00 177.39 175.82 2a7a s PHE 233 N -2.26 1.16 -0.48 -1.77 0.08 -1.15 -4.78 117.98 108.78 2a7a s PHE 233 Ca -0.11 -0.41 0.24 0.00 0.12 0.00 0.00 56.93 56.77 2a7a s PHE 233 Cb 0.04 -0.67 0.54 0.00 -0.57 0.00 0.00 43.02 42.36 2a7a s PHE 233 CO 0.37 0.04 1.68 -1.00 -0.10 0.00 0.00 175.22 176.20 2a7a h PRO 234 N 4.58 0.00 -3.30 0.24 0.13 -1.90 -3.40 132.00 128.36 2a7a h PRO 234 Ca -0.39 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.65 2a7a h PRO 234 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2a7a h PRO 234 CO 0.42 0.00 0.16 0.16 -0.23 0.00 0.00 178.00 178.50 2a7a s ASP 235 N -5.71 0.27 -0.27 1.44 1.47 -1.26 -4.83 116.67 107.78 2a7a s ASP 235 Ca 0.07 -1.26 0.12 0.00 1.18 0.00 0.00 52.55 52.66 2a7a s ASP 235 Cb 0.07 0.81 0.74 0.00 -0.34 0.00 0.00 42.92 44.20 2a7a s ASP 235 CO 0.64 -1.61 1.72 0.00 0.68 0.00 0.00 175.17 176.60 2a7a n ALA 236 N -0.55 4.09 0.40 2.11 0.00 -1.26 -4.66 120.51 120.63 2a7a n ALA 236 Ca -0.06 -2.22 0.03 0.00 0.00 0.00 0.00 53.44 51.19 2a7a n ALA 236 Cb 0.60 -1.10 0.19 0.00 0.00 0.00 0.00 19.45 19.14 2a7a n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59