#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c57 s ASP 2 N 0.00 4.97 -0.24 0.00 1.01 -1.26 -5.01 116.67 116.14 1c57 s ASP 2 Ca 0.00 2.34 -0.06 0.00 0.71 0.00 0.00 52.55 55.54 1c57 s ASP 2 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 1c57 s ASP 2 CO 0.00 -1.74 0.03 -0.89 0.21 0.00 0.00 175.17 172.79 1c57 s THR 3 N -1.76 3.96 -0.07 -1.27 2.01 -1.26 -5.03 115.64 112.22 1c57 s THR 3 Ca 0.76 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 62.48 1c57 s THR 3 Cb -0.29 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1c57 s THR 3 CO 0.36 0.35 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.83 1c57 s ILE 4 N 1.56 1.59 -0.11 1.82 -1.09 -1.26 -3.29 121.20 120.42 1c57 s ILE 4 Ca 0.06 -0.78 0.02 0.00 -2.23 0.00 0.00 60.65 57.72 1c57 s ILE 4 Cb -0.15 -1.39 0.01 0.00 -1.58 0.00 0.00 42.46 39.36 1c57 s ILE 4 CO 0.01 0.46 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.31 1c57 s VAL 5 N 0.25 1.66 0.06 2.92 1.01 -0.79 -0.53 120.40 124.98 1c57 s VAL 5 Ca -0.10 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1c57 s VAL 5 Cb -0.15 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1c57 s VAL 5 CO 0.05 0.47 0.24 0.00 0.00 0.00 0.00 175.10 175.86 1c57 s ALA 6 N 0.81 -0.46 -0.27 5.51 0.00 0.14 -0.74 121.76 126.76 1c57 s ALA 6 Ca -0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.55 1c57 s ALA 6 Cb -0.16 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.36 1c57 s ALA 6 CO 0.01 -0.44 -0.00 0.08 0.00 0.00 0.00 175.76 175.41 1c57 s VAL 7 N -3.00 3.34 -0.12 0.00 1.01 -0.23 -0.14 120.40 121.25 1c57 s VAL 7 Ca -0.02 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1c57 s VAL 7 Cb 0.01 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1c57 s VAL 7 CO -0.06 0.16 0.15 -1.83 0.00 0.00 0.00 175.10 173.51 1c57 s GLU 8 N 1.40 3.45 -0.71 2.72 -1.05 0.01 -1.53 118.70 122.99 1c57 s GLU 8 Ca 0.01 -0.12 -0.06 0.00 -0.15 0.00 0.00 54.97 54.65 1c57 s GLU 8 Cb -0.17 -3.19 0.18 0.00 -0.44 0.00 0.00 34.13 30.52 1c57 s GLU 8 CO -0.02 0.78 0.57 -0.51 0.95 0.00 0.00 175.26 177.03 1c57 s LEU 9 N -1.03 5.73 -0.44 1.83 1.02 1.00 -1.35 118.68 125.45 1c57 s LEU 9 Ca 0.15 -2.87 -0.22 0.00 0.02 0.00 0.00 54.13 51.21 1c57 s LEU 9 Cb -0.12 -1.97 0.02 0.00 0.02 0.00 0.00 46.19 44.14 1c57 s LEU 9 CO 0.04 -0.42 0.72 -0.62 0.02 0.00 0.00 176.35 176.10 1c57 s ASP 10 N 1.08 6.38 0.21 2.29 -1.08 -0.20 -1.70 116.67 123.65 1c57 s ASP 10 Ca 0.18 -0.17 0.23 0.00 -0.52 0.00 0.00 52.55 52.27 1c57 s ASP 10 Cb -0.16 -2.36 0.22 0.00 -1.46 0.00 0.00 42.92 39.16 1c57 s ASP 10 CO -0.05 -0.84 1.27 0.71 0.52 0.00 0.00 175.17 176.77 1c57 h THR 11 N 5.92 0.00 -3.10 1.71 1.35 -1.73 -1.45 112.91 115.61 1c57 h THR 11 Ca -0.25 -0.79 -0.67 0.00 -0.55 0.00 0.00 66.41 64.15 1c57 h THR 11 Cb 1.09 1.42 -0.35 0.00 -1.73 0.00 0.00 68.15 68.58 1c57 h THR 11 CO 0.93 0.00 -0.86 -0.47 -0.25 0.00 0.00 175.52 174.87 1c57 s TYR 12 N -3.26 2.76 -0.49 4.73 6.14 -1.24 -4.57 117.35 121.41 1c57 s TYR 12 Ca 0.04 -1.57 -0.29 0.00 0.64 0.00 0.00 57.07 55.90 1c57 s TYR 12 Cb 0.10 -1.90 0.02 0.00 0.42 0.00 0.00 41.96 40.61 1c57 s TYR 12 CO 0.74 -0.76 1.30 -1.25 0.64 0.00 0.00 175.55 176.22 1c57 s PRO 13 N 1.17 3.55 -1.05 4.97 0.04 -1.26 -4.93 135.00 137.49 1c57 s PRO 13 Ca 0.02 0.62 -0.10 0.00 0.04 0.00 0.00 61.00 61.59 1c57 s PRO 13 Cb -0.14 -4.01 0.27 0.00 0.04 0.00 0.00 34.50 30.66 1c57 s PRO 13 CO -0.10 -1.61 1.04 -0.80 0.04 0.00 0.00 177.00 175.57 1c57 s ASN 14 N 3.47 7.18 0.65 6.66 -0.87 -1.26 -4.88 114.94 125.89 1c57 s ASN 14 Ca 0.53 -3.44 0.43 0.00 -1.57 0.00 0.00 52.86 48.80 1c57 s ASN 14 Cb -0.10 -2.20 2.26 0.00 -0.02 0.00 0.00 41.25 41.19 1c57 s ASN 14 CO 0.30 -0.33 2.32 0.71 -2.57 0.00 0.00 177.10 177.52 1c57 h THR 15 N 3.88 0.03 0.00 1.60 1.35 -1.84 -1.70 112.91 116.23 1c57 h THR 15 Ca 0.16 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1c57 h THR 15 Cb 0.90 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1c57 h THR 15 CO 0.96 0.00 0.00 -2.24 -0.25 0.00 0.00 175.52 173.99 1c57 h ASP 16 N 0.00 0.00 -0.18 5.36 2.03 -1.89 -3.00 116.42 118.74 1c57 h ASP 16 Ca -0.00 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 1c57 h ASP 16 Cb 0.07 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.55 1c57 h ASP 16 CO 0.00 0.00 -0.07 2.30 -1.03 0.00 0.00 179.24 180.44 1c57 n ILE 17 N -3.01 2.23 -0.10 4.15 -5.35 -0.66 -4.98 119.36 111.64 1c57 n ILE 17 Ca 0.01 -2.36 0.00 0.00 -0.27 0.00 0.00 62.75 60.13 1c57 n ILE 17 Cb 0.32 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 1c57 n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1c57 n GLY 18 N -1.00 0.56 3.76 3.28 0.00 -1.13 -4.71 105.19 105.96 1c57 n GLY 18 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1c57 n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c57 s ASP 19 N -2.70 5.63 1.00 1.61 1.01 -1.06 -4.95 116.67 117.20 1c57 s ASP 19 Ca 0.00 2.32 -0.14 0.00 0.71 0.00 0.00 52.55 55.45 1c57 s ASP 19 Cb 0.00 -2.60 0.19 0.00 1.01 0.00 0.00 42.92 41.52 1c57 s ASP 19 CO 0.00 -1.29 1.13 -2.84 0.21 0.00 0.00 175.17 172.38 1c57 s PRO 20 N -3.12 0.45 -0.14 8.23 0.02 -1.26 -4.16 135.00 135.01 1c57 s PRO 20 Ca 0.72 0.27 0.00 0.00 0.02 0.00 0.00 61.00 62.02 1c57 s PRO 20 Cb -0.28 -1.76 0.16 0.00 0.02 0.00 0.00 34.50 32.63 1c57 s PRO 20 CO 0.32 -2.66 1.51 -1.13 -0.33 0.00 0.00 177.00 174.71 1c57 n SER 21 N -4.09 4.17 -3.62 2.53 3.41 -1.26 -4.62 113.62 110.15 1c57 n SER 21 Ca 0.07 -2.55 -0.10 0.00 -0.26 0.00 0.00 58.87 56.03 1c57 n SER 21 Cb 0.59 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 1c57 n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1c57 s TYR 22 N -0.92 -0.28 0.57 7.33 -0.85 -1.26 -4.96 117.35 116.98 1c57 s TYR 22 Ca 0.16 -0.02 -0.20 0.00 -0.52 0.00 0.00 57.07 56.49 1c57 s TYR 22 Cb 0.13 0.44 -0.05 0.00 0.38 0.00 0.00 41.96 42.87 1c57 s TYR 22 CO 0.02 -0.87 1.16 -2.30 -1.52 0.00 0.00 175.55 172.04 1c57 n PRO 23 N -0.34 1.25 -3.71 -3.49 -0.02 -1.26 -4.64 135.00 122.79 1c57 n PRO 23 Ca -0.13 0.47 -0.09 0.00 -2.02 0.00 0.00 63.50 61.72 1c57 n PRO 23 Cb 0.63 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1c57 n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1c57 s HIS 24 N -1.39 -0.20 0.04 6.00 -3.43 -0.55 -1.81 115.29 113.95 1c57 s HIS 24 Ca 0.74 -0.14 0.04 0.00 -0.80 0.00 0.00 55.06 54.91 1c57 s HIS 24 Cb -0.42 0.49 -0.04 0.00 -1.43 0.00 0.00 32.58 31.18 1c57 s HIS 24 CO 0.47 -0.97 -0.07 0.96 -2.00 0.00 0.00 174.74 173.13 1c57 s ILE 25 N -3.86 3.61 0.15 -5.38 -4.36 -0.53 -1.03 121.20 109.79 1c57 s ILE 25 Ca 0.08 -0.92 -0.12 0.00 -0.26 0.00 0.00 60.65 59.43 1c57 s ILE 25 Cb -0.02 -2.61 0.01 0.00 1.25 0.00 0.00 42.46 41.09 1c57 s ILE 25 CO -0.02 0.30 0.35 -0.83 0.24 0.00 0.00 174.94 174.97 1c57 s GLY 26 N -1.70 0.14 -0.23 6.27 0.00 -0.45 -1.33 107.32 110.02 1c57 s GLY 26 Ca 0.19 -0.53 -0.04 0.00 0.00 0.00 0.00 44.72 44.33 1c57 s GLY 26 CO 0.10 -0.60 -0.03 -0.42 0.00 0.00 0.00 173.10 172.16 1c57 s ILE 27 N -3.90 3.49 -0.22 0.90 1.01 -0.56 -0.81 121.20 121.12 1c57 s ILE 27 Ca 0.11 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.23 1c57 s ILE 27 Cb 0.02 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 1c57 s ILE 27 CO -0.05 0.40 0.00 -1.81 0.00 0.00 0.00 174.94 173.48 1c57 s ASP 28 N 1.49 4.73 -0.44 3.58 1.01 0.80 -0.89 116.67 126.95 1c57 s ASP 28 Ca 0.06 -0.26 0.01 0.00 0.71 0.00 0.00 52.55 53.06 1c57 s ASP 28 Cb -0.14 -1.82 0.12 0.00 1.01 0.00 0.00 42.92 42.09 1c57 s ASP 28 CO -0.02 0.02 0.20 -0.63 0.21 0.00 0.00 175.17 174.95 1c57 s ILE 29 N 1.27 2.91 -0.71 0.77 -1.09 -1.26 -0.68 121.20 122.41 1c57 s ILE 29 Ca 0.04 -2.51 0.00 0.00 -2.23 0.00 0.00 60.65 55.95 1c57 s ILE 29 Cb -0.15 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1c57 s ILE 29 CO 0.01 -0.71 0.00 0.29 -1.23 0.00 0.00 174.94 173.30 1c57 n LYS 30 N 4.06 -1.43 -3.59 2.79 5.02 0.31 -4.94 118.16 120.38 1c57 n LYS 30 Ca 0.03 0.67 -0.16 0.00 -2.02 0.00 0.00 58.31 56.83 1c57 n LYS 30 Cb 0.39 -4.88 -0.07 0.00 -0.02 0.00 0.00 35.03 30.45 1c57 n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1c57 s SER 31 N -2.32 -0.65 0.37 4.39 0.15 -1.26 -4.94 113.70 109.44 1c57 s SER 31 Ca 0.00 0.96 0.28 0.00 0.70 0.00 0.00 55.95 57.89 1c57 s SER 31 Cb 0.00 0.90 1.12 0.00 -1.71 0.00 0.00 66.02 66.32 1c57 s SER 31 CO 0.00 -0.44 1.82 1.62 1.20 0.00 0.00 173.24 177.44 1c57 h VAL 32 N 3.52 0.00 -1.65 4.45 3.04 -1.90 -3.39 116.25 120.33 1c57 h VAL 32 Ca -0.28 -0.35 -0.61 0.00 -1.01 0.00 0.00 66.70 64.44 1c57 h VAL 32 Cb 1.15 1.20 -0.12 0.00 -2.01 0.00 0.00 31.29 31.51 1c57 h VAL 32 CO 0.25 0.00 1.24 -0.13 -1.01 0.00 0.00 177.57 177.92 1c57 s ARG 33 N -3.44 3.51 0.20 4.17 0.52 -1.26 -4.97 118.95 117.68 1c57 s ARG 33 Ca 0.03 -1.13 -0.30 0.00 -0.52 0.00 0.00 55.73 53.81 1c57 s ARG 33 Cb 0.09 -5.04 -0.16 0.00 0.52 0.00 0.00 34.95 30.36 1c57 s ARG 33 CO 0.46 -2.08 0.84 0.43 0.02 0.00 0.00 175.30 174.97 1c57 n SER 34 N 8.37 0.13 0.19 0.23 7.64 -1.26 -4.84 113.62 124.09 1c57 n SER 34 Ca 0.25 1.15 0.08 0.00 1.01 0.00 0.00 58.87 61.36 1c57 n SER 34 Cb 0.50 -1.10 0.28 0.00 -1.01 0.00 0.00 64.21 62.88 1c57 n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1c57 h LYS 35 N 1.95 0.00 -2.19 1.43 1.79 -1.36 -3.45 116.57 114.74 1c57 h LYS 35 Ca -0.37 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.04 1c57 h LYS 35 Cb 1.39 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.83 1c57 h LYS 35 CO 0.61 0.29 0.05 0.21 -1.08 0.00 0.00 179.45 179.54 1c57 s LYS 36 N -3.37 0.81 0.14 3.15 2.47 -1.25 -5.01 119.74 116.69 1c57 s LYS 36 Ca 0.02 0.69 -0.01 0.00 -1.56 0.00 0.00 55.97 55.11 1c57 s LYS 36 Cb 0.09 0.39 -0.04 0.00 -1.46 0.00 0.00 37.83 36.81 1c57 s LYS 36 CO 0.68 -0.15 0.06 0.95 0.16 0.00 0.00 175.35 177.05 1c57 s THR 37 N -0.10 0.15 -0.06 3.43 -4.23 -1.26 -1.49 115.64 112.08 1c57 s THR 37 Ca -0.03 -1.93 -0.09 0.00 -1.18 0.00 0.00 61.69 58.46 1c57 s THR 37 Cb -0.04 -2.12 0.02 0.00 1.34 0.00 0.00 72.50 71.71 1c57 s THR 37 CO 0.03 -0.40 0.22 0.00 -0.54 0.00 0.00 174.62 173.93 1c57 s ALA 38 N -4.02 -0.54 0.32 3.99 0.00 -0.44 -4.98 121.76 116.09 1c57 s ALA 38 Ca 0.26 0.42 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 1c57 s ALA 38 Cb 0.07 -0.20 -0.11 0.00 0.00 0.00 0.00 23.12 22.88 1c57 s ALA 38 CO 0.03 -0.15 1.54 0.21 0.00 0.00 0.00 175.76 177.39 1c57 s LYS 39 N -0.42 4.14 -0.15 0.00 2.20 -1.26 -1.45 119.74 122.80 1c57 s LYS 39 Ca -0.05 2.54 0.00 0.00 -0.36 0.00 0.00 55.97 58.10 1c57 s LYS 39 Cb -0.03 -3.01 0.03 0.00 -1.51 0.00 0.00 37.83 33.30 1c57 s LYS 39 CO 0.01 -0.57 -0.11 -0.46 -0.36 0.00 0.00 175.35 173.87 1c57 s TRP 40 N -0.40 1.97 -1.30 4.03 -0.00 -0.75 -4.79 118.94 117.70 1c57 s TRP 40 Ca 0.59 -1.13 -0.14 0.00 -0.00 0.00 0.00 56.10 55.41 1c57 s TRP 40 Cb -0.47 -1.47 0.11 0.00 -0.00 0.00 0.00 33.47 31.64 1c57 s TRP 40 CO 0.53 -0.63 1.77 0.09 -0.00 0.00 0.00 176.95 178.70 1c57 n ASN 41 N 4.82 4.85 -4.78 5.86 3.02 -1.26 -4.42 115.26 123.35 1c57 n ASN 41 Ca -0.15 -2.96 -0.41 0.00 -0.03 0.00 0.00 54.58 51.04 1c57 n ASN 41 Cb 0.49 -1.63 -0.00 0.00 -0.61 0.00 0.00 39.78 38.03 1c57 n ASN 41 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1c57 s MET 42 N 2.53 4.07 -0.31 3.52 -2.45 -1.26 -5.00 119.30 120.40 1c57 s MET 42 Ca 0.47 2.50 0.01 0.00 -1.25 0.00 0.00 55.69 57.41 1c57 s MET 42 Cb 0.05 -2.93 0.07 0.00 1.25 0.00 0.00 34.83 33.27 1c57 s MET 42 CO 0.01 -0.53 0.00 -0.65 1.05 0.00 0.00 175.02 174.90 1c57 s GLN 43 N -2.12 2.10 0.04 4.11 -0.21 -1.26 -5.08 119.66 117.25 1c57 s GLN 43 Ca 0.54 -1.50 -0.32 0.00 0.02 0.00 0.00 55.36 54.09 1c57 s GLN 43 Cb -0.45 -3.14 -0.11 0.00 1.00 0.00 0.00 33.01 30.30 1c57 s GLN 43 CO 0.61 -0.73 1.84 -1.71 -2.12 0.00 0.00 175.29 173.18 1c57 n ASN 44 N 4.47 3.73 0.00 5.90 2.85 -1.26 -2.26 115.26 128.69 1c57 n ASN 44 Ca -0.08 0.98 0.00 0.00 -0.11 0.00 0.00 54.58 55.37 1c57 n ASN 44 Cb 0.42 -1.47 0.00 0.00 1.24 0.00 0.00 39.78 39.98 1c57 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1c57 n GLY 45 N 4.23 1.16 3.87 8.20 0.00 0.23 -4.99 105.19 117.90 1c57 n GLY 45 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1c57 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c57 s LYS 46 N -0.27 3.26 -0.16 1.61 3.01 -0.96 -4.95 119.74 121.29 1c57 s LYS 46 Ca 0.00 -0.51 -0.27 0.00 -1.01 0.00 0.00 55.97 54.18 1c57 s LYS 46 Cb 0.00 -2.94 -0.01 0.00 -1.01 0.00 0.00 37.83 33.86 1c57 s LYS 46 CO 0.00 0.60 0.90 0.08 0.51 0.00 0.00 175.35 177.44 1c57 s VAL 47 N -1.46 4.84 0.45 3.17 1.01 -1.26 -4.26 120.40 122.89 1c57 s VAL 47 Ca 0.33 1.78 0.06 0.00 0.00 0.00 0.00 61.98 64.15 1c57 s VAL 47 Cb -0.13 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1c57 s VAL 47 CO 0.25 0.01 0.24 -0.83 0.00 0.00 0.00 175.10 174.77 1c57 s GLY 48 N 1.14 2.38 -0.02 4.51 0.00 -0.28 -4.47 107.32 110.57 1c57 s GLY 48 Ca 0.41 -1.76 0.01 0.00 0.00 0.00 0.00 44.72 43.39 1c57 s GLY 48 CO 0.13 -1.92 -0.04 -1.59 0.00 0.00 0.00 173.10 169.69 1c57 s THR 49 N -2.64 0.42 -0.05 0.90 2.01 -0.08 -1.54 115.64 114.65 1c57 s THR 49 Ca 0.38 -0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.29 1c57 s THR 49 Cb 0.02 -0.41 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 1c57 s THR 49 CO 0.21 0.16 -0.20 0.00 -0.69 0.00 0.00 174.62 174.10 1c57 s ALA 50 N 0.43 2.39 -0.08 7.40 0.00 -0.37 -1.31 121.76 130.21 1c57 s ALA 50 Ca -0.05 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.91 1c57 s ALA 50 Cb -0.08 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.25 1c57 s ALA 50 CO -0.00 0.49 -0.19 -1.01 0.00 0.00 0.00 175.76 175.05 1c57 s HIS 51 N -0.46 2.05 -0.05 0.00 3.76 0.24 -1.80 115.29 119.03 1c57 s HIS 51 Ca 0.05 -0.79 0.04 0.00 -0.15 0.00 0.00 55.06 54.21 1c57 s HIS 51 Cb -0.12 -1.41 -0.00 0.00 1.11 0.00 0.00 32.58 32.17 1c57 s HIS 51 CO 0.01 -0.34 -0.17 0.42 -0.85 0.00 0.00 174.74 173.81 1c57 s ILE 52 N 0.45 1.47 0.03 0.60 1.09 0.27 -0.76 121.20 124.35 1c57 s ILE 52 Ca -0.16 -0.73 0.00 0.00 -1.10 0.00 0.00 60.65 58.66 1c57 s ILE 52 Cb -0.17 -1.27 -0.02 0.00 -1.06 0.00 0.00 42.46 39.94 1c57 s ILE 52 CO 0.06 0.42 -0.04 0.27 -0.10 0.00 0.00 174.94 175.56 1c57 s ILE 53 N 0.10 0.20 -0.14 2.92 -4.36 -0.27 -0.52 121.20 119.13 1c57 s ILE 53 Ca -0.06 -1.02 -0.29 0.00 -0.26 0.00 0.00 60.65 59.02 1c57 s ILE 53 Cb -0.12 -0.43 0.09 0.00 1.25 0.00 0.00 42.46 43.24 1c57 s ILE 53 CO 0.03 -0.52 0.80 -0.47 0.24 0.00 0.00 174.94 175.02 1c57 s TYR 54 N -1.65 -0.59 -0.01 1.37 5.04 -0.88 -1.74 117.35 118.89 1c57 s TYR 54 Ca -0.13 1.14 -0.10 0.00 -2.44 0.00 0.00 57.07 55.55 1c57 s TYR 54 Cb -0.08 0.39 0.01 0.00 0.35 0.00 0.00 41.96 42.63 1c57 s TYR 54 CO -0.01 -0.47 0.20 0.54 -1.34 0.00 0.00 175.55 174.47 1c57 s ASN 55 N -0.77 -0.06 0.17 4.32 2.20 -1.26 -1.67 114.94 117.87 1c57 s ASN 55 Ca -0.05 -0.07 0.20 0.00 -0.94 0.00 0.00 52.86 52.00 1c57 s ASN 55 Cb -0.01 0.26 0.86 0.00 -2.00 0.00 0.00 41.25 40.35 1c57 s ASN 55 CO 0.05 -0.37 1.63 -1.54 -2.94 0.00 0.00 177.10 173.92 1c57 n SER 56 N 1.52 0.45 -0.07 3.54 3.41 0.88 -1.12 113.62 122.23 1c57 n SER 56 Ca -0.22 0.61 -0.14 0.00 -0.26 0.00 0.00 58.87 58.87 1c57 n SER 56 Cb 0.56 -0.70 -0.11 0.00 -0.26 0.00 0.00 64.21 63.69 1c57 n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1c57 h VAL 57 N 0.00 1.48 0.00 -3.33 2.07 -1.89 -3.37 116.25 111.21 1c57 h VAL 57 Ca 0.00 -2.18 -0.16 0.00 0.82 0.00 0.00 66.70 65.18 1c57 h VAL 57 Cb 0.32 2.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1c57 h VAL 57 CO 0.00 0.50 -0.83 0.44 0.02 0.00 0.00 177.57 177.70 1c57 h ASP 58 N -1.00 0.00 -5.97 0.57 3.32 -1.97 -3.48 116.42 107.89 1c57 h ASP 58 Ca -0.05 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.61 1c57 h ASP 58 Cb 0.94 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.58 1c57 h ASP 58 CO -0.03 0.76 -0.83 0.29 -1.72 0.00 0.00 179.24 177.71 1c57 n LYS 59 N -3.26 -4.92 -3.84 3.56 5.02 -0.27 -4.92 118.16 109.54 1c57 n LYS 59 Ca -0.00 0.67 -0.22 0.00 -2.02 0.00 0.00 58.31 56.74 1c57 n LYS 59 Cb 0.85 -5.30 -0.17 0.00 -0.02 0.00 0.00 35.03 30.39 1c57 n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1c57 s ARG 60 N -5.77 0.63 -0.28 1.97 3.52 -1.26 -1.42 118.95 116.35 1c57 s ARG 60 Ca 0.05 0.07 -0.17 0.00 -0.13 0.00 0.00 55.73 55.55 1c57 s ARG 60 Cb -0.01 -0.93 -0.03 0.00 -1.56 0.00 0.00 34.95 32.43 1c57 s ARG 60 CO 0.79 -0.26 0.47 -1.17 -0.81 0.00 0.00 175.30 174.32 1c57 s LEU 61 N 1.75 4.11 0.10 -0.88 2.96 -0.26 -4.27 118.68 122.20 1c57 s LEU 61 Ca 0.02 0.34 0.08 0.00 -0.22 0.00 0.00 54.13 54.34 1c57 s LEU 61 Cb -0.13 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.96 1c57 s LEU 61 CO -0.04 -0.29 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.05 1c57 s SER 62 N 1.62 2.48 -0.00 3.68 0.01 -0.71 -1.11 113.70 119.66 1c57 s SER 62 Ca 0.19 -0.69 -0.03 0.00 1.31 0.00 0.00 55.95 56.72 1c57 s SER 62 Cb -0.16 -0.13 -0.00 0.00 0.21 0.00 0.00 66.02 65.94 1c57 s SER 62 CO 0.10 0.04 0.06 0.00 0.41 0.00 0.00 173.24 173.85 1c57 s ALA 63 N -1.23 -0.13 -0.05 1.44 0.00 -0.12 -1.12 121.76 120.56 1c57 s ALA 63 Ca 0.06 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 51.90 1c57 s ALA 63 Cb -0.10 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1c57 s ALA 63 CO 0.04 -0.12 -0.07 0.08 0.00 0.00 0.00 175.76 175.68 1c57 s VAL 64 N -0.84 0.74 -0.03 0.00 1.01 0.06 -1.69 120.40 119.66 1c57 s VAL 64 Ca -0.09 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.69 1c57 s VAL 64 Cb -0.06 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 1c57 s VAL 64 CO 0.00 0.26 -0.21 -0.69 0.00 0.00 0.00 175.10 174.46 1c57 s VAL 65 N 0.71 1.69 0.18 2.92 1.01 -0.05 -0.59 120.40 126.27 1c57 s VAL 65 Ca -0.11 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.84 1c57 s VAL 65 Cb -0.14 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.83 1c57 s VAL 65 CO 0.01 0.48 0.40 -0.94 0.00 0.00 0.00 175.10 175.05 1c57 s SER 66 N -0.31 -0.11 0.11 3.32 1.04 -0.42 -1.29 113.70 116.03 1c57 s SER 66 Ca 0.03 -0.67 0.05 0.00 0.48 0.00 0.00 55.95 55.85 1c57 s SER 66 Cb -0.10 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1c57 s SER 66 CO 0.01 -0.97 -0.13 -0.31 0.98 0.00 0.00 173.24 172.81 1c57 s TYR 67 N -3.92 1.31 0.53 5.02 2.02 -1.26 -0.91 117.35 120.15 1c57 s TYR 67 Ca 0.13 -0.56 -0.22 0.00 -0.37 0.00 0.00 57.07 56.05 1c57 s TYR 67 Cb 0.01 -0.70 -0.05 0.00 -0.40 0.00 0.00 41.96 40.82 1c57 s TYR 67 CO -0.02 0.11 1.37 -2.30 -1.57 0.00 0.00 175.55 173.14 1c57 n PRO 68 N 0.64 1.78 -1.11 -1.71 -0.02 -1.26 -2.42 135.00 130.90 1c57 n PRO 68 Ca -0.16 0.65 -0.04 0.00 -2.02 0.00 0.00 63.50 61.93 1c57 n PRO 68 Cb 0.57 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 1c57 n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1c57 n ASN 69 N -0.89 -5.06 -4.25 2.55 3.02 -1.26 -4.97 115.26 104.39 1c57 n ASN 69 Ca 0.10 0.10 -0.15 0.00 -0.03 0.00 0.00 54.58 54.59 1c57 n ASN 69 Cb 0.44 -2.90 -0.10 0.00 -0.61 0.00 0.00 39.78 36.61 1c57 n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1c57 s ALA 70 N -1.61 1.49 0.55 5.41 0.00 -1.02 -5.13 121.76 121.45 1c57 s ALA 70 Ca 0.00 -1.45 -0.19 0.00 0.00 0.00 0.00 51.96 50.33 1c57 s ALA 70 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 23.12 23.07 1c57 s ALA 70 CO 0.00 -0.04 1.08 -0.51 0.00 0.00 0.00 175.76 176.29 1c57 s ASP 71 N -3.00 5.88 0.62 0.00 1.01 -1.26 -4.61 116.67 115.31 1c57 s ASP 71 Ca 0.15 2.01 -0.03 0.00 0.71 0.00 0.00 52.55 55.39 1c57 s ASP 71 Cb 0.00 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.42 1c57 s ASP 71 CO 0.02 -1.10 0.89 -0.44 0.21 0.00 0.00 175.17 174.74 1c57 s SER 72 N -2.11 5.06 -0.00 0.27 0.01 -1.26 -4.70 113.70 110.97 1c57 s SER 72 Ca 0.69 0.22 0.07 0.00 1.31 0.00 0.00 55.95 58.23 1c57 s SER 72 Cb -0.20 -1.00 -0.02 0.00 0.21 0.00 0.00 66.02 65.02 1c57 s SER 72 CO 0.28 -1.35 -0.21 0.00 0.41 0.00 0.00 173.24 172.36 1c57 s ALA 73 N -2.99 1.74 0.04 1.44 0.00 -0.41 -4.99 121.76 116.59 1c57 s ALA 73 Ca 0.59 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1c57 s ALA 73 Cb -0.11 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1c57 s ALA 73 CO 0.41 0.42 -0.07 0.99 0.00 0.00 0.00 175.76 177.52 1c57 s THR 74 N -0.55 0.48 -0.09 0.00 2.01 -1.26 -0.87 115.64 115.36 1c57 s THR 74 Ca 0.08 -1.10 -0.10 0.00 0.31 0.00 0.00 61.69 60.88 1c57 s THR 74 Cb -0.08 -0.61 0.03 0.00 0.01 0.00 0.00 72.50 71.84 1c57 s THR 74 CO -0.00 -0.43 0.27 0.54 -0.69 0.00 0.00 174.62 174.31 1c57 s VAL 75 N -1.52 0.01 0.04 3.82 0.11 -0.68 -4.75 120.40 117.42 1c57 s VAL 75 Ca -0.10 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 58.90 1c57 s VAL 75 Cb -0.09 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 1c57 s VAL 75 CO -0.00 -0.04 -0.06 -0.44 -3.33 0.00 0.00 175.10 171.23 1c57 s SER 76 N -0.04 0.68 -0.12 3.54 0.01 -1.26 -0.94 113.70 115.56 1c57 s SER 76 Ca -0.02 -0.57 -0.06 0.00 1.31 0.00 0.00 55.95 56.61 1c57 s SER 76 Cb -0.02 0.06 0.05 0.00 0.21 0.00 0.00 66.02 66.32 1c57 s SER 76 CO 0.01 -0.26 0.28 -0.47 0.41 0.00 0.00 173.24 173.21 1c57 s TYR 77 N -1.58 -0.38 -0.31 2.43 5.04 -0.27 -4.96 117.35 117.33 1c57 s TYR 77 Ca -0.10 0.88 -0.29 0.00 -2.44 0.00 0.00 57.07 55.11 1c57 s TYR 77 Cb -0.09 0.09 0.01 0.00 0.35 0.00 0.00 41.96 42.33 1c57 s TYR 77 CO -0.01 -0.25 1.11 -0.51 -1.34 0.00 0.00 175.55 174.56 1c57 s ASP 78 N 1.23 6.91 -0.21 4.32 1.01 -1.26 -1.10 116.67 127.56 1c57 s ASP 78 Ca -0.09 1.12 -0.18 0.00 0.71 0.00 0.00 52.55 54.11 1c57 s ASP 78 Cb -0.10 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.35 1c57 s ASP 78 CO -0.09 -0.89 0.55 0.54 0.21 0.00 0.00 175.17 175.49 1c57 s VAL 79 N 3.72 -0.00 -0.53 -1.27 0.11 -0.51 -4.98 120.40 116.94 1c57 s VAL 79 Ca 0.47 0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 59.35 1c57 s VAL 79 Cb -0.13 -0.77 0.07 0.00 -1.53 0.00 0.00 36.38 34.02 1c57 s VAL 79 CO 0.16 0.00 0.63 -0.62 -3.33 0.00 0.00 175.10 171.94 1c57 s ASP 80 N 0.55 6.20 0.63 3.54 -1.08 -1.26 -4.14 116.67 121.11 1c57 s ASP 80 Ca -0.02 -1.12 0.41 0.00 -0.52 0.00 0.00 52.55 51.29 1c57 s ASP 80 Cb -0.04 -2.28 2.10 0.00 -1.46 0.00 0.00 42.92 41.23 1c57 s ASP 80 CO -0.03 -0.94 2.26 -0.07 0.52 0.00 0.00 175.17 176.91 1c57 h LEU 81 N 9.69 0.00 -1.65 -1.34 3.38 -1.97 -1.68 115.31 121.74 1c57 h LEU 81 Ca -0.28 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1c57 h LEU 81 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1c57 h LEU 81 CO 1.00 0.01 -0.18 0.44 0.09 0.00 0.00 178.44 179.80 1c57 h ASP 82 N 0.00 0.00 0.10 -0.43 3.32 -1.91 0.35 116.42 117.85 1c57 h ASP 82 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1c57 h ASP 82 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1c57 h ASP 82 CO 0.00 0.18 -0.13 0.59 -1.72 0.00 0.00 179.24 178.16 1c57 n ASN 83 N -4.30 1.32 -0.03 6.45 3.02 -0.63 -4.42 115.26 116.67 1c57 n ASN 83 Ca -0.02 -1.22 -0.04 0.00 -0.03 0.00 0.00 54.58 53.26 1c57 n ASN 83 Cb 0.24 0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.46 1c57 n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1c57 n VAL 84 N -0.19 0.32 -4.15 2.41 0.31 -0.69 -5.08 118.33 111.26 1c57 n VAL 84 Ca 0.16 -0.12 -0.23 0.00 -0.01 0.00 0.00 64.34 64.14 1c57 n VAL 84 Cb 0.36 -0.87 -0.05 0.00 -0.91 0.00 0.00 33.84 32.36 1c57 n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1c57 s LEU 85 N -5.53 3.67 1.01 7.52 1.43 0.03 -4.97 118.68 121.84 1c57 s LEU 85 Ca -0.08 -0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 1c57 s LEU 85 Cb 0.02 -2.22 0.19 0.00 0.03 0.00 0.00 46.19 44.21 1c57 s LEU 85 CO 0.12 -0.00 1.11 -2.84 0.23 0.00 0.00 176.35 174.97 1c57 s PRO 86 N -3.61 0.36 0.27 1.29 0.02 -1.26 -4.72 135.00 127.35 1c57 s PRO 86 Ca 0.32 0.34 -0.00 0.00 0.02 0.00 0.00 61.00 61.68 1c57 s PRO 86 Cb -0.08 -1.74 0.39 0.00 0.02 0.00 0.00 34.50 33.08 1c57 s PRO 86 CO 0.23 -2.74 1.77 1.49 -0.33 0.00 0.00 177.00 177.42 1c57 h GLU 87 N -1.89 0.69 -5.78 5.54 4.81 -1.95 -3.42 114.58 112.58 1c57 h GLU 87 Ca -0.52 -0.20 -0.67 0.00 -0.13 0.00 0.00 59.36 57.84 1c57 h GLU 87 Cb 1.33 -0.08 -0.25 0.00 0.63 0.00 0.00 28.75 30.38 1c57 h GLU 87 CO 0.56 0.75 -0.77 -1.58 -0.73 0.00 0.00 179.01 177.23 1c57 s TRP 88 N -4.88 2.75 0.26 0.92 0.52 -1.26 -1.35 118.94 115.91 1c57 s TRP 88 Ca -0.09 -0.43 -0.01 0.00 0.02 0.00 0.00 56.10 55.60 1c57 s TRP 88 Cb 0.15 -1.74 -0.02 0.00 -1.15 0.00 0.00 33.47 30.70 1c57 s TRP 88 CO 0.80 -0.03 0.28 0.14 0.02 0.00 0.00 176.95 178.16 1c57 s VAL 89 N -0.15 0.00 0.14 4.03 -7.23 -0.45 -4.33 120.40 112.41 1c57 s VAL 89 Ca -0.01 -1.84 0.10 0.00 -1.81 0.00 0.00 61.98 58.43 1c57 s VAL 89 Cb -0.13 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1c57 s VAL 89 CO 0.03 0.00 -0.25 -0.13 -0.31 0.00 0.00 175.10 174.44 1c57 s ARG 90 N -3.77 1.37 0.09 4.82 0.52 -0.34 0.08 118.95 121.71 1c57 s ARG 90 Ca 0.35 -1.35 0.09 0.00 -0.52 0.00 0.00 55.73 54.30 1c57 s ARG 90 Cb 0.03 -1.77 -0.04 0.00 0.52 0.00 0.00 34.95 33.69 1c57 s ARG 90 CO 0.17 0.41 -0.20 0.14 0.02 0.00 0.00 175.30 175.84 1c57 s VAL 91 N -1.24 2.71 0.10 3.52 -7.23 -1.26 -1.54 120.40 115.46 1c57 s VAL 91 Ca 0.14 -1.44 -0.06 0.00 -1.81 0.00 0.00 61.98 58.80 1c57 s VAL 91 Cb -0.09 -2.20 0.02 0.00 0.56 0.00 0.00 36.38 34.67 1c57 s VAL 91 CO 0.06 0.18 0.32 0.61 -0.31 0.00 0.00 175.10 175.96 1c57 n GLY 92 N 1.07 1.32 3.17 2.32 0.00 -0.24 -1.77 105.19 111.06 1c57 n GLY 92 Ca -0.16 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 1c57 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c57 s LEU 93 N 0.00 2.09 0.06 0.99 1.43 -0.15 -0.74 118.68 122.35 1c57 s LEU 93 Ca 0.07 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1c57 s LEU 93 Cb -0.01 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 1c57 s LEU 93 CO 0.03 0.16 -0.06 -0.55 0.23 0.00 0.00 176.35 176.16 1c57 s SER 94 N -0.71 0.82 0.13 2.29 0.15 0.23 -0.96 113.70 115.66 1c57 s SER 94 Ca 0.06 -0.73 -0.20 0.00 0.70 0.00 0.00 55.95 55.77 1c57 s SER 94 Cb -0.07 0.08 0.05 0.00 -1.71 0.00 0.00 66.02 64.37 1c57 s SER 94 CO 0.00 -0.34 0.52 0.00 1.20 0.00 0.00 173.24 174.62 1c57 s ALA 95 N -2.34 -1.32 0.17 5.45 0.00 -0.84 -0.14 121.76 122.74 1c57 s ALA 95 Ca -0.02 0.30 -0.16 0.00 0.00 0.00 0.00 51.96 52.08 1c57 s ALA 95 Cb -0.03 0.75 0.03 0.00 0.00 0.00 0.00 23.12 23.86 1c57 s ALA 95 CO -0.02 -0.69 0.45 -1.54 0.00 0.00 0.00 175.76 173.95 1c57 s SER 96 N -2.67 -0.21 0.15 0.00 1.04 -1.12 -2.20 113.70 108.68 1c57 s SER 96 Ca 0.01 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 55.97 1c57 s SER 96 Cb 0.00 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1c57 s SER 96 CO -0.11 -0.96 0.02 0.42 0.98 0.00 0.00 173.24 173.58 1c57 s THR 97 N -3.86 0.45 0.00 2.02 -4.23 -0.17 -1.01 115.64 108.84 1c57 s THR 97 Ca 0.08 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1c57 s THR 97 Cb 0.01 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.79 1c57 s THR 97 CO -0.06 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 1c57 n GLY 98 N -0.17 4.04 0.27 3.99 0.00 -1.26 -1.14 105.19 110.93 1c57 n GLY 98 Ca -0.07 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 1c57 n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1c57 h LEU 99 N 0.00 1.02-10.18 0.99 5.85 -1.97 -0.41 115.31 110.61 1c57 h LEU 99 Ca 0.00 -0.43 -0.48 0.00 0.84 0.00 0.00 57.88 57.80 1c57 h LEU 99 Cb 0.00 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 1c57 h LEU 99 CO 0.00 1.24 -0.33 -0.31 -0.34 0.00 0.00 178.44 178.69 1c57 s TYR 100 N -4.52 3.48 0.29 1.25 2.02 -1.26 -4.93 117.35 113.68 1c57 s TYR 100 Ca -0.11 0.18 -0.04 0.00 -0.37 0.00 0.00 57.07 56.73 1c57 s TYR 100 Cb 0.12 -1.74 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 1c57 s TYR 100 CO 0.88 0.33 0.39 -1.59 -1.57 0.00 0.00 175.55 173.99 1c57 s LYS 101 N -3.94 1.68 -0.10 -0.62 0.00 -1.24 -4.48 119.74 111.03 1c57 s LYS 101 Ca 0.37 -1.65 -0.33 0.00 0.00 0.00 0.00 55.97 54.37 1c57 s LYS 101 Cb -0.10 0.41 0.12 0.00 0.00 0.00 0.00 37.83 38.26 1c57 s LYS 101 CO 0.31 -0.67 1.16 -1.83 0.00 0.00 0.00 175.35 174.33 1c57 s GLU 102 N -3.52 0.46 0.33 1.78 -1.05 -1.09 -3.34 118.70 112.27 1c57 s GLU 102 Ca 0.31 -0.20 -0.17 0.00 -0.15 0.00 0.00 54.97 54.76 1c57 s GLU 102 Cb 0.01 0.19 -0.09 0.00 -0.44 0.00 0.00 34.13 33.80 1c57 s GLU 102 CO 0.17 -0.20 0.79 0.95 0.95 0.00 0.00 175.26 177.91 1c57 s THR 103 N -2.58 4.58 -0.54 1.83 -4.23 0.58 -4.74 115.64 110.55 1c57 s THR 103 Ca 0.10 1.15 0.07 0.00 -1.18 0.00 0.00 61.69 61.83 1c57 s THR 103 Cb 0.00 -3.67 0.24 0.00 1.34 0.00 0.00 72.50 70.42 1c57 s THR 103 CO -0.05 -0.14 0.62 0.59 -0.54 0.00 0.00 174.62 175.11 1c57 n ASN 104 N -0.21 2.13 -4.73 3.99 4.13 -1.26 -3.60 115.26 115.71 1c57 n ASN 104 Ca 0.03 -3.09 -0.38 0.00 1.68 0.00 0.00 54.58 52.82 1c57 n ASN 104 Cb 0.53 -0.66 -0.06 0.00 -1.54 0.00 0.00 39.78 38.05 1c57 n ASN 104 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1c57 s THR 105 N -1.78 5.15 -0.20 3.41 2.01 -1.06 -1.95 115.64 121.22 1c57 s THR 105 Ca 0.37 1.00 -0.04 0.00 0.31 0.00 0.00 61.69 63.32 1c57 s THR 105 Cb 0.14 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 1c57 s THR 105 CO -0.07 0.34 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.55 1c57 s ILE 106 N 0.47 3.65 -0.13 1.82 -1.09 0.37 -0.70 121.20 125.59 1c57 s ILE 106 Ca 0.27 -0.41 0.18 0.00 -2.23 0.00 0.00 60.65 58.46 1c57 s ILE 106 Cb -0.16 -2.65 -0.22 0.00 -1.58 0.00 0.00 42.46 37.85 1c57 s ILE 106 CO 0.11 0.43 0.47 0.18 -1.23 0.00 0.00 174.94 174.91 1c57 n LEU 107 N 4.45 0.38 -3.47 2.97 4.32 -0.38 -1.61 117.00 123.66 1c57 n LEU 107 Ca -0.18 0.17 -0.14 0.00 -0.02 0.00 0.00 56.01 55.84 1c57 n LEU 107 Cb 0.51 0.22 -0.04 0.00 -1.62 0.00 0.00 43.42 42.50 1c57 n LEU 107 CO 0.30 0.26 0.40 -0.94 -1.22 0.00 0.00 177.39 176.19 1c57 s SER 108 N -5.44 -0.58 -0.25 -1.43 1.04 -1.23 -4.34 113.70 101.47 1c57 s SER 108 Ca -0.07 0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.48 1c57 s SER 108 Cb 0.09 0.57 0.09 0.00 0.10 0.00 0.00 66.02 66.87 1c57 s SER 108 CO 0.84 -0.83 0.59 0.86 0.98 0.00 0.00 173.24 175.67 1c57 s TRP 109 N -2.84 -1.01 0.09 5.02 -0.00 -0.09 -1.80 118.94 118.31 1c57 s TRP 109 Ca -0.03 1.94 0.05 0.00 -0.00 0.00 0.00 56.10 58.06 1c57 s TRP 109 Cb -0.01 0.56 -0.03 0.00 -0.00 0.00 0.00 33.47 34.00 1c57 s TRP 109 CO -0.05 -0.52 -0.14 -1.54 -0.00 0.00 0.00 176.95 174.70 1c57 s SER 110 N 2.04 1.73 -0.10 5.86 1.04 0.35 -0.41 113.70 124.21 1c57 s SER 110 Ca -0.08 -0.69 -0.12 0.00 0.48 0.00 0.00 55.95 55.54 1c57 s SER 110 Cb -0.08 -0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.02 1c57 s SER 110 CO -0.17 -0.12 0.32 0.12 0.98 0.00 0.00 173.24 174.37 1c57 s PHE 111 N -1.65 -0.31 -0.06 5.02 5.36 -0.45 -1.33 117.98 124.55 1c57 s PHE 111 Ca 0.02 0.73 -0.02 0.00 -0.96 0.00 0.00 56.93 56.69 1c57 s PHE 111 Cb -0.08 0.11 0.04 0.00 -0.34 0.00 0.00 43.02 42.75 1c57 s PHE 111 CO 0.02 -0.22 0.12 0.99 -1.46 0.00 0.00 175.22 174.67 1c57 s THR 112 N -0.18 -0.11 0.03 0.12 2.01 -0.45 -1.48 115.64 115.58 1c57 s THR 112 Ca -0.03 0.26 0.06 0.00 0.31 0.00 0.00 61.69 62.28 1c57 s THR 112 Cb -0.03 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.24 1c57 s THR 112 CO 0.01 0.11 -0.17 -0.94 -0.69 0.00 0.00 174.62 172.94 1c57 s SER 113 N 1.53 2.01 0.00 3.53 1.04 -0.29 -1.02 113.70 120.51 1c57 s SER 113 Ca -0.05 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 55.95 1c57 s SER 113 Cb -0.12 -0.16 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 1c57 s SER 113 CO -0.05 0.11 -0.04 -0.54 0.98 0.00 0.00 173.24 173.70 1c57 s LYS 114 N -1.00 0.32 -0.19 4.02 1.02 -0.09 -1.62 119.74 122.19 1c57 s LYS 114 Ca 0.05 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.80 1c57 s LYS 114 Cb -0.08 -0.25 0.05 0.00 -0.52 0.00 0.00 37.83 37.03 1c57 s LYS 114 CO 0.01 0.06 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.93 1c57 s LEU 115 N -0.36 2.06 -0.32 3.17 1.43 0.16 -1.38 118.68 123.44 1c57 s LEU 115 Ca -0.01 -0.87 -0.10 0.00 -1.03 0.00 0.00 54.13 52.12 1c57 s LEU 115 Cb -0.03 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 1c57 s LEU 115 CO -0.00 -0.19 0.17 -0.54 0.23 0.00 0.00 176.35 176.02 1c57 s LYS 116 N 1.50 3.35 0.74 1.70 1.02 0.25 -0.70 119.74 127.59 1c57 s LYS 116 Ca -0.02 -0.72 -0.07 0.00 0.02 0.00 0.00 55.97 55.19 1c57 s LYS 116 Cb -0.16 -3.61 0.09 0.00 -0.52 0.00 0.00 37.83 33.63 1c57 s LYS 116 CO -0.08 -0.43 1.05 0.45 -0.92 0.00 0.00 175.35 175.43 1c57 s SER 117 N 1.63 4.51 0.00 2.83 0.15 -0.65 0.35 113.70 122.52 1c57 s SER 117 Ca 0.05 0.31 0.25 0.00 0.70 0.00 0.00 55.95 57.25 1c57 s SER 117 Cb -0.17 -0.83 1.21 0.00 -1.71 0.00 0.00 66.02 64.51 1c57 s SER 117 CO 0.07 -1.79 1.81 -0.46 1.20 0.00 0.00 173.24 174.07 1c57 n ASN 118 N -3.02 0.76 -4.81 5.45 6.94 -1.02 -4.65 115.26 114.90 1c57 n ASN 118 Ca 0.10 -1.40 -0.34 0.00 -0.02 0.00 0.00 54.58 52.91 1c57 n ASN 118 Cb 0.60 -0.03 -0.07 0.00 -2.36 0.00 0.00 39.78 37.93 1c57 n ASN 118 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1c57 s SER 119 N -1.78 7.03 0.20 0.53 0.01 -1.26 -4.97 113.70 113.46 1c57 s SER 119 Ca 0.36 1.65 -0.32 0.00 1.31 0.00 0.00 55.95 58.95 1c57 s SER 119 Cb 0.18 -2.52 -0.12 0.00 0.21 0.00 0.00 66.02 63.78 1c57 s SER 119 CO 0.29 -0.23 1.74 0.41 0.41 0.00 0.00 173.24 175.87 1c57 n THR 120 N -0.17 0.05 -0.55 1.44 -1.04 -1.26 -2.08 114.28 110.67 1c57 n THR 120 Ca 0.04 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1c57 n THR 120 Cb 0.53 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.03 1c57 n THR 120 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1c57 n HIS 121 N 4.18 0.00 -2.15 -1.42 8.25 -1.26 -4.90 115.22 117.92 1c57 n HIS 121 Ca 0.16 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.21 1c57 n HIS 121 Cb 0.35 -1.43 -0.03 0.00 1.12 0.00 0.00 29.99 30.01 1c57 n HIS 121 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1c57 s GLU 122 N -0.98 3.08 -0.03 -0.41 -6.30 -0.88 -4.96 118.70 108.22 1c57 s GLU 122 Ca 0.00 0.81 -0.01 0.00 -2.50 0.00 0.00 54.97 53.27 1c57 s GLU 122 Cb 0.00 -4.24 0.03 0.00 0.00 0.00 0.00 34.13 29.93 1c57 s GLU 122 CO 0.00 -2.18 0.07 -0.08 0.02 0.00 0.00 175.26 173.09 1c57 s THR 123 N 7.36 -0.05 -0.08 -1.70 -1.32 -1.26 -1.64 115.64 116.95 1c57 s THR 123 Ca 0.66 0.19 -0.01 0.00 -1.21 0.00 0.00 61.69 61.31 1c57 s THR 123 Cb -0.15 -0.13 -0.03 0.00 -1.51 0.00 0.00 72.50 70.68 1c57 s THR 123 CO 0.26 0.08 -0.01 0.20 -2.21 0.00 0.00 174.62 172.94 1c57 s ASN 124 N 1.02 5.17 0.04 8.08 -0.87 0.12 -4.98 114.94 123.51 1c57 s ASN 124 Ca -0.08 0.11 -0.12 0.00 -1.57 0.00 0.00 52.86 51.20 1c57 s ASN 124 Cb -0.11 -1.43 0.01 0.00 -0.02 0.00 0.00 41.25 39.70 1c57 s ASN 124 CO -0.04 0.37 0.25 0.00 -2.57 0.00 0.00 177.10 175.11 1c57 s ALA 125 N -0.90 -0.54 -0.01 0.60 0.00 -1.26 -0.67 121.76 118.98 1c57 s ALA 125 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1c57 s ALA 125 Cb -0.11 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.31 1c57 s ALA 125 CO 0.03 -0.38 0.01 -1.17 0.00 0.00 0.00 175.76 174.25 1c57 s LEU 126 N -2.01 1.44 -0.10 0.00 2.96 -0.64 -5.01 118.68 115.32 1c57 s LEU 126 Ca -0.06 0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 53.80 1c57 s LEU 126 Cb -0.01 -0.09 0.04 0.00 0.50 0.00 0.00 46.19 46.63 1c57 s LEU 126 CO -0.03 -0.07 0.25 -2.28 -1.32 0.00 0.00 176.35 172.89 1c57 s HIS 127 N 0.65 -0.31 0.03 5.38 5.65 -1.26 -1.13 115.29 124.30 1c57 s HIS 127 Ca -0.06 0.75 0.01 0.00 0.25 0.00 0.00 55.06 56.01 1c57 s HIS 127 Cb -0.08 0.06 -0.02 0.00 -1.18 0.00 0.00 32.58 31.36 1c57 s HIS 127 CO -0.02 -0.20 -0.05 -0.59 -0.65 0.00 0.00 174.74 173.23 1c57 s PHE 128 N 0.91 0.47 -0.11 3.88 -0.12 -0.55 -5.01 117.98 117.47 1c57 s PHE 128 Ca -0.06 -0.54 -0.04 0.00 -0.05 0.00 0.00 56.93 56.23 1c57 s PHE 128 Cb -0.08 -0.30 0.05 0.00 -0.63 0.00 0.00 43.02 42.06 1c57 s PHE 128 CO -0.06 -0.14 0.23 1.41 -0.05 0.00 0.00 175.22 176.60 1c57 s MET 129 N -1.63 0.14 -0.17 1.99 1.75 -1.26 -1.35 119.30 118.77 1c57 s MET 129 Ca -0.12 0.60 -0.00 0.00 -1.25 0.00 0.00 55.69 54.92 1c57 s MET 129 Cb -0.09 -0.12 0.00 0.00 2.84 0.00 0.00 34.83 37.46 1c57 s MET 129 CO -0.01 -0.23 -0.15 -0.06 -0.65 0.00 0.00 175.02 173.92 1c57 s PHE 130 N 1.84 2.80 -0.25 4.11 0.08 0.45 -4.94 117.98 122.08 1c57 s PHE 130 Ca -0.03 -1.22 0.02 0.00 0.12 0.00 0.00 56.93 55.82 1c57 s PHE 130 Cb -0.11 -1.93 0.04 0.00 -0.57 0.00 0.00 43.02 40.45 1c57 s PHE 130 CO -0.08 -0.59 0.77 0.09 -0.10 0.00 0.00 175.22 175.31 1c57 n ASN 131 N 4.34 1.61 -3.64 1.36 4.13 -1.26 -0.91 115.26 120.89 1c57 n ASN 131 Ca -0.20 -1.47 -0.11 0.00 1.68 0.00 0.00 54.58 54.49 1c57 n ASN 131 Cb 0.51 -0.02 -0.07 0.00 -1.54 0.00 0.00 39.78 38.66 1c57 n ASN 131 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1c57 s GLN 132 N -0.53 0.64 -0.03 3.52 0.74 -1.26 -4.80 119.66 117.94 1c57 s GLN 132 Ca 0.04 0.77 0.05 0.00 0.05 0.00 0.00 55.36 56.27 1c57 s GLN 132 Cb 0.02 0.30 -0.03 0.00 1.10 0.00 0.00 33.01 34.41 1c57 s GLN 132 CO 0.03 -0.08 -0.17 -0.06 -0.55 0.00 0.00 175.29 174.47 1c57 s PHE 133 N 0.34 2.62 0.36 1.67 0.40 -0.06 -5.03 117.98 118.28 1c57 s PHE 133 Ca 0.01 -0.22 0.05 0.00 -0.60 0.00 0.00 56.93 56.17 1c57 s PHE 133 Cb -0.05 -1.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.89 1c57 s PHE 133 CO -0.04 0.16 0.51 -1.12 0.70 0.00 0.00 175.22 175.43 1c57 s SER 134 N -0.81 5.98 0.33 1.36 0.01 -1.26 -3.79 113.70 115.52 1c57 s SER 134 Ca 0.12 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.37 1c57 s SER 134 Cb -0.10 -1.39 0.57 0.00 0.21 0.00 0.00 66.02 65.30 1c57 s SER 134 CO 0.01 -0.47 1.96 0.11 0.41 0.00 0.00 173.24 175.26 1c57 h LYS 135 N 0.78 0.84 -3.25 12.44 1.79 -1.86 -3.26 116.57 124.05 1c57 h LYS 135 Ca -0.47 -0.08 -0.65 0.00 -2.18 0.00 0.00 60.65 57.28 1c57 h LYS 135 Cb 1.25 -0.17 -0.40 0.00 -1.58 0.00 0.00 32.23 31.33 1c57 h LYS 135 CO 0.55 0.61 -0.50 0.34 -1.08 0.00 0.00 179.45 179.37 1c57 s ASP 136 N -6.49 4.88 -0.91 0.86 2.15 -1.26 -4.75 116.67 111.15 1c57 s ASP 136 Ca -0.10 -3.49 -0.16 0.00 0.43 0.00 0.00 52.55 49.23 1c57 s ASP 136 Cb 0.17 -1.70 0.18 0.00 -0.30 0.00 0.00 42.92 41.28 1c57 s ASP 136 CO 0.77 -0.17 0.97 -1.58 -0.17 0.00 0.00 175.17 175.00 1c57 s GLN 137 N -0.96 3.66 0.39 4.34 2.00 -1.23 -4.90 119.66 122.95 1c57 s GLN 137 Ca 0.22 -2.22 0.28 0.00 -2.00 0.00 0.00 55.36 51.64 1c57 s GLN 137 Cb -0.13 -4.67 1.30 0.00 0.80 0.00 0.00 33.01 30.31 1c57 s GLN 137 CO -0.10 -1.51 1.84 0.87 -0.50 0.00 0.00 175.29 175.88 1c57 h LYS 138 N 8.13 0.00 -0.56 1.67 1.57 -1.95 -2.58 116.57 122.85 1c57 h LYS 138 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1c57 h LYS 138 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1c57 h LYS 138 CO 0.94 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.42 1c57 n ASP 139 N -2.51 3.03 -4.21 0.86 5.68 -1.26 -4.86 116.55 113.28 1c57 n ASP 139 Ca 0.00 -2.17 -0.25 0.00 -0.50 0.00 0.00 54.79 51.87 1c57 n ASP 139 Cb 0.17 -0.41 -0.15 0.00 -1.14 0.00 0.00 41.12 39.59 1c57 n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1c57 s LEU 140 N -1.23 2.08 -0.36 -2.12 1.43 -0.97 -0.97 118.68 116.54 1c57 s LEU 140 Ca 0.34 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.91 1c57 s LEU 140 Cb 0.20 -0.96 0.01 0.00 0.03 0.00 0.00 46.19 45.47 1c57 s LEU 140 CO 0.19 0.20 0.22 -0.63 0.23 0.00 0.00 176.35 176.56 1c57 s ILE 141 N -0.58 4.87 -0.12 -0.59 1.01 0.55 -4.86 121.20 121.48 1c57 s ILE 141 Ca 0.07 -0.58 -0.13 0.00 0.00 0.00 0.00 60.65 60.00 1c57 s ILE 141 Cb -0.08 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 1c57 s ILE 141 CO 0.00 -0.13 0.31 -0.76 0.00 0.00 0.00 174.94 174.36 1c57 s LEU 142 N 1.63 4.32 0.08 2.97 1.43 -1.26 -1.00 118.68 126.84 1c57 s LEU 142 Ca 0.04 0.63 0.08 0.00 -1.03 0.00 0.00 54.13 53.85 1c57 s LEU 142 Cb -0.18 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 1c57 s LEU 142 CO 0.08 0.18 -0.21 -1.10 0.23 0.00 0.00 176.35 175.54 1c57 s GLN 143 N -0.06 1.23 6.68 1.70 -0.21 0.25 -4.99 119.66 124.26 1c57 s GLN 143 Ca 0.19 -1.06 0.00 0.00 0.02 0.00 0.00 55.36 54.50 1c57 s GLN 143 Cb -0.14 -1.43 0.00 0.00 1.00 0.00 0.00 33.01 32.44 1c57 s GLN 143 CO 0.06 0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.99 1c57 n GLY 144 N 1.42 2.28 0.37 3.09 0.00 -1.26 -1.50 105.19 109.59 1c57 n GLY 144 Ca -0.19 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.58 1c57 n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c57 n ASP 145 N 4.68 1.14 -4.76 1.61 8.00 0.42 -4.94 116.55 122.70 1c57 n ASP 145 Ca 0.00 -1.42 -0.41 0.00 0.71 0.00 0.00 54.79 53.67 1c57 n ASP 145 Cb 0.00 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.07 1c57 n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c57 s ALA 146 N -1.97 3.59 0.04 2.24 0.00 -1.14 -4.40 121.76 120.12 1c57 s ALA 146 Ca 0.39 1.35 -0.03 0.00 0.00 0.00 0.00 51.96 53.68 1c57 s ALA 146 Cb 0.20 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1c57 s ALA 146 CO 0.33 -0.77 0.02 0.95 0.00 0.00 0.00 175.76 176.29 1c57 s THR 147 N -0.47 0.16 0.22 0.00 -4.23 -0.44 -4.74 115.64 106.13 1c57 s THR 147 Ca 0.56 -1.34 0.09 0.00 -1.18 0.00 0.00 61.69 59.82 1c57 s THR 147 Cb -0.42 -1.02 -0.05 0.00 1.34 0.00 0.00 72.50 72.35 1c57 s THR 147 CO 0.49 -0.74 -0.16 0.42 -0.54 0.00 0.00 174.62 174.09 1c57 s THR 148 N -2.93 1.93 0.00 3.99 -4.23 -1.26 -0.73 115.64 112.41 1c57 s THR 148 Ca -0.02 -2.25 0.00 0.00 -1.18 0.00 0.00 61.69 58.23 1c57 s THR 148 Cb 0.01 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.74 1c57 s THR 148 CO -0.06 -0.54 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 1c57 n GLY 149 N -0.42 2.23 3.58 3.99 0.00 -0.82 -4.27 105.19 109.48 1c57 n GLY 149 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1c57 n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c57 s THR 150 N -2.23 3.63 -1.31 2.61 2.01 -1.25 -2.67 115.64 116.43 1c57 s THR 150 Ca 0.00 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1c57 s THR 150 Cb 0.00 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1c57 s THR 150 CO 0.00 -0.78 0.00 0.47 -0.69 0.00 0.00 174.62 173.62 1c57 n ASP 151 N 10.28 -4.88 -0.09 3.53 8.00 -1.26 -1.60 116.55 130.53 1c57 n ASP 151 Ca 0.18 0.30 -0.01 0.00 0.71 0.00 0.00 54.79 55.98 1c57 n ASP 151 Cb 0.49 -3.47 -0.00 0.00 -0.02 0.00 0.00 41.12 38.12 1c57 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c57 n GLY 152 N -0.94 0.50 3.83 0.44 0.00 -1.09 -4.98 105.19 102.95 1c57 n GLY 152 Ca -0.12 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 1c57 n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1c57 s ASN 153 N -2.43 4.92 -0.29 1.61 0.01 -0.63 -0.88 114.94 117.26 1c57 s ASN 153 Ca 0.00 -0.77 -0.08 0.00 -0.71 0.00 0.00 52.86 51.30 1c57 s ASN 153 Cb 0.00 -0.63 -0.00 0.00 0.41 0.00 0.00 41.25 41.03 1c57 s ASN 153 CO 0.00 -0.55 0.10 -0.22 -1.51 0.00 0.00 177.10 174.93 1c57 s LEU 154 N -4.03 3.86 -0.47 0.60 2.96 -0.64 -1.95 118.68 119.02 1c57 s LEU 154 Ca 0.45 -0.56 -0.16 0.00 -0.22 0.00 0.00 54.13 53.64 1c57 s LEU 154 Cb -0.02 -1.93 0.06 0.00 0.50 0.00 0.00 46.19 44.80 1c57 s LEU 154 CO 0.26 -0.17 0.40 -1.61 -1.32 0.00 0.00 176.35 173.91 1c57 s GLU 155 N 1.56 2.99 0.26 1.98 0.41 0.09 -0.48 118.70 125.50 1c57 s GLU 155 Ca 0.04 -1.27 0.02 0.00 -0.41 0.00 0.00 54.97 53.34 1c57 s GLU 155 Cb -0.17 -4.11 0.34 0.00 -1.78 0.00 0.00 34.13 28.41 1c57 s GLU 155 CO 0.04 -1.01 1.67 -0.07 -0.49 0.00 0.00 175.26 175.40 1c57 h LEU 156 N 8.81 0.49 -9.26 1.80 3.38 -1.65 -1.18 115.31 117.70 1c57 h LEU 156 Ca -0.28 -0.19 -0.59 0.00 0.09 0.00 0.00 57.88 56.91 1c57 h LEU 156 Cb 1.11 -0.14 -0.14 0.00 0.09 0.00 0.00 40.66 41.59 1c57 h LEU 156 CO 0.87 0.79 -0.72 0.42 0.09 0.00 0.00 178.44 179.88 1c57 s THR 157 N -4.35 2.28 0.26 0.22 -4.23 -1.26 -2.87 115.64 105.69 1c57 s THR 157 Ca -0.07 -2.30 -0.31 0.00 -1.18 0.00 0.00 61.69 57.83 1c57 s THR 157 Cb 0.13 -2.41 -0.12 0.00 1.34 0.00 0.00 72.50 71.44 1c57 s THR 157 CO 0.80 -0.34 1.66 -0.13 -0.54 0.00 0.00 174.62 176.07 1c57 s ARG 158 N -3.57 4.11 -0.05 3.99 1.81 -1.26 -4.78 118.95 119.20 1c57 s ARG 158 Ca 0.30 2.61 0.02 0.00 -1.72 0.00 0.00 55.73 56.94 1c57 s ARG 158 Cb -0.01 -3.04 0.01 0.00 -0.45 0.00 0.00 34.95 31.46 1c57 s ARG 158 CO 0.15 -0.69 -0.10 0.08 -0.68 0.00 0.00 175.30 174.06 1c57 s VAL 159 N 0.47 0.91 1.17 3.52 1.01 -1.26 -1.36 120.40 124.85 1c57 s VAL 159 Ca 0.68 -0.37 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 1c57 s VAL 159 Cb -0.49 -0.84 0.28 0.00 0.00 0.00 0.00 36.38 35.32 1c57 s VAL 159 CO 0.42 0.30 1.16 -0.94 0.00 0.00 0.00 175.10 176.03 1c57 s SER 160 N 0.59 1.27 0.19 3.32 1.04 0.91 -4.89 113.70 116.12 1c57 s SER 160 Ca -0.11 0.52 -0.12 0.00 0.48 0.00 0.00 55.95 56.72 1c57 s SER 160 Cb -0.14 -0.69 0.14 0.00 0.10 0.00 0.00 66.02 65.44 1c57 s SER 160 CO 0.02 -3.90 1.81 0.28 0.98 0.00 0.00 173.24 172.44 1c57 h SER 161 N -2.43 0.53 0.00 7.02 0.02 -2.02 -1.82 113.55 114.85 1c57 h SER 161 Ca -0.44 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1c57 h SER 161 Cb 1.28 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1c57 h SER 161 CO 0.33 0.36 0.00 -0.46 -1.14 0.00 0.00 176.83 175.93 1c57 n ASN 162 N -4.79 0.01 0.00 3.07 6.94 -1.26 -4.82 115.26 114.42 1c57 n ASN 162 Ca 0.05 -1.39 0.00 0.00 -0.02 0.00 0.00 54.58 53.22 1c57 n ASN 162 Cb 0.10 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 1c57 n ASN 162 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1c57 n GLY 163 N 0.20 0.64 3.70 4.83 0.00 -0.68 -5.03 105.19 108.84 1c57 n GLY 163 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1c57 n GLY 163 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1c57 s SER 164 N -2.26 7.12 0.33 1.61 0.15 -1.26 -4.76 113.70 114.63 1c57 s SER 164 Ca 0.00 1.36 -0.28 0.00 0.70 0.00 0.00 55.95 57.73 1c57 s SER 164 Cb 0.00 -2.49 -0.09 0.00 -1.71 0.00 0.00 66.02 61.73 1c57 s SER 164 CO 0.00 -0.30 1.15 -2.16 1.20 0.00 0.00 173.24 173.13 1c57 s PRO 165 N 1.49 4.41 0.12 5.44 0.04 -1.26 -0.06 135.00 145.18 1c57 s PRO 165 Ca 0.43 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1c57 s PRO 165 Cb -0.18 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1c57 s PRO 165 CO 0.19 -0.01 0.28 -0.65 0.04 0.00 0.00 177.00 176.85 1c57 s GLN 166 N -1.80 3.47 0.74 4.56 -1.52 -0.46 -4.81 119.66 119.84 1c57 s GLN 166 Ca 0.49 -0.45 -0.05 0.00 -1.95 0.00 0.00 55.36 53.40 1c57 s GLN 166 Cb -0.32 -2.96 0.12 0.00 -0.22 0.00 0.00 33.01 29.62 1c57 s GLN 166 CO 0.41 0.53 1.04 0.20 -0.25 0.00 0.00 175.29 177.22 1c57 s GLY 167 N -2.88 1.76 -1.48 3.09 0.00 -1.26 -4.42 107.32 102.13 1c57 s GLY 167 Ca 0.36 -1.41 -0.03 0.00 0.00 0.00 0.00 44.72 43.64 1c57 s GLY 167 CO 0.28 -0.87 0.41 1.44 0.00 0.00 0.00 173.10 174.36 1c57 n SER 168 N -2.98 -0.57 -4.36 1.64 7.64 -0.16 -4.83 113.62 110.00 1c57 n SER 168 Ca 0.13 -1.05 -0.29 0.00 1.01 0.00 0.00 58.87 58.67 1c57 n SER 168 Cb 0.60 -2.77 -0.13 0.00 -1.01 0.00 0.00 64.21 60.90 1c57 n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1c57 s SER 169 N -4.21 3.17 -0.12 6.43 0.15 -1.15 -4.95 113.70 113.03 1c57 s SER 169 Ca 0.12 -0.70 -0.09 0.00 0.70 0.00 0.00 55.95 55.98 1c57 s SER 169 Cb -0.07 -0.22 0.04 0.00 -1.71 0.00 0.00 66.02 64.06 1c57 s SER 169 CO 0.91 0.18 0.30 0.54 1.20 0.00 0.00 173.24 176.38 1c57 s VAL 170 N -1.01 -0.01 -0.03 4.45 0.11 -1.26 -0.99 120.40 121.65 1c57 s VAL 170 Ca 0.12 0.05 -0.25 0.00 -2.93 0.00 0.00 61.98 58.97 1c57 s VAL 170 Cb -0.10 -0.44 0.05 0.00 -1.53 0.00 0.00 36.38 34.37 1c57 s VAL 170 CO 0.05 0.02 0.55 -0.83 -3.33 0.00 0.00 175.10 171.56 1c57 s GLY 171 N 0.59 -0.43 0.04 6.54 0.00 -0.94 -0.43 107.32 112.69 1c57 s GLY 171 Ca -0.04 0.95 -0.03 0.00 0.00 0.00 0.00 44.72 45.61 1c57 s GLY 171 CO -0.04 0.64 0.02 0.50 0.00 0.00 0.00 173.10 174.22 1c57 s ARG 172 N -1.33 0.56 -0.06 2.90 0.52 -0.56 -1.98 118.95 119.00 1c57 s ARG 172 Ca -0.11 -0.96 -0.00 0.00 -0.52 0.00 0.00 55.73 54.14 1c57 s ARG 172 Cb -0.02 0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.68 1c57 s ARG 172 CO 0.07 -0.12 -0.03 0.00 0.02 0.00 0.00 175.30 175.24 1c57 s ALA 173 N -3.08 0.77 0.07 2.13 0.00 -0.13 -0.58 121.76 120.94 1c57 s ALA 173 Ca -0.01 -0.14 0.10 0.00 0.00 0.00 0.00 51.96 51.90 1c57 s ALA 173 Cb 0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1c57 s ALA 173 CO -0.07 -0.23 -0.26 -0.51 0.00 0.00 0.00 175.76 174.69 1c57 s LEU 174 N 1.40 2.23 0.30 0.00 1.02 -0.17 -0.98 118.68 122.48 1c57 s LEU 174 Ca -0.03 -0.63 -0.29 0.00 0.02 0.00 0.00 54.13 53.20 1c57 s LEU 174 Cb -0.13 -1.28 -0.10 0.00 0.02 0.00 0.00 46.19 44.70 1c57 s LEU 174 CO -0.03 0.24 1.22 0.12 0.02 0.00 0.00 176.35 177.92 1c57 s PHE 175 N -0.88 3.28 0.17 0.29 5.36 -0.73 -0.33 117.98 125.13 1c57 s PHE 175 Ca 0.12 1.52 -0.15 0.00 -0.96 0.00 0.00 56.93 57.47 1c57 s PHE 175 Cb -0.10 -3.51 0.09 0.00 -0.34 0.00 0.00 43.02 39.16 1c57 s PHE 175 CO 0.03 -1.32 1.77 -0.92 -1.46 0.00 0.00 175.22 173.32 1c57 h TYR 176 N 3.70 0.35 -3.61 10.12 3.20 -1.39 -3.44 116.97 125.90 1c57 h TYR 176 Ca -0.48 0.02 -0.51 0.00 3.14 0.00 0.00 58.73 60.90 1c57 h TYR 176 Cb 1.22 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 1c57 h TYR 176 CO 0.57 0.16 0.38 0.00 -1.64 0.00 0.00 178.16 177.64 1c57 s ALA 177 N -6.15 3.29 0.79 1.82 0.00 -1.26 -5.03 121.76 115.23 1c57 s ALA 177 Ca -0.13 0.63 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 1c57 s ALA 177 Cb 0.13 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 20.04 1c57 s ALA 177 CO 0.72 -0.00 1.13 -2.14 0.00 0.00 0.00 175.76 175.47 1c57 s PRO 178 N -0.36 1.95 -0.08 0.00 0.02 -1.26 -4.83 135.00 130.44 1c57 s PRO 178 Ca 0.46 1.42 0.05 0.00 0.02 0.00 0.00 61.00 62.95 1c57 s PRO 178 Cb -0.25 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.42 1c57 s PRO 178 CO 0.31 -1.91 -0.24 0.08 -0.33 0.00 0.00 177.00 174.91 1c57 s VAL 179 N -2.58 2.11 -0.41 3.83 1.01 0.11 -4.94 120.40 119.54 1c57 s VAL 179 Ca 0.66 -1.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 1c57 s VAL 179 Cb -0.21 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.40 1c57 s VAL 179 CO 0.52 0.56 0.66 -2.28 0.00 0.00 0.00 175.10 174.57 1c57 s HIS 180 N 0.04 3.09 -1.65 5.22 2.46 -1.26 -1.34 115.29 121.85 1c57 s HIS 180 Ca -0.10 0.12 0.16 0.00 0.47 0.00 0.00 55.06 55.72 1c57 s HIS 180 Cb -0.15 -3.31 0.03 0.00 -0.13 0.00 0.00 32.58 29.01 1c57 s HIS 180 CO 0.06 -0.80 0.90 0.44 -2.47 0.00 0.00 174.74 172.88 1c57 n ILE 181 N 5.79 0.00 -3.73 0.89 -5.35 -0.46 -4.88 119.36 111.63 1c57 n ILE 181 Ca -0.01 -0.37 -0.13 0.00 -0.27 0.00 0.00 62.75 61.96 1c57 n ILE 181 Cb 0.48 1.23 -0.09 0.00 -1.74 0.00 0.00 39.64 39.52 1c57 n ILE 181 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 1c57 s TRP 182 N -1.79 -0.41 -0.10 4.28 -0.00 -1.23 -4.90 118.94 114.80 1c57 s TRP 182 Ca 0.15 0.94 -0.12 0.00 -0.00 0.00 0.00 56.10 57.07 1c57 s TRP 182 Cb 0.13 0.16 0.03 0.00 -0.00 0.00 0.00 33.47 33.79 1c57 s TRP 182 CO 0.36 -0.27 0.33 -2.00 -0.00 0.00 0.00 176.95 175.36 1c57 s GLU 183 N -0.17 0.46 0.55 5.86 -6.30 -1.26 -4.89 118.70 112.94 1c57 s GLU 183 Ca -0.03 0.29 0.25 0.00 -2.50 0.00 0.00 54.97 52.98 1c57 s GLU 183 Cb -0.03 0.22 1.45 0.00 0.00 0.00 0.00 34.13 35.77 1c57 s GLU 183 CO 0.02 -0.08 2.04 0.66 0.02 0.00 0.00 175.26 177.92 1c57 h SER 184 N 5.16 0.00 -0.56 -1.70 4.64 -2.03 -1.82 113.55 117.25 1c57 h SER 184 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1c57 h SER 184 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1c57 h SER 184 CO 0.32 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.74 1c57 n SER 185 N -4.20 3.94 -4.72 4.97 3.41 -1.26 -4.97 113.62 110.79 1c57 n SER 185 Ca 0.05 -2.23 -0.41 0.00 -0.26 0.00 0.00 58.87 56.02 1c57 n SER 185 Cb 0.46 -0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 63.92 1c57 n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c57 s ALA 186 N -1.43 3.28 -0.12 7.33 0.00 -0.69 -2.44 121.76 127.70 1c57 s ALA 186 Ca 0.42 0.67 0.20 0.00 0.00 0.00 0.00 51.96 53.25 1c57 s ALA 186 Cb 0.25 -3.34 -0.25 0.00 0.00 0.00 0.00 23.12 19.78 1c57 s ALA 186 CO 0.24 -0.20 0.45 1.33 0.00 0.00 0.00 175.76 177.58 1c57 n VAL 187 N 3.22 0.72 -3.71 0.00 0.24 0.16 -4.91 118.33 114.04 1c57 n VAL 187 Ca 0.05 -0.66 -0.12 0.00 -2.04 0.00 0.00 64.34 61.57 1c57 n VAL 187 Cb 0.48 -0.32 -0.12 0.00 -1.47 0.00 0.00 33.84 32.42 1c57 n VAL 187 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1c57 s VAL 188 N -3.06 -0.06 -0.04 3.34 1.01 -1.12 -4.85 120.40 115.62 1c57 s VAL 188 Ca -0.07 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.09 1c57 s VAL 188 Cb 0.10 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1c57 s VAL 188 CO 0.86 0.05 -0.18 0.00 0.00 0.00 0.00 175.10 175.83 1c57 s ALA 189 N 1.40 1.56 0.14 5.51 0.00 -1.26 -0.58 121.76 128.52 1c57 s ALA 189 Ca -0.09 -0.72 -0.16 0.00 0.00 0.00 0.00 51.96 50.99 1c57 s ALA 189 Cb -0.10 -0.50 0.03 0.00 0.00 0.00 0.00 23.12 22.56 1c57 s ALA 189 CO -0.10 0.30 0.42 -1.54 0.00 0.00 0.00 175.76 174.83 1c57 s SER 190 N -0.03 -0.24 0.06 0.00 1.04 -0.48 -0.08 113.70 113.97 1c57 s SER 190 Ca -0.02 -0.35 -0.12 0.00 0.48 0.00 0.00 55.95 55.94 1c57 s SER 190 Cb -0.11 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.52 1c57 s SER 190 CO 0.02 -0.89 0.27 0.72 0.98 0.00 0.00 173.24 174.34 1c57 s PHE 191 N -3.82 -0.04 -0.05 5.02 -0.12 -0.67 -0.92 117.98 117.39 1c57 s PHE 191 Ca 0.04 -0.18 -0.03 0.00 -0.05 0.00 0.00 56.93 56.71 1c57 s PHE 191 Cb 0.01 0.06 0.02 0.00 -0.63 0.00 0.00 43.02 42.48 1c57 s PHE 191 CO -0.10 -0.51 0.11 -1.83 -0.05 0.00 0.00 175.22 172.83 1c57 s GLU 192 N -2.90 0.10 0.04 1.99 -1.05 -0.19 -2.07 118.70 114.62 1c57 s GLU 192 Ca -0.03 0.22 0.05 0.00 -0.15 0.00 0.00 54.97 55.06 1c57 s GLU 192 Cb 0.00 -0.05 -0.02 0.00 -0.44 0.00 0.00 34.13 33.62 1c57 s GLU 192 CO -0.06 -0.08 -0.13 0.00 0.95 0.00 0.00 175.26 175.94 1c57 s ALA 193 N 0.52 1.12 -0.05 -0.84 0.00 0.32 -1.35 121.76 121.48 1c57 s ALA 193 Ca -0.04 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 1c57 s ALA 193 Cb -0.05 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1c57 s ALA 193 CO -0.02 0.19 0.12 0.99 0.00 0.00 0.00 175.76 177.04 1c57 s THR 194 N -0.95 -0.02 -0.02 0.00 2.01 -0.44 -0.56 115.64 115.66 1c57 s THR 194 Ca 0.00 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 61.95 1c57 s THR 194 Cb -0.08 -0.18 0.02 0.00 0.01 0.00 0.00 72.50 72.26 1c57 s THR 194 CO 0.01 0.03 0.24 0.72 -0.69 0.00 0.00 174.62 174.93 1c57 s PHE 195 N 0.43 -0.11 -0.03 4.92 -0.71 -0.75 -0.49 117.98 121.23 1c57 s PHE 195 Ca -0.03 0.18 0.03 0.00 -1.04 0.00 0.00 56.93 56.07 1c57 s PHE 195 Cb -0.04 0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.78 1c57 s PHE 195 CO -0.02 -0.32 -0.11 0.95 -1.34 0.00 0.00 175.22 174.39 1c57 s THR 196 N -1.15 3.35 0.10 -4.49 -4.23 -0.75 -1.24 115.64 107.22 1c57 s THR 196 Ca -0.12 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1c57 s THR 196 Cb -0.06 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 1c57 s THR 196 CO 0.03 0.53 -0.03 0.72 -0.54 0.00 0.00 174.62 175.33 1c57 s PHE 197 N -0.83 0.81 -0.24 3.99 -0.71 -0.59 -1.25 117.98 119.17 1c57 s PHE 197 Ca 0.13 -1.03 -0.02 0.00 -1.04 0.00 0.00 56.93 54.97 1c57 s PHE 197 Cb -0.11 -0.50 0.08 0.00 -1.21 0.00 0.00 43.02 41.28 1c57 s PHE 197 CO 0.03 -0.28 0.06 -1.17 -1.34 0.00 0.00 175.22 172.52 1c57 s LEU 198 N -3.02 1.43 -0.27 -1.99 0.20 0.13 -1.13 118.68 114.03 1c57 s LEU 198 Ca 0.14 -1.13 -0.09 0.00 0.69 0.00 0.00 54.13 53.74 1c57 s LEU 198 Cb 0.07 -0.65 -0.04 0.00 -0.43 0.00 0.00 46.19 45.13 1c57 s LEU 198 CO -0.04 -0.35 0.14 -0.63 -0.29 0.00 0.00 176.35 175.17 1c57 s ILE 199 N 1.81 4.89 -0.02 6.68 1.01 -1.26 -2.55 121.20 131.77 1c57 s ILE 199 Ca 0.03 0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.72 1c57 s ILE 199 Cb -0.17 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1c57 s ILE 199 CO -0.17 0.28 -0.07 -0.75 0.00 0.00 0.00 174.94 174.23 1c57 s LYS 200 N 1.70 0.73 -0.03 2.79 2.47 -1.24 -0.60 119.74 125.56 1c57 s LYS 200 Ca 0.07 -0.24 -0.05 0.00 -1.56 0.00 0.00 55.97 54.19 1c57 s LYS 200 Cb -0.16 -0.70 0.01 0.00 -1.46 0.00 0.00 37.83 35.52 1c57 s LYS 200 CO 0.08 0.10 0.12 0.45 0.16 0.00 0.00 175.35 176.26 1c57 s SER 201 N 0.13 -0.06 0.35 1.43 0.15 -1.26 -0.31 113.70 114.13 1c57 s SER 201 Ca -0.02 0.07 0.26 0.00 0.70 0.00 0.00 55.95 56.96 1c57 s SER 201 Cb -0.07 0.24 0.71 0.00 -1.71 0.00 0.00 66.02 65.19 1c57 s SER 201 CO -0.00 -0.16 1.73 -0.65 1.20 0.00 0.00 173.24 175.36 1c57 h PRO 202 N 5.34 0.00 -6.57 5.44 0.11 -1.98 -3.46 132.00 130.87 1c57 h PRO 202 Ca -0.27 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.37 1c57 h PRO 202 Cb 1.20 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.32 1c57 h PRO 202 CO 0.42 0.00 -0.16 -0.51 -0.21 0.00 0.00 178.00 177.54 1c57 s ASP 203 N -5.30 6.20 0.26 -2.05 1.01 -1.26 -5.00 116.67 110.53 1c57 s ASP 203 Ca 0.07 0.43 0.26 0.00 0.71 0.00 0.00 52.55 54.02 1c57 s ASP 203 Cb 0.09 -1.94 0.84 0.00 1.01 0.00 0.00 42.92 42.91 1c57 s ASP 203 CO 0.60 -0.39 1.76 0.28 0.21 0.00 0.00 175.17 177.63 1c57 h SER 204 N 0.66 0.00 -3.81 0.27 0.02 -1.98 -3.38 113.55 105.34 1c57 h SER 204 Ca -0.49 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 59.83 1c57 h SER 204 Cb 1.22 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.36 1c57 h SER 204 CO 0.60 0.00 -0.65 -1.00 -1.14 0.00 0.00 176.83 174.64 1c57 s HIS 205 N -3.19 2.92 0.63 3.45 3.76 -1.26 -5.11 115.29 116.49 1c57 s HIS 205 Ca 0.08 -3.01 -0.13 0.00 -0.15 0.00 0.00 55.06 51.85 1c57 s HIS 205 Cb 0.11 -2.51 -0.02 0.00 1.11 0.00 0.00 32.58 31.27 1c57 s HIS 205 CO 0.55 -0.71 1.05 -2.14 -0.85 0.00 0.00 174.74 172.64 1c57 s PRO 206 N -0.41 3.23 0.03 8.40 0.02 -1.26 -4.37 135.00 140.65 1c57 s PRO 206 Ca 0.20 1.04 -0.27 0.00 0.02 0.00 0.00 61.00 61.98 1c57 s PRO 206 Cb -0.19 -2.03 0.08 0.00 0.02 0.00 0.00 34.50 32.38 1c57 s PRO 206 CO -0.05 -0.87 0.74 0.00 -0.33 0.00 0.00 177.00 176.50 1c57 s ALA 207 N -2.78 -1.74 -0.03 -1.55 0.00 -1.21 -4.07 121.76 110.38 1c57 s ALA 207 Ca 0.60 0.96 0.09 0.00 0.00 0.00 0.00 51.96 53.61 1c57 s ALA 207 Cb -0.14 0.35 -0.13 0.00 0.00 0.00 0.00 23.12 23.20 1c57 s ALA 207 CO 0.45 -0.59 0.15 -0.25 0.00 0.00 0.00 175.76 175.52 1c57 n ASP 208 N 0.11 2.93 0.00 0.00 8.00 -0.18 -2.68 116.55 124.74 1c57 n ASP 208 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1c57 n ASP 208 Cb 0.61 1.20 0.00 0.00 -0.02 0.00 0.00 41.12 42.92 1c57 n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c57 n GLY 209 N 2.13 1.31 3.20 0.44 0.00 -1.23 -2.32 105.19 108.72 1c57 n GLY 209 Ca -0.05 -1.79 -0.21 0.00 0.00 0.00 0.00 46.02 43.96 1c57 n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c57 s ILE 210 N -1.38 1.33 -0.01 -0.61 1.01 -0.69 -2.80 121.20 118.05 1c57 s ILE 210 Ca 0.00 -1.21 -0.02 0.00 0.00 0.00 0.00 60.65 59.42 1c57 s ILE 210 Cb 0.00 -1.21 0.00 0.00 0.01 0.00 0.00 42.46 41.26 1c57 s ILE 210 CO 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 174.94 174.96 1c57 s ALA 211 N -0.99 -0.10 -0.09 9.38 0.00 0.80 -0.00 121.76 130.75 1c57 s ALA 211 Ca 0.03 0.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.92 1c57 s ALA 211 Cb -0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 1c57 s ALA 211 CO 0.02 -0.04 0.34 0.12 0.00 0.00 0.00 175.76 176.20 1c57 s PHE 212 N -0.14 3.58 0.10 0.00 5.36 -0.58 -0.60 117.98 125.70 1c57 s PHE 212 Ca -0.02 0.76 -0.03 0.00 -0.96 0.00 0.00 56.93 56.69 1c57 s PHE 212 Cb -0.01 -2.29 -0.03 0.00 -0.34 0.00 0.00 43.02 40.34 1c57 s PHE 212 CO 0.00 0.44 0.07 -0.59 -1.46 0.00 0.00 175.22 173.68 1c57 s PHE 213 N -0.26 0.59 -0.04 10.12 -0.71 0.08 -1.07 117.98 126.69 1c57 s PHE 213 Ca 0.20 -1.04 0.03 0.00 -1.04 0.00 0.00 56.93 55.09 1c57 s PHE 213 Cb -0.14 -0.35 0.00 0.00 -1.21 0.00 0.00 43.02 41.32 1c57 s PHE 213 CO 0.08 -0.49 -0.14 0.42 -1.34 0.00 0.00 175.22 173.75 1c57 s ILE 214 N -3.97 1.16 0.32 -4.49 1.01 0.08 -1.08 121.20 114.24 1c57 s ILE 214 Ca 0.14 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 1c57 s ILE 214 Cb 0.07 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.52 1c57 s ILE 214 CO -0.04 0.35 0.47 -0.94 0.00 0.00 0.00 174.94 174.77 1c57 s SER 215 N 0.22 0.64 0.74 3.58 1.04 -0.59 -1.89 113.70 117.44 1c57 s SER 215 Ca -0.06 -1.36 -0.15 0.00 0.48 0.00 0.00 55.95 54.86 1c57 s SER 215 Cb -0.11 0.64 0.04 0.00 0.10 0.00 0.00 66.02 66.68 1c57 s SER 215 CO 0.02 -1.25 1.25 0.54 0.98 0.00 0.00 173.24 174.78 1c57 s ASN 216 N -3.18 4.02 0.52 7.02 4.22 -1.21 -1.20 114.94 125.13 1c57 s ASN 216 Ca 0.29 2.50 0.17 0.00 -2.14 0.00 0.00 52.86 53.68 1c57 s ASN 216 Cb -0.00 -2.60 1.30 0.00 1.28 0.00 0.00 41.25 41.23 1c57 s ASN 216 CO 0.17 -2.39 2.15 0.16 -2.04 0.00 0.00 177.10 175.16 1c57 h ILE 217 N -0.25 0.97 -0.51 0.54 3.07 -1.86 -2.63 117.51 116.85 1c57 h ILE 217 Ca -0.48 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.93 1c57 h ILE 217 Cb 1.32 1.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.86 1c57 h ILE 217 CO 0.49 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 176.69 1c57 n ASP 218 N -4.50 4.94 -4.74 2.16 5.75 -1.26 -4.81 116.55 114.09 1c57 n ASP 218 Ca -0.03 -2.73 -0.41 0.00 -0.01 0.00 0.00 54.79 51.61 1c57 n ASP 218 Cb 0.10 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 39.55 1c57 n ASP 218 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1c57 n SER 219 N 0.61 3.22 -4.20 -1.12 2.88 -0.99 -5.03 113.62 108.99 1c57 n SER 219 Ca 0.24 1.18 -0.12 0.00 -1.33 0.00 0.00 58.87 58.84 1c57 n SER 219 Cb 1.02 -1.56 -0.10 0.00 -0.75 0.00 0.00 64.21 62.82 1c57 n SER 219 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1c57 s SER 220 N -0.31 0.77 0.03 -3.46 1.04 -1.26 -5.09 113.70 105.42 1c57 s SER 220 Ca 0.56 -1.19 -0.30 0.00 0.48 0.00 0.00 55.95 55.50 1c57 s SER 220 Cb -0.50 0.21 -0.07 0.00 0.10 0.00 0.00 66.02 65.75 1c57 s SER 220 CO 0.61 -0.65 1.64 -0.63 0.98 0.00 0.00 173.24 175.20 1c57 s ILE 221 N -3.85 3.26 0.51 -1.02 1.01 -1.26 -4.97 121.20 114.88 1c57 s ILE 221 Ca 0.24 0.59 -0.21 0.00 0.00 0.00 0.00 60.65 61.26 1c57 s ILE 221 Cb 0.07 -3.38 -0.06 0.00 0.01 0.00 0.00 42.46 39.10 1c57 s ILE 221 CO 0.03 -0.02 1.20 -2.84 0.00 0.00 0.00 174.94 173.31 1c57 s PRO 222 N 3.11 3.47 0.31 2.79 0.02 -1.26 -4.95 135.00 138.49 1c57 s PRO 222 Ca 0.74 1.83 -0.29 0.00 0.02 0.00 0.00 61.00 63.29 1c57 s PRO 222 Cb -0.37 -2.24 -0.11 0.00 0.02 0.00 0.00 34.50 31.80 1c57 s PRO 222 CO 0.31 -0.80 1.52 -1.12 -0.33 0.00 0.00 177.00 176.58 1c57 s SER 223 N -1.40 6.44 -1.09 2.53 0.01 -1.26 -2.81 113.70 116.11 1c57 s SER 223 Ca 0.69 2.91 0.00 0.00 1.31 0.00 0.00 55.95 60.85 1c57 s SER 223 Cb -0.30 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.29 1c57 s SER 223 CO 0.35 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.77 1c57 n GLY 224 N 1.61 -0.00 2.00 3.44 0.00 -1.26 -4.84 105.19 106.14 1c57 n GLY 224 Ca 0.05 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 1c57 n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1c57 n SER 225 N -0.35 4.81 -4.17 1.61 3.41 -1.12 -4.93 113.62 112.88 1c57 n SER 225 Ca -0.15 -3.19 -0.30 0.00 -0.26 0.00 0.00 58.87 54.98 1c57 n SER 225 Cb 0.59 -0.75 0.19 0.00 -0.26 0.00 0.00 64.21 63.99 1c57 n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1c57 s THR 226 N -2.93 1.86 0.00 6.66 -4.23 -1.26 -0.30 115.64 115.44 1c57 s THR 226 Ca 0.54 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1c57 s THR 226 Cb 0.43 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.51 1c57 s THR 226 CO 0.13 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 1c57 n GLY 227 N -2.43 2.82 0.21 3.99 0.00 -0.29 -3.24 105.19 106.25 1c57 n GLY 227 Ca 0.13 -0.28 0.15 0.00 0.00 0.00 0.00 46.02 46.01 1c57 n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1c57 h ARG 228 N 0.00 0.00 -0.01 1.61 0.11 -1.89 -2.69 114.38 111.51 1c57 h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1c57 h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1c57 h ARG 228 CO 0.00 0.00 -0.05 1.28 0.10 0.00 0.00 179.97 181.30 1c57 n LEU 229 N -2.53 0.85 -1.51 0.08 4.77 -1.20 -4.95 117.00 112.51 1c57 n LEU 229 Ca -0.01 -0.24 -0.16 0.00 -0.03 0.00 0.00 56.01 55.57 1c57 n LEU 229 Cb 0.10 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1c57 n LEU 229 CO 0.15 0.15 -0.15 0.18 -1.33 0.00 0.00 177.39 176.39 1c57 n LEU 230 N -0.45 -1.16 -0.41 2.23 4.77 -1.02 -1.51 117.00 119.45 1c57 n LEU 230 Ca 0.18 0.38 -0.05 0.00 -0.03 0.00 0.00 56.01 56.49 1c57 n LEU 230 Cb 0.28 -2.29 -0.02 0.00 -2.33 0.00 0.00 43.42 39.05 1c57 n LEU 230 CO 0.19 -0.79 -0.05 0.61 -1.33 0.00 0.00 177.39 176.02 1c57 n GLY 231 N -0.32 0.73 0.03 -0.72 0.00 0.59 -4.00 105.19 101.50 1c57 n GLY 231 Ca -0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 1c57 n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c57 n LEU 232 N -0.61 1.75 -4.41 0.99 4.77 -0.57 -4.47 117.00 114.46 1c57 n LEU 232 Ca -0.05 -0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.61 1c57 n LEU 232 Cb 0.30 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.18 1c57 n LEU 232 CO 0.08 0.41 -0.54 -0.36 -1.33 0.00 0.00 177.39 175.65 1c57 s PHE 233 N -2.12 2.42 -0.25 -1.77 0.08 -1.14 -4.81 117.98 110.38 1c57 s PHE 233 Ca -0.06 -0.34 0.27 0.00 0.12 0.00 0.00 56.93 56.92 1c57 s PHE 233 Cb 0.02 -1.37 0.80 0.00 -0.57 0.00 0.00 43.02 41.89 1c57 s PHE 233 CO 0.17 0.25 1.77 -1.00 -0.10 0.00 0.00 175.22 176.31 1c57 h PRO 234 N 4.36 0.00 0.00 0.24 0.13 -1.92 -3.41 132.00 131.40 1c57 h PRO 234 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1c57 h PRO 234 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1c57 h PRO 234 CO 0.44 0.00 0.20 -0.40 -0.23 0.00 0.00 178.00 178.01 1c57 n ASP 235 N -3.00 -1.75 -2.04 1.44 5.68 -1.26 -4.89 116.55 110.74 1c57 n ASP 235 Ca 0.03 -2.25 -0.08 0.00 -0.50 0.00 0.00 54.79 51.99 1c57 n ASP 235 Cb 0.42 2.92 0.30 0.00 -1.14 0.00 0.00 41.12 43.63 1c57 n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1c57 n ALA 236 N -1.12 4.69 1.78 2.12 0.00 -1.26 -4.71 120.51 122.02 1c57 n ALA 236 Ca -0.13 -2.40 0.14 0.00 0.00 0.00 0.00 53.44 51.05 1c57 n ALA 236 Cb 0.46 -1.27 0.84 0.00 0.00 0.00 0.00 19.45 19.49 1c57 n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59