#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfe s ILE 2 N 0.00 3.61 -0.09 0.53 1.01 -1.26 -4.98 121.20 120.02 3cfe s ILE 2 Ca 0.00 1.04 -0.22 0.00 0.00 0.00 0.00 60.65 61.46 3cfe s ILE 2 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 3cfe s ILE 2 CO 0.00 0.01 0.65 -1.58 0.00 0.00 0.00 174.94 174.02 3cfe s GLN 3 N 2.19 4.39 -0.02 2.79 0.74 -1.26 -4.73 119.66 123.76 3cfe s GLN 3 Ca 0.65 0.77 0.00 0.00 0.05 0.00 0.00 55.36 56.82 3cfe s GLN 3 Cb -0.33 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 30.29 3cfe s GLN 3 CO 0.28 0.05 0.02 -1.64 -0.55 0.00 0.00 175.29 173.44 3cfe s MET 4 N 0.90 2.89 -0.06 1.67 -1.94 -1.26 -0.65 119.30 120.84 3cfe s MET 4 Ca 0.34 -0.54 -0.02 0.00 -1.71 0.00 0.00 55.69 53.77 3cfe s MET 4 Cb -0.17 -2.74 0.03 0.00 2.01 0.00 0.00 34.83 33.97 3cfe s MET 4 CO 0.16 0.65 0.04 0.99 -0.01 0.00 0.00 175.02 176.85 3cfe s THR 5 N -1.06 0.07 -0.49 2.05 2.01 -0.03 -4.47 115.64 113.73 3cfe s THR 5 Ca 0.19 0.25 -0.07 0.00 0.31 0.00 0.00 61.69 62.37 3cfe s THR 5 Cb -0.12 -0.33 0.13 0.00 0.01 0.00 0.00 72.50 72.19 3cfe s THR 5 CO 0.09 0.16 0.34 -1.10 -0.69 0.00 0.00 174.62 173.42 3cfe s GLN 6 N 2.09 2.43 0.64 4.92 -0.21 -1.26 -1.53 119.66 126.74 3cfe s GLN 6 Ca 0.05 -1.89 0.38 0.00 0.02 0.00 0.00 55.36 53.92 3cfe s GLN 6 Cb -0.13 -3.85 2.16 0.00 1.00 0.00 0.00 33.01 32.19 3cfe s GLN 6 CO -0.04 -1.17 2.30 1.79 -2.12 0.00 0.00 175.29 176.05 3cfe h THR 7 N 6.03 0.21 -3.31 -0.19 1.35 -1.95 -3.38 112.91 111.68 3cfe h THR 7 Ca -0.16 0.00 -0.64 0.00 -0.55 0.00 0.00 66.41 65.06 3cfe h THR 7 Cb 1.05 0.98 -0.19 0.00 -1.73 0.00 0.00 68.15 68.26 3cfe h THR 7 CO 0.80 0.00 -0.64 -0.89 -0.25 0.00 0.00 175.52 174.55 3cfe s THR 8 N -4.34 4.16 -0.28 6.82 2.01 -1.26 -4.96 115.64 117.79 3cfe s THR 8 Ca -0.05 -0.27 0.11 0.00 0.31 0.00 0.00 61.69 61.80 3cfe s THR 8 Cb 0.14 -2.82 -0.15 0.00 0.01 0.00 0.00 72.50 69.67 3cfe s THR 8 CO 0.46 0.50 0.37 -1.54 -0.69 0.00 0.00 174.62 173.72 3cfe n SER 9 N 3.31 1.43 -4.14 3.53 3.41 -1.26 -4.35 113.62 115.56 3cfe n SER 9 Ca -0.17 -0.39 -0.25 0.00 -0.26 0.00 0.00 58.87 57.79 3cfe n SER 9 Cb 0.53 1.26 -0.16 0.00 -0.26 0.00 0.00 64.21 65.58 3cfe n SER 9 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3cfe s SER 10 N -2.68 2.09 -0.12 4.04 0.01 -1.26 -0.42 113.70 115.35 3cfe s SER 10 Ca 0.00 -0.34 -0.08 0.00 1.31 0.00 0.00 55.95 56.85 3cfe s SER 10 Cb 0.08 -0.48 0.04 0.00 0.21 0.00 0.00 66.02 65.88 3cfe s SER 10 CO 0.47 0.17 0.30 -0.22 0.41 0.00 0.00 173.24 174.37 3cfe s LEU 11 N -0.09 0.42 -0.04 2.44 2.96 -0.27 -4.94 118.68 119.15 3cfe s LEU 11 Ca -0.01 0.64 0.01 0.00 -0.22 0.00 0.00 54.13 54.55 3cfe s LEU 11 Cb -0.10 0.97 0.02 0.00 0.50 0.00 0.00 46.19 47.59 3cfe s LEU 11 CO 0.01 -0.15 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.31 3cfe s SER 12 N 0.97 0.87 0.13 3.68 0.15 -1.26 0.02 113.70 118.26 3cfe s SER 12 Ca -0.07 -0.09 -0.14 0.00 0.70 0.00 0.00 55.95 56.35 3cfe s SER 12 Cb -0.07 -0.38 0.02 0.00 -1.71 0.00 0.00 66.02 63.88 3cfe s SER 12 CO -0.07 -0.08 0.37 0.00 1.20 0.00 0.00 173.24 174.66 3cfe s ALA 13 N 1.06 -0.73 0.61 5.45 0.00 -0.86 -4.93 121.76 122.36 3cfe s ALA 13 Ca -0.09 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 3cfe s ALA 13 Cb -0.14 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 3cfe s ALA 13 CO -0.01 -0.64 1.02 -1.12 0.00 0.00 0.00 175.76 175.01 3cfe s SER 14 N -2.84 6.26 0.63 0.00 0.01 -1.26 0.41 113.70 116.91 3cfe s SER 14 Ca 0.05 1.41 -0.19 0.00 1.31 0.00 0.00 55.95 58.54 3cfe s SER 14 Cb 0.02 -2.46 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 3cfe s SER 14 CO -0.10 -0.84 1.30 -0.76 0.41 0.00 0.00 173.24 173.25 3cfe s LEU 15 N -5.09 3.62 0.00 2.44 1.43 -1.26 -2.20 118.68 117.61 3cfe s LEU 15 Ca 0.55 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 56.28 3cfe s LEU 15 Cb -0.11 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.54 3cfe s LEU 15 CO 0.52 -1.93 0.00 0.61 0.23 0.00 0.00 176.35 175.78 3cfe n GLY 16 N 0.86 3.05 3.68 -3.19 0.00 -0.60 -4.81 105.19 104.17 3cfe n GLY 16 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3cfe n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cfe s ASP 17 N -1.14 2.81 -0.05 1.61 1.11 -0.94 -3.43 116.67 116.65 3cfe s ASP 17 Ca 0.00 1.34 -0.01 0.00 0.18 0.00 0.00 52.55 54.06 3cfe s ASP 17 Cb 0.00 -2.01 -0.03 0.00 1.07 0.00 0.00 42.92 41.94 3cfe s ASP 17 CO 0.00 -3.03 0.02 -0.60 1.18 0.00 0.00 175.17 172.74 3cfe s ARG 18 N -4.91 2.97 -0.01 8.23 3.52 -1.26 -1.92 118.95 125.56 3cfe s ARG 18 Ca 0.65 -0.46 -0.02 0.00 -0.13 0.00 0.00 55.73 55.77 3cfe s ARG 18 Cb -0.19 -2.79 0.00 0.00 -1.56 0.00 0.00 34.95 30.41 3cfe s ARG 18 CO 0.58 0.68 0.05 0.08 -0.81 0.00 0.00 175.30 175.88 3cfe s VAL 19 N -0.99 0.02 -0.09 7.11 1.01 0.72 -4.98 120.40 123.20 3cfe s VAL 19 Ca 0.16 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3cfe s VAL 19 Cb -0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 3cfe s VAL 19 CO 0.06 -0.11 -0.17 -0.89 0.00 0.00 0.00 175.10 173.99 3cfe s THR 20 N -0.31 2.75 -0.12 3.92 2.01 -1.26 -1.81 115.64 120.81 3cfe s THR 20 Ca -0.04 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.16 3cfe s THR 20 Cb -0.02 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 3cfe s THR 20 CO 0.00 0.56 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.73 3cfe s ILE 21 N -0.07 3.10 0.12 1.82 1.01 -0.23 -4.98 121.20 121.97 3cfe s ILE 21 Ca -0.04 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.02 3cfe s ILE 21 Cb -0.14 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 3cfe s ILE 21 CO 0.04 0.53 -0.03 -0.94 0.00 0.00 0.00 174.94 174.54 3cfe s SER 22 N 0.21 4.76 -0.01 3.58 1.04 -1.26 -0.18 113.70 121.83 3cfe s SER 22 Ca -0.08 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.05 3cfe s SER 22 Cb -0.15 -1.04 0.02 0.00 0.10 0.00 0.00 66.02 64.95 3cfe s SER 22 CO 0.05 0.15 0.01 0.00 0.98 0.00 0.00 173.24 174.44 3cfe s ARG 24 N 0.55 1.06 -0.05 0.00 3.52 -0.59 -0.22 118.95 123.21 3cfe s ARG 24 Ca -0.05 -0.40 0.01 0.00 -0.13 0.00 0.00 55.73 55.16 3cfe s ARG 24 Cb -0.07 -0.99 -0.03 0.00 -1.56 0.00 0.00 34.95 32.30 3cfe s ARG 24 CO -0.02 0.20 -0.05 0.00 -0.81 0.00 0.00 175.30 174.63 3cfe s ALA 25 N -0.07 3.06 0.60 6.12 0.00 0.15 -0.85 121.76 130.76 3cfe s ALA 25 Ca 0.01 -0.91 0.30 0.00 0.00 0.00 0.00 51.96 51.37 3cfe s ALA 25 Cb -0.07 -1.26 1.78 0.00 0.00 0.00 0.00 23.12 23.57 3cfe s ALA 25 CO 0.00 0.59 2.17 0.66 0.00 0.00 0.00 175.76 179.18 3cfe h SER 26 N 5.02 0.00 -5.19 0.00 4.64 -1.22 -3.44 113.55 113.37 3cfe h SER 26 Ca -0.49 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.75 3cfe h SER 26 Cb 1.17 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.14 3cfe h SER 26 CO 0.53 0.00 -0.23 0.00 -0.87 0.00 0.00 176.83 176.27 3cfe s GLN 27 N -4.57 1.14 -0.06 4.77 -2.07 -1.26 -4.97 119.66 112.63 3cfe s GLN 27 Ca -0.05 -1.02 -0.38 0.00 -1.82 0.00 0.00 55.36 52.09 3cfe s GLN 27 Cb 0.15 0.41 -0.16 0.00 -1.09 0.00 0.00 33.01 32.32 3cfe s GLN 27 CO 0.52 -0.43 1.54 -3.47 -1.32 0.00 0.00 175.29 172.14 3cfe n ASP 28 N -0.22 2.12 -0.01 12.60 -0.08 -1.26 -4.69 116.55 125.02 3cfe n ASP 28 Ca -0.10 1.09 0.01 0.00 -1.51 0.00 0.00 54.79 54.28 3cfe n ASP 28 Cb 0.63 -1.20 0.02 0.00 2.34 0.00 0.00 41.12 42.91 3cfe n ASP 28 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3cfe n ILE 29 N 3.53 1.04 -3.96 5.18 -5.35 -1.05 -4.98 119.36 113.76 3cfe n ILE 29 Ca 0.22 -1.08 -0.30 0.00 -0.27 0.00 0.00 62.75 61.31 3cfe n ILE 29 Cb 0.18 0.44 0.01 0.00 -1.74 0.00 0.00 39.64 38.53 3cfe n ILE 29 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3cfe n SER 30 N -0.58 -3.83 0.00 7.28 7.64 -1.25 -2.21 113.62 120.66 3cfe n SER 30 Ca 0.02 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.06 3cfe n SER 30 Cb 0.32 -3.63 0.00 0.00 -1.01 0.00 0.00 64.21 59.89 3cfe n SER 30 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3cfe n ASN 31 N -2.83 0.00 -4.40 6.43 4.13 -1.26 -4.92 115.26 112.41 3cfe n ASN 31 Ca -0.01 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.91 3cfe n ASN 31 Cb 0.55 -0.23 -0.05 0.00 -1.54 0.00 0.00 39.78 38.51 3cfe n ASN 31 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3cfe n TYR 32 N -2.00 3.01 -4.43 3.10 4.01 -0.94 -1.22 117.16 118.69 3cfe n TYR 32 Ca 0.00 -1.84 -0.22 0.00 -0.16 0.00 0.00 57.90 55.68 3cfe n TYR 32 Cb 0.00 -2.48 -0.16 0.00 -0.31 0.00 0.00 39.34 36.39 3cfe n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3cfe s LEU 33 N 7.86 1.67 0.21 7.72 2.96 -1.26 -1.74 118.68 136.10 3cfe s LEU 33 Ca 0.63 -0.22 0.11 0.00 -0.22 0.00 0.00 54.13 54.43 3cfe s LEU 33 Cb 0.03 -0.64 -0.04 0.00 0.50 0.00 0.00 46.19 46.04 3cfe s LEU 33 CO 0.11 0.04 -0.18 0.20 -1.32 0.00 0.00 176.35 175.20 3cfe s ASN 34 N 0.45 3.74 -0.06 3.68 0.01 0.11 -0.74 114.94 122.13 3cfe s ASN 34 Ca -0.08 -0.80 0.03 0.00 -0.71 0.00 0.00 52.86 51.29 3cfe s ASN 34 Cb -0.12 -0.42 0.01 0.00 0.41 0.00 0.00 41.25 41.13 3cfe s ASN 34 CO 0.01 0.10 -0.13 0.26 -1.51 0.00 0.00 177.10 175.83 3cfe s TRP 35 N -1.86 1.48 0.03 2.20 0.52 0.47 0.23 118.94 122.01 3cfe s TRP 35 Ca 0.24 -0.52 0.08 0.00 0.02 0.00 0.00 56.10 55.92 3cfe s TRP 35 Cb -0.08 -1.07 -0.03 0.00 -1.15 0.00 0.00 33.47 31.15 3cfe s TRP 35 CO 0.13 -0.25 -0.24 0.71 0.02 0.00 0.00 176.95 177.32 3cfe s TYR 36 N 0.54 2.40 -0.20 -1.98 2.02 0.21 0.56 117.35 120.90 3cfe s TYR 36 Ca -0.13 -0.37 -0.06 0.00 -0.37 0.00 0.00 57.07 56.15 3cfe s TYR 36 Cb -0.15 -1.44 -0.03 0.00 -0.40 0.00 0.00 41.96 39.94 3cfe s TYR 36 CO 0.03 0.13 0.01 -1.14 -1.57 0.00 0.00 175.55 173.01 3cfe s GLN 37 N -1.13 3.67 -0.21 -0.62 0.74 0.21 -0.82 119.66 121.50 3cfe s GLN 37 Ca 0.12 -0.49 -0.04 0.00 0.05 0.00 0.00 55.36 54.99 3cfe s GLN 37 Cb -0.10 -3.11 -0.02 0.00 1.10 0.00 0.00 33.01 30.88 3cfe s GLN 37 CO 0.02 0.04 -0.02 -1.14 -0.55 0.00 0.00 175.29 173.64 3cfe s GLN 38 N 0.95 3.49 0.61 1.67 0.74 -0.28 -0.65 119.66 126.19 3cfe s GLN 38 Ca 0.02 -0.58 -0.11 0.00 0.05 0.00 0.00 55.36 54.75 3cfe s GLN 38 Cb -0.14 -3.05 -0.04 0.00 1.10 0.00 0.00 33.01 30.88 3cfe s GLN 38 CO 0.02 -0.11 1.01 0.15 -0.55 0.00 0.00 175.29 175.81 3cfe s LYS 39 N 1.29 3.58 0.40 1.67 -0.14 -0.42 -1.31 119.74 124.81 3cfe s LYS 39 Ca 0.04 0.71 0.11 0.00 -1.36 0.00 0.00 55.97 55.46 3cfe s LYS 39 Cb -0.14 -2.10 0.92 0.00 -1.68 0.00 0.00 37.83 34.83 3cfe s LYS 39 CO -0.00 -0.55 1.95 -1.35 -0.76 0.00 0.00 175.35 174.63 3cfe h PRO 40 N -0.29 0.53 0.00 -1.68 0.11 -1.90 1.13 132.00 129.91 3cfe h PRO 40 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3cfe h PRO 40 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3cfe h PRO 40 CO 0.62 0.35 0.00 -0.40 -0.21 0.00 0.00 178.00 178.36 3cfe n ASP 41 N -4.49 0.00 0.00 -2.05 5.75 -1.26 -4.84 116.55 109.66 3cfe n ASP 41 Ca 0.12 0.20 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 3cfe n ASP 41 Cb 0.37 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 3cfe n ASP 41 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cfe n GLY 42 N -0.40 0.75 3.78 6.12 0.00 0.39 -5.04 105.19 110.78 3cfe n GLY 42 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3cfe n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cfe s THR 43 N -2.39 3.60 -0.04 2.61 -4.23 -1.26 -4.80 115.64 109.13 3cfe s THR 43 Ca 0.00 1.28 0.05 0.00 -1.18 0.00 0.00 61.69 61.84 3cfe s THR 43 Cb 0.00 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.14 3cfe s THR 43 CO 0.00 0.06 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.24 3cfe s VAL 44 N -1.56 1.70 -0.01 2.29 1.01 -1.26 -1.30 120.40 121.27 3cfe s VAL 44 Ca 0.56 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.67 3cfe s VAL 44 Cb -0.25 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.70 3cfe s VAL 44 CO 0.31 0.48 -0.02 -0.54 0.00 0.00 0.00 175.10 175.32 3cfe s LYS 45 N -0.16 0.25 0.13 2.72 1.02 0.17 -4.97 119.74 118.90 3cfe s LYS 45 Ca -0.01 -0.07 -0.30 0.00 0.02 0.00 0.00 55.97 55.61 3cfe s LYS 45 Cb -0.11 -0.27 -0.06 0.00 -0.52 0.00 0.00 37.83 36.86 3cfe s LYS 45 CO 0.02 0.03 0.97 -1.17 -0.92 0.00 0.00 175.35 174.28 3cfe s LEU 46 N 0.13 4.52 -0.16 3.17 2.96 -1.26 0.64 118.68 128.68 3cfe s LEU 46 Ca -0.01 1.84 -0.13 0.00 -0.22 0.00 0.00 54.13 55.61 3cfe s LEU 46 Cb -0.03 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 43.00 3cfe s LEU 46 CO -0.00 -0.05 -0.28 0.18 -1.32 0.00 0.00 176.35 174.87 3cfe n LEU 47 N 2.59 1.70 -3.93 -0.68 4.77 0.19 -4.79 117.00 116.85 3cfe n LEU 47 Ca 0.02 0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 56.15 3cfe n LEU 47 Cb 0.49 -0.66 -0.14 0.00 -2.33 0.00 0.00 43.42 40.78 3cfe n LEU 47 CO 0.51 -0.07 -0.38 -0.63 -1.33 0.00 0.00 177.39 175.49 3cfe s ILE 48 N -2.61 0.22 0.19 -0.08 1.01 -1.14 -1.84 121.20 116.94 3cfe s ILE 48 Ca -0.26 -0.25 0.09 0.00 0.00 0.00 0.00 60.65 60.24 3cfe s ILE 48 Cb 0.06 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.27 3cfe s ILE 48 CO 0.36 -0.02 -0.19 -0.72 0.00 0.00 0.00 174.94 174.37 3cfe s TYR 49 N -0.27 1.96 -0.99 3.97 1.13 0.21 -0.39 117.35 122.96 3cfe s TYR 49 Ca -0.01 -0.44 -0.11 0.00 -1.41 0.00 0.00 57.07 55.10 3cfe s TYR 49 Cb -0.02 -0.95 -0.02 0.00 -1.10 0.00 0.00 41.96 39.87 3cfe s TYR 49 CO -0.00 0.41 0.77 0.98 -2.51 0.00 0.00 175.55 175.21 3cfe n TYR 50 N 0.11 -2.27 0.00 -3.49 9.36 0.08 -0.75 117.16 120.20 3cfe n TYR 50 Ca -0.12 0.73 0.00 0.00 3.32 0.00 0.00 57.90 61.83 3cfe n TYR 50 Cb 0.57 -3.63 0.00 0.00 -0.63 0.00 0.00 39.34 35.65 3cfe n TYR 50 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 3cfe n THR 51 N -3.27 0.00 0.00 2.97 -1.04 0.01 -3.77 114.28 109.18 3cfe n THR 51 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 3cfe n THR 51 Cb 0.59 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 3cfe n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3cfe n SER 52 N 0.38 0.77 -4.72 8.00 3.41 -1.21 -3.90 113.62 116.34 3cfe n SER 52 Ca 0.00 -0.32 -0.42 0.00 -0.26 0.00 0.00 58.87 57.87 3cfe n SER 52 Cb 0.00 0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 64.71 3cfe n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3cfe s ARG 53 N -0.95 4.50 -0.14 4.33 0.52 0.07 -4.46 118.95 122.83 3cfe s ARG 53 Ca 0.00 1.73 -0.29 0.00 -0.52 0.00 0.00 55.73 56.64 3cfe s ARG 53 Cb 0.00 -3.33 -0.01 0.00 0.52 0.00 0.00 34.95 32.14 3cfe s ARG 53 CO 0.00 -0.12 1.03 -0.51 0.02 0.00 0.00 175.30 175.72 3cfe s LEU 54 N 0.50 4.20 0.33 2.53 1.02 -1.26 0.64 118.68 126.64 3cfe s LEU 54 Ca 0.55 1.50 -0.29 0.00 0.02 0.00 0.00 54.13 55.91 3cfe s LEU 54 Cb -0.29 -3.55 -0.11 0.00 0.02 0.00 0.00 46.19 42.26 3cfe s LEU 54 CO 0.31 -0.53 1.54 -2.28 0.02 0.00 0.00 176.35 175.42 3cfe s HIS 55 N 2.41 2.69 -0.37 0.29 5.65 -0.76 -4.89 115.29 120.31 3cfe s HIS 55 Ca 0.47 0.95 -0.43 0.00 0.25 0.00 0.00 55.06 56.30 3cfe s HIS 55 Cb -0.18 -4.04 -0.19 0.00 -1.18 0.00 0.00 32.58 26.99 3cfe s HIS 55 CO 0.14 -3.32 1.40 0.45 -0.65 0.00 0.00 174.74 172.77 3cfe n SER 56 N 1.46 0.89 0.00 9.88 2.88 -1.26 -1.97 113.62 125.49 3cfe n SER 56 Ca 0.05 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 3cfe n SER 56 Cb 0.38 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 3cfe n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cfe n GLY 57 N 3.26 2.81 3.67 0.46 0.00 -1.26 -5.07 105.19 109.06 3cfe n GLY 57 Ca 0.27 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 3cfe n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cfe s VAL 58 N -0.92 3.26 0.18 1.61 1.01 -0.83 -4.95 120.40 119.75 3cfe s VAL 58 Ca 0.00 0.47 -0.33 0.00 0.00 0.00 0.00 61.98 62.12 3cfe s VAL 58 Cb 0.00 -3.30 -0.16 0.00 0.00 0.00 0.00 36.38 32.92 3cfe s VAL 58 CO 0.00 -0.03 1.16 -2.65 0.00 0.00 0.00 175.10 173.58 3cfe n PRO 59 N 6.72 1.17 0.25 2.72 -0.02 -1.26 -4.87 135.00 139.71 3cfe n PRO 59 Ca 0.17 0.42 0.18 0.00 -2.02 0.00 0.00 63.50 62.25 3cfe n PRO 59 Cb 0.42 -1.91 0.90 0.00 -0.02 0.00 0.00 33.50 32.88 3cfe n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3cfe h SER 60 N 3.33 0.00 0.02 2.55 4.64 -1.99 -0.13 113.55 121.96 3cfe h SER 60 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3cfe h SER 60 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3cfe h SER 60 CO 0.70 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.55 3cfe n ARG 61 N -3.50 0.04 -3.72 4.77 1.85 -1.26 -4.39 116.66 110.46 3cfe n ARG 61 Ca 0.00 0.15 -0.36 0.00 -1.00 0.00 0.00 57.85 56.64 3cfe n ARG 61 Cb 0.30 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.13 3cfe n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3cfe s PHE 62 N -2.32 3.49 0.01 2.89 0.08 -0.06 -1.67 117.98 120.39 3cfe s PHE 62 Ca 0.02 0.48 -0.24 0.00 0.12 0.00 0.00 56.93 57.32 3cfe s PHE 62 Cb 0.01 -2.14 0.05 0.00 -0.57 0.00 0.00 43.02 40.37 3cfe s PHE 62 CO 0.03 0.43 0.53 -1.54 -0.10 0.00 0.00 175.22 174.56 3cfe s SER 63 N -0.09 -0.46 0.08 1.36 1.04 -0.42 -4.96 113.70 110.25 3cfe s SER 63 Ca 0.13 0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.90 3cfe s SER 63 Cb -0.12 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 3cfe s SER 63 CO 0.02 -0.64 -0.09 -0.83 0.98 0.00 0.00 173.24 172.68 3cfe s GLY 64 N -1.63 0.74 0.06 7.32 0.00 -1.26 0.10 107.32 112.65 3cfe s GLY 64 Ca -0.08 -1.14 -0.06 0.00 0.00 0.00 0.00 44.72 43.44 3cfe s GLY 64 CO 0.03 -1.22 0.11 -1.35 0.00 0.00 0.00 173.10 170.67 3cfe s SER 65 N -2.42 0.20 0.00 1.64 1.04 -0.23 -4.23 113.70 109.70 3cfe s SER 65 Ca 0.04 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.84 3cfe s SER 65 Cb -0.02 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.36 3cfe s SER 65 CO -0.01 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.22 3cfe n GLY 66 N 0.40 3.68 3.44 7.32 0.00 -1.26 -0.95 105.19 117.82 3cfe n GLY 66 Ca -0.17 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 3cfe n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cfe s SER 67 N 0.00 -0.02 1.54 1.61 1.04 -0.85 -4.86 113.70 112.15 3cfe s SER 67 Ca 0.00 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.50 3cfe s SER 67 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3cfe s SER 67 CO 0.00 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.83 3cfe n GLY 68 N -0.30 2.18 0.03 7.32 0.00 -1.26 -1.16 105.19 111.99 3cfe n GLY 68 Ca -0.04 0.38 0.11 0.00 0.00 0.00 0.00 46.02 46.47 3cfe n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cfe n THR 69 N 0.00 0.14 -4.48 2.61 -2.24 -1.26 -2.54 114.28 106.50 3cfe n THR 69 Ca 0.00 -0.39 -0.34 0.00 -2.27 0.00 0.00 64.05 61.06 3cfe n THR 69 Cb 0.00 0.12 -0.12 0.00 -2.10 0.00 0.00 70.33 68.22 3cfe n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3cfe s ASP 70 N -4.33 4.65 0.04 3.42 1.01 -0.31 -0.68 116.67 120.47 3cfe s ASP 70 Ca -0.02 -0.16 -0.04 0.00 0.71 0.00 0.00 52.55 53.03 3cfe s ASP 70 Cb 0.14 -1.73 -0.02 0.00 1.01 0.00 0.00 42.92 42.32 3cfe s ASP 70 CO 0.86 0.18 0.07 -0.31 0.21 0.00 0.00 175.17 176.18 3cfe s TYR 71 N 0.30 0.26 -0.02 4.23 1.51 0.69 -2.01 117.35 122.31 3cfe s TYR 71 Ca -0.05 -0.61 -0.01 0.00 -1.01 0.00 0.00 57.07 55.39 3cfe s TYR 71 Cb -0.14 -0.18 0.01 0.00 -0.11 0.00 0.00 41.96 41.53 3cfe s TYR 71 CO 0.03 -0.36 0.05 -1.54 -1.11 0.00 0.00 175.55 172.62 3cfe s SER 72 N -2.25 -0.03 0.00 2.29 1.04 -0.12 0.42 113.70 115.06 3cfe s SER 72 Ca -0.03 0.09 -0.14 0.00 0.48 0.00 0.00 55.95 56.34 3cfe s SER 72 Cb -0.00 0.07 -0.06 0.00 0.10 0.00 0.00 66.02 66.13 3cfe s SER 72 CO -0.06 -0.04 0.40 -0.22 0.98 0.00 0.00 173.24 174.30 3cfe s LEU 73 N 0.26 4.47 -0.17 2.42 2.96 0.74 -1.07 118.68 128.29 3cfe s LEU 73 Ca -0.02 0.94 -0.00 0.00 -0.22 0.00 0.00 54.13 54.83 3cfe s LEU 73 Cb -0.03 -2.59 0.04 0.00 0.50 0.00 0.00 46.19 44.11 3cfe s LEU 73 CO -0.01 0.32 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.39 3cfe s THR 74 N -1.09 1.22 -0.23 3.68 2.01 0.28 -1.06 115.64 120.44 3cfe s THR 74 Ca 0.24 -0.70 -0.08 0.00 0.31 0.00 0.00 61.69 61.46 3cfe s THR 74 Cb -0.16 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 3cfe s THR 74 CO 0.13 0.14 0.10 -0.63 -0.69 0.00 0.00 174.62 173.67 3cfe s ILE 75 N 1.59 4.72 0.48 1.82 1.01 -0.75 -1.30 121.20 128.77 3cfe s ILE 75 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.64 3cfe s ILE 75 Cb -0.15 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 3cfe s ILE 75 CO -0.08 0.36 0.01 -0.94 0.00 0.00 0.00 174.94 174.28 3cfe s SER 76 N 1.24 4.05 -0.85 3.58 1.04 -0.67 -0.20 113.70 121.89 3cfe s SER 76 Ca 0.05 -1.58 -0.13 0.00 0.48 0.00 0.00 55.95 54.77 3cfe s SER 76 Cb -0.14 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.28 3cfe s SER 76 CO 0.04 -0.75 0.54 -3.20 0.98 0.00 0.00 173.24 170.85 3cfe n ASN 77 N -1.19 -3.79 -4.76 7.02 2.85 -1.00 -4.75 115.26 109.65 3cfe n ASN 77 Ca -0.15 -0.96 -0.34 0.00 -0.11 0.00 0.00 54.58 53.02 3cfe n ASN 77 Cb 0.67 -1.34 0.06 0.00 1.24 0.00 0.00 39.78 40.41 3cfe n ASN 77 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 3cfe s LEU 78 N -5.67 3.40 0.03 1.20 2.96 -0.81 -4.62 118.68 115.16 3cfe s LEU 78 Ca 0.19 2.12 0.02 0.00 -0.22 0.00 0.00 54.13 56.24 3cfe s LEU 78 Cb -0.10 -4.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.00 3cfe s LEU 78 CO 0.79 -1.79 -0.07 -0.62 -1.32 0.00 0.00 176.35 173.34 3cfe s ASP 79 N -2.35 0.80 0.48 3.68 -1.08 -1.26 -1.56 116.67 115.38 3cfe s ASP 79 Ca 0.70 -0.48 0.25 0.00 -0.52 0.00 0.00 52.55 52.49 3cfe s ASP 79 Cb -0.23 0.02 1.30 0.00 -1.46 0.00 0.00 42.92 42.55 3cfe s ASP 79 CO 0.41 -0.17 1.88 1.56 0.52 0.00 0.00 175.17 179.38 3cfe h GLN 80 N 4.73 0.18 0.00 4.34 1.08 -1.94 0.18 115.11 123.67 3cfe h GLN 80 Ca -0.34 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 3cfe h GLN 80 Cb 1.20 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 3cfe h GLN 80 CO 0.42 0.12 0.00 -3.47 -0.95 0.00 0.00 178.83 174.95 3cfe n ASP 81 N -4.39 0.00 -0.47 1.46 2.03 -1.26 -3.70 116.55 110.21 3cfe n ASP 81 Ca 0.18 -0.51 0.13 0.00 0.52 0.00 0.00 54.79 55.11 3cfe n ASP 81 Cb 0.81 -0.15 0.41 0.00 -0.72 0.00 0.00 41.12 41.47 3cfe n ASP 81 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3cfe n ASP 82 N -1.15 1.58 -4.54 1.67 8.00 0.64 -4.80 116.55 117.95 3cfe n ASP 82 Ca 0.18 -1.39 -0.39 0.00 0.71 0.00 0.00 54.79 53.89 3cfe n ASP 82 Cb 0.17 0.06 -0.05 0.00 -0.02 0.00 0.00 41.12 41.28 3cfe n ASP 82 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3cfe n ILE 83 N 0.08 0.01 -3.60 0.53 5.41 -1.24 -4.84 119.36 115.72 3cfe n ILE 83 Ca 0.16 -0.60 -0.04 0.00 1.00 0.00 0.00 62.75 63.27 3cfe n ILE 83 Cb 0.39 -2.37 0.02 0.00 -0.71 0.00 0.00 39.64 36.97 3cfe n ILE 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3cfe n ALA 84 N 14.08 -1.37 -2.55 -1.39 0.00 -1.25 -4.58 120.51 123.44 3cfe n ALA 84 Ca 0.40 -0.73 -0.33 0.00 0.00 0.00 0.00 53.44 52.78 3cfe n ALA 84 Cb 0.44 0.52 -0.13 0.00 0.00 0.00 0.00 19.45 20.27 3cfe n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3cfe s THR 85 N -2.35 3.13 -0.13 0.00 2.01 -0.43 -1.40 115.64 116.47 3cfe s THR 85 Ca 0.12 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.44 3cfe s THR 85 Cb -0.03 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 3cfe s THR 85 CO 0.06 0.58 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.10 3cfe s TYR 86 N -0.62 2.74 -0.10 4.92 2.02 -0.04 -1.12 117.35 125.15 3cfe s TYR 86 Ca 0.09 -0.91 0.04 0.00 -0.37 0.00 0.00 57.07 55.91 3cfe s TYR 86 Cb -0.11 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 3cfe s TYR 86 CO 0.01 -0.37 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.34 3cfe s PHE 87 N 0.55 2.41 -0.12 2.71 0.08 -0.00 -1.67 117.98 121.92 3cfe s PHE 87 Ca -0.10 -1.00 -0.07 0.00 0.12 0.00 0.00 56.93 55.87 3cfe s PHE 87 Cb -0.16 -1.63 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 3cfe s PHE 87 CO 0.04 -0.42 0.13 0.00 -0.10 0.00 0.00 175.22 174.87 3cfe s GLN 89 N -0.98 1.62 -0.06 0.00 -0.44 0.14 -1.20 119.66 118.74 3cfe s GLN 89 Ca 0.15 -0.32 -0.30 0.00 -2.50 0.00 0.00 55.36 52.39 3cfe s GLN 89 Cb -0.12 -1.55 -0.02 0.00 -1.64 0.00 0.00 33.01 29.68 3cfe s GLN 89 CO 0.04 -0.17 1.01 1.14 0.50 0.00 0.00 175.29 177.80 3cfe s GLN 90 N 1.37 4.47 -0.36 1.67 1.03 -0.69 -0.71 119.66 126.44 3cfe s GLN 90 Ca -0.01 1.42 0.06 0.00 0.04 0.00 0.00 55.36 56.87 3cfe s GLN 90 Cb -0.14 -3.51 0.46 0.00 0.03 0.00 0.00 33.01 29.86 3cfe s GLN 90 CO -0.05 -0.22 1.36 0.41 -2.54 0.00 0.00 175.29 174.25 3cfe n GLY 91 N 3.03 6.23 0.10 2.60 0.00 -0.71 -3.47 105.19 112.97 3cfe n GLY 91 Ca 0.08 -2.52 -0.12 0.00 0.00 0.00 0.00 46.02 43.45 3cfe n GLY 91 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3cfe n THR 92 N -0.77 1.16 -4.22 2.61 5.66 -1.26 -4.92 114.28 112.54 3cfe n THR 92 Ca 0.46 -0.52 -0.13 0.00 -3.05 0.00 0.00 64.05 60.82 3cfe n THR 92 Cb 0.91 -1.04 -0.10 0.00 -1.55 0.00 0.00 70.33 68.55 3cfe n THR 92 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3cfe s THR 93 N -2.41 0.67 0.31 1.09 -4.23 -1.26 -5.15 115.64 104.67 3cfe s THR 93 Ca -0.22 -1.97 -0.13 0.00 -1.18 0.00 0.00 61.69 58.20 3cfe s THR 93 Cb 0.06 -1.99 -0.08 0.00 1.34 0.00 0.00 72.50 71.83 3cfe s THR 93 CO 0.53 -0.59 0.69 -0.76 -0.54 0.00 0.00 174.62 173.95 3cfe s LEU 94 N -3.13 4.05 0.49 4.79 1.43 -1.26 -3.59 118.68 121.45 3cfe s LEU 94 Ca 0.21 1.15 -0.21 0.00 -1.03 0.00 0.00 54.13 54.25 3cfe s LEU 94 Cb 0.06 -3.95 -0.08 0.00 0.03 0.00 0.00 46.19 42.25 3cfe s LEU 94 CO 0.01 -0.20 1.06 -2.16 0.23 0.00 0.00 176.35 175.29 3cfe s PRO 95 N -3.09 3.75 0.61 1.29 0.04 -1.26 -4.91 135.00 131.43 3cfe s PRO 95 Ca 0.52 1.44 -0.19 0.00 0.04 0.00 0.00 61.00 62.80 3cfe s PRO 95 Cb -0.10 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 3cfe s PRO 95 CO 0.21 -0.48 1.32 -2.14 0.04 0.00 0.00 177.00 175.94 3cfe s PRO 96 N -3.15 2.79 0.01 0.56 0.02 -1.24 -4.75 135.00 129.24 3cfe s PRO 96 Ca 0.67 2.13 0.02 0.00 0.02 0.00 0.00 61.00 63.84 3cfe s PRO 96 Cb -0.19 -2.01 -0.01 0.00 0.02 0.00 0.00 34.50 32.32 3cfe s PRO 96 CO 0.22 -1.43 -0.06 0.95 -0.33 0.00 0.00 177.00 176.35 3cfe s THR 97 N -1.36 0.49 0.30 0.99 -4.23 -1.23 -5.02 115.64 105.57 3cfe s THR 97 Ca 0.78 -0.44 0.09 0.00 -1.18 0.00 0.00 61.69 60.94 3cfe s THR 97 Cb -0.39 -0.44 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 3cfe s THR 97 CO 0.43 0.02 0.07 -0.36 -0.54 0.00 0.00 174.62 174.24 3cfe s PHE 98 N -0.42 2.74 0.72 3.99 0.40 -1.26 -1.70 117.98 122.46 3cfe s PHE 98 Ca -0.00 -0.28 -0.10 0.00 -0.60 0.00 0.00 56.93 55.95 3cfe s PHE 98 Cb -0.04 -1.40 0.16 0.00 0.51 0.00 0.00 43.02 42.26 3cfe s PHE 98 CO -0.00 0.50 0.99 0.41 0.70 0.00 0.00 175.22 177.81 3cfe n GLY 99 N -1.03 -0.91 0.18 4.36 0.00 -0.34 -4.44 105.19 103.01 3cfe n GLY 99 Ca -0.05 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.31 3cfe n GLY 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3cfe h GLY 100 N -1.16 0.00 0.00 -0.02 0.00 -1.89 -3.46 103.07 96.55 3cfe h GLY 100 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3cfe h GLY 100 CO 0.25 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.40 3cfe n GLY 101 N 1.18 0.75 2.99 4.60 0.00 -1.26 -5.03 105.19 108.42 3cfe n GLY 101 Ca 0.05 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 3cfe n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cfe s THR 102 N -2.70 1.47 0.22 2.61 2.01 -0.67 -4.38 115.64 114.20 3cfe s THR 102 Ca 0.00 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 3cfe s THR 102 Cb 0.00 -1.42 -0.08 0.00 0.01 0.00 0.00 72.50 71.01 3cfe s THR 102 CO 0.00 0.41 1.08 -0.54 -0.69 0.00 0.00 174.62 174.88 3cfe s LYS 103 N 1.52 4.64 -0.21 4.92 1.02 0.43 -0.86 119.74 131.21 3cfe s LYS 103 Ca 0.04 1.72 0.02 0.00 0.02 0.00 0.00 55.97 57.77 3cfe s LYS 103 Cb -0.13 -3.25 0.03 0.00 -0.52 0.00 0.00 37.83 33.96 3cfe s LYS 103 CO -0.10 0.17 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.16 3cfe s LEU 104 N -0.82 2.58 -0.15 3.17 2.96 -0.49 -1.12 118.68 124.81 3cfe s LEU 104 Ca 0.47 -0.90 -0.10 0.00 -0.22 0.00 0.00 54.13 53.38 3cfe s LEU 104 Cb -0.30 -1.51 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 3cfe s LEU 104 CO 0.37 -0.06 0.19 -0.70 -1.32 0.00 0.00 176.35 174.82 3cfe s GLU 105 N 1.23 3.93 -0.03 1.98 2.12 0.10 -3.85 118.70 124.18 3cfe s GLU 105 Ca 0.00 -0.07 -0.25 0.00 0.36 0.00 0.00 54.97 55.01 3cfe s GLU 105 Cb -0.15 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 3cfe s GLU 105 CO -0.10 0.48 0.75 0.42 -0.54 0.00 0.00 175.26 176.27 3cfe s ILE 106 N -0.20 4.93 0.93 -3.70 -1.09 -1.26 -2.02 121.20 118.78 3cfe s ILE 106 Ca 0.13 1.57 -0.11 0.00 -2.23 0.00 0.00 60.65 60.01 3cfe s ILE 106 Cb -0.12 -4.09 0.15 0.00 -1.58 0.00 0.00 42.46 36.81 3cfe s ILE 106 CO 0.02 0.28 1.09 -0.54 -1.23 0.00 0.00 174.94 174.56 3cfe s LYS 107 N 0.56 1.00 0.03 2.79 1.02 0.17 -4.88 119.74 120.43 3cfe s LYS 107 Ca 0.40 0.95 -0.27 0.00 0.02 0.00 0.00 55.97 57.06 3cfe s LYS 107 Cb -0.19 -1.77 0.09 0.00 -0.52 0.00 0.00 37.83 35.44 3cfe s LYS 107 CO 0.21 -2.45 0.75 0.50 -0.92 0.00 0.00 175.35 173.43 3cfe s ARG 108 N -4.83 1.02 0.36 1.68 3.52 -1.26 -4.64 118.95 114.80 3cfe s ARG 108 Ca 0.64 -0.19 -0.28 0.00 -0.13 0.00 0.00 55.73 55.77 3cfe s ARG 108 Cb -0.19 0.47 -0.11 0.00 -1.56 0.00 0.00 34.95 33.56 3cfe s ARG 108 CO 0.58 -0.41 1.45 0.00 -0.81 0.00 0.00 175.30 176.11 3cfe s ALA 109 N -2.70 3.56 0.64 6.12 0.00 -1.26 -4.97 121.76 123.16 3cfe s ALA 109 Ca -0.01 1.50 -0.17 0.00 0.00 0.00 0.00 51.96 53.28 3cfe s ALA 109 Cb -0.01 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 3cfe s ALA 109 CO -0.05 -0.96 0.82 -0.25 0.00 0.00 0.00 175.76 175.32 3cfe n ASP 110 N 0.57 0.09 -3.69 0.00 8.00 -1.26 -4.79 116.55 115.47 3cfe n ASP 110 Ca 0.01 0.73 -0.10 0.00 0.71 0.00 0.00 54.79 56.14 3cfe n ASP 110 Cb 0.40 -1.33 -0.11 0.00 -0.02 0.00 0.00 41.12 40.06 3cfe n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cfe s ALA 111 N -1.67 -1.07 0.22 2.24 0.00 -0.60 -4.90 121.76 115.98 3cfe s ALA 111 Ca 0.73 1.55 -0.21 0.00 0.00 0.00 0.00 51.96 54.03 3cfe s ALA 111 Cb -0.40 -0.96 -0.08 0.00 0.00 0.00 0.00 23.12 21.68 3cfe s ALA 111 CO 0.50 -0.30 0.74 0.00 0.00 0.00 0.00 175.76 176.70 3cfe s ALA 112 N 1.48 3.41 0.30 0.00 0.00 -1.26 -2.07 121.76 123.61 3cfe s ALA 112 Ca -0.09 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.78 3cfe s ALA 112 Cb -0.09 -2.85 -0.10 0.00 0.00 0.00 0.00 23.12 20.09 3cfe s ALA 112 CO -0.13 0.32 1.11 -1.25 0.00 0.00 0.00 175.76 175.81 3cfe s PRO 113 N -1.88 4.55 -0.31 0.00 0.04 -1.26 -4.66 135.00 131.49 3cfe s PRO 113 Ca 0.42 1.81 -0.24 0.00 0.04 0.00 0.00 61.00 63.03 3cfe s PRO 113 Cb -0.17 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.27 3cfe s PRO 113 CO 0.22 0.13 0.82 0.99 0.04 0.00 0.00 177.00 179.20 3cfe s THR 114 N -1.21 4.76 -0.10 1.26 2.01 -0.61 -4.79 115.64 116.95 3cfe s THR 114 Ca 0.46 1.21 -0.03 0.00 0.31 0.00 0.00 61.69 63.64 3cfe s THR 114 Cb -0.32 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 67.98 3cfe s THR 114 CO 0.41 -0.30 0.04 -0.69 -0.69 0.00 0.00 174.62 173.39 3cfe s VAL 115 N 3.05 4.62 -0.05 3.82 1.01 -1.26 -0.28 120.40 131.31 3cfe s VAL 115 Ca 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 3cfe s VAL 115 Cb -0.14 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.31 3cfe s VAL 115 CO 0.13 0.60 0.10 -0.44 0.00 0.00 0.00 175.10 175.50 3cfe s SER 116 N -0.85 0.13 0.04 3.32 0.01 -0.29 -5.01 113.70 111.04 3cfe s SER 116 Ca 0.13 0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.61 3cfe s SER 116 Cb -0.12 0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 3cfe s SER 116 CO 0.03 -0.16 0.07 -0.51 0.41 0.00 0.00 173.24 173.08 3cfe s ILE 117 N 1.33 4.57 -0.03 1.44 2.07 -1.26 -1.23 121.20 128.09 3cfe s ILE 117 Ca -0.07 -0.60 0.01 0.00 -1.41 0.00 0.00 60.65 58.58 3cfe s ILE 117 Cb -0.12 -3.14 0.02 0.00 0.13 0.00 0.00 42.46 39.35 3cfe s ILE 117 CO -0.05 0.24 -0.03 -0.36 -1.91 0.00 0.00 174.94 172.83 3cfe s PHE 118 N -1.28 0.54 0.85 3.50 0.40 0.08 -5.00 117.98 117.08 3cfe s PHE 118 Ca 0.26 -0.11 -0.13 0.00 -0.60 0.00 0.00 56.93 56.35 3cfe s PHE 118 Cb -0.12 -0.49 0.11 0.00 0.51 0.00 0.00 43.02 43.03 3cfe s PHE 118 CO 0.18 -0.12 1.21 -1.25 0.70 0.00 0.00 175.22 175.93 3cfe s PRO 119 N 0.67 1.60 0.46 0.24 0.04 -1.26 -1.81 135.00 134.94 3cfe s PRO 119 Ca -0.08 0.01 -0.25 0.00 0.04 0.00 0.00 61.00 60.72 3cfe s PRO 119 Cb -0.11 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 3cfe s PRO 119 CO -0.00 -1.83 1.37 -2.30 0.04 0.00 0.00 177.00 174.27 3cfe n PRO 120 N -3.46 2.06 -1.93 0.56 -0.02 -1.23 -4.82 135.00 126.16 3cfe n PRO 120 Ca 0.09 0.74 -0.31 0.00 -2.02 0.00 0.00 63.50 62.00 3cfe n PRO 120 Cb 0.61 -2.54 0.01 0.00 -0.02 0.00 0.00 33.50 31.55 3cfe n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3cfe s SER 121 N -0.56 6.08 0.21 2.55 1.04 -1.26 -4.95 113.70 116.80 3cfe s SER 121 Ca 0.63 1.53 -0.10 0.00 0.48 0.00 0.00 55.95 58.49 3cfe s SER 121 Cb -0.46 -2.49 0.27 0.00 0.10 0.00 0.00 66.02 63.44 3cfe s SER 121 CO 0.56 -0.97 1.74 -1.28 0.98 0.00 0.00 173.24 174.28 3cfe h SER 122 N -0.09 0.22 0.10 7.02 0.87 -2.00 -2.75 113.55 116.92 3cfe h SER 122 Ca -0.45 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 3cfe h SER 122 Cb 1.20 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 3cfe h SER 122 CO 0.60 0.13 -0.05 -0.33 -0.53 0.00 0.00 176.83 176.66 3cfe h GLU 123 N 0.41 -0.12 -0.95 2.24 3.07 -2.00 -2.31 114.58 114.91 3cfe h GLU 123 Ca 0.30 0.01 0.12 0.00 -0.50 0.00 0.00 59.36 59.29 3cfe h GLU 123 Cb 0.37 0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 28.24 3cfe h GLU 123 CO -0.30 0.15 0.61 0.37 -1.40 0.00 0.00 179.01 178.43 3cfe h GLN 124 N -0.39 0.88 -0.53 2.33 4.15 -1.88 -2.26 115.11 117.41 3cfe h GLN 124 Ca -0.01 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.26 3cfe h GLN 124 Cb 0.33 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 3cfe h GLN 124 CO 0.02 0.58 -0.06 -0.07 -1.93 0.00 0.00 178.83 177.37 3cfe h LEU 125 N 0.91 0.93 -1.05 -2.39 3.38 -1.15 -0.81 115.31 115.13 3cfe h LEU 125 Ca 0.46 -0.28 0.08 0.00 0.09 0.00 0.00 57.88 58.24 3cfe h LEU 125 Cb 0.50 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 3cfe h LEU 125 CO -0.22 1.02 0.63 0.74 0.09 0.00 0.00 178.44 180.70 3cfe h THR 126 N 0.85 1.02 0.00 0.22 2.02 -0.89 -1.11 112.91 115.02 3cfe h THR 126 Ca 0.15 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3cfe h THR 126 Cb 0.59 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3cfe h THR 126 CO 0.04 0.20 0.00 -1.20 0.37 0.00 0.00 175.52 174.92 3cfe n SER 127 N -4.53 0.09 0.00 4.18 7.64 -0.35 -4.88 113.62 115.77 3cfe n SER 127 Ca 0.16 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.57 3cfe n SER 127 Cb 0.25 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 3cfe n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cfe n GLY 128 N -0.35 0.69 3.90 0.23 0.00 -0.42 -5.07 105.19 104.18 3cfe n GLY 128 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 3cfe n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cfe s GLY 129 N -1.42 2.15 -0.30 -0.02 0.00 -1.14 -2.20 107.32 104.39 3cfe s GLY 129 Ca 0.00 -1.76 -0.06 0.00 0.00 0.00 0.00 44.72 42.90 3cfe s GLY 129 CO 0.00 -1.76 0.63 0.00 0.00 0.00 0.00 173.10 171.97 3cfe s ALA 130 N -2.57 -2.16 -0.14 3.20 0.00 -0.65 -3.65 121.76 115.79 3cfe s ALA 130 Ca 0.46 2.11 0.02 0.00 0.00 0.00 0.00 51.96 54.55 3cfe s ALA 130 Cb -0.03 -1.97 0.01 0.00 0.00 0.00 0.00 23.12 21.13 3cfe s ALA 130 CO 0.27 -1.12 -0.19 -1.12 0.00 0.00 0.00 175.76 173.60 3cfe s SER 131 N 2.88 2.90 -0.13 0.00 0.01 -1.26 -1.36 113.70 116.74 3cfe s SER 131 Ca 0.07 -0.55 -0.09 0.00 1.31 0.00 0.00 55.95 56.69 3cfe s SER 131 Cb -0.13 -1.33 -0.04 0.00 0.21 0.00 0.00 66.02 64.72 3cfe s SER 131 CO -0.20 0.04 0.18 -0.69 0.41 0.00 0.00 173.24 172.99 3cfe s VAL 132 N 0.97 5.42 0.08 3.43 1.01 0.53 -3.52 120.40 128.31 3cfe s VAL 132 Ca -0.05 0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.31 3cfe s VAL 132 Cb -0.15 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 3cfe s VAL 132 CO -0.04 0.56 -0.18 -0.69 0.00 0.00 0.00 175.10 174.76 3cfe s VAL 133 N -0.63 1.43 -0.04 2.92 1.01 -0.75 -0.47 120.40 123.87 3cfe s VAL 133 Ca 0.15 -1.38 -0.02 0.00 0.00 0.00 0.00 61.98 60.73 3cfe s VAL 133 Cb -0.12 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 34.97 3cfe s VAL 133 CO 0.04 -0.09 0.05 0.00 0.00 0.00 0.00 175.10 175.09 3cfe s PHE 135 N 1.93 3.61 -0.32 0.00 0.08 -0.36 -0.00 117.98 122.90 3cfe s PHE 135 Ca 0.02 0.64 0.01 0.00 0.12 0.00 0.00 56.93 57.71 3cfe s PHE 135 Cb -0.12 -2.08 0.10 0.00 -0.57 0.00 0.00 43.02 40.35 3cfe s PHE 135 CO -0.03 0.64 0.09 -0.51 -0.10 0.00 0.00 175.22 175.31 3cfe s LEU 136 N -0.80 2.88 0.11 -0.37 1.02 -0.54 -1.14 118.68 119.84 3cfe s LEU 136 Ca 0.17 -1.82 0.02 0.00 0.02 0.00 0.00 54.13 52.51 3cfe s LEU 136 Cb -0.13 -1.06 -0.04 0.00 0.02 0.00 0.00 46.19 44.98 3cfe s LEU 136 CO 0.06 -0.40 0.21 0.20 0.02 0.00 0.00 176.35 176.44 3cfe s ASN 137 N 1.37 6.16 -0.83 2.29 -0.87 0.62 -1.47 114.94 122.20 3cfe s ASN 137 Ca 0.11 0.16 -0.03 0.00 -1.57 0.00 0.00 52.86 51.53 3cfe s ASN 137 Cb -0.18 -1.83 -0.00 0.00 -0.02 0.00 0.00 41.25 39.22 3cfe s ASN 137 CO -0.20 0.12 0.66 0.59 -2.57 0.00 0.00 177.10 175.70 3cfe n ASN 138 N -0.06 -6.00 -4.33 -1.22 4.13 -0.87 -1.58 115.26 105.34 3cfe n ASN 138 Ca -0.07 -0.64 -0.18 0.00 1.68 0.00 0.00 54.58 55.37 3cfe n ASN 138 Cb 0.53 -3.21 -0.10 0.00 -1.54 0.00 0.00 39.78 35.46 3cfe n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3cfe s PHE 139 N -3.05 1.63 -0.12 3.10 -0.12 0.13 -4.49 117.98 115.06 3cfe s PHE 139 Ca 0.06 -0.66 -0.12 0.00 -0.05 0.00 0.00 56.93 56.15 3cfe s PHE 139 Cb -0.02 -0.81 0.03 0.00 -0.63 0.00 0.00 43.02 41.59 3cfe s PHE 139 CO 0.84 0.25 0.34 -0.47 -0.05 0.00 0.00 175.22 176.13 3cfe s TYR 140 N -3.09 -0.36 0.92 3.49 6.14 -0.88 -0.73 117.35 122.83 3cfe s TYR 140 Ca 0.23 0.86 -0.16 0.00 0.64 0.00 0.00 57.07 58.64 3cfe s TYR 140 Cb 0.01 0.13 0.22 0.00 0.42 0.00 0.00 41.96 42.73 3cfe s TYR 140 CO 0.06 -0.20 1.12 -0.35 0.64 0.00 0.00 175.55 176.82 3cfe n PRO 141 N 2.73 -1.59 0.18 4.97 -0.04 -1.26 -1.56 135.00 138.43 3cfe n PRO 141 Ca -0.14 -1.74 0.05 0.00 -0.04 0.00 0.00 63.50 61.63 3cfe n PRO 141 Cb 0.57 -1.27 0.51 0.00 -0.04 0.00 0.00 33.50 33.28 3cfe n PRO 141 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3cfe h LYS 142 N 0.00 0.14 -6.36 0.54 3.64 -1.97 -3.44 116.57 109.11 3cfe h LYS 142 Ca -0.37 -0.02 -0.54 0.00 -1.27 0.00 0.00 60.65 58.45 3cfe h LYS 142 Cb 1.06 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.86 3cfe h LYS 142 CO 0.26 0.20 1.02 0.34 -2.27 0.00 0.00 179.45 178.99 3cfe s ASP 143 N -6.95 6.66 -0.05 4.20 -1.08 -1.26 -4.96 116.67 113.23 3cfe s ASP 143 Ca -0.05 2.33 -0.30 0.00 -0.52 0.00 0.00 52.55 54.01 3cfe s ASP 143 Cb 0.16 -2.55 0.08 0.00 -1.46 0.00 0.00 42.92 39.15 3cfe s ASP 143 CO 0.70 -0.88 0.72 -0.51 0.52 0.00 0.00 175.17 175.72 3cfe s ILE 144 N 3.21 0.00 0.01 4.11 2.07 -1.26 -4.58 121.20 124.75 3cfe s ILE 144 Ca 0.73 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 60.05 3cfe s ILE 144 Cb -0.36 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.21 3cfe s ILE 144 CO 0.31 0.00 -0.25 0.20 -1.91 0.00 0.00 174.94 173.28 3cfe s ASN 145 N -1.30 3.19 -0.05 4.50 -0.87 -0.91 -5.02 114.94 114.48 3cfe s ASN 145 Ca -0.09 -0.50 0.04 0.00 -1.57 0.00 0.00 52.86 50.74 3cfe s ASN 145 Cb -0.00 -0.36 -0.00 0.00 -0.02 0.00 0.00 41.25 40.87 3cfe s ASN 145 CO 0.07 0.29 -0.17 -0.69 -2.57 0.00 0.00 177.10 174.03 3cfe s VAL 146 N -0.71 1.47 -0.10 1.60 1.01 -1.26 -1.39 120.40 121.01 3cfe s VAL 146 Ca 0.11 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.39 3cfe s VAL 146 Cb -0.10 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 3cfe s VAL 146 CO 0.01 0.42 -0.18 -0.54 0.00 0.00 0.00 175.10 174.81 3cfe s LYS 147 N 0.16 3.10 -0.15 2.72 1.02 -0.67 -4.98 119.74 120.94 3cfe s LYS 147 Ca -0.07 -0.77 -0.15 0.00 0.02 0.00 0.00 55.97 55.00 3cfe s LYS 147 Cb -0.13 -2.45 -0.05 0.00 -0.52 0.00 0.00 37.83 34.68 3cfe s LYS 147 CO 0.03 0.27 0.34 -1.58 -0.92 0.00 0.00 175.35 173.48 3cfe s TRP 148 N 0.18 3.47 -0.22 3.18 0.52 -1.26 -1.26 118.94 123.55 3cfe s TRP 148 Ca -0.10 0.66 -0.00 0.00 0.02 0.00 0.00 56.10 56.68 3cfe s TRP 148 Cb -0.16 -2.39 0.02 0.00 -1.15 0.00 0.00 33.47 29.79 3cfe s TRP 148 CO 0.06 0.22 -0.11 0.15 0.02 0.00 0.00 176.95 177.29 3cfe s LYS 149 N 0.52 2.87 -0.33 4.98 1.02 -0.68 0.59 119.74 128.72 3cfe s LYS 149 Ca 0.19 -0.94 -0.11 0.00 0.02 0.00 0.00 55.97 55.13 3cfe s LYS 149 Cb -0.13 -2.84 -0.01 0.00 -0.52 0.00 0.00 37.83 34.33 3cfe s LYS 149 CO 0.05 -0.34 0.18 0.42 -0.92 0.00 0.00 175.35 174.75 3cfe s ILE 150 N 1.30 4.78 -1.49 2.17 1.01 0.13 -0.52 121.20 128.58 3cfe s ILE 150 Ca 0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 3cfe s ILE 150 Cb -0.16 -3.47 0.05 0.00 0.01 0.00 0.00 42.46 38.89 3cfe s ILE 150 CO -0.07 0.01 0.55 0.47 0.00 0.00 0.00 174.94 175.91 3cfe n ASP 151 N 5.02 -1.39 0.00 3.58 8.00 -0.52 -1.62 116.55 129.62 3cfe n ASP 151 Ca -0.13 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.38 3cfe n ASP 151 Cb 0.49 -3.07 0.00 0.00 -0.02 0.00 0.00 41.12 38.52 3cfe n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cfe n GLY 152 N -1.82 2.76 3.71 0.44 0.00 -1.26 -4.98 105.19 104.05 3cfe n GLY 152 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3cfe n GLY 152 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cfe s SER 153 N -1.31 7.13 0.50 1.61 0.15 -0.64 -4.92 113.70 116.22 3cfe s SER 153 Ca 0.00 1.36 -0.22 0.00 0.70 0.00 0.00 55.95 57.79 3cfe s SER 153 Cb 0.00 -2.47 -0.06 0.00 -1.71 0.00 0.00 66.02 61.78 3cfe s SER 153 CO 0.00 -0.18 1.24 -0.70 1.20 0.00 0.00 173.24 174.80 3cfe s GLU 154 N 0.94 3.48 -0.15 5.44 2.12 -1.26 0.19 118.70 129.46 3cfe s GLU 154 Ca 0.43 1.95 -0.00 0.00 0.36 0.00 0.00 54.97 57.70 3cfe s GLU 154 Cb -0.19 -2.32 0.03 0.00 0.26 0.00 0.00 34.13 31.92 3cfe s GLU 154 CO 0.21 -0.83 -0.08 0.50 -0.54 0.00 0.00 175.26 174.52 3cfe s ARG 155 N -2.82 1.68 -0.17 4.30 6.06 0.20 -4.82 118.95 123.38 3cfe s ARG 155 Ca 0.67 -0.46 0.01 0.00 -2.50 0.00 0.00 55.73 53.45 3cfe s ARG 155 Cb -0.33 -1.92 -0.23 0.00 0.06 0.00 0.00 34.95 32.54 3cfe s ARG 155 CO 0.39 -0.34 0.17 1.04 -2.50 0.00 0.00 175.30 174.07 3cfe n GLN 156 N 4.86 0.70 -2.52 5.12 6.02 -1.26 -4.18 117.38 126.12 3cfe n GLN 156 Ca -0.13 0.20 -0.42 0.00 -0.01 0.00 0.00 57.00 56.65 3cfe n GLN 156 Cb 0.49 -1.64 -0.03 0.00 1.02 0.00 0.00 30.24 30.07 3cfe n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3cfe s ASN 157 N -6.62 7.22 -0.19 1.08 0.01 -1.26 -3.46 114.94 111.72 3cfe s ASN 157 Ca -0.23 1.99 -0.00 0.00 -0.71 0.00 0.00 52.86 53.90 3cfe s ASN 157 Cb 0.08 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.15 3cfe s ASN 157 CO 0.72 -0.31 0.02 0.61 -1.51 0.00 0.00 177.10 176.63 3cfe n GLY 158 N 2.62 0.35 3.61 0.66 0.00 -1.26 -4.87 105.19 106.30 3cfe n GLY 158 Ca 0.05 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 3cfe n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cfe s VAL 159 N -2.26 4.57 -0.19 1.61 1.01 -1.22 -2.04 120.40 121.88 3cfe s VAL 159 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.88 3cfe s VAL 159 Cb -0.00 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.35 3cfe s VAL 159 CO 0.01 0.48 -0.16 -0.76 0.00 0.00 0.00 175.10 174.67 3cfe s LEU 160 N 0.26 2.38 0.11 3.92 1.43 0.33 -4.94 118.68 122.16 3cfe s LEU 160 Ca 0.02 -0.65 0.05 0.00 -1.03 0.00 0.00 54.13 52.52 3cfe s LEU 160 Cb -0.13 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 3cfe s LEU 160 CO 0.01 -0.02 0.02 0.20 0.23 0.00 0.00 176.35 176.79 3cfe s ASN 161 N 1.31 5.11 -0.21 2.29 0.01 -1.26 0.25 114.94 122.45 3cfe s ASN 161 Ca 0.04 -0.18 -0.05 0.00 -0.71 0.00 0.00 52.86 51.97 3cfe s ASN 161 Cb -0.14 -1.24 0.11 0.00 0.41 0.00 0.00 41.25 40.39 3cfe s ASN 161 CO -0.11 0.15 0.39 -0.55 -1.51 0.00 0.00 177.10 175.48 3cfe s SER 162 N -2.48 -0.01 0.25 -1.22 0.15 -0.24 -4.97 113.70 105.19 3cfe s SER 162 Ca 0.27 0.66 -0.10 0.00 0.70 0.00 0.00 55.95 57.48 3cfe s SER 162 Cb -0.11 1.20 -0.07 0.00 -1.71 0.00 0.00 66.02 65.33 3cfe s SER 162 CO 0.19 -0.26 0.58 0.26 1.20 0.00 0.00 173.24 175.21 3cfe s TRP 163 N 2.57 3.42 0.25 3.44 0.51 -1.26 -1.14 118.94 126.72 3cfe s TRP 163 Ca 0.04 0.91 0.02 0.00 -2.12 0.00 0.00 56.10 54.95 3cfe s TRP 163 Cb -0.13 -2.29 -0.03 0.00 -0.81 0.00 0.00 33.47 30.20 3cfe s TRP 163 CO -0.14 0.23 0.41 0.95 -0.51 0.00 0.00 176.95 177.89 3cfe s THR 164 N -1.87 5.21 0.92 2.01 -4.23 -0.95 -5.00 115.64 111.73 3cfe s THR 164 Ca 0.48 -0.65 -0.12 0.00 -1.18 0.00 0.00 61.69 60.23 3cfe s THR 164 Cb -0.11 -3.81 0.07 0.00 1.34 0.00 0.00 72.50 69.99 3cfe s THR 164 CO 0.22 -0.32 0.69 0.47 -0.54 0.00 0.00 174.62 175.14 3cfe n ASP 165 N -1.20 -1.11 -4.69 3.99 8.00 -1.26 -4.57 116.55 115.71 3cfe n ASP 165 Ca -0.06 0.38 -0.44 0.00 0.71 0.00 0.00 54.79 55.38 3cfe n ASP 165 Cb 0.56 -1.31 -0.04 0.00 -0.02 0.00 0.00 41.12 40.31 3cfe n ASP 165 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 3cfe n GLN 166 N -2.57 2.53 -1.68 -1.24 7.27 -1.26 -4.72 117.38 115.71 3cfe n GLN 166 Ca 0.09 0.92 -0.45 0.00 0.07 0.00 0.00 57.00 57.62 3cfe n GLN 166 Cb 0.53 -2.76 -0.04 0.00 2.41 0.00 0.00 30.24 30.38 3cfe n GLN 166 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 3cfe n ASP 167 N 4.87 3.66 0.00 1.69 -0.08 0.20 -4.83 116.55 122.07 3cfe n ASP 167 Ca 0.18 0.98 0.03 0.00 -1.51 0.00 0.00 54.79 54.47 3cfe n ASP 167 Cb 0.33 -1.45 0.13 0.00 2.34 0.00 0.00 41.12 42.48 3cfe n ASP 167 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3cfe n SER 168 N 6.11 0.00 -0.06 1.67 3.41 -1.26 -1.20 113.62 122.29 3cfe n SER 168 Ca 0.20 0.38 -0.13 0.00 -0.26 0.00 0.00 58.87 59.06 3cfe n SER 168 Cb 0.33 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.83 3cfe n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3cfe n LYS 169 N -1.41 0.28 0.00 4.33 5.02 -1.26 -4.75 118.16 120.36 3cfe n LYS 169 Ca 0.02 0.12 0.08 0.00 -2.02 0.00 0.00 58.31 56.51 3cfe n LYS 169 Cb 0.06 -0.97 0.06 0.00 -0.02 0.00 0.00 35.03 34.15 3cfe n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3cfe n ASP 170 N -3.65 2.20 -1.24 4.39 5.68 -1.24 -5.02 116.55 117.67 3cfe n ASP 170 Ca -0.24 -1.60 -0.13 0.00 -0.50 0.00 0.00 54.79 52.33 3cfe n ASP 170 Cb 0.63 0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.66 3cfe n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3cfe n SER 171 N 0.73 -4.25 -4.98 -1.12 7.64 -0.34 -4.99 113.62 106.30 3cfe n SER 171 Ca 0.09 0.14 -0.20 0.00 1.01 0.00 0.00 58.87 59.90 3cfe n SER 171 Cb 0.38 -3.19 0.02 0.00 -1.01 0.00 0.00 64.21 60.41 3cfe n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3cfe s THR 172 N -2.56 2.38 0.28 0.44 -4.23 -1.26 -4.70 115.64 105.98 3cfe s THR 172 Ca 0.00 -1.14 0.09 0.00 -1.18 0.00 0.00 61.69 59.45 3cfe s THR 172 Cb 0.00 -2.52 -0.06 0.00 1.34 0.00 0.00 72.50 71.27 3cfe s THR 172 CO 0.00 0.00 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.66 3cfe s TYR 173 N -2.57 2.06 0.22 3.99 1.51 0.09 0.61 117.35 123.26 3cfe s TYR 173 Ca 0.53 -0.56 -0.00 0.00 -1.01 0.00 0.00 57.07 56.03 3cfe s TYR 173 Cb -0.06 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.68 3cfe s TYR 173 CO 0.33 0.45 0.12 -1.12 -1.11 0.00 0.00 175.55 174.21 3cfe s SER 174 N -3.46 0.56 -0.16 2.29 0.01 -1.26 0.17 113.70 111.84 3cfe s SER 174 Ca 0.29 -1.39 -0.21 0.00 1.31 0.00 0.00 55.95 55.95 3cfe s SER 174 Cb 0.01 0.30 0.05 0.00 0.21 0.00 0.00 66.02 66.59 3cfe s SER 174 CO 0.12 -0.80 0.55 -0.32 0.41 0.00 0.00 173.24 173.20 3cfe s MET 175 N -4.11 0.72 -0.09 12.44 0.00 -0.54 -2.25 119.30 125.47 3cfe s MET 175 Ca 0.39 0.57 0.01 0.00 0.00 0.00 0.00 55.69 56.66 3cfe s MET 175 Cb 0.07 0.35 -0.02 0.00 0.00 0.00 0.00 34.83 35.23 3cfe s MET 175 CO 0.13 -0.13 -0.11 -1.54 0.00 0.00 0.00 175.02 173.36 3cfe s SER 176 N -0.15 4.22 -0.05 1.11 1.04 -0.29 -1.46 113.70 118.11 3cfe s SER 176 Ca -0.03 -0.20 0.04 0.00 0.48 0.00 0.00 55.95 56.24 3cfe s SER 176 Cb -0.03 -1.25 -0.02 0.00 0.10 0.00 0.00 66.02 64.82 3cfe s SER 176 CO 0.03 0.28 -0.16 -0.55 0.98 0.00 0.00 173.24 173.81 3cfe s SER 177 N -0.30 3.89 -0.09 7.02 0.15 1.00 -1.08 113.70 124.29 3cfe s SER 177 Ca 0.03 -0.25 -0.00 0.00 0.70 0.00 0.00 55.95 56.43 3cfe s SER 177 Cb -0.13 -0.87 0.02 0.00 -1.71 0.00 0.00 66.02 63.34 3cfe s SER 177 CO 0.03 0.32 -0.06 -0.89 1.20 0.00 0.00 173.24 173.84 3cfe s THR 178 N -0.59 0.81 -0.27 6.45 2.01 0.14 -0.10 115.64 124.09 3cfe s THR 178 Ca 0.09 -0.19 -0.09 0.00 0.31 0.00 0.00 61.69 61.80 3cfe s THR 178 Cb -0.11 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 3cfe s THR 178 CO 0.01 0.32 0.13 -0.22 -0.69 0.00 0.00 174.62 174.17 3cfe s LEU 179 N 1.52 3.76 -0.08 4.42 2.96 0.38 -0.51 118.68 131.12 3cfe s LEU 179 Ca 0.00 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 3cfe s LEU 179 Cb -0.13 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 3cfe s LEU 179 CO -0.05 -0.06 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.90 3cfe s THR 180 N 1.68 3.08 0.30 3.68 2.01 -0.86 -0.35 115.64 125.17 3cfe s THR 180 Ca 0.07 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.26 3cfe s THR 180 Cb -0.16 -2.24 0.01 0.00 0.01 0.00 0.00 72.50 70.12 3cfe s THR 180 CO 0.07 0.57 0.53 -1.48 -0.69 0.00 0.00 174.62 173.62 3cfe s LEU 181 N -0.34 0.44 0.68 4.42 0.05 -0.46 -4.81 118.68 118.66 3cfe s LEU 181 Ca 0.03 -1.10 -0.14 0.00 0.05 0.00 0.00 54.13 52.97 3cfe s LEU 181 Cb -0.13 1.88 0.01 0.00 -2.05 0.00 0.00 46.19 45.90 3cfe s LEU 181 CO 0.02 -1.27 1.09 0.42 -0.55 0.00 0.00 176.35 176.06 3cfe s THR 182 N -3.50 3.47 0.25 5.48 -4.23 -1.26 -1.64 115.64 114.21 3cfe s THR 182 Ca 0.23 0.61 -0.04 0.00 -1.18 0.00 0.00 61.69 61.31 3cfe s THR 182 Cb -0.01 -3.15 0.22 0.00 1.34 0.00 0.00 72.50 70.90 3cfe s THR 182 CO 0.12 -0.50 1.81 0.50 -0.54 0.00 0.00 174.62 176.02 3cfe h LYS 183 N -0.26 0.79 -0.12 3.99 3.64 -1.64 0.21 116.57 123.18 3cfe h LYS 183 Ca -0.46 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 3cfe h LYS 183 Cb 1.23 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3cfe h LYS 183 CO 0.54 0.53 0.02 -0.44 -2.27 0.00 0.00 179.45 177.83 3cfe h ASP 184 N 0.82 0.19 -0.02 4.20 3.32 -1.92 0.15 116.42 123.16 3cfe h ASP 184 Ca 0.41 -0.25 0.03 0.00 0.02 0.00 0.00 57.03 57.24 3cfe h ASP 184 Cb 0.38 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 3cfe h ASP 184 CO -0.25 0.40 -0.23 -0.33 -1.72 0.00 0.00 179.24 177.11 3cfe h GLU 185 N -0.02 -0.34 -0.45 3.56 5.08 -1.75 -2.30 114.58 118.36 3cfe h GLU 185 Ca 0.04 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.51 3cfe h GLU 185 Cb 0.28 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.51 3cfe h GLU 185 CO 0.00 -0.23 -0.29 -0.92 -1.00 0.00 0.00 179.01 176.57 3cfe h TYR 186 N -0.35 -0.80 0.00 4.33 3.20 -0.47 -1.66 116.97 121.22 3cfe h TYR 186 Ca 0.07 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3cfe h TYR 186 Cb 0.44 0.42 0.00 0.00 1.54 0.00 0.00 36.73 39.13 3cfe h TYR 186 CO -0.28 -0.36 0.00 0.39 -1.64 0.00 0.00 178.16 176.27 3cfe n GLU 187 N -5.42 0.38 -0.64 1.82 1.02 0.52 -2.50 120.64 115.83 3cfe n GLU 187 Ca 0.02 0.07 0.06 0.00 -0.02 0.00 0.00 57.16 57.29 3cfe n GLU 187 Cb 0.33 -1.50 0.31 0.00 -0.02 0.00 0.00 31.44 30.56 3cfe n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3cfe n ARG 188 N -1.22 3.78 -3.62 3.49 1.74 -0.62 -4.92 116.66 115.29 3cfe n ARG 188 Ca 0.11 -2.41 -0.16 0.00 -0.77 0.00 0.00 57.85 54.62 3cfe n ARG 188 Cb 0.15 -2.00 -0.07 0.00 -1.02 0.00 0.00 32.46 29.52 3cfe n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3cfe s HIS 189 N -2.19 -0.50 -0.20 -1.55 3.76 -1.04 -5.08 115.29 108.49 3cfe s HIS 189 Ca 0.42 0.89 -0.08 0.00 -0.15 0.00 0.00 55.06 56.15 3cfe s HIS 189 Cb 0.31 0.28 -0.20 0.00 1.11 0.00 0.00 32.58 34.07 3cfe s HIS 189 CO 0.15 -0.50 0.07 -1.71 -0.85 0.00 0.00 174.74 171.90 3cfe n ASN 190 N 1.26 2.02 -4.35 1.40 5.15 -1.26 -4.82 115.26 114.65 3cfe n ASN 190 Ca -0.19 0.17 -0.31 0.00 -0.60 0.00 0.00 54.58 53.65 3cfe n ASN 190 Cb 0.57 -0.75 -0.15 0.00 -0.53 0.00 0.00 39.78 38.91 3cfe n ASN 190 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3cfe s SER 191 N -6.93 3.23 -0.12 1.20 1.04 -1.26 0.21 113.70 111.07 3cfe s SER 191 Ca -0.29 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 55.66 3cfe s SER 191 Cb 0.08 -0.38 0.02 0.00 0.10 0.00 0.00 66.02 65.84 3cfe s SER 191 CO 0.65 0.30 -0.13 -0.31 0.98 0.00 0.00 173.24 174.73 3cfe s TYR 192 N -0.71 1.91 0.18 5.02 2.02 -0.48 -1.44 117.35 123.84 3cfe s TYR 192 Ca 0.11 -0.96 0.11 0.00 -0.37 0.00 0.00 57.07 55.96 3cfe s TYR 192 Cb -0.10 -1.42 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 3cfe s TYR 192 CO 0.01 -0.53 -0.23 0.99 -1.57 0.00 0.00 175.55 174.21 3cfe s THR 193 N 1.26 2.42 -0.26 -0.71 2.01 0.32 -1.91 115.64 118.77 3cfe s THR 193 Ca -0.01 -1.93 -0.02 0.00 0.31 0.00 0.00 61.69 60.04 3cfe s THR 193 Cb -0.14 -2.14 0.08 0.00 0.01 0.00 0.00 72.50 70.31 3cfe s THR 193 CO -0.05 -0.07 0.07 0.00 -0.69 0.00 0.00 174.62 173.88 3cfe s GLU 195 N 1.76 3.83 -0.16 0.00 2.02 -0.39 -1.48 118.70 124.28 3cfe s GLU 195 Ca 0.05 -0.38 -0.02 0.00 0.02 0.00 0.00 54.97 54.64 3cfe s GLU 195 Cb -0.17 -3.11 -0.02 0.00 0.10 0.00 0.00 34.13 30.93 3cfe s GLU 195 CO -0.20 0.31 -0.08 0.00 0.02 0.00 0.00 175.26 175.31 3cfe s ALA 196 N 0.24 2.77 -0.16 5.21 0.00 0.49 -1.67 121.76 128.64 3cfe s ALA 196 Ca 0.02 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 3cfe s ALA 196 Cb -0.13 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 3cfe s ALA 196 CO 0.01 0.08 -0.06 0.99 0.00 0.00 0.00 175.76 176.78 3cfe s THR 197 N 0.62 3.58 -0.04 0.00 2.01 -0.49 -0.15 115.64 121.17 3cfe s THR 197 Ca -0.05 -0.46 -0.19 0.00 0.31 0.00 0.00 61.69 61.30 3cfe s THR 197 Cb -0.15 -2.56 0.04 0.00 0.01 0.00 0.00 72.50 69.83 3cfe s THR 197 CO 0.03 0.49 0.42 -2.28 -0.69 0.00 0.00 174.62 172.58 3cfe s HIS 198 N 0.57 -0.33 0.23 4.92 2.46 -1.26 -2.14 115.29 119.73 3cfe s HIS 198 Ca -0.04 0.58 -0.18 0.00 0.47 0.00 0.00 55.06 55.89 3cfe s HIS 198 Cb -0.15 0.18 0.24 0.00 -0.13 0.00 0.00 32.58 32.72 3cfe s HIS 198 CO 0.03 -0.43 1.55 1.17 -2.47 0.00 0.00 174.74 174.59 3cfe n LYS 199 N 1.36 -0.24 0.27 2.88 4.81 -1.26 -0.87 118.16 125.11 3cfe n LYS 199 Ca -0.20 1.54 0.07 0.00 -0.87 0.00 0.00 58.31 58.84 3cfe n LYS 199 Cb 0.56 -2.28 0.35 0.00 0.02 0.00 0.00 35.03 33.68 3cfe n LYS 199 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 3cfe h THR 200 N 0.00 0.00 -3.49 3.15 1.35 -1.88 -3.41 112.91 108.63 3cfe h THR 200 Ca 0.34 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.96 3cfe h THR 200 Cb 0.59 0.28 -0.30 0.00 -1.73 0.00 0.00 68.15 67.00 3cfe h THR 200 CO -0.99 0.00 -0.65 -0.55 -0.25 0.00 0.00 175.52 173.07 3cfe s SER 201 N -3.48 -0.04 0.17 5.36 0.15 -0.05 -4.97 113.70 110.83 3cfe s SER 201 Ca -0.01 0.15 -0.02 0.00 0.70 0.00 0.00 55.95 56.76 3cfe s SER 201 Cb 0.04 0.10 0.04 0.00 -1.71 0.00 0.00 66.02 64.49 3cfe s SER 201 CO 0.12 -0.08 1.43 0.71 1.20 0.00 0.00 173.24 176.62 3cfe h THR 202 N 5.56 1.37 -2.47 6.45 1.35 -1.82 -3.40 112.91 119.96 3cfe h THR 202 Ca -0.34 -2.12 -0.56 0.00 -0.55 0.00 0.00 66.41 62.84 3cfe h THR 202 Cb 1.17 2.09 -0.09 0.00 -1.73 0.00 0.00 68.15 69.59 3cfe h THR 202 CO 0.46 0.64 -0.62 -0.94 -0.25 0.00 0.00 175.52 174.81 3cfe s SER 203 N -6.98 4.85 0.94 5.36 1.04 -1.26 -5.05 113.70 112.60 3cfe s SER 203 Ca -0.06 -0.46 -0.11 0.00 0.48 0.00 0.00 55.95 55.81 3cfe s SER 203 Cb 0.10 -1.04 0.16 0.00 0.10 0.00 0.00 66.02 65.34 3cfe s SER 203 CO 0.84 0.03 1.12 -2.16 0.98 0.00 0.00 173.24 174.05 3cfe s PRO 204 N -3.41 0.85 -0.29 4.02 0.04 -1.26 -4.86 135.00 130.09 3cfe s PRO 204 Ca 0.30 1.36 -0.10 0.00 0.04 0.00 0.00 61.00 62.60 3cfe s PRO 204 Cb -0.08 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 3cfe s PRO 204 CO 0.20 -2.68 0.17 0.42 0.04 0.00 0.00 177.00 175.15 3cfe s ILE 205 N -2.66 4.99 -0.13 0.56 1.01 0.79 -4.92 121.20 120.84 3cfe s ILE 205 Ca 0.66 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 61.28 3cfe s ILE 205 Cb -0.22 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 38.82 3cfe s ILE 205 CO 0.59 0.19 -0.22 -0.69 0.00 0.00 0.00 174.94 174.81 3cfe s VAL 206 N 1.70 2.11 0.03 2.92 1.01 -1.26 -0.38 120.40 126.54 3cfe s VAL 206 Ca 0.06 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.12 3cfe s VAL 206 Cb -0.16 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 3cfe s VAL 206 CO 0.09 0.55 -0.14 -0.54 0.00 0.00 0.00 175.10 175.06 3cfe s LYS 207 N 0.64 0.97 0.20 2.72 -0.14 -0.55 -4.99 119.74 118.58 3cfe s LYS 207 Ca -0.11 -0.72 -0.23 0.00 -1.36 0.00 0.00 55.97 53.55 3cfe s LYS 207 Cb -0.16 -0.97 0.07 0.00 -1.68 0.00 0.00 37.83 35.08 3cfe s LYS 207 CO 0.02 0.25 0.97 -1.54 -0.76 0.00 0.00 175.35 174.29 3cfe s SER 208 N -1.01 -0.08 0.11 2.83 1.04 -1.26 0.03 113.70 115.36 3cfe s SER 208 Ca 0.02 -0.62 -0.12 0.00 0.48 0.00 0.00 55.95 55.72 3cfe s SER 208 Cb -0.07 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.60 3cfe s SER 208 CO 0.01 -1.05 0.29 0.72 0.98 0.00 0.00 173.24 174.19 3cfe s PHE 209 N -2.70 -0.01 -0.17 5.02 -0.12 -0.80 -4.99 117.98 114.20 3cfe s PHE 209 Ca 0.17 -0.37 0.01 0.00 -0.05 0.00 0.00 56.93 56.69 3cfe s PHE 209 Cb -0.02 0.09 0.02 0.00 -0.63 0.00 0.00 43.02 42.47 3cfe s PHE 209 CO 0.05 -0.62 -0.20 -0.80 -0.05 0.00 0.00 175.22 173.60 3cfe s ASN 210 N -2.83 3.09 0.32 1.98 0.01 -1.26 -1.39 114.94 114.87 3cfe s ASN 210 Ca 0.04 -0.63 0.04 0.00 -0.71 0.00 0.00 52.86 51.60 3cfe s ASN 210 Cb 0.03 -1.45 0.66 0.00 0.41 0.00 0.00 41.25 40.90 3cfe s ASN 210 CO -0.11 0.00 1.89 0.03 -1.51 0.00 0.00 177.10 177.40 3cfe h ARG 211 N 7.90 0.84 -0.02 -0.60 3.08 -0.56 -1.45 114.38 123.57 3cfe h ARG 211 Ca -0.44 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3cfe h ARG 211 Cb 1.14 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3cfe h ARG 211 CO 0.63 0.56 0.00 0.27 -1.07 0.00 0.00 179.97 180.35 3cfe n ASN 212 N -4.54 0.02 0.00 7.04 0.23 -1.26 -5.14 115.26 111.61 3cfe n ASN 212 Ca 0.16 -0.26 0.00 0.00 -0.53 0.00 0.00 54.58 53.95 3cfe n ASN 212 Cb 0.33 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 3cfe n ASN 212 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71