#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c4j n GLN 0 N 0.00 1.06 -0.04 3.23 10.64 -1.11 -4.62 117.38 126.55 3c4j n GLN 0 Ca 0.00 0.05 -0.14 0.00 -1.83 0.00 0.00 57.00 55.08 3c4j n GLN 0 Cb 0.00 -1.31 -0.11 0.00 -0.86 0.00 0.00 30.24 27.96 3c4j n GLN 0 CO 0.00 0.00 0.00 1.98 -1.83 0.00 0.00 177.06 177.21 3c4j h MET 1 N 0.00 0.09 -4.94 2.61 4.05 -1.08 -3.34 114.93 112.32 3c4j h MET 1 Ca -0.34 -0.09 -0.57 0.00 -0.28 0.00 0.00 59.70 58.42 3c4j h MET 1 Cb 1.62 0.02 -0.33 0.00 -0.80 0.00 0.00 31.60 32.11 3c4j h MET 1 CO -0.02 0.83 -0.84 0.42 0.23 0.00 0.00 176.91 177.53 3c4j s ILE 2 N -3.22 1.45 -0.10 1.77 1.01 -0.39 -0.46 121.20 121.27 3c4j s ILE 2 Ca -0.17 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 3c4j s ILE 2 Cb 0.00 -1.28 0.03 0.00 0.01 0.00 0.00 42.46 41.22 3c4j s ILE 2 CO 0.71 0.42 -0.05 -0.62 0.00 0.00 0.00 174.94 175.40 3c4j s ASP 3 N 0.43 1.96 -0.12 3.58 2.15 0.64 0.21 116.67 125.52 3c4j s ASP 3 Ca -0.13 -0.23 -0.00 0.00 0.43 0.00 0.00 52.55 52.62 3c4j s ASP 3 Cb -0.15 -0.71 0.02 0.00 -0.30 0.00 0.00 42.92 41.78 3c4j s ASP 3 CO 0.05 -0.14 -0.09 -0.69 -0.17 0.00 0.00 175.17 174.13 3c4j s VAL 4 N 1.76 1.14 -0.16 1.11 1.01 0.60 -0.03 120.40 125.82 3c4j s VAL 4 Ca 0.04 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.67 3c4j s VAL 4 Cb -0.13 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.14 3c4j s VAL 4 CO -0.07 0.39 -0.16 -1.00 0.00 0.00 0.00 175.10 174.26 3c4j s HIS 5 N 1.65 2.40 -1.60 5.22 3.76 -0.27 -2.01 115.29 124.45 3c4j s HIS 5 Ca 0.05 -1.41 -0.12 0.00 -0.15 0.00 0.00 55.06 53.43 3c4j s HIS 5 Cb -0.13 -1.71 0.10 0.00 1.11 0.00 0.00 32.58 31.96 3c4j s HIS 5 CO -0.09 -0.72 0.67 1.04 -0.85 0.00 0.00 174.74 174.79 3c4j n GLN 6 N 4.71 -3.30 -2.05 1.40 6.02 -1.18 -0.50 117.38 122.48 3c4j n GLN 6 Ca -0.18 0.39 -0.42 0.00 -0.01 0.00 0.00 57.00 56.78 3c4j n GLN 6 Cb 0.50 -4.91 -0.03 0.00 1.02 0.00 0.00 30.24 26.81 3c4j n GLN 6 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3c4j s LEU 7 N -7.19 4.35 0.05 1.08 2.96 -0.60 -3.53 118.68 115.80 3c4j s LEU 7 Ca 0.50 2.34 0.04 0.00 -0.22 0.00 0.00 54.13 56.78 3c4j s LEU 7 Cb -0.27 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.83 3c4j s LEU 7 CO 0.91 -0.81 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.47 3c4j s LYS 8 N 2.45 0.75 -0.10 1.98 1.02 -0.68 -1.11 119.74 124.05 3c4j s LYS 8 Ca 0.69 -0.81 -0.08 0.00 0.02 0.00 0.00 55.97 55.79 3c4j s LYS 8 Cb -0.36 -0.69 0.03 0.00 -0.52 0.00 0.00 37.83 36.28 3c4j s LYS 8 CO 0.30 0.16 0.26 0.21 -0.92 0.00 0.00 175.35 175.35 3c4j s LYS 9 N -1.46 0.29 0.01 1.68 2.47 -0.61 -1.63 119.74 120.49 3c4j s LYS 9 Ca -0.03 0.38 0.05 0.00 -1.56 0.00 0.00 55.97 54.81 3c4j s LYS 9 Cb -0.09 0.11 -0.02 0.00 -1.46 0.00 0.00 37.83 36.38 3c4j s LYS 9 CO 0.01 -0.05 -0.15 -1.12 0.16 0.00 0.00 175.35 174.20 3c4j s SER 10 N 0.28 1.76 -0.90 1.43 0.01 -1.26 -0.19 113.70 114.83 3c4j s SER 10 Ca -0.01 -0.36 -0.00 0.00 1.31 0.00 0.00 55.95 56.88 3c4j s SER 10 Cb -0.03 -0.16 0.27 0.00 0.21 0.00 0.00 66.02 66.31 3c4j s SER 10 CO -0.01 0.12 1.06 0.49 0.41 0.00 0.00 173.24 175.31 3c4j n PHE 11 N 2.32 3.31 0.00 2.43 3.72 0.29 -4.93 117.46 124.61 3c4j n PHE 11 Ca -0.16 -3.52 0.00 0.00 -0.05 0.00 0.00 57.45 53.72 3c4j n PHE 11 Cb 0.55 -1.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.07 3c4j n PHE 11 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3c4j n GLY 12 N 1.45 1.50 0.07 1.37 0.00 -1.26 -3.54 105.19 104.78 3c4j n GLY 12 Ca 0.26 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 3c4j n GLY 12 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3c4j h SER 13 N 0.00 -0.01 -3.12 1.61 0.02 -2.02 -3.44 113.55 106.59 3c4j h SER 13 Ca 0.00 -0.86 -0.55 0.00 -0.84 0.00 0.00 61.79 59.54 3c4j h SER 13 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 3c4j h SER 13 CO 0.00 0.87 1.03 -0.22 -1.14 0.00 0.00 176.83 177.37 3c4j s LEU 14 N -8.44 3.46 -0.72 5.07 1.98 -1.23 -4.96 118.68 113.85 3c4j s LEU 14 Ca -0.18 0.28 -0.27 0.00 -2.89 0.00 0.00 54.13 51.07 3c4j s LEU 14 Cb -0.02 -3.20 0.03 0.00 0.66 0.00 0.00 46.19 43.65 3c4j s LEU 14 CO 0.66 -1.54 1.32 -0.70 -1.89 0.00 0.00 176.35 174.20 3c4j s GLU 15 N 5.10 3.18 0.14 1.98 2.12 -1.26 -0.54 118.70 129.42 3c4j s GLU 15 Ca 0.49 -0.14 0.10 0.00 0.36 0.00 0.00 54.97 55.78 3c4j s GLU 15 Cb -0.09 -4.18 -0.14 0.00 0.26 0.00 0.00 34.13 29.97 3c4j s GLU 15 CO 0.27 -2.15 1.24 -0.39 -0.54 0.00 0.00 175.26 173.69 3c4j h VAL 16 N 6.10 1.38 -3.28 3.70 -1.51 -0.93 -3.41 116.25 118.31 3c4j h VAL 16 Ca -0.28 -3.01 -0.67 0.00 -1.23 0.00 0.00 66.70 61.51 3c4j h VAL 16 Cb 1.06 2.67 -0.34 0.00 -2.13 0.00 0.00 31.29 32.56 3c4j h VAL 16 CO 1.27 0.79 -0.81 -0.76 -1.23 0.00 0.00 177.57 176.82 3c4j s LEU 17 N -6.55 2.57 -0.30 4.19 1.43 -1.11 -3.97 118.68 114.93 3c4j s LEU 17 Ca 0.01 -0.74 0.10 0.00 -1.03 0.00 0.00 54.13 52.48 3c4j s LEU 17 Cb 0.09 -1.56 0.64 0.00 0.03 0.00 0.00 46.19 45.40 3c4j s LEU 17 CO 0.80 -0.05 1.67 0.29 0.23 0.00 0.00 176.35 179.30 3c4j n LYS 18 N 4.63 2.98 0.00 1.70 5.02 -0.02 -1.58 118.16 130.89 3c4j n LYS 18 Ca -0.19 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.04 3c4j n LYS 18 Cb 0.49 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 3c4j n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3c4j n GLY 19 N -0.56 0.80 3.35 0.72 0.00 -0.38 -4.97 105.19 104.14 3c4j n GLY 19 Ca 0.38 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 3c4j n GLY 19 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3c4j s ILE 20 N 0.00 2.26 -0.12 -0.61 -4.36 -0.27 -4.77 121.20 113.32 3c4j s ILE 20 Ca 0.00 -1.10 0.02 0.00 -0.26 0.00 0.00 60.65 59.31 3c4j s ILE 20 Cb 0.00 -1.82 0.02 0.00 1.25 0.00 0.00 42.46 41.91 3c4j s ILE 20 CO 0.00 0.54 -0.16 0.20 0.24 0.00 0.00 174.94 175.76 3c4j s ASN 21 N -0.77 2.54 -0.06 4.36 0.01 -1.26 -1.56 114.94 118.20 3c4j s ASN 21 Ca 0.11 -0.45 -0.15 0.00 -0.71 0.00 0.00 52.86 51.65 3c4j s ASN 21 Cb -0.10 -1.14 0.03 0.00 0.41 0.00 0.00 41.25 40.45 3c4j s ASN 21 CO 0.00 0.01 0.35 0.54 -1.51 0.00 0.00 177.10 176.49 3c4j s VAL 22 N 1.06 0.03 -0.16 1.60 0.11 -0.85 -5.02 120.40 117.17 3c4j s VAL 22 Ca -0.05 -0.29 -0.04 0.00 -2.93 0.00 0.00 61.98 58.68 3c4j s VAL 22 Cb -0.15 -0.60 0.06 0.00 -1.53 0.00 0.00 36.38 34.16 3c4j s VAL 22 CO -0.03 -0.16 0.07 -1.00 -3.33 0.00 0.00 175.10 170.65 3c4j s HIS 23 N -0.79 0.39 -0.21 1.54 3.76 -1.26 -0.30 115.29 118.42 3c4j s HIS 23 Ca -0.09 -0.39 -0.05 0.00 -0.15 0.00 0.00 55.06 54.38 3c4j s HIS 23 Cb -0.04 -0.75 -0.02 0.00 1.11 0.00 0.00 32.58 32.87 3c4j s HIS 23 CO 0.03 -0.50 0.01 0.42 -0.85 0.00 0.00 174.74 173.85 3c4j s ILE 24 N 2.07 4.01 0.45 0.60 -1.09 0.13 -4.42 121.20 122.96 3c4j s ILE 24 Ca 0.02 -0.29 -0.13 0.00 -2.23 0.00 0.00 60.65 58.01 3c4j s ILE 24 Cb -0.16 -2.83 -0.07 0.00 -1.58 0.00 0.00 42.46 37.82 3c4j s ILE 24 CO -0.08 0.41 0.86 0.00 -1.23 0.00 0.00 174.94 174.90 3c4j s ARG 25 N 1.11 3.86 0.00 2.79 1.70 -1.26 -0.53 118.95 126.62 3c4j s ARG 25 Ca 0.03 0.69 -0.35 0.00 -0.47 0.00 0.00 55.73 55.62 3c4j s ARG 25 Cb -0.14 -2.28 -0.14 0.00 -0.57 0.00 0.00 34.95 31.81 3c4j s ARG 25 CO 0.02 -0.13 1.65 -1.91 -1.08 0.00 0.00 175.30 173.84 3c4j n GLU 26 N -1.38 1.80 -0.89 3.89 2.13 -1.26 -1.46 120.64 123.48 3c4j n GLU 26 Ca 0.04 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.52 3c4j n GLU 26 Cb 0.54 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.84 3c4j n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3c4j n GLY 27 N 3.65 0.50 3.70 8.31 0.00 -1.26 -4.96 105.19 115.14 3c4j n GLY 27 Ca 0.20 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 3c4j n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3c4j s GLU 28 N -0.93 4.20 -0.46 1.61 2.12 -0.53 -4.68 118.70 120.03 3c4j s GLU 28 Ca 0.00 0.03 -0.21 0.00 0.36 0.00 0.00 54.97 55.15 3c4j s GLU 28 Cb 0.00 -3.48 0.03 0.00 0.26 0.00 0.00 34.13 30.95 3c4j s GLU 28 CO 0.00 0.14 0.67 0.08 -0.54 0.00 0.00 175.26 175.61 3c4j s VAL 29 N 0.79 4.79 -0.12 3.70 1.01 -1.26 -2.04 120.40 127.27 3c4j s VAL 29 Ca 0.15 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 3c4j s VAL 29 Cb -0.13 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 3c4j s VAL 29 CO 0.04 -0.68 -0.05 -0.69 0.00 0.00 0.00 175.10 173.72 3c4j s VAL 30 N 2.90 3.82 -0.15 2.92 1.01 0.12 0.43 120.40 131.45 3c4j s VAL 30 Ca 0.22 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 3c4j s VAL 30 Cb -0.15 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 3c4j s VAL 30 CO 0.18 0.54 -0.09 -0.69 0.00 0.00 0.00 175.10 175.04 3c4j s VAL 31 N -0.10 3.36 -0.21 2.92 1.01 -0.05 -1.07 120.40 126.25 3c4j s VAL 31 Ca 0.02 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 3c4j s VAL 31 Cb -0.13 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 3c4j s VAL 31 CO 0.03 0.50 0.02 -0.69 0.00 0.00 0.00 175.10 174.95 3c4j s VAL 32 N 0.56 4.03 0.30 2.92 1.01 0.11 -0.01 120.40 129.31 3c4j s VAL 32 Ca -0.06 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.70 3c4j s VAL 32 Cb -0.15 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 3c4j s VAL 32 CO 0.03 0.41 -0.02 0.27 0.00 0.00 0.00 175.10 175.79 3c4j s ILE 33 N 1.15 1.50 0.00 2.22 -4.36 -0.16 -2.05 121.20 119.50 3c4j s ILE 33 Ca 0.03 -2.07 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 3c4j s ILE 33 Cb -0.14 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 40.98 3c4j s ILE 33 CO 0.02 -0.19 0.00 0.61 0.24 0.00 0.00 174.94 175.62 3c4j n GLY 34 N -0.63 3.71 3.63 6.27 0.00 -1.26 -0.41 105.19 116.50 3c4j n GLY 34 Ca -0.04 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 3c4j n GLY 34 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3c4j s PRO 35 N -2.42 -0.74 0.40 1.61 0.02 -1.25 -4.97 135.00 127.65 3c4j s PRO 35 Ca 0.00 0.04 -0.27 0.00 0.02 0.00 0.00 61.00 60.79 3c4j s PRO 35 Cb 0.00 -1.64 -0.10 0.00 0.02 0.00 0.00 34.50 32.77 3c4j s PRO 35 CO 0.00 -3.41 1.46 0.43 -0.33 0.00 0.00 177.00 175.15 3c4j n SER 36 N -4.57 3.59 0.00 2.53 7.64 -1.26 -3.50 113.62 118.05 3c4j n SER 36 Ca 0.11 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.19 3c4j n SER 36 Cb 0.59 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 3c4j n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3c4j n GLY 37 N 0.51 0.38 0.07 0.23 0.00 -1.26 -4.95 105.19 100.17 3c4j n GLY 37 Ca 0.03 -1.07 0.12 0.00 0.00 0.00 0.00 46.02 45.10 3c4j n GLY 37 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3c4j h SER 38 N 0.00 0.00 0.00 1.61 0.02 -1.90 -3.42 113.55 109.86 3c4j h SER 38 Ca 0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3c4j h SER 38 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3c4j h SER 38 CO 0.00 0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.39 3c4j n GLY 39 N 1.33 0.77 0.13 -3.77 0.00 -1.26 -2.88 105.19 99.50 3c4j n GLY 39 Ca 0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 3c4j n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3c4j h LYS 40 N 0.37 0.36 -0.17 1.61 1.57 -1.92 0.33 116.57 118.71 3c4j h LYS 40 Ca 0.00 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 3c4j h LYS 40 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3c4j h LYS 40 CO 0.00 0.40 -0.47 0.77 -0.57 0.00 0.00 179.45 179.58 3c4j h SER 41 N 0.24 0.70 -0.74 0.86 0.02 -1.99 -2.57 113.55 110.07 3c4j h SER 41 Ca 0.08 -0.58 0.10 0.00 -0.84 0.00 0.00 61.79 60.55 3c4j h SER 41 Cb 0.17 -0.20 -0.08 0.00 0.14 0.00 0.00 62.40 62.43 3c4j h SER 41 CO -0.01 1.16 0.37 0.74 -1.14 0.00 0.00 176.83 177.95 3c4j h THR 42 N 0.28 0.82 -0.12 -2.27 2.02 -1.98 -0.09 112.91 111.57 3c4j h THR 42 Ca -0.01 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 66.99 3c4j h THR 42 Cb 1.08 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3c4j h THR 42 CO 0.10 0.11 -0.05 0.15 0.37 0.00 0.00 175.52 176.20 3c4j h PHE 43 N 0.60 -0.11 -0.37 3.16 3.57 -0.84 -1.63 116.94 121.34 3c4j h PHE 43 Ca 0.37 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.83 3c4j h PHE 43 Cb 0.43 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3c4j h PHE 43 CO -0.11 -0.08 -0.00 -0.07 -2.23 0.00 0.00 178.31 175.82 3c4j h LEU 44 N -0.03 0.54 -0.38 0.59 3.38 -1.01 -2.62 115.31 115.77 3c4j h LEU 44 Ca 0.06 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3c4j h LEU 44 Cb 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3c4j h LEU 44 CO -0.14 0.61 0.06 0.03 0.09 0.00 0.00 178.44 179.09 3c4j h ARG 45 N 0.55 0.63 -0.84 1.13 3.08 -0.74 -1.66 114.38 116.52 3c4j h ARG 45 Ca 0.12 -0.17 0.05 0.00 0.07 0.00 0.00 59.98 60.05 3c4j h ARG 45 Cb 0.35 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.27 3c4j h ARG 45 CO 0.01 0.69 0.53 0.00 -1.07 0.00 0.00 179.97 180.13 3c4j h LEU 47 N 0.98 0.04 -2.82 0.00 3.38 -1.22 -2.82 115.31 112.85 3c4j h LEU 47 Ca 0.36 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3c4j h LEU 47 Cb 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3c4j h LEU 47 CO -0.16 0.23 0.00 -3.20 0.09 0.00 0.00 178.44 175.40 3c4j n ASN 48 N -4.30 4.10 -1.78 -0.43 4.05 -0.57 -4.94 115.26 111.39 3c4j n ASN 48 Ca -0.02 -2.07 -0.18 0.00 0.45 0.00 0.00 54.58 52.75 3c4j n ASN 48 Cb 0.26 -0.51 -0.04 0.00 1.23 0.00 0.00 39.78 40.72 3c4j n ASN 48 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3c4j n LEU 49 N 1.58 -1.61 0.03 1.20 4.77 -0.56 -4.86 117.00 117.55 3c4j n LEU 49 Ca 0.25 0.20 0.11 0.00 -0.03 0.00 0.00 56.01 56.54 3c4j n LEU 49 Cb 0.67 -2.63 -0.00 0.00 -2.33 0.00 0.00 43.42 39.13 3c4j n LEU 49 CO 0.18 -0.55 -0.07 0.18 -1.33 0.00 0.00 177.39 175.80 3c4j n LEU 50 N -2.39 0.59 -3.84 2.23 4.77 -0.16 -4.87 117.00 113.33 3c4j n LEU 50 Ca -0.20 -0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.64 3c4j n LEU 50 Cb 0.64 -0.08 -0.15 0.00 -2.33 0.00 0.00 43.42 41.50 3c4j n LEU 50 CO 0.27 0.03 -0.36 -1.61 -1.33 0.00 0.00 177.39 174.38 3c4j s GLU 51 N -3.23 0.04 0.43 3.23 2.02 -1.18 -4.95 118.70 115.06 3c4j s GLU 51 Ca 0.02 0.05 -0.06 0.00 0.02 0.00 0.00 54.97 55.01 3c4j s GLU 51 Cb 0.14 -0.14 -0.04 0.00 0.10 0.00 0.00 34.13 34.19 3c4j s GLU 51 CO 0.81 -0.05 0.73 0.16 0.02 0.00 0.00 175.26 176.93 3c4j s ASP 52 N 0.38 6.34 0.25 -0.19 -4.77 -1.26 -4.17 116.67 113.25 3c4j s ASP 52 Ca -0.03 0.90 0.09 0.00 -3.30 0.00 0.00 52.55 50.21 3c4j s ASP 52 Cb -0.05 -2.23 -0.04 0.00 -1.09 0.00 0.00 42.92 39.51 3c4j s ASP 52 CO -0.01 -0.47 -0.02 0.72 0.70 0.00 0.00 175.17 176.09 3c4j s PHE 53 N -2.55 2.68 0.02 2.11 -0.12 -1.26 -4.98 117.98 113.88 3c4j s PHE 53 Ca 0.47 -0.22 -0.08 0.00 -0.05 0.00 0.00 56.93 57.05 3c4j s PHE 53 Cb -0.10 -1.21 -0.31 0.00 -0.63 0.00 0.00 43.02 40.77 3c4j s PHE 53 CO 0.40 0.61 0.93 -0.44 -0.05 0.00 0.00 175.22 176.66 3c4j h ASP 54 N 2.06 0.57 -5.19 1.98 3.32 -1.69 -3.48 116.42 114.00 3c4j h ASP 54 Ca -0.45 -0.70 -0.05 0.00 0.02 0.00 0.00 57.03 55.86 3c4j h ASP 54 Cb 1.24 -0.19 -0.10 0.00 0.22 0.00 0.00 39.33 40.51 3c4j h ASP 54 CO 0.59 1.57 -0.09 -1.83 -1.72 0.00 0.00 179.24 177.76 3c4j s GLU 55 N -2.61 1.44 0.00 3.56 -1.05 -1.13 -5.01 118.70 113.90 3c4j s GLU 55 Ca -0.09 -1.11 0.00 0.00 -0.15 0.00 0.00 54.97 53.62 3c4j s GLU 55 Cb 0.06 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 3c4j s GLU 55 CO 0.89 -0.60 0.00 0.41 0.95 0.00 0.00 175.26 176.91 3c4j n GLY 56 N -0.34 -1.60 2.88 -3.83 0.00 -1.23 -1.69 105.19 99.37 3c4j n GLY 56 Ca -0.05 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 3c4j n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3c4j s GLU 57 N 0.00 0.03 -0.11 1.61 2.12 0.34 -4.96 118.70 117.74 3c4j s GLU 57 Ca 0.00 0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.50 3c4j s GLU 57 Cb 0.00 -0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.31 3c4j s GLU 57 CO 0.00 -0.09 -0.11 0.42 -0.54 0.00 0.00 175.26 174.94 3c4j s ILE 58 N 0.56 1.25 -0.14 -3.70 1.01 -1.26 -1.11 121.20 117.81 3c4j s ILE 58 Ca -0.04 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.15 3c4j s ILE 58 Cb -0.06 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 41.22 3c4j s ILE 58 CO -0.02 0.40 -0.18 -0.63 0.00 0.00 0.00 174.94 174.51 3c4j s ILE 59 N 1.28 2.42 -0.12 2.92 -1.09 0.96 -1.78 121.20 125.79 3c4j s ILE 59 Ca -0.02 -0.86 0.01 0.00 -2.23 0.00 0.00 60.65 57.56 3c4j s ILE 59 Cb -0.14 -2.00 0.02 0.00 -1.58 0.00 0.00 42.46 38.76 3c4j s ILE 59 CO -0.05 0.53 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.41 3c4j s ILE 60 N 0.77 1.56 -1.46 2.92 1.01 0.12 -0.26 121.20 125.85 3c4j s ILE 60 Ca -0.07 -0.66 -0.08 0.00 0.00 0.00 0.00 60.65 59.84 3c4j s ILE 60 Cb -0.16 -1.44 0.04 0.00 0.01 0.00 0.00 42.46 40.91 3c4j s ILE 60 CO 0.00 0.45 0.79 -0.67 0.00 0.00 0.00 174.94 175.52 3c4j n ASP 61 N 4.40 -5.50 -0.47 3.58 2.03 0.39 -1.68 116.55 119.30 3c4j n ASP 61 Ca -0.18 -0.46 -0.06 0.00 0.52 0.00 0.00 54.79 54.61 3c4j n ASP 61 Cb 0.51 -4.42 -0.03 0.00 -0.72 0.00 0.00 41.12 36.46 3c4j n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3c4j n GLY 62 N -1.60 0.85 3.17 0.27 0.00 -1.25 -5.04 105.19 101.58 3c4j n GLY 62 Ca -0.04 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 3c4j n GLY 62 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3c4j s ILE 63 N -2.20 1.27 -0.02 -0.61 -4.36 -0.67 -5.12 121.20 109.49 3c4j s ILE 63 Ca 0.00 -0.98 -0.22 0.00 -0.26 0.00 0.00 60.65 59.19 3c4j s ILE 63 Cb 0.00 -1.12 -0.05 0.00 1.25 0.00 0.00 42.46 42.54 3c4j s ILE 63 CO 0.00 0.12 0.65 0.21 0.24 0.00 0.00 174.94 176.16 3c4j s ASN 64 N -1.00 7.00 0.37 4.36 3.84 -1.26 -0.71 114.94 127.55 3c4j s ASN 64 Ca 0.04 1.20 0.27 0.00 0.21 0.00 0.00 52.86 54.58 3c4j s ASN 64 Cb -0.08 -2.39 0.94 0.00 -0.55 0.00 0.00 41.25 39.17 3c4j s ASN 64 CO 0.01 0.02 1.79 -0.07 -2.79 0.00 0.00 177.10 176.06 3c4j h LEU 65 N 6.02 0.00 -2.67 3.21 3.38 -1.75 -3.17 115.31 120.33 3c4j h LEU 65 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3c4j h LEU 65 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3c4j h LEU 65 CO 0.72 0.00 0.00 0.29 0.09 0.00 0.00 178.44 179.54 3c4j n LYS 66 N -2.66 2.44 -2.39 1.13 5.02 -1.26 -5.00 118.16 115.44 3c4j n LYS 66 Ca 0.03 -1.63 -0.41 0.00 -2.02 0.00 0.00 58.31 54.28 3c4j n LYS 66 Cb 0.35 -1.13 -0.04 0.00 -0.02 0.00 0.00 35.03 34.19 3c4j n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3c4j s ALA 67 N -0.92 3.43 0.37 7.82 0.00 -1.20 -4.95 121.76 126.31 3c4j s ALA 67 Ca 0.11 0.98 0.06 0.00 0.00 0.00 0.00 51.96 53.10 3c4j s ALA 67 Cb 0.06 -3.37 0.71 0.00 0.00 0.00 0.00 23.12 20.51 3c4j s ALA 67 CO 0.08 -0.30 1.95 0.87 0.00 0.00 0.00 175.76 178.36 3c4j h LYS 68 N 4.06 0.52 0.00 0.00 6.56 -1.95 -2.90 116.57 122.86 3c4j h LYS 68 Ca -0.47 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.05 3c4j h LYS 68 Cb 1.21 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.78 3c4j h LYS 68 CO 0.68 0.47 0.00 0.38 -2.06 0.00 0.00 179.45 178.92 3c4j h ASP 69 N 0.52 0.00 -3.56 0.86 2.03 -1.96 -3.47 116.42 110.83 3c4j h ASP 69 Ca 0.12 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.90 3c4j h ASP 69 Cb 0.18 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.65 3c4j h ASP 69 CO -0.01 0.00 0.30 0.42 -1.03 0.00 0.00 179.24 178.92 3c4j s THR 70 N -3.22 4.46 -0.51 1.15 -4.23 -1.10 -5.01 115.64 107.18 3c4j s THR 70 Ca 0.08 1.94 -0.26 0.00 -1.18 0.00 0.00 61.69 62.27 3c4j s THR 70 Cb 0.08 -4.26 0.03 0.00 1.34 0.00 0.00 72.50 69.70 3c4j s THR 70 CO 0.61 0.38 0.99 0.21 -0.54 0.00 0.00 174.62 176.27 3c4j s ASN 71 N -0.35 6.45 0.26 3.99 3.04 -1.26 -4.92 114.94 122.16 3c4j s ASN 71 Ca 0.43 -0.00 0.03 0.00 0.04 0.00 0.00 52.86 53.35 3c4j s ASN 71 Cb -0.23 -2.47 0.35 0.00 -1.54 0.00 0.00 41.25 37.36 3c4j s ASN 71 CO 0.28 -1.19 1.66 -0.07 -3.04 0.00 0.00 177.10 174.74 3c4j h LEU 72 N 10.95 0.42 -1.02 3.21 3.38 -1.94 -2.95 115.31 127.36 3c4j h LEU 72 Ca -0.25 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 3c4j h LEU 72 Cb 1.07 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3c4j h LEU 72 CO 1.08 0.77 -0.19 0.78 0.09 0.00 0.00 178.44 180.97 3c4j h ASN 73 N 0.33 0.47 -0.62 -0.43 2.35 -1.99 0.16 115.58 115.85 3c4j h ASN 73 Ca 0.03 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.56 3c4j h ASN 73 Cb 0.84 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.06 3c4j h ASN 73 CO 0.07 0.68 0.10 0.50 -1.65 0.00 0.00 177.43 177.13 3c4j h LYS 74 N 0.44 1.05 -0.04 0.81 3.64 -1.95 -3.00 116.57 117.52 3c4j h LYS 74 Ca 0.07 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 3c4j h LYS 74 Cb 0.58 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3c4j h LYS 74 CO 0.04 0.96 -0.04 0.28 -2.27 0.00 0.00 179.45 178.42 3c4j h VAL 75 N 0.98 1.38 -1.22 2.00 2.07 -1.33 -3.23 116.25 116.90 3c4j h VAL 75 Ca 0.20 -1.18 0.42 0.00 0.82 0.00 0.00 66.70 66.96 3c4j h VAL 75 Cb 0.42 2.08 -0.14 0.00 -1.52 0.00 0.00 31.29 32.13 3c4j h VAL 75 CO 0.01 0.32 0.75 0.03 0.02 0.00 0.00 177.57 178.70 3c4j h ARG 76 N -0.36 0.09 -0.01 1.57 3.08 -0.86 0.51 114.38 118.39 3c4j h ARG 76 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3c4j h ARG 76 Cb 0.53 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3c4j h ARG 76 CO 0.01 0.06 -0.19 -0.85 -1.07 0.00 0.00 179.97 177.92 3c4j n GLU 77 N -4.87 1.08 0.02 0.04 0.28 -1.14 -3.59 120.64 112.46 3c4j n GLU 77 Ca 0.37 -0.65 0.11 0.00 -0.16 0.00 0.00 57.16 56.83 3c4j n GLU 77 Cb 1.36 -1.49 -0.02 0.00 1.43 0.00 0.00 31.44 32.72 3c4j n GLU 77 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3c4j n GLU 78 N -0.40 0.33 -4.30 3.44 1.02 0.17 -4.54 120.64 116.36 3c4j n GLU 78 Ca 0.14 -0.02 -0.34 0.00 -0.02 0.00 0.00 57.16 56.92 3c4j n GLU 78 Cb 0.36 -1.59 -0.12 0.00 -0.02 0.00 0.00 31.44 30.07 3c4j n GLU 78 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3c4j s VAL 79 N -3.23 4.05 0.07 2.62 1.01 -1.05 0.18 120.40 124.05 3c4j s VAL 79 Ca 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.72 3c4j s VAL 79 Cb 0.14 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3c4j s VAL 79 CO 0.82 0.48 0.14 -0.83 0.00 0.00 0.00 175.10 175.71 3c4j s GLY 80 N 0.43 2.10 -0.02 4.51 0.00 0.63 -4.91 107.32 110.05 3c4j s GLY 80 Ca -0.02 -0.93 -0.00 0.00 0.00 0.00 0.00 44.72 43.77 3c4j s GLY 80 CO 0.02 -0.90 0.04 -0.29 0.00 0.00 0.00 173.10 171.97 3c4j s MET 81 N -2.40 -0.04 -0.15 2.90 1.75 -1.26 0.79 119.30 120.89 3c4j s MET 81 Ca 0.31 0.21 -0.01 0.00 -1.25 0.00 0.00 55.69 54.95 3c4j s MET 81 Cb -0.13 -0.27 -0.01 0.00 2.84 0.00 0.00 34.83 37.26 3c4j s MET 81 CO 0.24 -0.19 -0.10 0.08 -0.65 0.00 0.00 175.02 174.41 3c4j s VAL 82 N 1.19 3.22 0.59 10.11 1.01 0.20 -4.94 120.40 131.78 3c4j s VAL 82 Ca -0.08 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.40 3c4j s VAL 82 Cb -0.13 -2.39 0.09 0.00 0.00 0.00 0.00 36.38 33.95 3c4j s VAL 82 CO -0.03 0.50 0.81 -0.36 0.00 0.00 0.00 175.10 176.02 3c4j s PHE 83 N 0.60 1.52 0.21 5.22 0.08 -1.26 -0.75 117.98 123.58 3c4j s PHE 83 Ca -0.06 -0.63 -0.01 0.00 0.12 0.00 0.00 56.93 56.35 3c4j s PHE 83 Cb -0.15 -2.35 0.17 0.00 -0.57 0.00 0.00 43.02 40.12 3c4j s PHE 83 CO 0.03 -1.21 1.54 0.37 -0.10 0.00 0.00 175.22 175.85 3c4j h GLN 84 N 0.09 0.49 -4.35 0.44 4.15 -1.53 -3.40 115.11 111.01 3c4j h GLN 84 Ca -0.31 -0.30 -0.31 0.00 0.77 0.00 0.00 58.65 58.50 3c4j h GLN 84 Cb 1.28 0.03 -0.10 0.00 0.21 0.00 0.00 27.48 28.90 3c4j h GLN 84 CO 0.41 0.89 -0.31 1.03 -1.93 0.00 0.00 178.83 178.92 3c4j s ARG 85 N -4.02 1.77 -1.89 1.69 0.52 -1.26 -4.60 118.95 111.16 3c4j s ARG 85 Ca -0.07 -1.78 0.00 0.00 -0.52 0.00 0.00 55.73 53.36 3c4j s ARG 85 Cb 0.12 0.40 0.00 0.00 0.52 0.00 0.00 34.95 35.98 3c4j s ARG 85 CO 0.83 -0.70 0.00 1.19 0.02 0.00 0.00 175.30 176.63 3c4j n PHE 86 N -0.54 -0.11 0.21 -0.53 3.01 -1.26 -4.89 117.46 113.35 3c4j n PHE 86 Ca 0.03 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.56 3c4j n PHE 86 Cb 0.62 -3.16 0.43 0.00 -0.01 0.00 0.00 39.48 37.36 3c4j n PHE 86 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3c4j h ASN 87 N 0.00 0.00 -2.64 4.37 2.35 -1.93 -3.45 115.58 114.28 3c4j h ASN 87 Ca -0.38 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 54.80 3c4j h ASN 87 Cb 1.21 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.50 3c4j h ASN 87 CO 0.54 0.31 -0.59 -0.76 -1.65 0.00 0.00 177.43 175.28 3c4j s LEU 88 N -7.25 3.64 -0.34 1.61 1.43 -1.26 -4.93 118.68 111.58 3c4j s LEU 88 Ca -0.01 -0.25 -0.25 0.00 -1.03 0.00 0.00 54.13 52.59 3c4j s LEU 88 Cb 0.12 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 44.11 3c4j s LEU 88 CO 0.67 0.05 0.85 -0.36 0.23 0.00 0.00 176.35 177.79 3c4j s PHE 89 N -1.84 3.15 -0.28 0.29 0.40 -1.26 -4.95 117.98 113.50 3c4j s PHE 89 Ca 0.30 0.78 0.28 0.00 -0.60 0.00 0.00 56.93 57.70 3c4j s PHE 89 Cb -0.09 -3.41 1.05 0.00 0.51 0.00 0.00 43.02 41.07 3c4j s PHE 89 CO 0.22 -0.69 1.82 -1.00 0.70 0.00 0.00 175.22 176.27 3c4j h PRO 90 N 8.28 0.00 -0.05 0.24 0.13 -1.98 -2.95 132.00 135.67 3c4j h PRO 90 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3c4j h PRO 90 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3c4j h PRO 90 CO 0.93 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.31 3c4j n HIS 91 N -2.67 0.03 -4.40 1.56 1.44 -1.26 -4.52 115.22 105.40 3c4j n HIS 91 Ca 0.02 -0.02 -0.27 0.00 -2.01 0.00 0.00 57.72 55.44 3c4j n HIS 91 Cb 0.32 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.31 3c4j n HIS 91 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3c4j s MET 92 N -1.97 1.53 0.90 -1.40 -1.94 -1.12 -5.12 119.30 110.19 3c4j s MET 92 Ca 0.34 -1.46 -0.11 0.00 -1.71 0.00 0.00 55.69 52.75 3c4j s MET 92 Cb 0.20 -1.88 0.13 0.00 2.01 0.00 0.00 34.83 35.29 3c4j s MET 92 CO 0.32 0.42 1.09 0.95 -0.01 0.00 0.00 175.02 177.79 3c4j s THR 93 N -1.51 2.65 0.25 2.05 -4.23 -1.26 -4.24 115.64 109.34 3c4j s THR 93 Ca 0.19 0.21 -0.03 0.00 -1.18 0.00 0.00 61.69 60.88 3c4j s THR 93 Cb -0.09 -2.60 0.22 0.00 1.34 0.00 0.00 72.50 71.38 3c4j s THR 93 CO 0.09 -0.27 1.76 0.58 -0.54 0.00 0.00 174.62 176.24 3c4j h VAL 94 N -1.61 0.74 -0.20 2.29 2.07 -0.68 -1.40 116.25 117.47 3c4j h VAL 94 Ca -0.49 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3c4j h VAL 94 Cb 1.28 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3c4j h VAL 94 CO 0.52 0.11 0.04 0.25 0.02 0.00 0.00 177.57 178.51 3c4j h LEU 95 N 0.58 0.31 -1.39 2.57 5.85 -0.81 -2.97 115.31 119.44 3c4j h LEU 95 Ca 0.43 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3c4j h LEU 95 Cb 0.59 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 3c4j h LEU 95 CO -0.35 0.47 -0.10 0.78 -0.34 0.00 0.00 178.44 178.89 3c4j h ASN 96 N 0.13 0.00 -0.25 1.25 -0.26 -1.71 -1.35 115.58 113.40 3c4j h ASN 96 Ca 0.06 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.79 3c4j h ASN 96 Cb 0.28 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.53 3c4j h ASN 96 CO 0.00 0.10 0.11 0.78 -1.06 0.00 0.00 177.43 177.36 3c4j h ASN 97 N 0.00 0.35 -0.04 5.81 2.35 -1.13 -2.59 115.58 120.33 3c4j h ASN 97 Ca -0.00 -0.16 -0.20 0.00 -0.55 0.00 0.00 56.30 55.39 3c4j h ASN 97 Cb 0.58 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3c4j h ASN 97 CO 0.01 0.41 -0.72 0.40 -1.65 0.00 0.00 177.43 175.88 3c4j h ILE 98 N 0.26 1.31 0.00 2.81 2.04 -1.23 -3.30 117.51 119.40 3c4j h ILE 98 Ca 0.08 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 63.97 3c4j h ILE 98 Cb 0.17 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3c4j h ILE 98 CO -0.01 0.62 -0.42 0.71 0.00 0.00 0.00 178.15 179.06 3c4j h THR 99 N 0.48 0.00 0.24 -0.27 1.35 -1.34 -3.40 112.91 109.97 3c4j h THR 99 Ca -0.03 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 3c4j h THR 99 Cb 1.33 1.42 -0.04 0.00 -1.73 0.00 0.00 68.15 69.13 3c4j h THR 99 CO 0.14 0.00 -0.49 0.25 -0.25 0.00 0.00 175.52 175.17 3c4j h LEU 100 N 0.00 -1.43 0.04 3.87 5.85 -1.54 -2.51 115.31 119.59 3c4j h LEU 100 Ca 0.00 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 3c4j h LEU 100 Cb 0.84 0.51 0.00 0.00 0.37 0.00 0.00 40.66 42.38 3c4j h LEU 100 CO 0.00 -0.56 -0.02 0.00 -0.34 0.00 0.00 178.44 177.52 3c4j h ALA 101 N -0.74 -0.05 -0.44 1.25 0.00 -1.81 0.77 119.26 118.24 3c4j h ALA 101 Ca -0.03 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 54.89 3c4j h ALA 101 Cb 0.75 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3c4j h ALA 101 CO -0.19 -0.41 0.44 -1.35 0.00 0.00 0.00 179.25 177.73 3c4j h PRO 102 N -0.29 0.00 0.04 0.00 0.11 -1.77 0.63 132.00 130.72 3c4j h PRO 102 Ca -0.01 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.87 3c4j h PRO 102 Cb 0.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 3c4j h PRO 102 CO 0.01 0.00 -1.26 0.52 -0.21 0.00 0.00 178.00 177.06 3c4j h MET 103 N 0.00 0.09 -0.30 1.05 2.86 -1.26 -2.57 114.93 114.79 3c4j h MET 103 Ca 0.21 -0.16 -0.16 0.00 -2.06 0.00 0.00 59.70 57.53 3c4j h MET 103 Cb 1.08 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 3c4j h MET 103 CO -0.00 1.08 -0.45 -0.22 1.06 0.00 0.00 176.91 178.37 3c4j h LYS 104 N -0.69 0.79 0.00 1.72 3.64 -0.19 -2.75 116.57 119.08 3c4j h LYS 104 Ca -0.31 -0.44 -0.30 0.00 -1.27 0.00 0.00 60.65 58.33 3c4j h LYS 104 Cb 1.48 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.28 3c4j h LYS 104 CO -0.09 1.07 -1.72 0.28 -2.27 0.00 0.00 179.45 176.72 3c4j n VAL 105 N -4.02 1.52 1.09 2.00 0.31 0.22 -4.47 118.33 114.97 3c4j n VAL 105 Ca -0.03 -0.15 0.12 0.00 -0.01 0.00 0.00 64.34 64.27 3c4j n VAL 105 Cb 0.57 -2.03 0.35 0.00 -0.91 0.00 0.00 33.84 31.82 3c4j n VAL 105 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3c4j n ARG 106 N -4.37 1.92 -3.99 5.55 1.74 -1.20 -4.96 116.66 111.35 3c4j n ARG 106 Ca -0.38 -1.37 -0.29 0.00 -0.77 0.00 0.00 57.85 55.04 3c4j n ARG 106 Cb 0.72 -1.44 -0.01 0.00 -1.02 0.00 0.00 32.46 30.71 3c4j n ARG 106 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3c4j n LYS 107 N 0.61 -3.86 -2.78 5.56 4.76 -1.04 -4.94 118.16 116.47 3c4j n LYS 107 Ca 0.17 0.46 -0.33 0.00 -2.87 0.00 0.00 58.31 55.74 3c4j n LYS 107 Cb 0.41 -4.94 -0.07 0.00 -1.84 0.00 0.00 35.03 28.60 3c4j n LYS 107 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3c4j s TRP 108 N -3.62 3.31 0.38 2.13 0.52 -0.97 -5.00 118.94 115.69 3c4j s TRP 108 Ca 0.33 1.60 -0.24 0.00 0.02 0.00 0.00 56.10 57.81 3c4j s TRP 108 Cb -0.17 -2.85 -0.10 0.00 -1.15 0.00 0.00 33.47 29.19 3c4j s TRP 108 CO 0.88 -0.15 0.97 -1.25 0.02 0.00 0.00 176.95 177.41 3c4j s PRO 109 N -3.26 4.36 0.23 4.98 0.04 -1.26 -4.60 135.00 135.50 3c4j s PRO 109 Ca 0.62 1.28 -0.10 0.00 0.04 0.00 0.00 61.00 62.84 3c4j s PRO 109 Cb -0.09 -2.51 0.34 0.00 0.04 0.00 0.00 34.50 32.27 3c4j s PRO 109 CO 0.15 0.08 1.63 -0.09 0.04 0.00 0.00 177.00 178.81 3c4j h ARG 110 N 2.56 0.06 -0.65 4.56 2.43 -1.99 -1.18 114.38 120.16 3c4j h ARG 110 Ca -0.48 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.70 3c4j h ARG 110 Cb 1.19 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 3c4j h ARG 110 CO 0.63 0.04 0.43 0.93 -1.51 0.00 0.00 179.97 180.48 3c4j h GLU 111 N 0.06 0.84 0.04 0.20 3.07 -1.99 -0.20 114.58 116.61 3c4j h GLU 111 Ca 0.36 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.17 3c4j h GLU 111 Cb 0.59 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3c4j h GLU 111 CO -0.66 0.56 -0.02 0.87 -1.40 0.00 0.00 179.01 178.36 3c4j h LYS 112 N 0.87 -0.05 -0.74 2.33 1.57 -1.65 -1.54 116.57 117.36 3c4j h LYS 112 Ca 0.24 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 3c4j h LYS 112 Cb -0.09 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3c4j h LYS 112 CO -0.06 0.06 0.37 0.00 -0.57 0.00 0.00 179.45 179.24 3c4j h ALA 113 N 0.81 0.95 -0.11 3.86 0.00 -1.07 -2.45 119.26 121.25 3c4j h ALA 113 Ca -0.01 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3c4j h ALA 113 Cb 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3c4j h ALA 113 CO 0.01 0.50 -0.51 0.93 0.00 0.00 0.00 179.25 180.18 3c4j h GLU 114 N 1.03 0.29 -0.47 0.00 5.08 -1.04 -1.20 114.58 118.26 3c4j h GLU 114 Ca 0.25 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3c4j h GLU 114 Cb 0.10 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3c4j h GLU 114 CO -0.03 0.73 0.29 0.00 -1.00 0.00 0.00 179.01 179.00 3c4j h ALA 115 N 1.24 0.60 -0.01 3.43 0.00 -1.03 -1.06 119.26 122.43 3c4j h ALA 115 Ca 0.01 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 3c4j h ALA 115 Cb 0.98 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3c4j h ALA 115 CO 0.08 0.08 -0.67 0.87 0.00 0.00 0.00 179.25 179.61 3c4j h LYS 116 N 0.63 0.06 -0.36 0.00 1.79 -1.34 -2.68 116.57 114.67 3c4j h LYS 116 Ca 0.17 -0.05 -0.16 0.00 -2.18 0.00 0.00 60.65 58.43 3c4j h LYS 116 Cb -0.02 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 3c4j h LYS 116 CO -0.03 0.71 -0.41 0.00 -1.08 0.00 0.00 179.45 178.63 3c4j h ALA 117 N 1.28 0.58 -0.20 3.86 0.00 -1.02 -1.51 119.26 122.24 3c4j h ALA 117 Ca -0.01 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 3c4j h ALA 117 Cb 1.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3c4j h ALA 117 CO 0.09 0.68 -0.22 0.52 0.00 0.00 0.00 179.25 180.32 3c4j h MET 118 N 0.73 0.37 -0.50 0.00 2.86 -1.21 -1.12 114.93 116.06 3c4j h MET 118 Ca 0.05 -0.12 -0.11 0.00 -2.06 0.00 0.00 59.70 57.46 3c4j h MET 118 Cb 1.00 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 3c4j h MET 118 CO 0.10 0.58 -0.12 1.49 1.06 0.00 0.00 176.91 180.02 3c4j h GLU 119 N 0.33 0.93 -0.02 1.72 4.81 -1.25 -0.91 114.58 120.19 3c4j h GLU 119 Ca 0.05 -0.33 -0.24 0.00 -0.13 0.00 0.00 59.36 58.71 3c4j h GLU 119 Cb 0.58 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.91 3c4j h GLU 119 CO 0.04 0.99 -0.95 -0.07 -0.73 0.00 0.00 179.01 178.28 3c4j h LEU 120 N 0.83 0.70 -1.02 1.64 3.38 -1.08 -2.33 115.31 117.41 3c4j h LEU 120 Ca 0.13 -0.54 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 3c4j h LEU 120 Cb 0.65 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3c4j h LEU 120 CO 0.05 1.34 0.22 -0.07 0.09 0.00 0.00 178.44 180.06 3c4j h LEU 121 N 0.32 0.85 -0.24 1.67 3.38 -1.17 -1.70 115.31 118.42 3c4j h LEU 121 Ca -0.09 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3c4j h LEU 121 Cb 1.59 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 3c4j h LEU 121 CO 0.18 0.78 0.13 -0.78 0.09 0.00 0.00 178.44 178.84 3c4j h ASP 122 N 0.90 0.20 -0.49 -0.43 1.82 -1.14 0.60 116.42 117.89 3c4j h ASP 122 Ca 0.21 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.85 3c4j h ASP 122 Cb 0.22 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 3c4j h ASP 122 CO -0.01 0.15 0.30 0.50 -1.61 0.00 0.00 179.24 178.57 3c4j h LYS 123 N 0.27 0.67 -0.01 0.28 3.64 -0.92 -2.22 116.57 118.29 3c4j h LYS 123 Ca 0.09 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3c4j h LYS 123 Cb 0.01 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3c4j h LYS 123 CO -0.05 0.48 -0.44 1.33 -2.27 0.00 0.00 179.45 178.50 3c4j n VAL 124 N -4.43 0.00 -1.35 2.00 0.24 -0.68 -4.97 118.33 109.13 3c4j n VAL 124 Ca 0.04 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 3c4j n VAL 124 Cb 0.08 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 3c4j n VAL 124 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3c4j n GLY 125 N 1.42 0.96 2.80 7.63 0.00 -0.40 -5.01 105.19 112.59 3c4j n GLY 125 Ca 0.09 -0.53 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 3c4j n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3c4j n LEU 126 N -0.08 1.14 0.17 0.99 4.77 0.20 -4.85 117.00 119.34 3c4j n LEU 126 Ca 0.00 -3.14 0.01 0.00 -0.03 0.00 0.00 56.01 52.86 3c4j n LEU 126 Cb 0.32 0.42 0.29 0.00 -2.33 0.00 0.00 43.42 42.12 3c4j n LEU 126 CO 0.00 1.19 0.64 0.07 -1.33 0.00 0.00 177.39 177.96 3c4j h LYS 127 N 2.46 0.00 -0.31 3.23 -0.00 -1.84 -2.91 116.57 117.20 3c4j h LYS 127 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.48 3c4j h LYS 127 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.49 3c4j h LYS 127 CO 0.17 0.46 0.00 -0.40 -0.00 0.00 0.00 179.45 179.68 3c4j n ASP 128 N -3.93 0.31 -0.07 7.07 3.85 -1.26 -2.64 116.55 119.88 3c4j n ASP 128 Ca -0.01 -1.60 0.01 0.00 -0.71 0.00 0.00 54.79 52.48 3c4j n ASP 128 Cb 0.49 -0.16 0.01 0.00 -1.35 0.00 0.00 41.12 40.12 3c4j n ASP 128 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3c4j n LYS 129 N -0.27 1.19 -0.33 0.11 4.76 -1.10 -4.87 118.16 117.66 3c4j n LYS 129 Ca 0.00 -1.12 0.08 0.00 -2.87 0.00 0.00 58.31 54.40 3c4j n LYS 129 Cb 0.08 -0.78 0.24 0.00 -1.84 0.00 0.00 35.03 32.73 3c4j n LYS 129 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3c4j h ALA 130 N 0.00 1.41 -0.02 7.82 0.00 -1.62 -2.03 119.26 124.82 3c4j h ALA 130 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3c4j h ALA 130 Cb 0.87 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3c4j h ALA 130 CO 0.00 0.04 -0.39 0.72 0.00 0.00 0.00 179.25 179.62 3c4j n HIS 131 N -4.76 0.00 -1.16 0.00 8.25 -1.26 -0.15 115.22 116.14 3c4j n HIS 131 Ca 0.18 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.33 3c4j n HIS 131 Cb 0.41 -0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.63 3c4j n HIS 131 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3c4j s ALA 132 N -2.39 2.00 0.06 -1.41 0.00 -0.76 -4.69 121.76 114.57 3c4j s ALA 132 Ca 0.20 0.51 -0.02 0.00 0.00 0.00 0.00 51.96 52.65 3c4j s ALA 132 Cb 0.18 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 3c4j s ALA 132 CO 0.52 -2.06 0.25 0.71 0.00 0.00 0.00 175.76 175.18 3c4j s TYR 133 N -2.60 3.52 0.51 0.00 2.02 -1.26 -0.37 117.35 119.17 3c4j s TYR 133 Ca 0.66 0.36 0.37 0.00 -0.37 0.00 0.00 57.07 58.09 3c4j s TYR 133 Cb -0.21 -1.85 1.52 0.00 -0.40 0.00 0.00 41.96 41.02 3c4j s TYR 133 CO 0.53 0.57 1.72 -1.35 -1.57 0.00 0.00 175.55 175.45 3c4j h PRO 134 N 3.22 0.06 0.00 -1.71 0.11 -1.79 0.44 132.00 132.34 3c4j h PRO 134 Ca -0.46 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3c4j h PRO 134 Cb 1.17 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3c4j h PRO 134 CO 0.73 0.04 -0.16 0.38 -0.21 0.00 0.00 178.00 178.78 3c4j h ASP 135 N 0.07 0.00 1.39 -2.05 2.03 -1.95 -1.96 116.42 113.95 3c4j h ASP 135 Ca 0.70 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 57.00 3c4j h ASP 135 Cb 2.58 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 41.08 3c4j h ASP 135 CO -0.11 0.16 0.00 0.77 -1.03 0.00 0.00 179.24 179.03 3c4j h SER 136 N 0.00 0.00 -3.27 4.15 4.64 -1.30 -3.46 113.55 114.31 3c4j h SER 136 Ca -0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 3c4j h SER 136 Cb 0.40 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.45 3c4j h SER 136 CO 0.02 0.00 -0.07 -0.76 -0.87 0.00 0.00 176.83 175.15 3c4j s LEU 137 N -4.66 4.42 0.80 5.97 1.43 -0.74 -5.05 118.68 120.86 3c4j s LEU 137 Ca 0.09 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.23 3c4j s LEU 137 Cb 0.11 -3.08 0.07 0.00 0.03 0.00 0.00 46.19 43.33 3c4j s LEU 137 CO 0.57 0.19 1.09 -0.94 0.23 0.00 0.00 176.35 177.49 3c4j s SER 138 N -1.42 4.46 0.27 2.29 1.04 -1.26 -4.77 113.70 114.31 3c4j s SER 138 Ca 0.33 1.35 -0.02 0.00 0.48 0.00 0.00 55.95 58.10 3c4j s SER 138 Cb -0.17 -2.09 0.44 0.00 0.10 0.00 0.00 66.02 64.30 3c4j s SER 138 CO 0.19 -2.00 1.86 1.23 0.98 0.00 0.00 173.24 175.51 3c4j h GLY 139 N -1.11 1.54 1.44 7.32 0.00 -1.98 0.42 103.07 110.71 3c4j h GLY 139 Ca -0.47 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.31 3c4j h GLY 139 CO 0.58 0.27 -0.20 -1.33 0.00 0.00 0.00 176.54 175.87 3c4j h GLY 140 N 1.10 0.71 1.19 4.60 0.00 -1.94 -1.45 103.07 107.28 3c4j h GLY 140 Ca 0.45 -0.57 -0.23 0.00 0.00 0.00 0.00 47.33 46.98 3c4j h GLY 140 CO -0.20 0.52 -0.82 1.46 0.00 0.00 0.00 176.54 177.49 3c4j h GLN 141 N 0.58 0.78 -0.51 4.80 4.20 -1.64 -2.69 115.11 120.63 3c4j h GLN 141 Ca 0.09 -0.67 -0.01 0.00 0.06 0.00 0.00 58.65 58.11 3c4j h GLN 141 Cb 0.66 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.57 3c4j h GLN 141 CO 0.05 1.27 0.26 0.00 -0.67 0.00 0.00 178.83 179.74 3c4j h ALA 142 N 0.53 0.65 -0.18 3.87 0.00 -0.10 -1.96 119.26 122.07 3c4j h ALA 142 Ca -0.07 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3c4j h ALA 142 Cb 1.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3c4j h ALA 142 CO 0.17 0.19 -0.30 1.96 0.00 0.00 0.00 179.25 181.27 3c4j h GLN 143 N 0.67 0.35 0.00 0.00 1.08 -1.32 -0.96 115.11 114.93 3c4j h GLN 143 Ca 0.18 -0.14 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 3c4j h GLN 143 Cb 0.08 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3c4j h GLN 143 CO -0.03 0.62 -0.32 0.00 -0.95 0.00 0.00 178.83 178.15 3c4j h ARG 144 N 0.31 0.00 0.07 1.46 3.08 -1.30 -2.33 114.38 115.67 3c4j h ARG 144 Ca 0.04 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.83 3c4j h ARG 144 Cb 0.68 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.75 3c4j h ARG 144 CO 0.05 0.32 -1.12 0.28 -1.07 0.00 0.00 179.97 178.43 3c4j h VAL 145 N 0.00 1.37 -0.60 2.04 2.07 -0.73 -2.48 116.25 117.92 3c4j h VAL 145 Ca -0.00 -2.55 0.06 0.00 0.82 0.00 0.00 66.70 65.03 3c4j h VAL 145 Cb 0.68 2.62 -0.06 0.00 -1.52 0.00 0.00 31.29 33.01 3c4j h VAL 145 CO 0.04 0.77 0.30 0.00 0.02 0.00 0.00 177.57 178.69 3c4j h ALA 146 N 0.52 0.79 0.50 1.67 0.00 -1.07 0.33 119.26 122.00 3c4j h ALA 146 Ca -0.13 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3c4j h ALA 146 Cb 1.78 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3c4j h ALA 146 CO 0.20 -0.07 -0.24 0.82 0.00 0.00 0.00 179.25 179.97 3c4j h ILE 147 N 0.55 0.51 -0.99 0.00 2.04 -1.43 -1.81 117.51 116.38 3c4j h ILE 147 Ca 0.28 -0.01 0.17 0.00 1.00 0.00 0.00 64.86 66.30 3c4j h ILE 147 Cb 0.23 0.51 -0.09 0.00 -0.74 0.00 0.00 36.82 36.72 3c4j h ILE 147 CO -0.21 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.56 3c4j h ALA 148 N -0.17 1.71 -0.17 1.87 0.00 -1.06 0.14 119.26 121.58 3c4j h ALA 148 Ca -0.07 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3c4j h ALA 148 Cb 0.52 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3c4j h ALA 148 CO 0.11 -0.04 -0.06 0.00 0.00 0.00 0.00 179.25 179.26 3c4j h ARG 149 N 0.77 -0.03 -0.48 0.00 3.08 -0.02 -2.55 114.38 115.15 3c4j h ARG 149 Ca 0.54 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.47 3c4j h ARG 149 Cb 0.82 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 3c4j h ARG 149 CO -0.32 -0.02 -0.19 0.00 -1.07 0.00 0.00 179.97 178.38 3c4j h ALA 150 N 1.13 0.67 0.00 0.04 0.00 -0.24 -2.99 119.26 117.87 3c4j h ALA 150 Ca 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3c4j h ALA 150 Cb 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3c4j h ALA 150 CO -0.20 0.64 -0.03 -0.07 0.00 0.00 0.00 179.25 179.58 3c4j h LEU 151 N 0.83 0.00 -1.19 0.00 3.38 -0.91 -3.01 115.31 114.39 3c4j h LEU 151 Ca 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3c4j h LEU 151 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3c4j h LEU 151 CO 0.06 0.03 -0.37 0.00 0.09 0.00 0.00 178.44 178.26 3c4j h ALA 152 N 1.97 1.20 0.00 1.53 0.00 -1.30 0.13 119.26 122.79 3c4j h ALA 152 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3c4j h ALA 152 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3c4j h ALA 152 CO 0.00 0.46 0.00 -1.33 0.00 0.00 0.00 179.25 178.39 3c4j n MET 153 N -3.82 0.54 -3.19 0.00 2.81 -1.14 -4.80 117.12 107.53 3c4j n MET 153 Ca -0.01 0.03 -0.19 0.00 -1.81 0.00 0.00 57.70 55.72 3c4j n MET 153 Cb 0.44 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.46 3c4j n MET 153 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 3c4j n GLU 154 N -1.11 -1.10 -1.71 0.03 0.28 0.47 -4.92 120.64 112.57 3c4j n GLU 154 Ca 0.14 0.62 -0.29 0.00 -0.16 0.00 0.00 57.16 57.47 3c4j n GLU 154 Cb 0.11 -1.43 0.10 0.00 1.43 0.00 0.00 31.44 31.65 3c4j n GLU 154 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3c4j s PRO 155 N -3.35 1.86 0.01 3.44 0.04 -1.26 -4.96 135.00 130.77 3c4j s PRO 155 Ca 0.07 0.33 0.16 0.00 0.04 0.00 0.00 61.00 61.60 3c4j s PRO 155 Cb -0.01 -1.92 -0.18 0.00 0.04 0.00 0.00 34.50 32.43 3c4j s PRO 155 CO 0.60 -1.71 0.71 1.63 0.04 0.00 0.00 177.00 178.26 3c4j n LYS 156 N -3.44 0.63 -4.78 4.56 4.76 0.13 -4.91 118.16 115.11 3c4j n LYS 156 Ca 0.07 0.22 -0.26 0.00 -2.87 0.00 0.00 58.31 55.47 3c4j n LYS 156 Cb 0.59 -1.77 -0.15 0.00 -1.84 0.00 0.00 35.03 31.86 3c4j n LYS 156 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3c4j s ILE 157 N -2.81 1.58 -0.20 -0.18 1.01 -0.95 -3.87 121.20 115.78 3c4j s ILE 157 Ca -0.04 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.61 3c4j s ILE 157 Cb 0.08 -1.35 0.03 0.00 0.01 0.00 0.00 42.46 41.24 3c4j s ILE 157 CO 0.82 0.31 -0.17 -0.04 0.00 0.00 0.00 174.94 175.86 3c4j s MET 158 N -0.82 2.85 -0.08 2.79 -1.94 -0.18 -0.27 119.30 121.66 3c4j s MET 158 Ca 0.07 -0.93 -0.13 0.00 -1.71 0.00 0.00 55.69 52.99 3c4j s MET 158 Cb -0.08 -2.68 -0.05 0.00 2.01 0.00 0.00 34.83 34.03 3c4j s MET 158 CO 0.01 -0.29 0.32 -0.51 -0.01 0.00 0.00 175.02 174.53 3c4j s LEU 159 N 1.26 4.38 -0.18 -0.03 1.43 0.24 -1.93 118.68 123.86 3c4j s LEU 159 Ca 0.02 0.71 -0.00 0.00 -1.03 0.00 0.00 54.13 53.83 3c4j s LEU 159 Cb -0.15 -2.41 0.04 0.00 0.03 0.00 0.00 46.19 43.70 3c4j s LEU 159 CO -0.10 0.27 -0.07 -0.36 0.23 0.00 0.00 176.35 176.31 3c4j s PHE 160 N -0.55 1.94 -0.55 0.29 0.08 0.34 -0.63 117.98 118.92 3c4j s PHE 160 Ca 0.20 -1.25 -0.10 0.00 0.12 0.00 0.00 56.93 55.89 3c4j s PHE 160 Cb -0.14 -1.43 0.14 0.00 -0.57 0.00 0.00 43.02 41.02 3c4j s PHE 160 CO 0.08 -0.66 0.44 0.34 -0.10 0.00 0.00 175.22 175.32 3c4j s ASP 161 N 1.55 5.89 -1.31 1.36 -1.08 0.07 0.39 116.67 123.54 3c4j s ASP 161 Ca 0.00 -2.09 -0.22 0.00 -0.52 0.00 0.00 52.55 49.72 3c4j s ASP 161 Cb -0.15 -2.06 0.03 0.00 -1.46 0.00 0.00 42.92 39.27 3c4j s ASP 161 CO -0.08 -0.68 0.50 -0.62 0.52 0.00 0.00 175.17 174.81 3c4j n GLU 162 N 4.70 -0.72 0.30 4.34 1.02 0.12 -1.85 120.64 128.55 3c4j n GLU 162 Ca -0.04 0.13 0.20 0.00 -0.02 0.00 0.00 57.16 57.43 3c4j n GLU 162 Cb 0.41 -3.08 0.97 0.00 -0.02 0.00 0.00 31.44 29.72 3c4j n GLU 162 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3c4j h PRO 163 N -2.31 0.00 -0.05 3.49 0.13 -1.78 -2.70 132.00 128.78 3c4j h PRO 163 Ca -0.69 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 3c4j h PRO 163 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 3c4j h PRO 163 CO 0.57 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.59 3c4j n THR 164 N -3.03 0.13 -0.02 1.56 -2.24 -1.26 -4.70 114.28 104.72 3c4j n THR 164 Ca -0.01 -0.57 -0.04 0.00 -2.27 0.00 0.00 64.05 61.16 3c4j n THR 164 Cb 0.17 1.12 0.20 0.00 -2.10 0.00 0.00 70.33 69.71 3c4j n THR 164 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3c4j h SER 165 N 2.00 0.57 0.51 3.42 0.02 -1.81 -2.70 113.55 115.56 3c4j h SER 165 Ca 0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3c4j h SER 165 Cb 0.47 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3c4j h SER 165 CO 0.00 0.75 -0.20 0.00 -1.14 0.00 0.00 176.83 176.24 3c4j n ALA 166 N -2.48 2.90 -2.33 3.77 0.00 -1.26 -4.92 120.51 116.18 3c4j n ALA 166 Ca 0.00 -0.27 -0.32 0.00 0.00 0.00 0.00 53.44 52.86 3c4j n ALA 166 Cb 0.37 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 3c4j n ALA 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3c4j s LEU 167 N -2.71 4.12 0.56 0.00 1.43 -1.02 -5.07 118.68 115.99 3c4j s LEU 167 Ca 0.21 1.03 -0.20 0.00 -1.03 0.00 0.00 54.13 54.14 3c4j s LEU 167 Cb 0.19 -3.81 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 3c4j s LEU 167 CO 0.55 -0.12 1.26 -1.81 0.23 0.00 0.00 176.35 176.45 3c4j s ASP 168 N -2.37 5.34 0.51 2.29 1.01 -1.26 -4.85 116.67 117.33 3c4j s ASP 168 Ca 0.49 2.52 0.25 0.00 0.71 0.00 0.00 52.55 56.52 3c4j s ASP 168 Cb -0.11 -2.61 1.35 0.00 1.01 0.00 0.00 42.92 42.56 3c4j s ASP 168 CO 0.20 -1.50 1.97 1.55 0.21 0.00 0.00 175.17 177.60 3c4j h PRO 169 N 1.25 0.07 0.00 8.23 0.13 -1.97 0.21 132.00 139.91 3c4j h PRO 169 Ca -0.50 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3c4j h PRO 169 Cb 1.29 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3c4j h PRO 169 CO 0.56 0.05 0.00 -0.85 -0.23 0.00 0.00 178.00 177.53 3c4j n GLU 170 N -4.38 0.04 0.00 0.86 0.28 -1.26 -3.03 120.64 113.15 3c4j n GLU 170 Ca 0.12 0.26 0.06 0.00 -0.16 0.00 0.00 57.16 57.44 3c4j n GLU 170 Cb 0.65 -1.57 -0.05 0.00 1.43 0.00 0.00 31.44 31.90 3c4j n GLU 170 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3c4j n MET 171 N -1.64 2.88 0.21 3.44 2.81 0.72 -4.73 117.12 120.81 3c4j n MET 171 Ca 0.04 -0.16 -0.13 0.00 -1.81 0.00 0.00 57.70 55.63 3c4j n MET 171 Cb 0.20 -1.07 -0.07 0.00 -0.71 0.00 0.00 33.22 31.56 3c4j n MET 171 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3c4j h VAL 172 N 0.33 0.42 0.00 2.03 2.07 -1.43 -3.29 116.25 116.38 3c4j h VAL 172 Ca 0.00 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3c4j h VAL 172 Cb 0.31 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3c4j h VAL 172 CO 0.00 0.08 -0.04 1.23 0.02 0.00 0.00 177.57 178.86 3c4j h GLY 173 N -0.96 0.00 0.33 2.17 0.00 -1.85 -1.52 103.07 101.25 3c4j h GLY 173 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.34 3c4j h GLY 173 CO 0.10 0.00 -0.10 -2.09 0.00 0.00 0.00 176.54 174.44 3c4j h GLU 174 N 0.00 -0.04 0.19 4.80 4.81 -1.86 -1.20 114.58 121.28 3c4j h GLU 174 Ca -0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 3c4j h GLU 174 Cb 0.13 0.01 0.03 0.00 0.63 0.00 0.00 28.75 29.55 3c4j h GLU 174 CO 0.01 -0.03 -1.36 0.28 -0.73 0.00 0.00 179.01 177.17 3c4j h VAL 175 N -0.04 1.35 -0.27 0.32 2.07 -1.41 -3.28 116.25 114.99 3c4j h VAL 175 Ca 0.15 -2.77 -0.02 0.00 0.82 0.00 0.00 66.70 64.88 3c4j h VAL 175 Cb 0.27 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 3c4j h VAL 175 CO -0.34 0.83 0.10 -0.07 0.02 0.00 0.00 177.57 178.11 3c4j h LEU 176 N 0.15 0.33 -0.66 2.57 3.38 -1.33 -1.81 115.31 117.94 3c4j h LEU 176 Ca -0.21 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 3c4j h LEU 176 Cb 2.06 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.71 3c4j h LEU 176 CO 0.25 0.32 -0.64 0.77 0.09 0.00 0.00 178.44 179.23 3c4j h SER 177 N 0.37 0.00 -0.18 -0.43 4.64 -1.30 0.27 113.55 116.93 3c4j h SER 177 Ca 0.09 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.32 3c4j h SER 177 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3c4j h SER 177 CO -0.01 0.64 -0.27 0.58 -0.87 0.00 0.00 176.83 176.89 3c4j h VAL 178 N 0.00 1.34 -0.67 0.95 2.07 -1.50 -0.84 116.25 117.60 3c4j h VAL 178 Ca -0.01 -1.49 -0.07 0.00 0.82 0.00 0.00 66.70 65.96 3c4j h VAL 178 Cb 1.17 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.79 3c4j h VAL 178 CO 0.08 0.45 0.16 0.24 0.02 0.00 0.00 177.57 178.53 3c4j h MET 179 N 0.15 1.08 -0.17 1.57 2.07 -1.28 -0.84 114.93 117.51 3c4j h MET 179 Ca 0.02 -0.26 0.01 0.00 -2.07 0.00 0.00 59.70 57.40 3c4j h MET 179 Cb 0.85 -0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 30.42 3c4j h MET 179 CO 0.06 0.96 0.06 -0.22 1.07 0.00 0.00 176.91 178.85 3c4j h LYS 180 N 1.00 0.14 -0.68 1.72 3.64 -0.44 -1.51 116.57 120.45 3c4j h LYS 180 Ca 0.21 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3c4j h LYS 180 Cb 0.37 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 3c4j h LYS 180 CO 0.00 0.09 0.43 0.37 -2.27 0.00 0.00 179.45 178.08 3c4j h GLN 181 N 0.15 0.91 -0.38 1.90 4.15 -1.01 -2.59 115.11 118.24 3c4j h GLN 181 Ca 0.07 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.33 3c4j h GLN 181 Cb 0.04 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 3c4j h GLN 181 CO -0.07 0.62 -0.15 1.25 -1.93 0.00 0.00 178.83 178.56 3c4j h LEU 182 N 0.93 0.68 -0.50 -2.39 5.85 -0.55 -2.65 115.31 116.68 3c4j h LEU 182 Ca 0.25 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3c4j h LEU 182 Cb -0.07 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3c4j h LEU 182 CO -0.05 0.85 0.07 0.00 -0.34 0.00 0.00 178.44 178.96 3c4j h ALA 183 N 1.22 0.67 0.00 1.25 0.00 -1.01 -2.93 119.26 118.46 3c4j h ALA 183 Ca 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3c4j h ALA 183 Cb 0.60 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3c4j h ALA 183 CO 0.04 0.42 0.00 0.09 0.00 0.00 0.00 179.25 179.80 3c4j n ASN 184 N -4.39 0.14 -1.03 0.00 3.02 -1.00 -1.76 115.26 110.23 3c4j n ASN 184 Ca 0.01 0.56 0.08 0.00 -0.03 0.00 0.00 54.58 55.20 3c4j n ASN 184 Cb 0.27 -0.58 0.28 0.00 -0.61 0.00 0.00 39.78 39.14 3c4j n ASN 184 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3c4j n GLU 185 N -1.68 3.22 -2.38 3.52 1.02 -1.11 -4.97 120.64 118.27 3c4j n GLU 185 Ca 0.00 -2.85 -0.09 0.00 -0.02 0.00 0.00 57.16 54.21 3c4j n GLU 185 Cb 0.04 -1.88 0.01 0.00 -0.02 0.00 0.00 31.44 29.59 3c4j n GLU 185 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3c4j n GLY 186 N -0.27 0.13 3.71 0.62 0.00 -0.72 -5.01 105.19 103.64 3c4j n GLY 186 Ca 0.22 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 3c4j n GLY 186 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3c4j s MET 187 N -4.72 4.40 -0.24 1.61 0.00 -1.20 -4.17 119.30 114.98 3c4j s MET 187 Ca 0.07 0.80 -0.29 0.00 0.00 0.00 0.00 55.69 56.26 3c4j s MET 187 Cb -0.03 -3.46 -0.03 0.00 0.00 0.00 0.00 34.83 31.32 3c4j s MET 187 CO 0.08 0.05 1.65 0.99 0.00 0.00 0.00 175.02 177.79 3c4j s THR 188 N 0.89 3.64 -0.04 10.11 2.01 -1.25 -4.39 115.64 126.62 3c4j s THR 188 Ca 0.35 0.72 0.05 0.00 0.31 0.00 0.00 61.69 63.12 3c4j s THR 188 Cb -0.17 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 3c4j s THR 188 CO 0.16 -0.31 -0.19 -0.04 -0.69 0.00 0.00 174.62 173.55 3c4j s MET 189 N 4.85 1.84 -0.24 4.92 1.00 -0.86 -1.01 119.30 129.80 3c4j s MET 189 Ca 0.73 -0.67 -0.02 0.00 0.00 0.00 0.00 55.69 55.73 3c4j s MET 189 Cb -0.25 -1.63 0.02 0.00 0.00 0.00 0.00 34.83 32.97 3c4j s MET 189 CO 0.30 0.31 -0.07 0.08 0.00 0.00 0.00 175.02 175.64 3c4j s VAL 190 N -0.12 2.85 -0.24 -6.03 1.01 -0.81 -0.70 120.40 116.36 3c4j s VAL 190 Ca -0.01 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.02 3c4j s VAL 190 Cb -0.11 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 33.90 3c4j s VAL 190 CO 0.02 0.25 -0.11 -0.69 0.00 0.00 0.00 175.10 174.57 3c4j s VAL 191 N 1.34 2.44 -0.17 2.92 1.01 -0.23 -0.50 120.40 127.21 3c4j s VAL 191 Ca 0.01 -1.20 -0.23 0.00 0.00 0.00 0.00 61.98 60.56 3c4j s VAL 191 Cb -0.16 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 3c4j s VAL 191 CO -0.05 0.21 0.72 -0.69 0.00 0.00 0.00 175.10 175.28 3c4j s VAL 192 N 1.24 4.97 0.08 2.92 1.01 0.16 0.07 120.40 130.86 3c4j s VAL 192 Ca -0.02 1.39 -0.19 0.00 0.00 0.00 0.00 61.98 63.17 3c4j s VAL 192 Cb -0.17 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.22 3c4j s VAL 192 CO -0.07 0.10 0.44 0.28 0.00 0.00 0.00 175.10 175.86 3c4j s THR 193 N 1.83 0.05 -0.88 3.92 -1.32 -0.87 -0.71 115.64 117.66 3c4j s THR 193 Ca 0.34 -0.43 0.10 0.00 -1.21 0.00 0.00 61.69 60.48 3c4j s THR 193 Cb -0.16 -1.04 -0.00 0.00 -1.51 0.00 0.00 72.50 69.78 3c4j s THR 193 CO 0.12 -0.24 0.62 1.41 -2.21 0.00 0.00 174.62 174.32 3c4j n HIS 194 N 0.16 0.00 -2.56 9.09 8.25 -1.26 -4.48 115.22 124.41 3c4j n HIS 194 Ca -0.17 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.88 3c4j n HIS 194 Cb 0.62 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.70 3c4j n HIS 194 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3c4j s GLU 195 N -1.33 3.28 0.37 -0.41 0.41 -1.26 -4.25 118.70 115.51 3c4j s GLU 195 Ca 0.08 -0.45 0.20 0.00 -0.41 0.00 0.00 54.97 54.39 3c4j s GLU 195 Cb 0.08 -4.44 0.49 0.00 -1.78 0.00 0.00 34.13 28.48 3c4j s GLU 195 CO 0.24 -2.16 1.64 0.52 -0.49 0.00 0.00 175.26 175.02 3c4j h MET 196 N 9.97 0.00 -0.15 1.61 2.86 -1.91 -2.95 114.93 124.36 3c4j h MET 196 Ca -0.17 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.36 3c4j h MET 196 Cb 1.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 3c4j h MET 196 CO 1.31 0.34 -0.35 0.78 1.06 0.00 0.00 176.91 180.05 3c4j h GLY 197 N 2.81 0.34 0.67 8.32 0.00 -1.98 -1.42 103.07 111.81 3c4j h GLY 197 Ca -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3c4j h GLY 197 CO 0.04 0.28 -0.01 -2.75 0.00 0.00 0.00 176.54 174.11 3c4j h PHE 198 N 0.27 -0.02 -0.22 5.60 3.57 -1.94 -2.11 116.94 122.09 3c4j h PHE 198 Ca 0.03 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.59 3c4j h PHE 198 Cb 0.75 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.43 3c4j h PHE 198 CO 0.02 0.31 -0.32 0.00 -2.23 0.00 0.00 178.31 176.09 3c4j h ALA 199 N 0.64 -0.31 -0.54 2.41 0.00 -1.37 0.35 119.26 120.44 3c4j h ALA 199 Ca -0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3c4j h ALA 199 Cb 0.33 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3c4j h ALA 199 CO 0.00 -0.77 0.11 -0.09 0.00 0.00 0.00 179.25 178.50 3c4j h ARG 200 N -0.35 0.87 -0.31 0.00 2.43 -1.35 0.58 114.38 116.26 3c4j h ARG 200 Ca 0.12 -0.22 -0.14 0.00 -0.81 0.00 0.00 59.98 58.93 3c4j h ARG 200 Cb 0.54 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3c4j h ARG 200 CO -0.41 0.83 -0.37 1.49 -1.51 0.00 0.00 179.97 179.99 3c4j h GLU 201 N 0.76 0.71 0.00 0.20 4.81 -0.92 -3.40 114.58 116.74 3c4j h GLU 201 Ca 0.17 -0.36 -0.09 0.00 -0.13 0.00 0.00 59.36 58.95 3c4j h GLU 201 Cb 0.37 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 3c4j h GLU 201 CO 0.01 0.97 -1.33 0.28 -0.73 0.00 0.00 179.01 178.20 3c4j n VAL 202 N -4.05 0.33 -2.18 0.32 0.31 0.12 -5.05 118.33 108.13 3c4j n VAL 202 Ca -0.02 -0.13 -0.39 0.00 -0.01 0.00 0.00 64.34 63.79 3c4j n VAL 202 Cb 0.52 -0.74 -0.02 0.00 -0.91 0.00 0.00 33.84 32.69 3c4j n VAL 202 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3c4j s GLY 203 N -4.58 2.94 -0.01 2.92 0.00 0.19 -4.86 107.32 103.92 3c4j s GLY 203 Ca -0.08 1.13 -0.10 0.00 0.00 0.00 0.00 44.72 45.66 3c4j s GLY 203 CO 0.13 1.71 0.82 -0.55 0.00 0.00 0.00 173.10 175.21 3c4j h ASP 204 N 2.92 0.63 -4.83 1.64 3.32 -0.32 -3.43 116.42 116.36 3c4j h ASP 204 Ca -0.49 -0.83 -0.23 0.00 0.02 0.00 0.00 57.03 55.50 3c4j h ASP 204 Cb 1.23 -0.21 -0.20 0.00 0.22 0.00 0.00 39.33 40.38 3c4j h ASP 204 CO 0.64 1.68 -0.72 -0.13 -1.72 0.00 0.00 179.24 178.99 3c4j s ARG 205 N -2.60 0.50 -0.12 3.56 0.52 -1.18 -4.36 118.95 115.28 3c4j s ARG 205 Ca -0.12 -0.79 0.01 0.00 -0.52 0.00 0.00 55.73 54.31 3c4j s ARG 205 Cb 0.05 -0.15 -0.01 0.00 0.52 0.00 0.00 34.95 35.36 3c4j s ARG 205 CO 0.88 0.01 -0.17 0.08 0.02 0.00 0.00 175.30 176.13 3c4j s VAL 206 N -1.73 2.74 -0.23 3.52 1.01 -0.21 -0.87 120.40 124.62 3c4j s VAL 206 Ca -0.09 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 3c4j s VAL 206 Cb -0.08 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 3c4j s VAL 206 CO -0.01 0.54 0.02 -0.76 0.00 0.00 0.00 175.10 174.89 3c4j s LEU 207 N 0.32 3.21 -0.41 3.92 1.43 0.99 -2.07 118.68 126.06 3c4j s LEU 207 Ca -0.13 -0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 52.48 3c4j s LEU 207 Cb -0.16 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.23 3c4j s LEU 207 CO 0.07 -0.02 0.71 0.12 0.23 0.00 0.00 176.35 177.45 3c4j s PHE 208 N 1.50 3.08 -0.13 0.29 5.36 0.05 -0.99 117.98 127.13 3c4j s PHE 208 Ca 0.06 0.23 -0.08 0.00 -0.96 0.00 0.00 56.93 56.18 3c4j s PHE 208 Cb -0.15 -3.39 -0.04 0.00 -0.34 0.00 0.00 43.02 39.10 3c4j s PHE 208 CO 0.01 -0.81 0.15 -1.64 -1.46 0.00 0.00 175.22 171.47 3c4j s MET 209 N 2.98 3.63 -0.21 10.12 -1.94 0.45 -0.93 119.30 133.40 3c4j s MET 209 Ca 0.27 -0.12 -0.12 0.00 -1.71 0.00 0.00 55.69 54.01 3c4j s MET 209 Cb -0.13 -3.24 0.07 0.00 2.01 0.00 0.00 34.83 33.53 3c4j s MET 209 CO 0.19 0.67 0.51 0.34 -0.01 0.00 0.00 175.02 176.72 3c4j s ASP 210 N -0.72 -0.67 -1.50 3.03 -1.08 -0.22 -3.97 116.67 111.54 3c4j s ASP 210 Ca 0.14 1.12 0.00 0.00 -0.52 0.00 0.00 52.55 53.29 3c4j s ASP 210 Cb -0.12 1.00 0.00 0.00 -1.46 0.00 0.00 42.92 42.34 3c4j s ASP 210 CO 0.03 -0.21 0.00 0.61 0.52 0.00 0.00 175.17 176.12 3c4j n GLY 211 N 4.24 -0.09 0.13 2.66 0.00 -1.26 -1.92 105.19 108.95 3c4j n GLY 211 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3c4j n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3c4j n GLY 212 N -0.79 0.42 3.53 -0.02 0.00 -1.14 -4.84 105.19 102.35 3c4j n GLY 212 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 3c4j n GLY 212 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3c4j s TYR 213 N -2.07 2.50 -0.40 1.61 2.02 -0.81 -0.85 117.35 119.35 3c4j s TYR 213 Ca 0.00 -0.28 -0.23 0.00 -0.37 0.00 0.00 57.07 56.19 3c4j s TYR 213 Cb 0.00 -1.17 0.02 0.00 -0.40 0.00 0.00 41.96 40.40 3c4j s TYR 213 CO 0.00 0.57 0.79 0.42 -1.57 0.00 0.00 175.55 175.76 3c4j s ILE 214 N -1.98 4.69 -0.12 2.71 1.01 -1.26 -1.06 121.20 125.19 3c4j s ILE 214 Ca 0.26 0.69 0.02 0.00 0.00 0.00 0.00 60.65 61.63 3c4j s ILE 214 Cb -0.07 -4.26 -0.24 0.00 0.01 0.00 0.00 42.46 37.89 3c4j s ILE 214 CO 0.15 -0.56 0.36 -0.38 0.00 0.00 0.00 174.94 174.51 3c4j n ILE 215 N 5.96 1.67 -3.78 2.92 5.41 -0.10 -4.95 119.36 126.48 3c4j n ILE 215 Ca 0.03 -0.71 -0.13 0.00 1.00 0.00 0.00 62.75 62.95 3c4j n ILE 215 Cb 0.48 -1.38 -0.09 0.00 -0.71 0.00 0.00 39.64 37.94 3c4j n ILE 215 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3c4j s GLU 216 N -2.56 0.66 0.24 0.38 2.12 -1.23 -4.99 118.70 113.32 3c4j s GLU 216 Ca -0.17 -0.27 -0.14 0.00 0.36 0.00 0.00 54.97 54.75 3c4j s GLU 216 Cb 0.07 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.75 3c4j s GLU 216 CO 0.77 -0.18 0.49 -1.83 -0.54 0.00 0.00 175.26 173.97 3c4j s GLU 217 N -1.49 1.51 0.00 4.30 -1.05 -1.26 -0.77 118.70 119.93 3c4j s GLU 217 Ca -0.13 -1.17 0.00 0.00 -0.15 0.00 0.00 54.97 53.52 3c4j s GLU 217 Cb -0.05 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 3c4j s GLU 217 CO 0.03 -0.63 0.00 0.41 0.95 0.00 0.00 175.26 176.02 3c4j n GLY 218 N -0.37 0.56 3.48 -3.83 0.00 -0.88 -4.92 105.19 99.23 3c4j n GLY 218 Ca -0.03 -1.84 -0.45 0.00 0.00 0.00 0.00 46.02 43.69 3c4j n GLY 218 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3c4j n LYS 219 N -1.10 0.66 -0.10 1.61 4.76 -1.26 -1.05 118.16 121.68 3c4j n LYS 219 Ca 0.00 0.23 -0.06 0.00 -2.87 0.00 0.00 58.31 55.62 3c4j n LYS 219 Cb 0.00 -1.45 0.01 0.00 -1.84 0.00 0.00 35.03 31.75 3c4j n LYS 219 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3c4j h PRO 220 N 1.30 -0.07 -0.29 1.97 0.11 -1.83 0.88 132.00 134.08 3c4j h PRO 220 Ca -0.36 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.82 3c4j h PRO 220 Cb 1.39 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.46 3c4j h PRO 220 CO 0.57 -0.04 -0.09 1.49 -0.21 0.00 0.00 178.00 179.71 3c4j h GLU 221 N -0.07 -0.02 -0.46 1.05 4.81 -1.90 0.11 114.58 118.10 3c4j h GLU 221 Ca 0.18 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3c4j h GLU 221 Cb 0.34 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 3c4j h GLU 221 CO -0.41 -0.02 0.27 -0.44 -0.73 0.00 0.00 179.01 177.69 3c4j h ASP 222 N -0.02 0.43 -0.06 1.04 3.32 -1.79 -1.22 116.42 118.11 3c4j h ASP 222 Ca 0.14 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 3c4j h ASP 222 Cb 0.24 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3c4j h ASP 222 CO -0.31 0.31 -0.35 0.25 -1.72 0.00 0.00 179.24 177.42 3c4j h LEU 223 N 0.54 0.42 -0.01 1.55 7.12 -0.41 -2.31 115.31 122.21 3c4j h LEU 223 Ca 0.18 -0.66 -0.11 0.00 0.13 0.00 0.00 57.88 57.42 3c4j h LEU 223 Cb 0.02 -0.13 0.01 0.00 -0.53 0.00 0.00 40.66 40.03 3c4j h LEU 223 CO -0.09 1.01 -0.42 -0.26 -0.13 0.00 0.00 178.44 178.56 3c4j h PHE 224 N -0.14 0.45 0.19 1.25 0.04 -0.83 -3.07 116.94 114.82 3c4j h PHE 224 Ca -0.03 -0.24 -0.30 0.00 2.80 0.00 0.00 57.97 60.21 3c4j h PHE 224 Cb 1.01 -0.05 0.03 0.00 2.20 0.00 0.00 35.95 39.14 3c4j h PHE 224 CO 0.13 1.04 -1.28 -0.44 -0.60 0.00 0.00 178.31 177.15 3c4j h ASP 225 N -0.27 0.81 -2.12 2.17 3.32 -1.36 -3.39 116.42 115.57 3c4j h ASP 225 Ca -0.05 -0.89 -0.57 0.00 0.02 0.00 0.00 57.03 55.55 3c4j h ASP 225 Cb 1.14 -0.26 -0.41 0.00 0.22 0.00 0.00 39.33 40.03 3c4j h ASP 225 CO 0.08 1.62 -0.86 -2.11 -1.72 0.00 0.00 179.24 176.26 3c4j n ARG 226 N -3.82 1.87 -2.10 3.56 1.85 -0.87 -5.07 116.66 112.08 3c4j n ARG 226 Ca -0.15 -4.07 -0.38 0.00 -1.00 0.00 0.00 57.85 52.25 3c4j n ARG 226 Cb 1.01 -1.85 0.00 0.00 -1.05 0.00 0.00 32.46 30.57 3c4j n ARG 226 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3c4j s PRO 227 N -2.28 3.67 -0.12 2.89 0.04 -1.16 -4.65 135.00 133.38 3c4j s PRO 227 Ca 0.40 1.97 0.14 0.00 0.04 0.00 0.00 61.00 63.55 3c4j s PRO 227 Cb 0.21 -2.46 -0.19 0.00 0.04 0.00 0.00 34.50 32.10 3c4j s PRO 227 CO -0.08 -0.68 0.11 1.04 0.04 0.00 0.00 177.00 177.43 3c4j n GLN 228 N -0.45 1.38 -3.64 4.56 3.00 -1.26 -4.91 117.38 116.05 3c4j n GLN 228 Ca 0.07 -0.03 -0.37 0.00 -0.01 0.00 0.00 57.00 56.66 3c4j n GLN 228 Cb 0.46 -1.38 -0.07 0.00 0.00 0.00 0.00 30.24 29.26 3c4j n GLN 228 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 3c4j s HIS 229 N -2.50 3.56 0.24 1.08 2.46 -1.26 -5.00 115.29 113.87 3c4j s HIS 229 Ca -0.07 0.65 -0.09 0.00 0.47 0.00 0.00 55.06 56.02 3c4j s HIS 229 Cb 0.05 -2.20 0.39 0.00 -0.13 0.00 0.00 32.58 30.69 3c4j s HIS 229 CO 0.62 0.48 1.63 0.93 -2.47 0.00 0.00 174.74 175.92 3c4j h GLU 230 N 5.74 0.06 -0.78 2.88 4.39 -1.99 -0.94 114.58 123.94 3c4j h GLU 230 Ca -0.47 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 3c4j h GLU 230 Cb 1.19 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.79 3c4j h GLU 230 CO 0.67 0.04 0.38 0.00 -1.16 0.00 0.00 179.01 178.95 3c4j h ARG 231 N 0.06 1.11 -0.02 2.33 3.08 -1.98 0.21 114.38 119.17 3c4j h ARG 231 Ca 0.39 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 3c4j h ARG 231 Cb 0.66 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 3c4j h ARG 231 CO -0.69 0.84 0.01 1.15 -1.07 0.00 0.00 179.97 180.21 3c4j h THR 232 N 1.10 1.12 -0.40 2.04 2.02 -1.65 -1.65 112.91 115.49 3c4j h THR 232 Ca 0.27 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 67.16 3c4j h THR 232 Cb 0.10 1.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 3c4j h THR 232 CO -0.04 0.09 0.10 0.11 0.37 0.00 0.00 175.52 176.16 3c4j h LYS 233 N -0.11 0.24 -0.61 6.66 1.57 -0.90 -0.69 116.57 122.71 3c4j h LYS 233 Ca 0.01 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3c4j h LYS 233 Cb 0.14 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 3c4j h LYS 233 CO -0.00 0.16 0.37 0.00 -0.57 0.00 0.00 179.45 179.40 3c4j h ALA 234 N 1.28 0.80 -0.42 3.86 0.00 -0.53 -1.30 119.26 122.96 3c4j h ALA 234 Ca 0.19 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3c4j h ALA 234 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3c4j h ALA 234 CO -0.23 0.09 -0.15 0.35 0.00 0.00 0.00 179.25 179.31 3c4j h PHE 235 N 0.71 0.95 0.00 0.00 3.04 -1.01 -3.10 116.94 117.53 3c4j h PHE 235 Ca 0.26 -0.22 0.00 0.00 3.98 0.00 0.00 57.97 61.99 3c4j h PHE 235 Cb 0.06 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.35 3c4j h PHE 235 CO -0.06 0.97 0.00 -0.07 -2.02 0.00 0.00 178.31 177.13 3c4j h LEU 236 N 0.66 0.00 0.00 0.59 3.38 -0.94 -2.97 115.31 116.03 3c4j h LEU 236 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3c4j h LEU 236 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3c4j h LEU 236 CO 0.05 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.38 3c4j n SER 237 N -2.66 0.00 -1.25 -0.43 7.64 -0.51 -3.88 113.62 112.53 3c4j n SER 237 Ca 0.03 -0.23 0.02 0.00 1.01 0.00 0.00 58.87 59.70 3c4j n SER 237 Cb 0.37 -0.22 0.01 0.00 -1.01 0.00 0.00 64.21 63.36 3c4j n SER 237 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3c4j n LYS 238 N -1.22 0.00 -3.93 1.43 2.85 -1.12 -5.10 118.16 111.06 3c4j n LYS 238 Ca 0.13 -1.67 -0.13 0.00 -1.05 0.00 0.00 58.31 55.60 3c4j n LYS 238 Cb 0.17 -0.03 -0.14 0.00 -0.65 0.00 0.00 35.03 34.38 3c4j n LYS 238 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3c4j s VAL 239 N 0.00 0.09 0.00 0.58 0.11 -1.23 -5.09 120.40 114.86 3c4j s VAL 239 Ca 0.24 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 3c4j s VAL 239 Cb 0.27 -0.09 0.00 0.00 -1.53 0.00 0.00 36.38 35.03 3c4j s VAL 239 CO -0.12 0.03 0.00 0.33 -3.33 0.00 0.00 175.10 172.01