#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3j s ILE 2 N 0.00 4.42 -0.16 0.53 1.01 -1.26 -5.02 121.20 120.72 1r3j s ILE 2 Ca 0.00 1.73 -0.15 0.00 0.00 0.00 0.00 60.65 62.23 1r3j s ILE 2 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1r3j s ILE 2 CO 0.00 0.03 0.35 -0.22 0.00 0.00 0.00 174.94 175.10 1r3j s LEU 3 N 1.91 4.23 -0.25 2.97 2.96 -1.26 -4.80 118.68 124.44 1r3j s LEU 3 Ca 0.54 0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 54.95 1r3j s LEU 3 Cb -0.23 -2.46 -0.01 0.00 0.50 0.00 0.00 46.19 43.99 1r3j s LEU 3 CO 0.22 0.04 0.01 -0.76 -1.32 0.00 0.00 176.35 174.54 1r3j s LEU 4 N 0.71 3.28 -0.26 -0.68 1.43 -1.26 -1.34 118.68 120.56 1r3j s LEU 4 Ca 0.19 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 1r3j s LEU 4 Cb -0.14 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1r3j s LEU 4 CO 0.06 -0.07 0.15 -0.89 0.23 0.00 0.00 176.35 175.83 1r3j s THR 5 N 1.51 5.06 -0.29 5.49 2.01 0.55 -3.98 115.64 125.99 1r3j s THR 5 Ca 0.05 0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.09 1r3j s THR 5 Cb -0.15 -3.38 0.03 0.00 0.01 0.00 0.00 72.50 69.00 1r3j s THR 5 CO -0.00 0.30 0.02 -1.10 -0.69 0.00 0.00 174.62 173.14 1r3j s GLN 6 N 1.52 2.74 -0.04 4.92 -0.21 -1.26 -0.85 119.66 126.48 1r3j s GLN 6 Ca 0.07 -1.07 -0.04 0.00 0.02 0.00 0.00 55.36 54.34 1r3j s GLN 6 Cb -0.15 -3.21 0.02 0.00 1.00 0.00 0.00 33.01 30.66 1r3j s GLN 6 CO 0.08 -0.52 0.11 0.45 -2.12 0.00 0.00 175.29 173.29 1r3j s SER 7 N 1.36 -0.11 0.79 5.90 0.15 -1.24 -4.32 113.70 116.23 1r3j s SER 7 Ca -0.01 0.23 -0.11 0.00 0.70 0.00 0.00 55.95 56.76 1r3j s SER 7 Cb -0.18 0.22 0.07 0.00 -1.71 0.00 0.00 66.02 64.41 1r3j s SER 7 CO -0.01 -0.06 1.09 -2.16 1.20 0.00 0.00 173.24 173.31 1r3j s PRO 8 N 0.23 2.12 0.38 5.44 0.04 -1.26 -4.41 135.00 137.55 1r3j s PRO 8 Ca -0.01 0.77 0.20 0.00 0.04 0.00 0.00 61.00 61.99 1r3j s PRO 8 Cb -0.02 -1.91 0.62 0.00 0.04 0.00 0.00 34.50 33.22 1r3j s PRO 8 CO -0.01 -1.62 1.70 0.00 0.04 0.00 0.00 177.00 177.11 1r3j h ALA 9 N -1.10 0.93 -3.68 8.56 0.00 -1.85 -3.44 119.26 118.68 1r3j h ALA 9 Ca -0.47 -0.31 -0.35 0.00 0.00 0.00 0.00 54.91 53.79 1r3j h ALA 9 Cb 1.26 -0.05 -0.31 0.00 0.00 0.00 0.00 17.79 18.68 1r3j h ALA 9 CO 0.57 0.42 -0.76 0.42 0.00 0.00 0.00 179.25 179.91 1r3j s ILE 10 N -3.46 0.38 -0.13 0.00 1.01 -1.26 -0.44 121.20 117.30 1r3j s ILE 10 Ca 0.01 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.56 1r3j s ILE 10 Cb 0.10 -0.38 0.02 0.00 0.01 0.00 0.00 42.46 42.20 1r3j s ILE 10 CO 0.68 0.15 -0.16 -0.22 0.00 0.00 0.00 174.94 175.39 1r3j s LEU 11 N 0.44 1.80 -0.19 2.97 2.96 0.20 -4.93 118.68 121.92 1r3j s LEU 11 Ca -0.05 -0.48 -0.05 0.00 -0.22 0.00 0.00 54.13 53.33 1r3j s LEU 11 Cb -0.08 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 1r3j s LEU 11 CO -0.00 0.01 0.00 -0.44 -1.32 0.00 0.00 176.35 174.60 1r3j s SER 12 N 1.09 4.91 0.06 3.68 0.01 -1.26 -0.45 113.70 121.73 1r3j s SER 12 Ca -0.03 -0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.07 1r3j s SER 12 Cb -0.14 -1.83 -0.03 0.00 0.21 0.00 0.00 66.02 64.22 1r3j s SER 12 CO -0.04 0.09 -0.06 0.54 0.41 0.00 0.00 173.24 174.18 1r3j s VAL 13 N 0.84 0.47 0.31 3.43 0.11 -0.42 -4.97 120.40 120.18 1r3j s VAL 13 Ca 0.01 -1.49 -0.16 0.00 -2.93 0.00 0.00 61.98 57.41 1r3j s VAL 13 Cb -0.14 -1.10 -0.09 0.00 -1.53 0.00 0.00 36.38 33.52 1r3j s VAL 13 CO 0.02 -0.69 0.75 -0.44 -3.33 0.00 0.00 175.10 171.42 1r3j s SER 14 N -2.32 6.84 0.24 3.54 0.01 -1.26 -0.09 113.70 120.66 1r3j s SER 14 Ca -0.00 1.34 -0.31 0.00 1.31 0.00 0.00 55.95 58.29 1r3j s SER 14 Cb -0.01 -2.40 -0.13 0.00 0.21 0.00 0.00 66.02 63.69 1r3j s SER 14 CO -0.04 -0.18 1.43 -0.81 0.41 0.00 0.00 173.24 174.06 1r3j n PRO 15 N -0.19 2.09 0.00 12.44 -0.04 -1.26 -2.11 135.00 145.93 1r3j n PRO 15 Ca 0.03 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1r3j n PRO 15 Cb 0.53 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1r3j n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r3j n GLY 16 N 2.24 2.23 3.87 0.55 0.00 -0.13 -4.93 105.19 109.04 1r3j n GLY 16 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1r3j n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r3j s GLU 17 N -0.44 3.63 0.26 1.61 2.02 -0.90 -3.62 118.70 121.26 1r3j s GLU 17 Ca 0.00 0.66 -0.23 0.00 0.02 0.00 0.00 54.97 55.42 1r3j s GLU 17 Cb 0.00 -2.15 -0.09 0.00 0.10 0.00 0.00 34.13 31.99 1r3j s GLU 17 CO 0.00 -0.46 0.83 0.50 0.02 0.00 0.00 175.26 176.15 1r3j s ARG 18 N -4.95 4.44 0.04 1.61 3.52 -1.26 -1.66 118.95 120.69 1r3j s ARG 18 Ca 0.54 1.11 0.02 0.00 -0.13 0.00 0.00 55.73 57.27 1r3j s ARG 18 Cb -0.11 -2.89 -0.02 0.00 -1.56 0.00 0.00 34.95 30.37 1r3j s ARG 18 CO 0.49 0.36 -0.08 0.54 -0.81 0.00 0.00 175.30 175.81 1r3j s VAL 19 N -1.52 0.52 -0.05 7.11 0.11 -0.58 -4.96 120.40 121.04 1r3j s VAL 19 Ca 0.45 -1.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.50 1r3j s VAL 19 Cb -0.18 -0.58 0.02 0.00 -1.53 0.00 0.00 36.38 34.11 1r3j s VAL 19 CO 0.23 -0.35 -0.06 -0.44 -3.33 0.00 0.00 175.10 171.16 1r3j s SER 20 N -1.47 1.04 -0.12 3.54 0.01 -1.26 -0.80 113.70 114.65 1r3j s SER 20 Ca -0.09 -0.15 -0.06 0.00 1.31 0.00 0.00 55.95 56.96 1r3j s SER 20 Cb -0.09 -0.50 -0.04 0.00 0.21 0.00 0.00 66.02 65.60 1r3j s SER 20 CO 0.00 -0.04 0.10 -0.36 0.41 0.00 0.00 173.24 173.35 1r3j s PHE 21 N 0.85 3.45 -0.09 2.43 0.40 0.14 -4.93 117.98 120.24 1r3j s PHE 21 Ca -0.12 0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 56.59 1r3j s PHE 21 Cb -0.15 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.44 1r3j s PHE 21 CO 0.01 0.62 0.00 0.45 0.70 0.00 0.00 175.22 177.00 1r3j s SER 22 N -0.87 5.26 -0.09 1.36 0.15 -1.26 -1.31 113.70 116.93 1r3j s SER 22 Ca 0.14 0.15 -0.03 0.00 0.70 0.00 0.00 55.95 56.90 1r3j s SER 22 Cb -0.12 -1.49 0.04 0.00 -1.71 0.00 0.00 66.02 62.74 1r3j s SER 22 CO 0.03 0.37 0.07 0.00 1.20 0.00 0.00 173.24 174.91 1r3j s ARG 24 N 2.14 3.36 0.09 0.00 3.52 -0.03 -0.81 118.95 127.22 1r3j s ARG 24 Ca 0.04 -0.69 -0.10 0.00 -0.13 0.00 0.00 55.73 54.85 1r3j s ARG 24 Cb -0.13 -2.67 -0.06 0.00 -1.56 0.00 0.00 34.95 30.53 1r3j s ARG 24 CO -0.05 0.15 0.41 0.00 -0.81 0.00 0.00 175.30 174.99 1r3j s ALA 25 N 0.52 3.72 -0.41 6.12 0.00 0.75 -0.33 121.76 132.13 1r3j s ALA 25 Ca -0.08 -0.38 0.23 0.00 0.00 0.00 0.00 51.96 51.72 1r3j s ALA 25 Cb -0.16 -2.28 1.02 0.00 0.00 0.00 0.00 23.12 21.71 1r3j s ALA 25 CO 0.04 0.57 1.68 -1.13 0.00 0.00 0.00 175.76 176.92 1r3j n SER 26 N 0.85 0.62 -3.80 0.00 3.41 -0.45 -4.74 113.62 109.51 1r3j n SER 26 Ca -0.07 0.69 -0.10 0.00 -0.26 0.00 0.00 58.87 59.13 1r3j n SER 26 Cb 0.52 -0.81 -0.06 0.00 -0.26 0.00 0.00 64.21 63.61 1r3j n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r3j s GLN 27 N -3.38 1.11 0.01 4.33 -2.07 -1.26 -4.99 119.66 113.41 1r3j s GLN 27 Ca 0.02 -0.93 -0.30 0.00 -1.82 0.00 0.00 55.36 52.33 1r3j s GLN 27 Cb 0.08 0.43 -0.07 0.00 -1.09 0.00 0.00 33.01 32.36 1r3j s GLN 27 CO 0.33 -0.42 1.69 0.45 -1.32 0.00 0.00 175.29 176.02 1r3j s SER 28 N -2.88 6.61 -0.18 12.60 0.15 -1.26 -4.66 113.70 124.08 1r3j s SER 28 Ca 0.09 2.40 0.14 0.00 0.70 0.00 0.00 55.95 59.28 1r3j s SER 28 Cb 0.02 -2.55 0.43 0.00 -1.71 0.00 0.00 66.02 62.22 1r3j s SER 28 CO -0.07 -0.92 1.20 2.30 1.20 0.00 0.00 173.24 176.95 1r3j n ILE 29 N 5.15 1.75 0.00 6.45 -5.35 -0.10 -4.99 119.36 122.27 1r3j n ILE 29 Ca 0.17 -2.93 0.00 0.00 -0.27 0.00 0.00 62.75 59.72 1r3j n ILE 29 Cb 0.42 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.27 1r3j n ILE 29 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r3j n GLY 30 N -0.69 3.53 0.31 3.28 0.00 -1.26 -1.83 105.19 108.53 1r3j n GLY 30 Ca 0.20 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.45 1r3j n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r3j n THR 31 N 0.00 1.76 -1.06 2.61 -2.24 -1.26 -1.00 114.28 113.09 1r3j n THR 31 Ca 0.00 -2.32 -0.18 0.00 -2.27 0.00 0.00 64.05 59.28 1r3j n THR 31 Cb 0.00 -0.13 -0.14 0.00 -2.10 0.00 0.00 70.33 67.96 1r3j n THR 31 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1r3j n ASP 32 N -1.16 5.98 -4.27 3.42 10.43 -0.76 -2.67 116.55 127.51 1r3j n ASP 32 Ca 0.15 -2.49 -0.28 0.00 2.57 0.00 0.00 54.79 54.74 1r3j n ASP 32 Cb 0.68 -1.43 -0.15 0.00 1.84 0.00 0.00 41.12 42.05 1r3j n ASP 32 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 1r3j s ILE 33 N 1.30 1.83 0.06 0.53 1.10 -1.26 -1.89 121.20 122.87 1r3j s ILE 33 Ca 0.67 -1.08 0.05 0.00 -0.51 0.00 0.00 60.65 59.77 1r3j s ILE 33 Cb 0.28 -1.54 -0.03 0.00 0.15 0.00 0.00 42.46 41.33 1r3j s ILE 33 CO -0.01 0.43 -0.14 -1.00 -2.11 0.00 0.00 174.94 172.11 1r3j s HIS 34 N -0.63 1.22 -0.04 3.50 3.76 -0.06 0.36 115.29 123.40 1r3j s HIS 34 Ca 0.09 -0.42 0.06 0.00 -0.15 0.00 0.00 55.06 54.64 1r3j s HIS 34 Cb -0.09 -0.70 -0.02 0.00 1.11 0.00 0.00 32.58 32.88 1r3j s HIS 34 CO 0.00 0.05 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.15 1r3j s TRP 35 N -1.11 2.51 0.10 1.40 0.52 -0.33 -0.85 118.94 121.17 1r3j s TRP 35 Ca -0.01 -0.38 0.08 0.00 0.02 0.00 0.00 56.10 55.81 1r3j s TRP 35 Cb -0.09 -1.58 -0.03 0.00 -1.15 0.00 0.00 33.47 30.61 1r3j s TRP 35 CO 0.02 0.01 -0.21 0.71 0.02 0.00 0.00 176.95 177.51 1r3j s TYR 36 N -0.54 1.76 -0.10 -1.98 1.51 0.22 -0.27 117.35 117.95 1r3j s TYR 36 Ca 0.08 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 55.73 1r3j s TYR 36 Cb -0.11 -0.97 -0.02 0.00 -0.11 0.00 0.00 41.96 40.75 1r3j s TYR 36 CO 0.01 0.19 -0.14 -1.14 -1.11 0.00 0.00 175.55 173.36 1r3j s GLN 37 N -1.87 3.01 -0.19 -0.62 0.74 0.24 -1.39 119.66 119.58 1r3j s GLN 37 Ca 0.06 -0.70 -0.03 0.00 0.05 0.00 0.00 55.36 54.74 1r3j s GLN 37 Cb -0.10 -2.51 0.06 0.00 1.10 0.00 0.00 33.01 31.56 1r3j s GLN 37 CO 0.04 0.38 0.03 -1.14 -0.55 0.00 0.00 175.29 174.05 1r3j s GLN 38 N -0.09 0.65 0.65 1.67 0.74 0.37 -0.13 119.66 123.52 1r3j s GLN 38 Ca -0.02 -0.39 -0.09 0.00 0.05 0.00 0.00 55.36 54.91 1r3j s GLN 38 Cb -0.14 -2.05 0.01 0.00 1.10 0.00 0.00 33.01 31.93 1r3j s GLN 38 CO 0.04 -0.62 1.00 1.03 -0.55 0.00 0.00 175.29 176.19 1r3j s ARG 39 N 1.87 2.85 0.07 1.67 0.52 -1.26 -1.33 118.95 123.33 1r3j s ARG 39 Ca -0.01 0.21 -0.36 0.00 -0.52 0.00 0.00 55.73 55.06 1r3j s ARG 39 Cb -0.17 -2.14 -0.15 0.00 0.52 0.00 0.00 34.95 33.01 1r3j s ARG 39 CO -0.08 -0.89 1.50 2.41 0.02 0.00 0.00 175.30 178.26 1r3j n THR 40 N -2.81 0.07 -1.29 0.02 -1.04 -1.26 -1.04 114.28 106.93 1r3j n THR 40 Ca 0.06 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.05 61.96 1r3j n THR 40 Cb 0.58 -1.19 -0.04 0.00 -1.82 0.00 0.00 70.33 67.85 1r3j n THR 40 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1r3j n ASN 41 N 3.39 -5.38 -4.76 8.00 3.02 -1.26 -4.98 115.26 113.29 1r3j n ASN 41 Ca 0.19 0.24 -0.26 0.00 -0.03 0.00 0.00 54.58 54.72 1r3j n ASN 41 Cb 0.23 -3.75 -0.06 0.00 -0.61 0.00 0.00 39.78 35.59 1r3j n ASN 41 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1r3j s GLY 42 N -2.44 2.45 0.29 7.41 0.00 -0.20 -5.13 107.32 109.69 1r3j s GLY 42 Ca 0.00 -1.75 -0.07 0.00 0.00 0.00 0.00 44.72 42.90 1r3j s GLY 42 CO 0.00 -1.97 0.60 -0.56 0.00 0.00 0.00 173.10 171.17 1r3j s SER 43 N -3.95 6.52 0.66 1.64 0.01 -1.26 -4.65 113.70 112.65 1r3j s SER 43 Ca 0.35 0.86 -0.18 0.00 1.31 0.00 0.00 55.95 58.29 1r3j s SER 43 Cb 0.03 -2.20 -0.01 0.00 0.21 0.00 0.00 66.02 64.04 1r3j s SER 43 CO 0.19 -0.20 1.18 -2.65 0.41 0.00 0.00 173.24 172.18 1r3j n PRO 44 N -0.77 0.94 -4.05 12.44 -0.02 -1.26 -4.64 135.00 137.64 1r3j n PRO 44 Ca -0.00 0.38 -0.22 0.00 -2.02 0.00 0.00 63.50 61.64 1r3j n PRO 44 Cb 0.53 -2.42 -0.17 0.00 -0.02 0.00 0.00 33.50 31.43 1r3j n PRO 44 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1r3j s ARG 45 N -3.29 0.90 0.11 -0.52 3.52 0.81 -4.92 118.95 115.56 1r3j s ARG 45 Ca 0.80 -0.08 -0.31 0.00 -0.13 0.00 0.00 55.73 56.01 1r3j s ARG 45 Cb -0.38 -0.99 -0.09 0.00 -1.56 0.00 0.00 34.95 31.93 1r3j s ARG 45 CO 0.43 -0.16 1.60 -1.17 -0.81 0.00 0.00 175.30 175.19 1r3j s LEU 46 N 1.28 4.37 -0.17 -0.88 2.96 -1.26 -0.59 118.68 124.38 1r3j s LEU 46 Ca -0.05 2.52 -0.06 0.00 -0.22 0.00 0.00 54.13 56.31 1r3j s LEU 46 Cb -0.14 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 1r3j s LEU 46 CO -0.02 -0.84 -0.20 0.18 -1.32 0.00 0.00 176.35 174.14 1r3j n LEU 47 N 4.82 1.59 -3.88 -0.68 4.77 0.62 -4.92 117.00 119.34 1r3j n LEU 47 Ca 0.15 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 56.14 1r3j n LEU 47 Cb 0.40 -0.52 -0.14 0.00 -2.33 0.00 0.00 43.42 40.83 1r3j n LEU 47 CO 0.62 0.45 -0.37 -0.63 -1.33 0.00 0.00 177.39 176.13 1r3j s ILE 48 N -2.32 0.07 0.16 -0.08 -1.09 -1.19 -3.85 121.20 112.90 1r3j s ILE 48 Ca -0.23 -0.02 0.11 0.00 -2.23 0.00 0.00 60.65 58.28 1r3j s ILE 48 Cb 0.08 -0.08 -0.04 0.00 -1.58 0.00 0.00 42.46 40.84 1r3j s ILE 48 CO 0.32 0.03 -0.25 -1.59 -1.23 0.00 0.00 174.94 172.21 1r3j s LYS 49 N 0.09 1.46 -1.30 2.79 -2.85 -0.54 -1.19 119.74 118.21 1r3j s LYS 49 Ca -0.01 -1.42 -0.11 0.00 -1.00 0.00 0.00 55.97 53.43 1r3j s LYS 49 Cb -0.02 -1.88 0.00 0.00 -2.06 0.00 0.00 37.83 33.87 1r3j s LYS 49 CO -0.00 0.43 0.55 0.66 0.10 0.00 0.00 175.35 177.09 1r3j n TYR 50 N 0.64 -1.68 0.00 1.78 4.02 -0.87 -0.70 117.16 120.35 1r3j n TYR 50 Ca -0.16 0.55 0.00 0.00 -0.01 0.00 0.00 57.90 58.29 1r3j n TYR 50 Cb 0.54 -3.46 0.00 0.00 -0.02 0.00 0.00 39.34 36.40 1r3j n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1r3j n ALA 51 N -4.42 0.00 -1.05 -0.72 0.00 0.16 -3.88 120.51 110.59 1r3j n ALA 51 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1r3j n ALA 51 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1r3j n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1r3j n SER 52 N 0.54 0.00 -4.69 0.00 3.41 -1.19 -2.79 113.62 108.90 1r3j n SER 52 Ca 0.00 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.19 1r3j n SER 52 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1r3j n SER 52 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1r3j s GLU 53 N 0.00 4.41 0.56 4.33 2.02 0.13 -4.60 118.70 125.55 1r3j s GLU 53 Ca 0.00 1.42 -0.18 0.00 0.02 0.00 0.00 54.97 56.24 1r3j s GLU 53 Cb 0.00 -3.54 -0.05 0.00 0.10 0.00 0.00 34.13 30.64 1r3j s GLU 53 CO 0.00 -0.33 1.07 -1.54 0.02 0.00 0.00 175.26 174.48 1r3j s SER 54 N 1.14 5.86 -0.01 -0.19 1.04 -1.26 -1.46 113.70 118.81 1r3j s SER 54 Ca 0.49 1.93 0.03 0.00 0.48 0.00 0.00 55.95 58.88 1r3j s SER 54 Cb -0.19 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.35 1r3j s SER 54 CO 0.18 -1.12 -0.10 -0.63 0.98 0.00 0.00 173.24 172.56 1r3j s ILE 55 N -2.20 3.44 0.19 -1.02 -1.09 -1.25 -4.85 121.20 114.42 1r3j s ILE 55 Ca 0.66 -0.76 -0.32 0.00 -2.23 0.00 0.00 60.65 58.00 1r3j s ILE 55 Cb -0.18 -2.45 -0.11 0.00 -1.58 0.00 0.00 42.46 38.14 1r3j s ILE 55 CO 0.31 0.46 1.68 -0.44 -1.23 0.00 0.00 174.94 175.72 1r3j s SER 56 N -1.18 6.45 0.00 3.58 0.01 -1.26 -2.37 113.70 118.92 1r3j s SER 56 Ca 0.15 2.78 0.00 0.00 1.31 0.00 0.00 55.95 60.19 1r3j s SER 56 Cb -0.11 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1r3j s SER 56 CO 0.05 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.38 1r3j n GLY 57 N 3.92 0.67 3.72 3.44 0.00 -1.26 -5.05 105.19 110.62 1r3j n GLY 57 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1r3j n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r3j s ILE 58 N -2.30 5.26 0.42 -0.61 -1.09 -1.00 -5.04 121.20 116.84 1r3j s ILE 58 Ca 0.00 0.67 -0.22 0.00 -2.23 0.00 0.00 60.65 58.87 1r3j s ILE 58 Cb 0.00 -3.69 -0.12 0.00 -1.58 0.00 0.00 42.46 37.06 1r3j s ILE 58 CO 0.00 0.35 0.58 -2.65 -1.23 0.00 0.00 174.94 171.99 1r3j n PRO 59 N 3.72 0.62 0.15 2.79 -0.02 -1.26 -4.85 135.00 136.14 1r3j n PRO 59 Ca -0.10 0.22 0.12 0.00 -2.02 0.00 0.00 63.50 61.73 1r3j n PRO 59 Cb 0.52 -1.54 0.54 0.00 -0.02 0.00 0.00 33.50 32.99 1r3j n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1r3j h SER 60 N 0.84 0.00 0.39 2.55 4.64 -1.98 -2.83 113.55 117.16 1r3j h SER 60 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1r3j h SER 60 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1r3j h SER 60 CO 0.52 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.37 1r3j n ARG 61 N -2.31 0.28 -3.54 4.77 1.85 -1.26 -4.67 116.66 111.78 1r3j n ARG 61 Ca 0.01 0.09 -0.36 0.00 -1.00 0.00 0.00 57.85 56.59 1r3j n ARG 61 Cb 0.19 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.03 1r3j n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1r3j s PHE 62 N -2.58 3.46 0.11 2.89 0.08 -1.07 -0.74 117.98 120.12 1r3j s PHE 62 Ca 0.19 0.58 -0.12 0.00 0.12 0.00 0.00 56.93 57.70 1r3j s PHE 62 Cb 0.14 -2.34 0.02 0.00 -0.57 0.00 0.00 43.02 40.26 1r3j s PHE 62 CO 0.31 0.23 0.30 -1.54 -0.10 0.00 0.00 175.22 174.42 1r3j s SER 63 N 0.49 -0.06 0.11 1.36 1.04 -0.77 -5.01 113.70 110.85 1r3j s SER 63 Ca 0.16 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 56.13 1r3j s SER 63 Cb -0.13 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1r3j s SER 63 CO 0.04 -0.79 -0.08 -0.83 0.98 0.00 0.00 173.24 172.56 1r3j s GLY 64 N -2.83 0.82 0.24 7.32 0.00 -1.26 -0.36 107.32 111.25 1r3j s GLY 64 Ca 0.04 -1.34 -0.15 0.00 0.00 0.00 0.00 44.72 43.27 1r3j s GLY 64 CO -0.11 -1.44 0.52 -1.35 0.00 0.00 0.00 173.10 170.72 1r3j s SER 65 N -2.94 -0.15 0.00 1.64 1.04 -0.26 -4.32 113.70 108.70 1r3j s SER 65 Ca 0.11 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1r3j s SER 65 Cb 0.03 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1r3j s SER 65 CO -0.03 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.65 1r3j n GLY 66 N -0.38 2.72 3.48 7.32 0.00 -1.26 -1.34 105.19 115.73 1r3j n GLY 66 Ca -0.04 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 43.91 1r3j n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r3j s SER 67 N 0.00 -0.47 0.61 1.61 1.04 -1.19 -4.84 113.70 110.47 1r3j s SER 67 Ca 0.00 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1r3j s SER 67 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1r3j s SER 67 CO 0.00 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1r3j n GLY 68 N -0.33 1.50 0.00 7.32 0.00 -0.17 -3.80 105.19 109.72 1r3j n GLY 68 Ca -0.13 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.47 1r3j n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r3j n THR 69 N 0.00 0.00 -4.38 2.61 -2.24 -1.26 -0.92 114.28 108.08 1r3j n THR 69 Ca 0.00 -0.17 -0.34 0.00 -2.27 0.00 0.00 64.05 61.28 1r3j n THR 69 Cb 0.00 0.46 -0.15 0.00 -2.10 0.00 0.00 70.33 68.54 1r3j n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1r3j s ASP 70 N -2.49 3.81 0.14 3.42 1.01 -1.25 -0.18 116.67 121.13 1r3j s ASP 70 Ca -0.01 -0.44 0.07 0.00 0.71 0.00 0.00 52.55 52.87 1r3j s ASP 70 Cb 0.04 -1.60 -0.04 0.00 1.01 0.00 0.00 42.92 42.33 1r3j s ASP 70 CO 0.24 0.07 -0.16 -0.36 0.21 0.00 0.00 175.17 175.16 1r3j s PHE 71 N 0.93 1.57 -0.00 4.23 0.40 0.01 -3.15 117.98 121.97 1r3j s PHE 71 Ca -0.03 -0.52 0.01 0.00 -0.60 0.00 0.00 56.93 55.79 1r3j s PHE 71 Cb -0.15 -0.81 0.00 0.00 0.51 0.00 0.00 43.02 42.57 1r3j s PHE 71 CO -0.01 0.21 -0.01 0.99 0.70 0.00 0.00 175.22 177.10 1r3j s THR 72 N -2.05 0.14 -0.15 0.64 2.01 -0.45 -1.50 115.64 114.28 1r3j s THR 72 Ca 0.11 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.05 1r3j s THR 72 Cb -0.05 -0.14 -0.01 0.00 0.01 0.00 0.00 72.50 72.30 1r3j s THR 72 CO 0.04 0.05 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.70 1r3j s LEU 73 N 0.10 2.81 0.12 4.42 2.96 -0.43 -1.11 118.68 127.55 1r3j s LEU 73 Ca -0.01 -0.31 0.09 0.00 -0.22 0.00 0.00 54.13 53.68 1r3j s LEU 73 Cb -0.02 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1r3j s LEU 73 CO -0.00 0.13 -0.23 -0.44 -1.32 0.00 0.00 176.35 174.49 1r3j s SER 74 N 0.55 2.81 -0.13 3.68 0.01 0.52 0.28 113.70 121.42 1r3j s SER 74 Ca -0.07 -0.73 -0.00 0.00 1.31 0.00 0.00 55.95 56.46 1r3j s SER 74 Cb -0.15 -0.17 0.03 0.00 0.21 0.00 0.00 66.02 65.93 1r3j s SER 74 CO 0.03 0.09 -0.10 -0.63 0.41 0.00 0.00 173.24 173.04 1r3j s ILE 75 N -1.22 1.25 -0.11 1.44 1.01 0.02 -1.85 121.20 121.74 1r3j s ILE 75 Ca 0.10 -0.45 -0.25 0.00 0.00 0.00 0.00 60.65 60.05 1r3j s ILE 75 Cb -0.10 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 1r3j s ILE 75 CO 0.05 0.39 0.79 0.20 0.00 0.00 0.00 174.94 176.37 1r3j s ASN 76 N 1.62 7.01 -0.48 3.58 -0.87 0.08 -1.52 114.94 124.35 1r3j s ASN 76 Ca 0.05 1.22 -0.19 0.00 -1.57 0.00 0.00 52.86 52.36 1r3j s ASN 76 Cb -0.13 -2.45 0.03 0.00 -0.02 0.00 0.00 41.25 38.68 1r3j s ASN 76 CO -0.09 -0.27 0.63 -0.24 -2.57 0.00 0.00 177.10 174.56 1r3j n SER 77 N 4.51 -7.22 -4.77 -1.22 2.88 -1.21 -4.80 113.62 101.80 1r3j n SER 77 Ca 0.02 0.24 -0.39 0.00 -1.33 0.00 0.00 58.87 57.42 1r3j n SER 77 Cb 0.50 -4.32 -0.01 0.00 -0.75 0.00 0.00 64.21 59.63 1r3j n SER 77 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1r3j s VAL 78 N -2.39 2.80 0.26 2.46 0.11 -0.67 -4.66 120.40 118.32 1r3j s VAL 78 Ca 0.25 0.68 0.02 0.00 -2.93 0.00 0.00 61.98 60.00 1r3j s VAL 78 Cb -0.05 -3.39 -0.05 0.00 -1.53 0.00 0.00 36.38 31.35 1r3j s VAL 78 CO 0.80 0.08 0.06 -1.83 -3.33 0.00 0.00 175.10 170.88 1r3j s GLU 79 N -2.33 1.43 0.29 1.54 -1.05 -1.26 -0.95 118.70 116.36 1r3j s GLU 79 Ca 0.58 -1.76 0.01 0.00 -0.15 0.00 0.00 54.97 53.65 1r3j s GLU 79 Cb -0.35 -0.45 0.70 0.00 -0.44 0.00 0.00 34.13 33.59 1r3j s GLU 79 CO 0.44 -0.23 1.64 0.77 0.95 0.00 0.00 175.26 178.83 1r3j h SER 80 N 2.37 -0.08 0.30 0.83 0.02 -1.89 0.18 113.55 115.29 1r3j h SER 80 Ca -0.39 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1r3j h SER 80 Cb 1.24 0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.07 1r3j h SER 80 CO 0.63 -0.18 0.00 -1.84 -1.14 0.00 0.00 176.83 174.30 1r3j n GLU 81 N -5.26 0.11 0.07 3.45 0.28 -0.80 -1.66 120.64 116.83 1r3j n GLU 81 Ca 0.21 0.49 0.13 0.00 -0.16 0.00 0.00 57.16 57.83 1r3j n GLU 81 Cb 0.68 -1.78 0.48 0.00 1.43 0.00 0.00 31.44 32.25 1r3j n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1r3j n ASP 82 N -1.99 0.53 -4.64 -1.84 8.00 0.65 -4.78 116.55 112.47 1r3j n ASP 82 Ca 0.01 0.55 -0.44 0.00 0.71 0.00 0.00 54.79 55.61 1r3j n ASP 82 Cb 0.11 -0.69 -0.04 0.00 -0.02 0.00 0.00 41.12 40.49 1r3j n ASP 82 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1r3j n ILE 83 N -2.00 0.62 -0.21 0.53 5.41 -0.66 -4.83 119.36 118.21 1r3j n ILE 83 Ca 0.06 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1r3j n ILE 83 Cb 0.40 -2.25 0.00 0.00 -0.71 0.00 0.00 39.64 37.07 1r3j n ILE 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r3j n ALA 84 N 8.36 0.00 -2.83 -1.39 0.00 -1.26 -4.80 120.51 118.59 1r3j n ALA 84 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.32 1r3j n ALA 84 Cb 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.77 1r3j n ALA 84 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1r3j s ASN 85 N -0.28 6.06 -0.08 0.00 0.02 -0.44 -1.68 114.94 118.53 1r3j s ASN 85 Ca 0.00 0.36 0.04 0.00 -1.02 0.00 0.00 52.86 52.24 1r3j s ASN 85 Cb 0.00 -1.89 0.00 0.00 0.02 0.00 0.00 41.25 39.38 1r3j s ASN 85 CO 0.00 0.39 -0.21 -0.31 0.02 0.00 0.00 177.10 176.98 1r3j s TYR 86 N -1.02 2.28 0.05 2.20 1.51 0.19 -0.48 117.35 122.08 1r3j s TYR 86 Ca 0.16 -0.87 0.08 0.00 -1.01 0.00 0.00 57.07 55.42 1r3j s TYR 86 Cb -0.12 -1.54 -0.03 0.00 -0.11 0.00 0.00 41.96 40.17 1r3j s TYR 86 CO 0.05 -0.35 -0.22 0.71 -1.11 0.00 0.00 175.55 174.63 1r3j s TYR 87 N 0.32 1.96 0.23 2.71 1.51 -0.48 -1.14 117.35 122.46 1r3j s TYR 87 Ca -0.15 -0.39 0.07 0.00 -1.01 0.00 0.00 57.07 55.60 1r3j s TYR 87 Cb -0.17 -1.17 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 1r3j s TYR 87 CO 0.07 0.11 0.11 0.00 -1.11 0.00 0.00 175.55 174.73 1r3j s GLN 89 N -3.57 0.40 0.07 0.00 -0.44 -0.03 -0.76 119.66 115.33 1r3j s GLN 89 Ca 0.31 0.43 0.06 0.00 -2.50 0.00 0.00 55.36 53.66 1r3j s GLN 89 Cb -0.08 0.19 -0.04 0.00 -1.64 0.00 0.00 33.01 31.44 1r3j s GLN 89 CO 0.23 -0.05 -0.07 1.14 0.50 0.00 0.00 175.29 177.03 1r3j s GLN 90 N 0.11 2.34 -0.07 1.67 1.03 -0.58 -0.88 119.66 123.28 1r3j s GLN 90 Ca -0.01 -0.90 0.11 0.00 0.04 0.00 0.00 55.36 54.60 1r3j s GLN 90 Cb -0.02 -2.41 0.18 0.00 0.03 0.00 0.00 33.01 30.79 1r3j s GLN 90 CO 0.01 0.54 1.09 -1.13 -2.54 0.00 0.00 175.29 173.26 1r3j n SER 91 N 0.91 1.13 0.01 12.60 3.41 -0.79 -3.24 113.62 127.65 1r3j n SER 91 Ca -0.13 -2.57 -0.18 0.00 -0.26 0.00 0.00 58.87 55.73 1r3j n SER 91 Cb 0.52 -0.32 -0.10 0.00 -0.26 0.00 0.00 64.21 64.05 1r3j n SER 91 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1r3j h ASN 92 N 0.17 0.74 -4.43 4.04 -1.24 -1.88 -3.47 115.58 109.51 1r3j h ASN 92 Ca -0.02 -0.72 -0.34 0.00 0.71 0.00 0.00 56.30 55.93 1r3j h ASN 92 Cb 1.26 -0.23 -0.19 0.00 0.73 0.00 0.00 38.32 39.89 1r3j h ASN 92 CO 0.01 1.36 -0.74 -0.13 -1.29 0.00 0.00 177.43 176.63 1r3j s ARG 93 N -3.38 0.81 0.15 6.67 1.81 -1.26 -5.14 118.95 118.61 1r3j s ARG 93 Ca -0.12 -1.06 -0.28 0.00 -1.72 0.00 0.00 55.73 52.55 1r3j s ARG 93 Cb 0.06 -0.59 -0.07 0.00 -0.45 0.00 0.00 34.95 33.89 1r3j s ARG 93 CO 0.87 0.11 0.89 -0.46 -0.68 0.00 0.00 175.30 176.03 1r3j s TRP 94 N -2.01 3.88 0.45 -0.53 -0.00 -1.26 -3.86 118.94 115.61 1r3j s TRP 94 Ca 0.02 1.76 -0.02 0.00 -0.00 0.00 0.00 56.10 57.87 1r3j s TRP 94 Cb -0.06 -2.94 -0.01 0.00 -0.00 0.00 0.00 33.47 30.46 1r3j s TRP 94 CO 0.01 0.36 0.70 -1.25 -0.00 0.00 0.00 176.95 176.76 1r3j s PRO 95 N -0.61 3.23 0.51 5.86 0.04 -1.26 -4.85 135.00 137.92 1r3j s PRO 95 Ca 0.42 -0.26 -0.23 0.00 0.04 0.00 0.00 61.00 60.97 1r3j s PRO 95 Cb -0.24 -2.51 -0.06 0.00 0.04 0.00 0.00 34.50 31.74 1r3j s PRO 95 CO 0.29 -0.23 1.36 -0.06 0.04 0.00 0.00 177.00 178.40 1r3j s PHE 96 N -2.60 2.39 0.06 0.56 2.99 -1.25 -4.73 117.98 115.40 1r3j s PHE 96 Ca 0.47 1.36 0.01 0.00 0.00 0.00 0.00 56.93 58.77 1r3j s PHE 96 Cb -0.10 -3.79 -0.03 0.00 0.00 0.00 0.00 43.02 39.09 1r3j s PHE 96 CO 0.40 -2.78 -0.05 0.95 -0.00 0.00 0.00 175.22 173.74 1r3j s THR 97 N -1.30 0.44 0.13 0.64 -4.23 -1.20 -4.99 115.64 105.13 1r3j s THR 97 Ca 0.68 -1.57 0.08 0.00 -1.18 0.00 0.00 61.69 59.70 1r3j s THR 97 Cb -0.40 -1.20 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 1r3j s THR 97 CO 0.49 -0.75 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.34 1r3j s PHE 98 N -2.92 2.66 0.76 3.99 0.08 -1.26 -1.52 117.98 119.76 1r3j s PHE 98 Ca 0.02 -0.20 -0.10 0.00 0.12 0.00 0.00 56.93 56.76 1r3j s PHE 98 Cb 0.01 -1.37 0.06 0.00 -0.57 0.00 0.00 43.02 41.15 1r3j s PHE 98 CO -0.05 0.44 1.12 0.20 -0.10 0.00 0.00 175.22 176.83 1r3j s GLY 99 N -2.36 1.62 0.00 4.36 0.00 0.06 -4.58 107.32 106.42 1r3j s GLY 99 Ca 0.21 -0.65 0.22 0.00 0.00 0.00 0.00 44.72 44.50 1r3j s GLY 99 CO 0.13 -0.21 1.71 -1.14 0.00 0.00 0.00 173.10 173.58 1r3j n SER 100 N -3.14 0.00 0.00 1.64 3.41 -1.26 -4.69 113.62 109.58 1r3j n SER 100 Ca 0.08 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1r3j n SER 100 Cb 0.60 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1r3j n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r3j n GLY 101 N 0.68 -1.53 3.03 5.00 0.00 -1.26 -5.05 105.19 106.06 1r3j n GLY 101 Ca 0.07 -1.40 -0.23 0.00 0.00 0.00 0.00 46.02 44.47 1r3j n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r3j s THR 102 N -3.27 1.02 -0.05 2.61 2.01 -0.29 -4.72 115.64 112.95 1r3j s THR 102 Ca 0.00 -0.45 -0.14 0.00 0.31 0.00 0.00 61.69 61.41 1r3j s THR 102 Cb 0.00 -0.91 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 1r3j s THR 102 CO 0.00 0.32 0.36 -0.75 -0.69 0.00 0.00 174.62 173.86 1r3j s LYS 103 N 0.39 3.93 -0.20 4.92 2.20 0.41 -0.64 119.74 130.75 1r3j s LYS 103 Ca -0.08 0.30 -0.08 0.00 -0.36 0.00 0.00 55.97 55.75 1r3j s LYS 103 Cb -0.12 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 1r3j s LYS 103 CO 0.02 0.61 0.08 -1.17 -0.36 0.00 0.00 175.35 174.53 1r3j s LEU 104 N -0.75 3.84 0.02 5.43 2.96 -0.67 -0.63 118.68 128.88 1r3j s LEU 104 Ca 0.22 0.06 0.08 0.00 -0.22 0.00 0.00 54.13 54.27 1r3j s LEU 104 Cb -0.15 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 1r3j s LEU 104 CO 0.11 0.14 -0.23 -1.61 -1.32 0.00 0.00 176.35 173.44 1r3j s GLU 105 N 0.60 1.64 -0.10 1.98 2.02 0.40 -4.01 118.70 121.23 1r3j s GLU 105 Ca 0.04 -0.93 0.01 0.00 0.02 0.00 0.00 54.97 54.11 1r3j s GLU 105 Cb -0.13 -1.71 -0.02 0.00 0.10 0.00 0.00 34.13 32.37 1r3j s GLU 105 CO 0.01 0.45 -0.12 0.42 0.02 0.00 0.00 175.26 176.04 1r3j s ILE 106 N -0.70 3.18 -0.65 -1.63 1.01 -1.26 -1.30 121.20 119.86 1r3j s ILE 106 Ca 0.09 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 1r3j s ILE 106 Cb -0.09 -2.31 0.12 0.00 0.01 0.00 0.00 42.46 40.19 1r3j s ILE 106 CO 0.01 0.55 0.74 -0.54 0.00 0.00 0.00 174.94 175.70 1r3j s LYS 107 N -0.13 3.15 0.58 2.79 1.02 0.87 -4.92 119.74 123.11 1r3j s LYS 107 Ca -0.01 -1.50 0.09 0.00 0.02 0.00 0.00 55.97 54.57 1r3j s LYS 107 Cb -0.14 -4.35 0.09 0.00 -0.52 0.00 0.00 37.83 32.92 1r3j s LYS 107 CO 0.03 -1.53 0.81 -0.98 -0.92 0.00 0.00 175.35 172.76 1r3j s ARG 108 N 2.38 2.26 0.63 1.68 1.70 -1.26 -4.08 118.95 122.25 1r3j s ARG 108 Ca 0.14 -1.60 -0.17 0.00 -0.47 0.00 0.00 55.73 53.63 1r3j s ARG 108 Cb -0.21 -2.63 -0.02 0.00 -0.57 0.00 0.00 34.95 31.53 1r3j s ARG 108 CO 0.03 -0.90 1.14 0.00 -1.08 0.00 0.00 175.30 174.49 1r3j s ALA 109 N -2.70 2.49 0.57 7.88 0.00 -1.26 -4.97 121.76 123.78 1r3j s ALA 109 Ca 0.62 0.73 -0.20 0.00 0.00 0.00 0.00 51.96 53.11 1r3j s ALA 109 Cb -0.06 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1r3j s ALA 109 CO 0.39 -1.21 1.29 -0.51 0.00 0.00 0.00 175.76 175.72 1r3j s ASP 110 N -2.14 5.18 -0.08 0.00 1.01 -1.26 -4.82 116.67 114.56 1r3j s ASP 110 Ca 0.71 2.59 -0.04 0.00 0.71 0.00 0.00 52.55 56.53 1r3j s ASP 110 Cb -0.24 -2.62 0.04 0.00 1.01 0.00 0.00 42.92 41.11 1r3j s ASP 110 CO 0.37 -1.61 0.18 0.00 0.21 0.00 0.00 175.17 174.32 1r3j s ALA 111 N -1.42 -0.37 0.35 5.23 0.00 0.05 -4.92 121.76 120.68 1r3j s ALA 111 Ca 0.75 0.79 -0.27 0.00 0.00 0.00 0.00 51.96 53.24 1r3j s ALA 111 Cb -0.36 -0.52 -0.09 0.00 0.00 0.00 0.00 23.12 22.15 1r3j s ALA 111 CO 0.41 -0.17 1.12 0.00 0.00 0.00 0.00 175.76 177.12 1r3j s ALA 112 N 1.20 3.25 0.39 0.00 0.00 -1.26 -1.63 121.76 123.71 1r3j s ALA 112 Ca -0.09 0.90 -0.25 0.00 0.00 0.00 0.00 51.96 52.52 1r3j s ALA 112 Cb -0.11 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1r3j s ALA 112 CO -0.07 -0.33 1.10 -1.25 0.00 0.00 0.00 175.76 175.21 1r3j s PRO 113 N -2.00 4.15 -0.34 0.00 0.04 -1.26 -4.58 135.00 131.02 1r3j s PRO 113 Ca 0.52 1.66 -0.17 0.00 0.04 0.00 0.00 61.00 63.05 1r3j s PRO 113 Cb -0.30 -2.64 -0.01 0.00 0.04 0.00 0.00 34.50 31.59 1r3j s PRO 113 CO 0.38 -0.19 0.45 0.99 0.04 0.00 0.00 177.00 178.67 1r3j s THR 114 N -1.52 5.09 -0.17 1.26 2.01 -0.14 -4.85 115.64 117.31 1r3j s THR 114 Ca 0.56 0.26 -0.08 0.00 0.31 0.00 0.00 61.69 62.75 1r3j s THR 114 Cb -0.26 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1r3j s THR 114 CO 0.33 -0.13 0.11 -0.69 -0.69 0.00 0.00 174.62 173.54 1r3j s VAL 115 N 2.23 5.21 -0.03 3.82 1.01 -1.26 -1.00 120.40 130.38 1r3j s VAL 115 Ca 0.16 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.26 1r3j s VAL 115 Cb -0.16 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1r3j s VAL 115 CO 0.12 0.50 -0.02 -0.44 0.00 0.00 0.00 175.10 175.26 1r3j s SER 116 N -0.09 0.63 -0.02 3.32 0.01 -0.38 -4.98 113.70 112.19 1r3j s SER 116 Ca 0.09 -0.07 0.03 0.00 1.31 0.00 0.00 55.95 57.31 1r3j s SER 116 Cb -0.12 -0.31 -0.03 0.00 0.21 0.00 0.00 66.02 65.77 1r3j s SER 116 CO 0.00 -0.07 -0.10 -0.51 0.41 0.00 0.00 173.24 172.97 1r3j s ILE 117 N 0.90 3.41 -0.08 1.44 2.07 -1.26 -0.21 121.20 127.46 1r3j s ILE 117 Ca -0.10 -0.74 0.02 0.00 -1.41 0.00 0.00 60.65 58.41 1r3j s ILE 117 Cb -0.13 -2.42 0.02 0.00 0.13 0.00 0.00 42.46 40.06 1r3j s ILE 117 CO -0.01 0.49 -0.11 -0.36 -1.91 0.00 0.00 174.94 173.04 1r3j s PHE 118 N -0.87 1.46 0.72 3.50 0.40 0.19 -4.99 117.98 118.38 1r3j s PHE 118 Ca 0.14 -0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 55.77 1r3j s PHE 118 Cb -0.11 -1.11 0.02 0.00 0.51 0.00 0.00 43.02 42.33 1r3j s PHE 118 CO 0.04 -0.34 1.07 -2.14 0.70 0.00 0.00 175.22 174.55 1r3j s PRO 119 N 0.94 2.74 0.61 0.24 0.02 -1.26 -1.92 135.00 136.37 1r3j s PRO 119 Ca -0.09 1.03 -0.18 0.00 0.02 0.00 0.00 61.00 61.77 1r3j s PRO 119 Cb -0.15 -1.96 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 1r3j s PRO 119 CO 0.00 -1.26 1.18 -1.25 -0.33 0.00 0.00 177.00 175.35 1r3j s PRO 120 N -4.98 2.94 0.61 5.54 0.04 -1.22 -4.83 135.00 133.10 1r3j s PRO 120 Ca 0.59 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 63.26 1r3j s PRO 120 Cb -0.15 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1r3j s PRO 120 CO 0.55 -1.21 1.02 -1.54 0.04 0.00 0.00 177.00 175.85 1r3j s SER 121 N -1.78 6.20 0.18 6.66 1.04 -1.26 -4.94 113.70 119.80 1r3j s SER 121 Ca 0.75 1.37 -0.10 0.00 0.48 0.00 0.00 55.95 58.45 1r3j s SER 121 Cb -0.28 -2.43 0.09 0.00 0.10 0.00 0.00 66.02 63.49 1r3j s SER 121 CO 0.34 -0.87 1.70 0.28 0.98 0.00 0.00 173.24 175.68 1r3j h SER 122 N -0.30 0.94 -0.70 7.02 0.02 -1.98 -1.79 113.55 116.76 1r3j h SER 122 Ca -0.44 -0.22 0.04 0.00 -0.84 0.00 0.00 61.79 60.33 1r3j h SER 122 Cb 1.19 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.44 1r3j h SER 122 CO 0.62 0.91 0.42 -0.33 -1.14 0.00 0.00 176.83 177.30 1r3j h GLU 123 N 0.92 0.77 -0.20 3.45 3.07 -1.98 -0.80 114.58 119.81 1r3j h GLU 123 Ca 0.20 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.97 1r3j h GLU 123 Cb 0.32 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1r3j h GLU 123 CO -0.00 0.51 -0.05 0.37 -1.40 0.00 0.00 179.01 178.44 1r3j h GLN 124 N 0.79 0.38 -0.58 2.33 4.15 -1.79 -3.12 115.11 117.27 1r3j h GLN 124 Ca 0.29 -0.15 0.08 0.00 0.77 0.00 0.00 58.65 59.65 1r3j h GLN 124 Cb 0.10 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.70 1r3j h GLN 124 CO -0.14 0.64 0.24 -0.07 -1.93 0.00 0.00 178.83 177.56 1r3j h LEU 125 N 0.10 0.27 -0.20 -2.39 3.38 -0.98 0.99 115.31 116.48 1r3j h LEU 125 Ca 0.05 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1r3j h LEU 125 Cb 0.50 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1r3j h LEU 125 CO 0.02 0.17 0.19 0.41 0.09 0.00 0.00 178.44 179.32 1r3j n THR 126 N -4.96 1.19 -0.96 0.22 -1.04 -0.34 0.44 114.28 108.83 1r3j n THR 126 Ca 0.08 0.55 0.09 0.00 -2.04 0.00 0.00 64.05 62.72 1r3j n THR 126 Cb 0.24 -1.55 0.25 0.00 -1.82 0.00 0.00 70.33 67.45 1r3j n THR 126 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1r3j n SER 127 N -1.49 3.80 -1.04 8.00 7.64 0.33 -4.94 113.62 125.92 1r3j n SER 127 Ca -0.00 -2.98 -0.13 0.00 1.01 0.00 0.00 58.87 56.77 1r3j n SER 127 Cb 0.19 -0.53 -0.06 0.00 -1.01 0.00 0.00 64.21 62.81 1r3j n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r3j n GLY 128 N -0.50 1.35 3.21 0.23 0.00 0.17 -5.00 105.19 104.67 1r3j n GLY 128 Ca 0.21 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 1r3j n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r3j s GLY 129 N -2.84 1.01 -0.12 -0.02 0.00 -1.16 -2.12 107.32 102.06 1r3j s GLY 129 Ca 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 1r3j s GLY 129 CO 0.00 -1.05 0.16 0.00 0.00 0.00 0.00 173.10 172.20 1r3j s ALA 130 N -1.09 -0.06 -0.15 3.20 0.00 -0.47 -2.59 121.76 120.59 1r3j s ALA 130 Ca 0.03 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.33 1r3j s ALA 130 Cb -0.09 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.08 1r3j s ALA 130 CO 0.03 -0.80 -0.18 -1.12 0.00 0.00 0.00 175.76 173.69 1r3j s SER 131 N 2.27 3.39 -0.27 0.00 0.01 -1.26 -0.17 113.70 117.66 1r3j s SER 131 Ca 0.04 -0.54 -0.09 0.00 1.31 0.00 0.00 55.95 56.67 1r3j s SER 131 Cb -0.13 -1.51 -0.03 0.00 0.21 0.00 0.00 66.02 64.56 1r3j s SER 131 CO -0.07 0.07 0.13 -0.69 0.41 0.00 0.00 173.24 173.09 1r3j s VAL 132 N 0.87 4.73 -0.10 3.43 1.01 0.67 -3.42 120.40 127.59 1r3j s VAL 132 Ca -0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1r3j s VAL 132 Cb -0.15 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1r3j s VAL 132 CO -0.02 0.25 0.01 -0.69 0.00 0.00 0.00 175.10 174.65 1r3j s VAL 133 N 1.67 4.40 -0.07 2.92 1.01 -0.81 -0.96 120.40 128.56 1r3j s VAL 133 Ca 0.06 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1r3j s VAL 133 Cb -0.16 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.36 1r3j s VAL 133 CO 0.07 0.59 -0.13 0.00 0.00 0.00 0.00 175.10 175.63 1r3j s PHE 135 N 0.75 3.01 -0.40 0.00 0.08 0.71 -0.95 117.98 121.18 1r3j s PHE 135 Ca -0.13 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 56.60 1r3j s PHE 135 Cb -0.16 -1.95 0.11 0.00 -0.57 0.00 0.00 43.02 40.45 1r3j s PHE 135 CO 0.03 -0.05 0.16 -0.51 -0.10 0.00 0.00 175.22 174.74 1r3j s LEU 136 N 0.37 5.03 0.06 -0.37 1.43 0.31 -1.25 118.68 124.26 1r3j s LEU 136 Ca -0.05 -2.16 0.04 0.00 -1.03 0.00 0.00 54.13 50.93 1r3j s LEU 136 Cb -0.14 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1r3j s LEU 136 CO 0.03 -0.46 -0.01 0.20 0.23 0.00 0.00 176.35 176.34 1r3j s ASN 137 N 1.32 4.98 -1.25 2.29 0.02 -0.17 -0.02 114.94 122.12 1r3j s ASN 137 Ca 0.10 -0.14 -0.11 0.00 -1.02 0.00 0.00 52.86 51.69 1r3j s ASN 137 Cb -0.21 -1.21 -0.01 0.00 0.02 0.00 0.00 41.25 39.85 1r3j s ASN 137 CO -0.06 0.21 0.66 0.59 0.02 0.00 0.00 177.10 178.53 1r3j n ASN 138 N 0.87 -3.07 -4.72 -1.22 3.02 -0.84 -0.97 115.26 108.33 1r3j n ASN 138 Ca -0.12 -0.97 -0.23 0.00 -0.03 0.00 0.00 54.58 53.22 1r3j n ASN 138 Cb 0.52 -3.44 -0.07 0.00 -0.61 0.00 0.00 39.78 36.19 1r3j n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1r3j s PHE 139 N -3.65 2.68 -0.28 3.10 -0.12 0.16 -4.61 117.98 115.25 1r3j s PHE 139 Ca 0.25 -0.40 -0.19 0.00 -0.05 0.00 0.00 56.93 56.54 1r3j s PHE 139 Cb -0.09 -1.63 0.11 0.00 -0.63 0.00 0.00 43.02 40.78 1r3j s PHE 139 CO 0.86 0.35 0.85 -0.47 -0.05 0.00 0.00 175.22 176.76 1r3j s TYR 140 N -2.45 -0.76 1.23 3.49 6.14 -0.65 -0.72 117.35 123.64 1r3j s TYR 140 Ca 0.37 1.61 -0.14 0.00 0.64 0.00 0.00 57.07 59.56 1r3j s TYR 140 Cb -0.02 0.44 0.31 0.00 0.42 0.00 0.00 41.96 43.11 1r3j s TYR 140 CO 0.22 -0.37 1.00 -2.14 0.64 0.00 0.00 175.55 174.90 1r3j s PRO 141 N 1.10 -1.44 0.14 4.97 0.02 -1.26 -0.77 135.00 137.76 1r3j s PRO 141 Ca -0.06 0.75 0.21 0.00 0.02 0.00 0.00 61.00 61.93 1r3j s PRO 141 Cb -0.05 -1.50 0.87 0.00 0.02 0.00 0.00 34.50 33.84 1r3j s PRO 141 CO -0.13 -4.05 1.66 0.36 -0.33 0.00 0.00 177.00 174.52 1r3j n LYS 142 N -5.13 0.12 -2.31 5.54 2.85 -1.26 -4.74 118.16 113.23 1r3j n LYS 142 Ca 0.03 0.30 -0.42 0.00 -1.05 0.00 0.00 58.31 57.17 1r3j n LYS 142 Cb 0.55 -1.71 -0.03 0.00 -0.65 0.00 0.00 35.03 33.19 1r3j n LYS 142 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1r3j s ASP 143 N -3.75 6.91 -0.05 -5.58 1.01 -1.26 -4.99 116.67 108.95 1r3j s ASP 143 Ca 0.07 1.95 -0.30 0.00 0.71 0.00 0.00 52.55 54.98 1r3j s ASP 143 Cb 0.11 -2.55 0.09 0.00 1.01 0.00 0.00 42.92 41.57 1r3j s ASP 143 CO 0.39 -0.71 0.79 -0.51 0.21 0.00 0.00 175.17 175.33 1r3j s ILE 144 N 2.77 0.00 -0.02 0.77 2.07 -1.26 -4.60 121.20 120.93 1r3j s ILE 144 Ca 0.61 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.89 1r3j s ILE 144 Cb -0.28 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.31 1r3j s ILE 144 CO 0.23 0.00 -0.15 0.54 -1.91 0.00 0.00 174.94 173.65 1r3j s ASN 145 N -1.47 1.83 0.00 4.50 2.20 -1.01 -5.01 114.94 115.98 1r3j s ASN 145 Ca -0.05 -0.29 0.08 0.00 -0.94 0.00 0.00 52.86 51.66 1r3j s ASN 145 Cb -0.00 -0.30 -0.02 0.00 -2.00 0.00 0.00 41.25 38.93 1r3j s ASN 145 CO 0.03 0.17 -0.25 0.54 -2.94 0.00 0.00 177.10 174.65 1r3j s VAL 146 N -0.23 2.18 -0.02 3.54 0.11 -1.26 -1.07 120.40 123.65 1r3j s VAL 146 Ca 0.03 -1.17 0.03 0.00 -2.93 0.00 0.00 61.98 57.94 1r3j s VAL 146 Cb -0.07 -1.79 0.00 0.00 -1.53 0.00 0.00 36.38 32.98 1r3j s VAL 146 CO 0.00 0.51 -0.09 -0.75 -3.33 0.00 0.00 175.10 171.44 1r3j s LYS 147 N -0.84 0.96 -0.06 1.54 2.20 0.38 -4.97 119.74 118.95 1r3j s LYS 147 Ca 0.11 -0.31 -0.01 0.00 -0.36 0.00 0.00 55.97 55.39 1r3j s LYS 147 Cb -0.10 -0.90 -0.03 0.00 -1.51 0.00 0.00 37.83 35.28 1r3j s LYS 147 CO 0.00 0.12 0.02 -1.58 -0.36 0.00 0.00 175.35 173.56 1r3j s TRP 148 N 0.16 3.20 -0.03 4.03 0.52 -1.26 -0.72 118.94 124.84 1r3j s TRP 148 Ca -0.03 0.20 0.01 0.00 0.02 0.00 0.00 56.10 56.30 1r3j s TRP 148 Cb -0.08 -1.77 0.02 0.00 -1.15 0.00 0.00 33.47 30.48 1r3j s TRP 148 CO 0.00 0.50 -0.03 0.15 0.02 0.00 0.00 176.95 177.59 1r3j s LYS 149 N -1.14 0.54 -0.23 4.98 1.02 -0.70 0.44 119.74 124.64 1r3j s LYS 149 Ca 0.16 -0.06 -0.01 0.00 0.02 0.00 0.00 55.97 56.08 1r3j s LYS 149 Cb -0.11 -0.60 0.03 0.00 -0.52 0.00 0.00 37.83 36.62 1r3j s LYS 149 CO 0.06 -0.05 -0.10 0.42 -0.92 0.00 0.00 175.35 174.76 1r3j s ILE 150 N 0.68 2.65 -1.40 2.17 1.01 0.38 -0.73 121.20 125.96 1r3j s ILE 150 Ca -0.08 -1.02 -0.07 0.00 0.00 0.00 0.00 60.65 59.48 1r3j s ILE 150 Cb -0.11 -2.31 0.04 0.00 0.01 0.00 0.00 42.46 40.09 1r3j s ILE 150 CO -0.01 0.27 0.89 0.47 0.00 0.00 0.00 174.94 176.56 1r3j n ASP 151 N 4.64 -3.25 0.00 3.58 8.00 0.46 -1.86 116.55 128.12 1r3j n ASP 151 Ca -0.17 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1r3j n ASP 151 Cb 0.47 -4.15 0.00 0.00 -0.02 0.00 0.00 41.12 37.43 1r3j n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r3j n GLY 152 N -1.64 2.95 3.76 0.44 0.00 -1.26 -5.01 105.19 104.42 1r3j n GLY 152 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1r3j n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3j s SER 153 N -1.60 6.37 0.37 1.61 0.01 -0.78 -5.01 113.70 114.67 1r3j s SER 153 Ca 0.00 0.43 -0.27 0.00 1.31 0.00 0.00 55.95 57.42 1r3j s SER 153 Cb 0.00 -2.13 -0.12 0.00 0.21 0.00 0.00 66.02 63.98 1r3j s SER 153 CO 0.00 0.19 1.24 1.21 0.41 0.00 0.00 173.24 176.30 1r3j n GLU 154 N 3.18 1.95 -4.32 12.44 2.13 -1.26 -0.47 120.64 134.28 1r3j n GLU 154 Ca -0.15 0.69 -0.24 0.00 0.66 0.00 0.00 57.16 58.12 1r3j n GLU 154 Cb 0.52 -2.28 -0.17 0.00 0.27 0.00 0.00 31.44 29.78 1r3j n GLU 154 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1r3j s ARG 155 N -1.96 1.38 0.00 5.31 6.06 0.17 -4.79 118.95 125.13 1r3j s ARG 155 Ca 0.58 -0.28 0.00 0.00 -2.50 0.00 0.00 55.73 53.53 1r3j s ARG 155 Cb -0.56 -1.26 0.00 0.00 0.06 0.00 0.00 34.95 33.19 1r3j s ARG 155 CO 0.60 -0.06 0.00 1.04 -2.50 0.00 0.00 175.30 174.38 1r3j n GLN 156 N 4.11 2.69 -2.85 5.12 6.02 -1.26 -3.99 117.38 127.23 1r3j n GLN 156 Ca -0.21 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.38 1r3j n GLN 156 Cb 0.51 -0.77 -0.05 0.00 1.02 0.00 0.00 30.24 30.95 1r3j n GLN 156 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1r3j s ASN 157 N -1.47 7.44 -0.03 1.08 3.84 -1.26 -3.78 114.94 120.77 1r3j s ASN 157 Ca 0.00 1.72 0.00 0.00 0.21 0.00 0.00 52.86 54.79 1r3j s ASN 157 Cb 0.00 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.15 1r3j s ASN 157 CO 0.00 0.06 0.00 0.61 -2.79 0.00 0.00 177.10 174.98 1r3j n GLY 158 N 1.98 0.45 3.66 1.21 0.00 -1.26 -4.87 105.19 106.35 1r3j n GLY 158 Ca -0.01 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1r3j n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r3j s VAL 159 N -2.00 5.05 -0.09 1.61 1.01 -1.25 -1.70 120.40 123.04 1r3j s VAL 159 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1r3j s VAL 159 Cb 0.00 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1r3j s VAL 159 CO 0.00 0.42 -0.13 -0.76 0.00 0.00 0.00 175.10 174.64 1r3j s LEU 160 N 0.58 1.60 0.18 3.92 1.43 -0.40 -4.97 118.68 121.02 1r3j s LEU 160 Ca 0.06 -0.35 0.07 0.00 -1.03 0.00 0.00 54.13 52.87 1r3j s LEU 160 Cb -0.12 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 1r3j s LEU 160 CO 0.01 0.00 0.05 0.20 0.23 0.00 0.00 176.35 176.84 1r3j s ASN 161 N 0.97 5.02 -0.08 2.29 0.01 -1.26 -0.86 114.94 121.02 1r3j s ASN 161 Ca -0.08 -0.33 -0.04 0.00 -0.71 0.00 0.00 52.86 51.70 1r3j s ASN 161 Cb -0.15 -1.15 0.04 0.00 0.41 0.00 0.00 41.25 40.40 1r3j s ASN 161 CO -0.00 0.07 0.19 -0.55 -1.51 0.00 0.00 177.10 175.30 1r3j s SER 162 N -3.10 -0.18 -0.07 -1.22 0.15 -0.21 -4.99 113.70 104.07 1r3j s SER 162 Ca 0.29 0.40 0.03 0.00 0.70 0.00 0.00 55.95 57.38 1r3j s SER 162 Cb -0.09 0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 64.49 1r3j s SER 162 CO 0.20 -0.15 -0.16 0.26 1.20 0.00 0.00 173.24 174.59 1r3j s TRP 163 N 1.19 2.66 0.66 3.44 0.51 -1.26 -0.83 118.94 125.31 1r3j s TRP 163 Ca -0.09 -0.39 -0.06 0.00 -2.12 0.00 0.00 56.10 53.44 1r3j s TRP 163 Cb -0.11 -1.67 0.04 0.00 -0.81 0.00 0.00 33.47 30.93 1r3j s TRP 163 CO -0.07 0.01 0.97 0.95 -0.51 0.00 0.00 176.95 178.30 1r3j s THR 164 N -0.36 2.70 0.78 2.01 -4.23 -0.87 -5.03 115.64 110.63 1r3j s THR 164 Ca 0.03 -0.21 -0.08 0.00 -1.18 0.00 0.00 61.69 60.26 1r3j s THR 164 Cb -0.12 -3.13 0.11 0.00 1.34 0.00 0.00 72.50 70.70 1r3j s THR 164 CO 0.02 -0.14 1.10 -1.81 -0.54 0.00 0.00 174.62 173.25 1r3j s ASP 165 N -4.45 4.25 0.22 3.99 1.11 -1.26 -4.65 116.67 115.89 1r3j s ASP 165 Ca 0.58 0.23 -0.32 0.00 0.18 0.00 0.00 52.55 53.23 1r3j s ASP 165 Cb -0.11 -0.66 -0.13 0.00 1.07 0.00 0.00 42.92 43.10 1r3j s ASP 165 CO 0.45 -1.96 1.58 1.67 1.18 0.00 0.00 175.17 178.09 1r3j n GLN 166 N -3.14 2.42 -2.34 8.23 7.27 -1.26 -4.74 117.38 123.83 1r3j n GLN 166 Ca 0.11 0.87 -0.42 0.00 0.07 0.00 0.00 57.00 57.63 1r3j n GLN 166 Cb 0.60 -2.64 -0.03 0.00 2.41 0.00 0.00 30.24 30.59 1r3j n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1r3j s ASP 167 N 0.75 6.93 0.00 1.69 2.15 0.40 -4.90 116.67 123.69 1r3j s ASP 167 Ca 0.72 1.91 0.07 0.00 0.43 0.00 0.00 52.55 55.68 1r3j s ASP 167 Cb -0.58 -2.55 0.40 0.00 -0.30 0.00 0.00 42.92 39.88 1r3j s ASP 167 CO 0.41 -0.70 0.91 -1.54 -0.17 0.00 0.00 175.17 174.09 1r3j n SER 168 N 5.77 0.00 -0.10 -0.34 3.41 -1.26 -0.38 113.62 120.71 1r3j n SER 168 Ca 0.13 -0.96 -0.12 0.00 -0.26 0.00 0.00 58.87 57.66 1r3j n SER 168 Cb 0.45 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.28 1r3j n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1r3j n LYS 169 N -0.68 0.88 -0.11 4.33 4.01 -1.26 -1.90 118.16 123.44 1r3j n LYS 169 Ca 0.05 0.06 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 1r3j n LYS 169 Cb 0.02 -1.43 0.00 0.00 -0.51 0.00 0.00 35.03 33.11 1r3j n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1r3j n ASP 170 N -2.89 0.00 -1.18 4.39 5.75 -1.14 -4.84 116.55 116.65 1r3j n ASP 170 Ca -0.33 -1.17 -0.15 0.00 -0.01 0.00 0.00 54.79 53.13 1r3j n ASP 170 Cb 0.98 -0.03 -0.07 0.00 -1.03 0.00 0.00 41.12 40.97 1r3j n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1r3j n SER 171 N 0.00 -5.29 -5.01 -1.12 7.64 0.48 -4.99 113.62 105.33 1r3j n SER 171 Ca 0.00 0.38 -0.20 0.00 1.01 0.00 0.00 58.87 60.06 1r3j n SER 171 Cb 0.53 -4.14 0.07 0.00 -1.01 0.00 0.00 64.21 59.66 1r3j n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1r3j s THR 172 N -2.42 2.04 0.25 0.44 -4.23 -1.26 -4.69 115.64 105.77 1r3j s THR 172 Ca 0.00 -0.97 0.08 0.00 -1.18 0.00 0.00 61.69 59.61 1r3j s THR 172 Cb 0.00 -2.07 -0.05 0.00 1.34 0.00 0.00 72.50 71.72 1r3j s THR 172 CO 0.00 0.00 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.66 1r3j s TYR 173 N -2.74 1.92 0.06 3.99 1.51 0.10 -0.45 117.35 121.75 1r3j s TYR 173 Ca 0.63 -0.60 -0.06 0.00 -1.01 0.00 0.00 57.07 56.03 1r3j s TYR 173 Cb -0.05 -0.99 -0.01 0.00 -0.11 0.00 0.00 41.96 40.79 1r3j s TYR 173 CO 0.40 0.38 0.10 -1.12 -1.11 0.00 0.00 175.55 174.20 1r3j s SER 174 N -3.41 0.24 -0.03 2.29 0.01 -1.26 -0.67 113.70 110.87 1r3j s SER 174 Ca 0.27 -0.72 -0.16 0.00 1.31 0.00 0.00 55.95 56.66 1r3j s SER 174 Cb 0.01 0.27 0.03 0.00 0.21 0.00 0.00 66.02 66.54 1r3j s SER 174 CO 0.11 -0.64 0.34 -0.32 0.41 0.00 0.00 173.24 173.13 1r3j s MET 175 N -3.56 0.67 0.03 12.44 0.00 0.97 -2.06 119.30 127.79 1r3j s MET 175 Ca 0.03 -0.10 0.08 0.00 0.00 0.00 0.00 55.69 55.70 1r3j s MET 175 Cb 0.04 0.30 -0.03 0.00 0.00 0.00 0.00 34.83 35.15 1r3j s MET 175 CO -0.09 -0.18 -0.25 -1.54 0.00 0.00 0.00 175.02 172.96 1r3j s SER 176 N -1.18 2.93 -0.10 1.11 1.04 -0.01 -0.53 113.70 116.95 1r3j s SER 176 Ca -0.12 -0.54 0.01 0.00 0.48 0.00 0.00 55.95 55.78 1r3j s SER 176 Cb -0.05 -0.28 0.02 0.00 0.10 0.00 0.00 66.02 65.82 1r3j s SER 176 CO 0.04 0.25 -0.10 -0.55 0.98 0.00 0.00 173.24 173.86 1r3j s SER 177 N -1.05 2.05 -0.15 7.02 0.15 -0.13 -1.05 113.70 120.54 1r3j s SER 177 Ca 0.10 -0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.45 1r3j s SER 177 Cb -0.10 -0.86 0.02 0.00 -1.71 0.00 0.00 66.02 63.38 1r3j s SER 177 CO 0.01 -0.05 -0.18 -0.89 1.20 0.00 0.00 173.24 173.33 1r3j s THR 178 N 1.28 1.84 -0.35 6.45 2.01 -0.04 -0.83 115.64 125.99 1r3j s THR 178 Ca -0.03 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.03 1r3j s THR 178 Cb -0.14 -1.66 0.00 0.00 0.01 0.00 0.00 72.50 70.71 1r3j s THR 178 CO -0.04 0.50 0.22 -0.22 -0.69 0.00 0.00 174.62 174.40 1r3j s LEU 179 N 1.16 4.57 -0.24 4.42 2.96 -0.13 -1.28 118.68 130.14 1r3j s LEU 179 Ca -0.00 -0.69 -0.07 0.00 -0.22 0.00 0.00 54.13 53.15 1r3j s LEU 179 Cb -0.14 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 1r3j s LEU 179 CO -0.07 -0.30 0.06 -0.89 -1.32 0.00 0.00 176.35 173.82 1r3j s THR 180 N 1.64 4.27 0.19 3.68 2.01 -0.69 -0.24 115.64 126.51 1r3j s THR 180 Ca 0.04 -0.19 0.08 0.00 0.31 0.00 0.00 61.69 61.93 1r3j s THR 180 Cb -0.18 -2.98 -0.05 0.00 0.01 0.00 0.00 72.50 69.30 1r3j s THR 180 CO 0.08 0.36 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.46 1r3j s LEU 181 N 1.47 2.53 0.68 4.42 1.43 0.76 -4.78 118.68 125.19 1r3j s LEU 181 Ca 0.06 -0.99 -0.13 0.00 -1.03 0.00 0.00 54.13 52.04 1r3j s LEU 181 Cb -0.15 -0.69 0.01 0.00 0.03 0.00 0.00 46.19 45.39 1r3j s LEU 181 CO 0.03 -0.15 1.08 0.42 0.23 0.00 0.00 176.35 177.96 1r3j s THR 182 N -2.81 3.57 0.22 5.49 -4.23 -1.26 -1.37 115.64 115.26 1r3j s THR 182 Ca 0.21 0.62 -0.07 0.00 -1.18 0.00 0.00 61.69 61.27 1r3j s THR 182 Cb -0.02 -3.18 0.17 0.00 1.34 0.00 0.00 72.50 70.81 1r3j s THR 182 CO 0.07 -0.56 1.76 0.50 -0.54 0.00 0.00 174.62 175.84 1r3j h LYS 183 N -0.35 0.48 -0.30 3.99 3.64 -1.69 -0.78 116.57 121.56 1r3j h LYS 183 Ca -0.45 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 58.93 1r3j h LYS 183 Cb 1.23 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 1r3j h LYS 183 CO 0.55 0.32 0.12 -0.44 -2.27 0.00 0.00 179.45 177.73 1r3j h ASP 184 N 0.50 0.15 -0.35 4.20 5.19 -1.91 -1.48 116.42 122.72 1r3j h ASP 184 Ca 0.35 0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.79 1r3j h ASP 184 Cb 0.43 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.92 1r3j h ASP 184 CO -0.31 0.13 0.21 -0.08 -3.12 0.00 0.00 179.24 176.07 1r3j h GLU 185 N 0.26 0.42 -0.57 3.56 4.57 -1.73 -2.19 114.58 118.91 1r3j h GLU 185 Ca 0.13 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.34 1r3j h GLU 185 Cb 0.08 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 1r3j h GLU 185 CO -0.12 0.28 0.38 -0.92 -1.18 0.00 0.00 179.01 177.45 1r3j h TYR 186 N 0.43 0.55 -0.08 0.92 3.20 -0.78 -2.64 116.97 118.58 1r3j h TYR 186 Ca 0.13 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.89 1r3j h TYR 186 Cb -0.02 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 1r3j h TYR 186 CO -0.07 0.30 -0.52 0.93 -1.64 0.00 0.00 178.16 177.17 1r3j h GLU 187 N 0.55 0.21 -0.76 1.82 4.39 -0.64 -3.22 114.58 116.94 1r3j h GLU 187 Ca 0.24 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1r3j h GLU 187 Cb 0.26 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1r3j h GLU 187 CO -0.07 0.68 0.00 2.89 -1.16 0.00 0.00 179.01 181.35 1r3j n ARG 188 N -3.94 1.47 -4.10 2.33 1.85 -0.99 -4.82 116.66 108.45 1r3j n ARG 188 Ca -0.02 -0.42 -0.10 0.00 -1.00 0.00 0.00 57.85 56.31 1r3j n ARG 188 Cb 0.55 -1.49 -0.10 0.00 -1.05 0.00 0.00 32.46 30.37 1r3j n ARG 188 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1r3j s HIS 189 N -1.38 0.67 -0.08 2.89 3.76 -1.22 -5.11 115.29 114.84 1r3j s HIS 189 Ca 0.07 -0.82 -0.10 0.00 -0.15 0.00 0.00 55.06 54.07 1r3j s HIS 189 Cb 0.05 -0.42 -0.03 0.00 1.11 0.00 0.00 32.58 33.29 1r3j s HIS 189 CO 0.03 -0.20 -0.19 -1.71 -0.85 0.00 0.00 174.74 171.82 1r3j n ASN 190 N 0.53 1.28 -4.72 1.40 4.05 -1.26 -4.75 115.26 111.78 1r3j n ASN 190 Ca -0.16 0.21 -0.35 0.00 0.45 0.00 0.00 54.58 54.72 1r3j n ASN 190 Cb 0.59 -0.56 -0.09 0.00 1.23 0.00 0.00 39.78 40.95 1r3j n ASN 190 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1r3j s SER 191 N -5.51 5.57 -0.07 1.20 1.04 -1.26 -0.21 113.70 114.47 1r3j s SER 191 Ca -0.16 0.21 0.04 0.00 0.48 0.00 0.00 55.95 56.53 1r3j s SER 191 Cb 0.02 -1.70 -0.00 0.00 0.10 0.00 0.00 66.02 64.45 1r3j s SER 191 CO 0.23 0.36 -0.20 -0.31 0.98 0.00 0.00 173.24 174.30 1r3j s TYR 192 N -0.74 2.11 0.03 5.02 1.51 -0.97 -0.40 117.35 123.90 1r3j s TYR 192 Ca 0.12 -0.75 0.03 0.00 -1.01 0.00 0.00 57.07 55.47 1r3j s TYR 192 Cb -0.12 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.29 1r3j s TYR 192 CO 0.02 -0.29 -0.10 0.95 -1.11 0.00 0.00 175.55 175.03 1r3j s THR 193 N 0.22 0.73 -0.16 -0.71 -4.23 0.10 -2.27 115.64 109.32 1r3j s THR 193 Ca -0.11 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.58 1r3j s THR 193 Cb -0.15 -0.70 0.01 0.00 1.34 0.00 0.00 72.50 73.00 1r3j s THR 193 CO 0.05 -0.10 -0.17 0.00 -0.54 0.00 0.00 174.62 173.87 1r3j s GLU 195 N 0.99 3.10 -0.14 0.00 2.02 0.10 -1.47 118.70 123.29 1r3j s GLU 195 Ca -0.02 -0.85 -0.00 0.00 0.02 0.00 0.00 54.97 54.12 1r3j s GLU 195 Cb -0.15 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.70 1r3j s GLU 195 CO -0.04 0.15 -0.14 0.00 0.02 0.00 0.00 175.26 175.26 1r3j s ALA 196 N 0.42 2.58 -0.21 5.21 0.00 0.98 -0.47 121.76 130.27 1r3j s ALA 196 Ca -0.16 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 50.81 1r3j s ALA 196 Cb -0.17 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 1r3j s ALA 196 CO 0.07 0.13 -0.03 0.99 0.00 0.00 0.00 175.76 176.93 1r3j s THR 197 N 0.54 3.63 0.00 0.00 2.01 -0.23 -0.46 115.64 121.14 1r3j s THR 197 Ca -0.09 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 1r3j s THR 197 Cb -0.16 -2.64 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 1r3j s THR 197 CO 0.04 0.43 0.01 -2.28 -0.69 0.00 0.00 174.62 172.12 1r3j s HIS 198 N 1.23 0.10 0.59 4.92 2.46 -1.26 -2.41 115.29 120.92 1r3j s HIS 198 Ca 0.03 -0.19 0.32 0.00 0.47 0.00 0.00 55.06 55.69 1r3j s HIS 198 Cb -0.14 -0.08 1.23 0.00 -0.13 0.00 0.00 32.58 33.45 1r3j s HIS 198 CO -0.00 -0.10 1.50 -0.22 -2.47 0.00 0.00 174.74 173.45 1r3j h LYS 199 N 5.39 0.00 0.00 2.88 3.64 -1.96 0.85 116.57 127.37 1r3j h LYS 199 Ca -0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1r3j h LYS 199 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1r3j h LYS 199 CO 0.45 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.88 1r3j n THR 200 N -3.53 0.84 -3.70 1.00 -2.24 -1.26 -4.76 114.28 100.63 1r3j n THR 200 Ca 0.24 0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 62.11 1r3j n THR 200 Cb 1.44 -1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.51 1r3j n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1r3j s SER 201 N -3.86 -0.53 0.40 3.42 0.15 0.29 -5.00 113.70 108.57 1r3j s SER 201 Ca 0.06 0.96 0.15 0.00 0.70 0.00 0.00 55.95 57.82 1r3j s SER 201 Cb 0.10 0.90 0.83 0.00 -1.71 0.00 0.00 66.02 66.14 1r3j s SER 201 CO 0.37 -0.18 1.86 0.71 1.20 0.00 0.00 173.24 177.20 1r3j h THR 202 N 4.93 1.12 -2.88 6.45 1.35 -1.86 -3.39 112.91 118.63 1r3j h THR 202 Ca -0.31 -1.17 -0.63 0.00 -0.55 0.00 0.00 66.41 63.75 1r3j h THR 202 Cb 1.18 1.65 -0.05 0.00 -1.73 0.00 0.00 68.15 69.20 1r3j h THR 202 CO 0.24 0.32 -0.40 -0.44 -0.25 0.00 0.00 175.52 175.00 1r3j s SER 203 N -6.78 6.48 0.50 5.36 0.01 -1.26 -5.04 113.70 112.97 1r3j s SER 203 Ca -0.03 0.53 -0.19 0.00 1.31 0.00 0.00 55.95 57.58 1r3j s SER 203 Cb 0.14 -2.08 -0.08 0.00 0.21 0.00 0.00 66.02 64.21 1r3j s SER 203 CO 0.70 0.26 1.03 -2.16 0.41 0.00 0.00 173.24 173.48 1r3j s PRO 204 N -1.74 3.77 -0.22 12.44 0.04 -1.26 -4.82 135.00 143.21 1r3j s PRO 204 Ca 0.27 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.42 1r3j s PRO 204 Cb -0.13 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1r3j s PRO 204 CO 0.16 -0.45 0.50 0.42 0.04 0.00 0.00 177.00 177.67 1r3j s ILE 205 N -2.11 5.11 0.05 0.56 1.01 0.39 -4.88 121.20 121.34 1r3j s ILE 205 Ca 0.66 0.89 0.09 0.00 0.00 0.00 0.00 60.65 62.29 1r3j s ILE 205 Cb -0.15 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1r3j s ILE 205 CO 0.23 0.17 -0.26 0.68 0.00 0.00 0.00 174.94 175.75 1r3j s VAL 206 N 1.75 2.13 -0.04 2.92 -7.23 -1.26 -0.01 120.40 118.65 1r3j s VAL 206 Ca 0.22 -1.42 -0.01 0.00 -1.81 0.00 0.00 61.98 58.96 1r3j s VAL 206 Cb -0.15 -1.83 0.03 0.00 0.56 0.00 0.00 36.38 34.99 1r3j s VAL 206 CO 0.09 0.33 0.09 -0.54 -0.31 0.00 0.00 175.10 174.76 1r3j s LYS 207 N -1.33 0.03 0.31 4.82 -0.14 -0.54 -5.00 119.74 117.89 1r3j s LYS 207 Ca 0.12 0.28 0.05 0.00 -1.36 0.00 0.00 55.97 55.05 1r3j s LYS 207 Cb -0.10 -0.21 -0.03 0.00 -1.68 0.00 0.00 37.83 35.81 1r3j s LYS 207 CO 0.02 -0.16 0.21 -1.12 -0.76 0.00 0.00 175.35 173.54 1r3j s SER 208 N 1.11 1.54 -0.21 2.83 0.01 -1.26 -0.61 113.70 117.11 1r3j s SER 208 Ca -0.09 -1.64 -0.27 0.00 1.31 0.00 0.00 55.95 55.25 1r3j s SER 208 Cb -0.12 0.48 0.11 0.00 0.21 0.00 0.00 66.02 66.70 1r3j s SER 208 CO -0.04 -0.97 0.93 0.72 0.41 0.00 0.00 173.24 174.28 1r3j s PHE 209 N -3.57 -0.51 -0.19 2.43 -0.12 -0.96 -5.01 117.98 110.04 1r3j s PHE 209 Ca 0.37 1.10 -0.11 0.00 -0.05 0.00 0.00 56.93 58.24 1r3j s PHE 209 Cb 0.04 0.38 -0.05 0.00 -0.63 0.00 0.00 43.02 42.76 1r3j s PHE 209 CO 0.21 -0.34 0.17 -0.80 -0.05 0.00 0.00 175.22 174.41 1r3j s ASN 210 N -0.38 6.25 0.62 1.98 -0.87 -1.26 -2.30 114.94 118.98 1r3j s ASN 210 Ca -0.01 0.28 0.28 0.00 -1.57 0.00 0.00 52.86 51.84 1r3j s ASN 210 Cb -0.03 -2.11 1.49 0.00 -0.02 0.00 0.00 41.25 40.58 1r3j s ASN 210 CO -0.00 0.16 1.88 -0.09 -2.57 0.00 0.00 177.10 176.47 1r3j h ARG 211 N 6.73 0.00 -0.02 -0.60 2.43 -0.88 -3.49 114.38 118.55 1r3j h ARG 211 Ca -0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1r3j h ARG 211 Cb 1.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1r3j h ARG 211 CO 0.75 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 179.30