#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e4j s SER 24 N 0.00 -0.50 -0.41 1.61 0.15 -1.26 -5.12 113.70 108.17 2e4j s SER 24 Ca 0.00 0.96 0.07 0.00 0.70 0.00 0.00 55.95 57.68 2e4j s SER 24 Cb 0.00 0.97 0.18 0.00 -1.71 0.00 0.00 66.02 65.46 2e4j s SER 24 CO 0.00 -0.17 0.67 -1.58 1.20 0.00 0.00 173.24 173.36 2e4j s GLN 25 N 0.31 0.80 0.63 5.44 0.74 -1.26 -5.16 119.66 121.16 2e4j s GLN 25 Ca -0.01 -0.33 0.01 0.00 0.05 0.00 0.00 55.36 55.09 2e4j s GLN 25 Cb -0.04 0.08 0.08 0.00 1.10 0.00 0.00 33.01 34.23 2e4j s GLN 25 CO -0.00 -1.14 0.87 0.20 -0.55 0.00 0.00 175.29 174.67 2e4j s GLY 26 N 1.76 1.79 0.00 2.59 0.00 -1.26 -5.05 107.32 107.15 2e4j s GLY 26 Ca 0.17 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.34 2e4j s GLY 26 CO -0.07 -1.14 0.00 1.57 0.00 0.00 0.00 173.10 173.46 2e4j n HIS 27 N -2.55 0.00 1.06 1.90 -0.00 -1.26 -4.72 115.22 109.65 2e4j n HIS 27 Ca 0.11 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.37 2e4j n HIS 27 Cb 0.60 0.04 0.24 0.00 -0.12 0.00 0.00 29.99 30.75 2e4j n HIS 27 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2e4j n ASP 28 N -2.58 1.71 -1.23 0.26 8.00 -1.26 -5.04 116.55 116.42 2e4j n ASP 28 Ca 0.00 -1.88 0.14 0.00 0.71 0.00 0.00 54.79 53.76 2e4j n ASP 28 Cb 0.41 -0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 41.28 2e4j n ASP 28 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2e4j n THR 29 N 0.40 -0.17 -4.09 -3.53 -2.24 -1.26 -4.94 114.28 98.44 2e4j n THR 29 Ca 0.13 0.46 -0.14 0.00 -2.27 0.00 0.00 64.05 62.22 2e4j n THR 29 Cb 0.30 -0.83 -0.12 0.00 -2.10 0.00 0.00 70.33 67.58 2e4j n THR 29 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2e4j s VAL 30 N -3.52 0.65 -0.31 2.28 -7.23 -1.26 -4.67 120.40 106.33 2e4j s VAL 30 Ca 0.00 -1.09 -0.28 0.00 -1.81 0.00 0.00 61.98 58.80 2e4j s VAL 30 Cb 0.00 -0.69 -0.02 0.00 0.56 0.00 0.00 36.38 36.23 2e4j s VAL 30 CO 0.00 -0.33 1.86 -1.58 -0.31 0.00 0.00 175.10 174.74 2e4j s GLN 31 N -1.54 3.31 0.75 4.82 2.00 -0.94 -4.97 119.66 123.08 2e4j s GLN 31 Ca -0.08 1.52 -0.13 0.00 -2.00 0.00 0.00 55.36 54.67 2e4j s GLN 31 Cb -0.10 -4.22 0.05 0.00 0.80 0.00 0.00 33.01 29.54 2e4j s GLN 31 CO 0.01 -1.89 1.14 -2.14 -0.50 0.00 0.00 175.29 171.90 2e4j s PRO 32 N 5.76 2.16 -0.30 1.67 0.02 -1.26 -4.46 135.00 138.58 2e4j s PRO 32 Ca 0.83 1.47 -0.06 0.00 0.02 0.00 0.00 61.00 63.25 2e4j s PRO 32 Cb -0.24 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.42 2e4j s PRO 32 CO 0.34 -1.76 0.18 0.09 -0.33 0.00 0.00 177.00 175.52 2e4j n ASN 33 N -3.10 -7.67 -4.15 2.53 3.02 -1.26 -5.01 115.26 99.61 2e4j n ASN 33 Ca 0.11 0.99 -0.33 0.00 -0.03 0.00 0.00 54.58 55.32 2e4j n ASN 33 Cb 0.52 -4.61 -0.16 0.00 -0.61 0.00 0.00 39.78 34.92 2e4j n ASN 33 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2e4j s PHE 34 N -1.76 2.79 -0.46 3.10 2.19 -1.26 -5.08 117.98 117.49 2e4j s PHE 34 Ca 0.08 -1.53 -0.08 0.00 0.33 0.00 0.00 56.93 55.73 2e4j s PHE 34 Cb -0.02 -1.93 0.12 0.00 -1.31 0.00 0.00 43.02 39.87 2e4j s PHE 34 CO 0.68 -0.76 0.33 -0.65 1.83 0.00 0.00 175.22 176.65 2e4j s GLN 35 N 1.27 2.41 0.29 10.12 -0.21 -1.26 -4.93 119.66 127.35 2e4j s GLN 35 Ca 0.04 -1.77 0.02 0.00 0.02 0.00 0.00 55.36 53.67 2e4j s GLN 35 Cb -0.13 -3.88 0.60 0.00 1.00 0.00 0.00 33.01 30.60 2e4j s GLN 35 CO -0.11 -1.18 1.83 1.96 -2.12 0.00 0.00 175.29 175.67 2e4j h GLN 36 N 8.40 0.92 0.00 2.91 4.20 -1.98 0.16 115.11 129.72 2e4j h GLN 36 Ca -0.20 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 2e4j h GLN 36 Cb 1.07 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.64 2e4j h GLN 36 CO 0.84 0.61 -0.04 -0.44 -0.67 0.00 0.00 178.83 179.12 2e4j h ASP 37 N 0.95 0.00 0.97 1.46 5.19 -1.96 0.84 116.42 123.88 2e4j h ASP 37 Ca 0.51 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.92 2e4j h ASP 37 Cb 0.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.08 2e4j h ASP 37 CO -0.28 0.04 -0.83 0.11 -3.12 0.00 0.00 179.24 175.16 2e4j h LYS 38 N 0.00 0.00 -0.05 3.56 1.79 -1.11 -3.34 116.57 117.42 2e4j h LYS 38 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2e4j h LYS 38 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 2e4j h LYS 38 CO 0.01 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.57 2e4j n PHE 39 N -2.47 0.06 -1.31 -1.35 3.01 -0.46 -5.01 117.46 109.93 2e4j n PHE 39 Ca 0.01 -0.14 -0.29 0.00 1.01 0.00 0.00 57.45 58.04 2e4j n PHE 39 Cb 0.51 -0.01 0.16 0.00 -0.01 0.00 0.00 39.48 40.12 2e4j n PHE 39 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 2e4j s LEU 40 N -0.60 1.77 0.00 4.37 2.96 0.28 -4.91 118.68 122.55 2e4j s LEU 40 Ca 0.08 1.10 0.00 0.00 -0.22 0.00 0.00 54.13 55.09 2e4j s LEU 40 Cb 0.05 -3.35 0.00 0.00 0.50 0.00 0.00 46.19 43.39 2e4j s LEU 40 CO 0.07 -2.90 0.00 0.61 -1.32 0.00 0.00 176.35 172.81 2e4j n GLY 41 N -1.53 -1.76 3.76 7.98 0.00 -1.25 -4.96 105.19 107.43 2e4j n GLY 41 Ca 0.06 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 2e4j n GLY 41 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2e4j s ARG 42 N 0.00 4.64 -0.02 1.61 1.04 -1.26 -2.82 118.95 122.14 2e4j s ARG 42 Ca 0.00 1.27 0.01 0.00 -1.04 0.00 0.00 55.73 55.97 2e4j s ARG 42 Cb 0.00 -3.30 0.01 0.00 -2.04 0.00 0.00 34.95 29.62 2e4j s ARG 42 CO 0.00 0.45 -0.03 -1.58 -0.04 0.00 0.00 175.30 174.10 2e4j s TRP 43 N -0.77 0.41 0.63 5.89 0.52 0.04 -5.02 118.94 120.63 2e4j s TRP 43 Ca 0.39 -0.06 -0.13 0.00 0.02 0.00 0.00 56.10 56.31 2e4j s TRP 43 Cb -0.23 -0.37 -0.02 0.00 -1.15 0.00 0.00 33.47 31.70 2e4j s TRP 43 CO 0.28 -0.08 1.05 0.71 0.02 0.00 0.00 176.95 178.92 2e4j s TYR 44 N 0.47 3.16 -0.01 -1.98 2.02 -1.26 -1.00 117.35 118.74 2e4j s TYR 44 Ca -0.05 1.45 0.05 0.00 -0.37 0.00 0.00 57.07 58.14 2e4j s TYR 44 Cb -0.08 -2.90 -0.01 0.00 -0.40 0.00 0.00 41.96 38.57 2e4j s TYR 44 CO -0.01 -1.02 -0.15 -1.12 -1.57 0.00 0.00 175.55 171.68 2e4j s SER 45 N -3.37 1.81 -0.33 2.29 0.01 -1.04 -0.19 113.70 112.88 2e4j s SER 45 Ca 0.60 -0.28 0.03 0.00 1.31 0.00 0.00 55.95 57.61 2e4j s SER 45 Cb -0.14 -0.23 0.19 0.00 0.21 0.00 0.00 66.02 66.05 2e4j s SER 45 CO 0.45 0.18 1.21 0.00 0.41 0.00 0.00 173.24 175.50 2e4j n ALA 46 N 2.74 -2.44 -3.16 1.44 0.00 -1.23 -4.20 120.51 113.66 2e4j n ALA 46 Ca -0.15 -0.50 0.04 0.00 0.00 0.00 0.00 53.44 52.84 2e4j n ALA 46 Cb 0.55 -1.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.11 2e4j n ALA 46 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2e4j s GLY 47 N -0.27 0.26 -0.24 0.00 0.00 -1.15 -4.43 107.32 101.49 2e4j s GLY 47 Ca 0.11 3.62 -0.19 0.00 0.00 0.00 0.00 44.72 48.27 2e4j s GLY 47 CO -0.09 3.51 0.61 1.08 0.00 0.00 0.00 173.10 178.21 2e4j s LEU 48 N 2.20 -0.47 -0.18 0.66 1.43 0.12 0.19 118.68 122.62 2e4j s LEU 48 Ca -0.01 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 2e4j s LEU 48 Cb -0.02 2.10 0.01 0.00 0.03 0.00 0.00 46.19 48.32 2e4j s LEU 48 CO -0.14 -0.22 -0.17 0.00 0.23 0.00 0.00 176.35 176.05 2e4j s ALA 49 N 0.75 2.43 -0.23 4.21 0.00 0.15 0.23 121.76 129.30 2e4j s ALA 49 Ca -0.03 -1.18 -0.21 0.00 0.00 0.00 0.00 51.96 50.54 2e4j s ALA 49 Cb -0.05 -1.26 0.06 0.00 0.00 0.00 0.00 23.12 21.87 2e4j s ALA 49 CO -0.05 -0.29 0.61 -1.12 0.00 0.00 0.00 175.76 174.91 2e4j s SER 50 N 1.21 -0.66 -0.10 0.00 0.01 -1.09 0.12 113.70 113.21 2e4j s SER 50 Ca 0.03 1.25 -0.07 0.00 1.31 0.00 0.00 55.95 58.47 2e4j s SER 50 Cb -0.14 1.25 -0.05 0.00 0.21 0.00 0.00 66.02 67.29 2e4j s SER 50 CO -0.08 -0.22 0.21 -1.13 0.41 0.00 0.00 173.24 172.44 2e4j h ASN 51 N 5.35 -0.06 -0.57 2.44 -0.73 -1.86 -3.37 115.58 116.78 2e4j h ASN 51 Ca -0.29 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 57.74 2e4j h ASN 51 Cb 1.17 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.78 2e4j h ASN 51 CO 0.13 0.50 0.00 -1.54 -0.37 0.00 0.00 177.43 176.14 2e4j n SER 52 N -4.81 -0.23 -1.98 1.15 3.41 -1.26 -4.90 113.62 105.00 2e4j n SER 52 Ca -0.02 -0.23 -0.03 0.00 -0.26 0.00 0.00 58.87 58.33 2e4j n SER 52 Cb 0.10 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 2e4j n SER 52 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2e4j n SER 53 N -1.04 -1.45 -4.58 4.04 2.88 -1.26 -4.83 113.62 107.39 2e4j n SER 53 Ca 0.00 0.64 -0.44 0.00 -1.33 0.00 0.00 58.87 57.74 2e4j n SER 53 Cb 0.00 -2.99 -0.04 0.00 -0.75 0.00 0.00 64.21 60.44 2e4j n SER 53 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2e4j n TRP 54 N 0.80 1.92 0.03 0.66 7.02 -1.26 -4.83 117.44 121.78 2e4j n TRP 54 Ca -0.19 -0.07 -0.02 0.00 -1.02 0.00 0.00 57.50 56.20 2e4j n TRP 54 Cb 0.29 -2.70 0.26 0.00 -2.42 0.00 0.00 31.31 26.74 2e4j n TRP 54 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 2e4j h PHE 55 N 14.64 0.48 -0.30 -5.99 0.04 -1.96 -2.75 116.94 121.09 2e4j h PHE 55 Ca -0.39 -0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.22 2e4j h PHE 55 Cb 1.25 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 39.26 2e4j h PHE 55 CO 0.94 0.60 -0.16 0.07 -0.60 0.00 0.00 178.31 179.16 2e4j h ARG 56 N 0.40 0.53 -0.00 1.51 -0.00 -1.95 1.09 114.38 115.96 2e4j h ARG 56 Ca 0.07 -0.17 0.00 0.00 -0.00 0.00 0.00 59.98 59.88 2e4j h ARG 56 Cb 0.54 -0.05 -0.00 0.00 -0.00 0.00 0.00 29.97 30.46 2e4j h ARG 56 CO 0.04 0.68 0.01 0.93 -0.00 0.00 0.00 179.97 181.62 2e4j h GLU 57 N 0.48 0.00 0.00 0.08 3.07 -1.88 -1.20 114.58 115.14 2e4j h GLU 57 Ca 0.08 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.89 2e4j h GLU 57 Cb 0.56 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 2e4j h GLU 57 CO 0.04 0.00 -1.19 1.63 -1.40 0.00 0.00 179.01 178.09 2e4j n LYS 58 N -3.12 3.41 0.28 2.33 5.02 -0.91 -4.59 118.16 120.57 2e4j n LYS 58 Ca -0.03 -0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.42 2e4j n LYS 58 Cb 0.08 -1.07 0.74 0.00 -0.02 0.00 0.00 35.03 34.76 2e4j n LYS 58 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2e4j h LYS 59 N 0.00 0.00 -0.71 1.97 1.63 0.14 -0.02 116.57 119.58 2e4j h LYS 59 Ca -0.07 0.00 0.21 0.00 -0.85 0.00 0.00 60.65 59.93 2e4j h LYS 59 Cb 1.16 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.77 2e4j h LYS 59 CO 0.00 0.06 0.55 0.00 -3.45 0.00 0.00 179.45 176.61 2e4j h ALA 60 N 1.94 2.62 0.00 5.00 0.00 -1.43 -2.18 119.26 125.20 2e4j h ALA 60 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2e4j h ALA 60 Cb 0.44 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2e4j h ALA 60 CO 0.01 -0.91 -1.15 1.33 0.00 0.00 0.00 179.25 178.53 2e4j n VAL 61 N -4.17 0.07 -2.01 0.00 0.24 -1.02 -5.09 118.33 106.34 2e4j n VAL 61 Ca 0.14 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 2e4j n VAL 61 Cb 0.81 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 2e4j n VAL 61 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2e4j n LEU 62 N -1.78 -2.56 -4.75 1.34 -0.00 -0.05 -4.72 117.00 104.47 2e4j n LEU 62 Ca -0.02 0.43 -0.33 0.00 -0.00 0.00 0.00 56.01 56.09 2e4j n LEU 62 Cb 0.26 -0.96 -0.08 0.00 -0.00 0.00 0.00 43.42 42.65 2e4j n LEU 62 CO 0.06 -1.34 -0.27 -0.72 -0.00 0.00 0.00 177.39 175.12 2e4j s TYR 63 N -0.28 3.23 1.29 1.47 -0.85 -1.26 -4.78 117.35 116.17 2e4j s TYR 63 Ca 0.00 0.18 -0.20 0.00 -0.52 0.00 0.00 57.07 56.53 2e4j s TYR 63 Cb 0.00 -1.73 0.31 0.00 0.38 0.00 0.00 41.96 40.92 2e4j s TYR 63 CO 0.00 0.53 0.70 -1.33 -1.52 0.00 0.00 175.55 173.93 2e4j n MET 64 N 1.32 -3.55 -3.67 -3.49 2.81 -0.14 -4.42 117.12 105.98 2e4j n MET 64 Ca -0.14 -1.17 -0.08 0.00 -1.81 0.00 0.00 57.70 54.50 2e4j n MET 64 Cb 0.53 -1.73 -0.09 0.00 -0.71 0.00 0.00 33.22 31.22 2e4j n MET 64 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2e4j s LYS 66 N 2.17 0.45 0.14 0.00 2.36 -0.14 -2.50 119.74 122.22 2e4j s LYS 66 Ca -0.06 -0.84 -0.25 0.00 -2.55 0.00 0.00 55.97 52.28 2e4j s LYS 66 Cb -0.10 -1.52 -0.08 0.00 -1.05 0.00 0.00 37.83 35.09 2e4j s LYS 66 CO -0.15 -1.03 0.77 0.99 1.55 0.00 0.00 175.35 177.49 2e4j s THR 67 N 1.79 4.43 0.00 3.43 2.01 -0.17 -2.74 115.64 124.40 2e4j s THR 67 Ca 0.10 1.67 0.07 0.00 0.31 0.00 0.00 61.69 63.85 2e4j s THR 67 Cb -0.17 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 2e4j s THR 67 CO -0.29 0.50 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.23 2e4j s VAL 68 N -0.99 2.41 -0.08 3.82 1.01 -0.39 -0.78 120.40 125.40 2e4j s VAL 68 Ca 0.36 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 61.25 2e4j s VAL 68 Cb -0.23 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 2e4j s VAL 68 CO 0.25 0.49 -0.15 -0.69 0.00 0.00 0.00 175.10 175.00 2e4j s VAL 69 N -0.74 2.96 -0.07 2.92 1.01 -1.13 -2.01 120.40 123.34 2e4j s VAL 69 Ca 0.12 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 61.06 2e4j s VAL 69 Cb -0.10 -2.19 0.08 0.00 0.00 0.00 0.00 36.38 34.17 2e4j s VAL 69 CO 0.01 0.56 0.73 0.00 0.00 0.00 0.00 175.10 176.40 2e4j s ALA 70 N -0.22 -1.79 0.38 5.51 0.00 -1.08 -3.92 121.76 120.63 2e4j s ALA 70 Ca 0.00 1.39 -0.26 0.00 0.00 0.00 0.00 51.96 53.09 2e4j s ALA 70 Cb -0.13 -0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.75 2e4j s ALA 70 CO 0.03 -0.36 1.17 -1.25 0.00 0.00 0.00 175.76 175.36 2e4j s PRO 71 N -1.11 4.17 0.58 0.00 0.04 -1.26 0.16 135.00 137.57 2e4j s PRO 71 Ca -0.09 1.87 0.08 0.00 0.04 0.00 0.00 61.00 62.90 2e4j s PRO 71 Cb -0.00 -2.78 0.08 0.00 0.04 0.00 0.00 34.50 31.83 2e4j s PRO 71 CO 0.08 -0.23 0.69 -1.12 0.04 0.00 0.00 177.00 176.46 2e4j s SER 72 N -1.03 4.91 0.94 6.66 0.01 0.13 -4.38 113.70 120.94 2e4j s SER 72 Ca 0.55 -1.02 -0.12 0.00 1.31 0.00 0.00 55.95 56.67 2e4j s SER 72 Cb -0.32 0.44 0.15 0.00 0.21 0.00 0.00 66.02 66.51 2e4j s SER 72 CO 0.40 -1.33 1.09 0.42 0.41 0.00 0.00 173.24 174.23 2e4j s THR 73 N -2.73 2.50 0.00 1.44 -4.23 -1.26 -3.90 115.64 107.46 2e4j s THR 73 Ca 0.53 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 2e4j s THR 73 Cb -0.04 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.26 2e4j s THR 73 CO 0.34 -0.21 0.00 -0.62 -0.54 0.00 0.00 174.62 173.59 2e4j n GLU 74 N -4.07 0.00 -2.54 3.99 1.02 -1.26 -2.61 120.64 115.17 2e4j n GLU 74 Ca 0.07 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.17 2e4j n GLU 74 Cb 0.55 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.98 2e4j n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2e4j n GLY 75 N 0.00 -0.30 0.00 0.62 0.00 -1.26 -5.16 105.19 99.09 2e4j n GLY 75 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2e4j n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e4j n GLY 76 N -0.52 6.73 2.87 -0.02 0.00 -1.07 -4.23 105.19 108.94 2e4j n GLY 76 Ca -0.20 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 2e4j n GLY 76 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2e4j s LEU 77 N 0.00 1.59 -0.40 0.99 2.96 0.52 -0.69 118.68 123.66 2e4j s LEU 77 Ca 0.00 0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 53.92 2e4j s LEU 77 Cb 0.00 0.08 0.08 0.00 0.50 0.00 0.00 46.19 46.85 2e4j s LEU 77 CO 0.00 -0.05 0.21 0.21 -1.32 0.00 0.00 176.35 175.40 2e4j s ASN 78 N 0.37 5.43 -0.35 3.68 3.84 0.41 0.67 114.94 129.00 2e4j s ASN 78 Ca -0.03 -1.60 -0.13 0.00 0.21 0.00 0.00 52.86 51.32 2e4j s ASN 78 Cb -0.04 -1.91 -0.01 0.00 -0.55 0.00 0.00 41.25 38.74 2e4j s ASN 78 CO -0.01 -0.50 0.24 -0.22 -2.79 0.00 0.00 177.10 173.82 2e4j s LEU 79 N 1.33 4.58 -0.34 3.21 2.96 0.48 -2.65 118.68 128.24 2e4j s LEU 79 Ca 0.03 -0.54 -0.14 0.00 -0.22 0.00 0.00 54.13 53.25 2e4j s LEU 79 Cb -0.22 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 2e4j s LEU 79 CO 0.00 -0.27 0.31 -0.89 -1.32 0.00 0.00 176.35 174.17 2e4j s THR 80 N 1.69 5.22 -0.21 3.68 2.01 -0.85 0.26 115.64 127.44 2e4j s THR 80 Ca 0.05 -0.09 -0.10 0.00 0.31 0.00 0.00 61.69 61.87 2e4j s THR 80 Cb -0.18 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 2e4j s THR 80 CO 0.10 -0.07 0.13 -0.44 -0.69 0.00 0.00 174.62 173.65 2e4j s SER 81 N 1.73 6.01 -0.03 3.53 0.01 -0.79 -1.26 113.70 122.90 2e4j s SER 81 Ca 0.09 0.13 0.07 0.00 1.31 0.00 0.00 55.95 57.56 2e4j s SER 81 Cb -0.17 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 2e4j s SER 81 CO 0.11 0.12 -0.25 0.28 0.41 0.00 0.00 173.24 173.91 2e4j s THR 82 N 0.69 2.00 0.24 1.44 -1.32 -1.11 -0.70 115.64 116.88 2e4j s THR 82 Ca 0.07 -1.07 0.11 0.00 -1.21 0.00 0.00 61.69 59.58 2e4j s THR 82 Cb -0.12 -1.66 -0.05 0.00 -1.51 0.00 0.00 72.50 69.16 2e4j s THR 82 CO 0.01 0.56 -0.20 -0.36 -2.21 0.00 0.00 174.62 172.42 2e4j s PHE 83 N -0.52 2.19 -0.26 9.09 0.40 -1.16 -0.96 117.98 126.76 2e4j s PHE 83 Ca 0.08 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.05 2e4j s PHE 83 Cb -0.10 -1.00 0.06 0.00 0.51 0.00 0.00 43.02 42.49 2e4j s PHE 83 CO -0.00 0.59 -0.07 -1.17 0.70 0.00 0.00 175.22 175.27 2e4j s LEU 84 N -3.21 3.32 0.41 -0.37 0.20 -1.11 -1.99 118.68 115.92 2e4j s LEU 84 Ca 0.26 -1.42 0.04 0.00 0.69 0.00 0.00 54.13 53.70 2e4j s LEU 84 Cb -0.05 -1.44 -0.02 0.00 -0.43 0.00 0.00 46.19 44.24 2e4j s LEU 84 CO 0.12 -0.23 0.16 0.00 -0.29 0.00 0.00 176.35 176.11 2e4j s ARG 85 N 1.17 1.95 0.66 1.98 1.70 -1.06 -0.97 118.95 124.38 2e4j s ARG 85 Ca -0.06 -2.19 0.32 0.00 -0.47 0.00 0.00 55.73 53.33 2e4j s ARG 85 Cb -0.20 -0.46 1.75 0.00 -0.57 0.00 0.00 34.95 35.47 2e4j s ARG 85 CO -0.06 -0.54 2.00 -0.22 -1.08 0.00 0.00 175.30 175.40 2e4j h LYS 86 N 1.79 0.00 -1.13 3.89 3.64 -1.92 0.12 116.57 122.96 2e4j h LYS 86 Ca -0.33 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.70 2e4j h LYS 86 Cb 1.27 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.91 2e4j h LYS 86 CO 0.52 0.00 0.45 -1.71 -2.27 0.00 0.00 179.45 176.44 2e4j n ASN 87 N -3.04 4.60 -0.66 4.20 5.15 -1.26 -5.02 115.26 119.23 2e4j n ASN 87 Ca -0.01 -3.07 0.01 0.00 -0.60 0.00 0.00 54.58 50.90 2e4j n ASN 87 Cb 0.35 -0.82 -0.00 0.00 -0.53 0.00 0.00 39.78 38.78 2e4j n ASN 87 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2e4j n GLN 88 N -0.32 -0.09 -3.05 1.20 7.27 0.41 -4.64 117.38 118.16 2e4j n GLN 88 Ca 0.37 0.06 -0.42 0.00 0.07 0.00 0.00 57.00 57.08 2e4j n GLN 88 Cb 1.01 -0.11 -0.06 0.00 2.41 0.00 0.00 30.24 33.49 2e4j n GLN 88 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2e4j s ALA 89 N -1.65 3.46 0.36 1.69 0.00 -1.26 -2.55 121.76 121.81 2e4j s ALA 89 Ca 0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 2e4j s ALA 89 Cb 0.00 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 2e4j s ALA 89 CO 0.00 -1.36 0.70 -2.00 0.00 0.00 0.00 175.76 173.10 2e4j s GLU 90 N 2.85 3.76 -0.28 0.00 2.12 -0.84 -4.93 118.70 121.37 2e4j s GLU 90 Ca 0.27 0.35 -0.03 0.00 0.36 0.00 0.00 54.97 55.92 2e4j s GLU 90 Cb -0.14 -2.47 0.03 0.00 0.26 0.00 0.00 34.13 31.81 2e4j s GLU 90 CO 0.15 0.06 -0.01 0.99 -0.54 0.00 0.00 175.26 175.91 2e4j s THR 91 N -2.25 3.19 0.13 -1.70 2.01 -1.26 -2.96 115.64 112.80 2e4j s THR 91 Ca 0.49 -1.04 0.06 0.00 0.31 0.00 0.00 61.69 61.51 2e4j s THR 91 Cb -0.10 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 2e4j s THR 91 CO 0.30 0.08 0.03 -0.75 -0.69 0.00 0.00 174.62 173.59 2e4j s LYS 92 N 1.35 2.57 -0.10 4.92 2.47 0.12 -5.03 119.74 126.04 2e4j s LYS 92 Ca -0.01 -0.93 0.02 0.00 -1.56 0.00 0.00 55.97 53.49 2e4j s LYS 92 Cb -0.18 -2.50 -0.01 0.00 -1.46 0.00 0.00 37.83 33.68 2e4j s LYS 92 CO -0.02 0.50 -0.16 0.42 0.16 0.00 0.00 175.35 176.25 2e4j s ILE 93 N -1.54 2.81 -0.09 5.43 1.01 -1.26 -1.89 121.20 125.68 2e4j s ILE 93 Ca 0.27 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 2e4j s ILE 93 Cb -0.11 -2.14 0.04 0.00 0.01 0.00 0.00 42.46 40.26 2e4j s ILE 93 CO 0.19 0.55 0.05 -0.04 0.00 0.00 0.00 174.94 175.69 2e4j s MET 94 N 0.11 0.22 -0.12 2.79 -1.94 0.14 -4.93 119.30 115.57 2e4j s MET 94 Ca -0.08 0.14 -0.04 0.00 -1.71 0.00 0.00 55.69 54.01 2e4j s MET 94 Cb -0.15 -1.03 -0.04 0.00 2.01 0.00 0.00 34.83 35.62 2e4j s MET 94 CO 0.05 -0.41 0.04 0.54 -0.01 0.00 0.00 175.02 175.23 2e4j s VAL 95 N 2.08 4.62 -0.10 -6.03 0.11 -1.26 0.18 120.40 120.00 2e4j s VAL 95 Ca 0.04 -0.12 0.02 0.00 -2.93 0.00 0.00 61.98 58.99 2e4j s VAL 95 Cb -0.13 -3.00 0.02 0.00 -1.53 0.00 0.00 36.38 31.73 2e4j s VAL 95 CO -0.05 0.56 -0.14 -0.76 -3.33 0.00 0.00 175.10 171.39 2e4j s LEU 96 N -0.51 1.64 -0.24 2.54 2.01 0.21 -4.87 118.68 119.47 2e4j s LEU 96 Ca 0.10 -0.38 -0.08 0.00 0.01 0.00 0.00 54.13 53.78 2e4j s LEU 96 Cb -0.12 -1.00 -0.03 0.00 0.01 0.00 0.00 46.19 45.05 2e4j s LEU 96 CO 0.02 0.01 0.08 -1.10 1.01 0.00 0.00 176.35 176.37 2e4j s GLN 97 N 0.97 3.76 0.07 1.70 -0.21 -1.26 0.20 119.66 124.89 2e4j s GLN 97 Ca -0.08 -0.43 -0.35 0.00 0.02 0.00 0.00 55.36 54.52 2e4j s GLN 97 Cb -0.15 -3.33 -0.15 0.00 1.00 0.00 0.00 33.01 30.38 2e4j s GLN 97 CO -0.01 -0.07 1.54 -2.30 -2.12 0.00 0.00 175.29 172.33 2e4j n PRO 98 N 4.60 1.70 -0.06 2.91 -0.02 -1.26 -2.96 135.00 139.90 2e4j n PRO 98 Ca -0.16 0.62 -0.06 0.00 -2.02 0.00 0.00 63.50 61.88 2e4j n PRO 98 Cb 0.52 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 2e4j n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2e4j h ALA 99 N 5.89 0.01 0.00 3.55 0.00 0.92 -3.46 119.26 126.17 2e4j h ALA 99 Ca -0.46 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2e4j h ALA 99 Cb 1.29 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2e4j h ALA 99 CO 0.86 0.06 0.00 0.41 0.00 0.00 0.00 179.25 180.58 2e4j n GLY 100 N 1.70 0.02 3.78 0.00 0.00 -1.24 -5.03 105.19 104.42 2e4j n GLY 100 Ca -0.05 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2e4j n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e4j s ALA 101 N -1.14 3.59 -0.87 4.61 0.00 -1.26 -4.99 121.76 121.69 2e4j s ALA 101 Ca 0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 51.96 51.08 2e4j s ALA 101 Cb 0.00 -1.74 -0.24 0.00 0.00 0.00 0.00 23.12 21.14 2e4j s ALA 101 CO 0.00 0.59 2.20 -2.30 0.00 0.00 0.00 175.76 176.26 2e4j n PRO 102 N 2.10 0.23 0.00 0.00 -0.02 -1.26 -0.61 135.00 135.44 2e4j n PRO 102 Ca -0.19 -0.41 0.00 0.00 -2.02 0.00 0.00 63.50 60.88 2e4j n PRO 102 Cb 0.54 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2e4j n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2e4j n GLY 103 N 6.01 1.98 2.72 -1.23 0.00 -1.26 -4.63 105.19 108.78 2e4j n GLY 103 Ca 0.55 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.33 2e4j n GLY 103 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2e4j s HIS 104 N -2.00 0.60 0.23 1.61 5.04 0.22 0.49 115.29 121.48 2e4j s HIS 104 Ca 0.00 -0.33 0.01 0.00 -1.54 0.00 0.00 55.06 53.20 2e4j s HIS 104 Cb 0.00 -0.80 -0.05 0.00 0.04 0.00 0.00 32.58 31.77 2e4j s HIS 104 CO 0.00 -0.42 0.09 0.71 -2.34 0.00 0.00 174.74 172.78 2e4j s TYR 105 N 2.00 1.41 -0.15 3.88 2.02 -0.79 0.14 117.35 125.86 2e4j s TYR 105 Ca 0.03 -1.20 -0.06 0.00 -0.37 0.00 0.00 57.07 55.47 2e4j s TYR 105 Cb -0.14 -0.80 0.07 0.00 -0.40 0.00 0.00 41.96 40.68 2e4j s TYR 105 CO -0.06 -0.38 0.32 0.95 -1.57 0.00 0.00 175.55 174.81 2e4j s THR 106 N -3.82 -0.33 -0.34 -0.71 -4.23 -1.16 -3.01 115.64 102.05 2e4j s THR 106 Ca 0.36 0.19 0.06 0.00 -1.18 0.00 0.00 61.69 61.12 2e4j s THR 106 Cb 0.07 -0.52 0.46 0.00 1.34 0.00 0.00 72.50 73.86 2e4j s THR 106 CO 0.12 0.08 1.28 0.00 -0.54 0.00 0.00 174.62 175.56 2e4j n TYR 107 N 4.94 2.82 -1.09 3.99 4.11 -1.15 -4.43 117.16 126.36 2e4j n TYR 107 Ca -0.14 -2.34 -0.15 0.00 -0.00 0.00 0.00 57.90 55.28 2e4j n TYR 107 Cb 0.51 -0.46 0.12 0.00 -0.00 0.00 0.00 39.34 39.51 2e4j n TYR 107 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 2e4j n SER 108 N -0.72 -0.82 0.01 9.48 3.41 -1.25 -4.67 113.62 119.06 2e4j n SER 108 Ca 0.46 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.05 2e4j n SER 108 Cb 0.92 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2e4j n SER 108 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2e4j n SER 109 N -3.71 -0.05 -2.73 4.04 7.64 -1.26 -5.00 113.62 112.55 2e4j n SER 109 Ca 0.08 0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2e4j n SER 109 Cb 0.29 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 2e4j n SER 109 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2e4j n PRO 110 N -2.59 0.03 -0.04 1.43 -0.04 -1.26 -5.02 135.00 127.51 2e4j n PRO 110 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2e4j n PRO 110 Cb 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 2e4j n PRO 110 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2e4j n HIS 111 N -1.50 0.00 -3.79 0.54 -0.00 -1.26 -4.93 115.22 104.27 2e4j n HIS 111 Ca 0.00 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.93 2e4j n HIS 111 Cb 0.00 -0.51 -0.17 0.00 -0.12 0.00 0.00 29.99 29.19 2e4j n HIS 111 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 2e4j s SER 112 N -4.20 2.06 0.21 0.26 1.04 -1.26 -5.10 113.70 106.72 2e4j s SER 112 Ca -0.06 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.05 2e4j s SER 112 Cb 0.07 -0.57 0.00 0.00 0.10 0.00 0.00 66.02 65.61 2e4j s SER 112 CO 0.59 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.22 2e4j n GLY 113 N 5.07 -1.93 4.21 7.32 0.00 -1.26 -4.92 105.19 113.68 2e4j n GLY 113 Ca -0.09 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 2e4j n GLY 113 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e4j n SER 114 N -0.85 -0.30 -4.24 1.61 2.88 -0.97 -4.62 113.62 107.13 2e4j n SER 114 Ca 0.00 -1.15 -0.13 0.00 -1.33 0.00 0.00 58.87 56.25 2e4j n SER 114 Cb 0.08 -2.22 -0.10 0.00 -0.75 0.00 0.00 64.21 61.21 2e4j n SER 114 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2e4j s ILE 115 N -3.98 0.72 -0.25 2.46 -4.36 -1.09 -4.30 121.20 110.39 2e4j s ILE 115 Ca 0.19 -1.98 -0.22 0.00 -0.26 0.00 0.00 60.65 58.38 2e4j s ILE 115 Cb -0.11 -2.08 0.07 0.00 1.25 0.00 0.00 42.46 41.59 2e4j s ILE 115 CO 0.96 -0.51 0.66 -2.28 0.24 0.00 0.00 174.94 174.01 2e4j s HIS 116 N -3.63 -0.78 0.12 1.37 2.46 -1.26 -2.09 115.29 111.47 2e4j s HIS 116 Ca 0.23 1.83 0.03 0.00 0.47 0.00 0.00 55.06 57.62 2e4j s HIS 116 Cb 0.06 0.31 -0.04 0.00 -0.13 0.00 0.00 32.58 32.78 2e4j s HIS 116 CO 0.03 -0.38 -0.09 -1.12 -2.47 0.00 0.00 174.74 170.72 2e4j s SER 117 N 0.58 1.45 -0.07 9.88 0.01 -1.16 -2.92 113.70 121.48 2e4j s SER 117 Ca -0.02 -0.97 -0.06 0.00 1.31 0.00 0.00 55.95 56.21 2e4j s SER 117 Cb -0.05 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.24 2e4j s SER 117 CO -0.03 -0.37 0.18 0.54 0.41 0.00 0.00 173.24 173.96 2e4j s VAL 118 N -3.29 -0.01 0.25 3.43 0.11 -1.16 -1.05 120.40 118.68 2e4j s VAL 118 Ca 0.13 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.21 2e4j s VAL 118 Cb 0.03 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.57 2e4j s VAL 118 CO -0.02 0.01 0.11 -0.55 -3.33 0.00 0.00 175.10 171.32 2e4j s SER 119 N 0.28 0.96 -0.10 3.54 0.15 0.47 -1.88 113.70 117.12 2e4j s SER 119 Ca -0.02 -1.39 -0.15 0.00 0.70 0.00 0.00 55.95 55.09 2e4j s SER 119 Cb -0.03 0.22 -0.05 0.00 -1.71 0.00 0.00 66.02 64.46 2e4j s SER 119 CO -0.01 -0.76 0.38 0.68 1.20 0.00 0.00 173.24 174.73 2e4j s VAL 120 N -3.84 5.19 -0.07 4.45 -7.23 0.18 -0.16 120.40 118.91 2e4j s VAL 120 Ca 0.38 0.75 -0.07 0.00 -1.81 0.00 0.00 61.98 61.23 2e4j s VAL 120 Cb 0.08 -3.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.29 2e4j s VAL 120 CO 0.13 0.44 -0.13 0.52 -0.31 0.00 0.00 175.10 175.75 2e4j n VAL 121 N 3.01 0.61 -3.61 1.32 0.31 0.25 -2.67 118.33 117.55 2e4j n VAL 121 Ca -0.11 0.36 -0.03 0.00 -0.01 0.00 0.00 64.34 64.55 2e4j n VAL 121 Cb 0.52 -1.85 -0.02 0.00 -0.91 0.00 0.00 33.84 31.58 2e4j n VAL 121 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2e4j s GLU 122 N -1.73 0.29 0.02 5.55 -1.05 -0.91 -2.22 118.70 118.65 2e4j s GLU 122 Ca -0.11 -0.12 0.04 0.00 -0.15 0.00 0.00 54.97 54.63 2e4j s GLU 122 Cb 0.01 0.12 -0.02 0.00 -0.44 0.00 0.00 34.13 33.81 2e4j s GLU 122 CO 0.16 -0.13 -0.13 0.00 0.95 0.00 0.00 175.26 176.11 2e4j s ALA 123 N -2.37 1.11 -0.76 -0.84 0.00 -1.26 -0.63 121.76 117.01 2e4j s ALA 123 Ca 0.11 -0.71 -0.21 0.00 0.00 0.00 0.00 51.96 51.15 2e4j s ALA 123 Cb 0.01 -0.21 0.09 0.00 0.00 0.00 0.00 23.12 23.01 2e4j s ALA 123 CO -0.04 0.23 1.01 -0.80 0.00 0.00 0.00 175.76 176.16 2e4j s ASN 124 N -0.80 6.34 -1.13 0.00 0.01 -1.11 -4.17 114.94 114.08 2e4j s ASN 124 Ca 0.03 -1.40 -0.04 0.00 -0.71 0.00 0.00 52.86 50.74 2e4j s ASN 124 Cb -0.07 -2.41 0.00 0.00 0.41 0.00 0.00 41.25 39.19 2e4j s ASN 124 CO 0.01 -1.29 0.96 -1.22 -1.51 0.00 0.00 177.10 174.05 2e4j n TYR 125 N 7.24 -2.22 -1.03 2.20 4.02 -1.26 -4.64 117.16 121.47 2e4j n TYR 125 Ca 0.06 0.86 0.14 0.00 -0.01 0.00 0.00 57.90 58.95 2e4j n TYR 125 Cb 0.47 -4.67 -0.04 0.00 -0.02 0.00 0.00 39.34 35.07 2e4j n TYR 125 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2e4j n ASP 126 N -2.72 -6.11 0.00 7.72 9.92 -1.26 -4.86 116.55 119.25 2e4j n ASP 126 Ca -0.14 0.49 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 2e4j n ASP 126 Cb 0.61 -3.15 0.00 0.00 -0.64 0.00 0.00 41.12 37.93 2e4j n ASP 126 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2e4j n GLU 127 N -3.42 0.00 -1.30 -1.24 1.02 -1.26 -4.74 120.64 109.70 2e4j n GLU 127 Ca -0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 2e4j n GLU 127 Cb 0.47 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.73 2e4j n GLU 127 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2e4j n TYR 128 N 0.00 0.26 -3.84 -0.32 4.01 -1.26 -4.85 117.16 111.16 2e4j n TYR 128 Ca 0.00 0.18 -0.33 0.00 -0.16 0.00 0.00 57.90 57.59 2e4j n TYR 128 Cb 0.00 -1.32 -0.05 0.00 -0.31 0.00 0.00 39.34 37.66 2e4j n TYR 128 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2e4j s ALA 129 N 4.24 3.92 -0.21 -0.72 0.00 -1.16 -2.76 121.76 125.07 2e4j s ALA 129 Ca 1.16 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.43 2e4j s ALA 129 Cb -0.93 -1.95 0.03 0.00 0.00 0.00 0.00 23.12 20.28 2e4j s ALA 129 CO 0.46 0.73 -0.17 -0.51 0.00 0.00 0.00 175.76 176.27 2e4j s LEU 130 N -2.12 2.57 0.21 0.00 1.02 0.20 -1.48 118.68 119.09 2e4j s LEU 130 Ca 0.31 -0.91 0.10 0.00 0.02 0.00 0.00 54.13 53.65 2e4j s LEU 130 Cb -0.13 -1.49 -0.04 0.00 0.02 0.00 0.00 46.19 44.55 2e4j s LEU 130 CO 0.21 -0.07 -0.12 -0.76 0.02 0.00 0.00 176.35 175.63 2e4j s LEU 131 N 1.23 2.85 -0.11 1.79 1.02 0.24 0.86 118.68 126.56 2e4j s LEU 131 Ca 0.00 -0.71 -0.01 0.00 0.02 0.00 0.00 54.13 53.44 2e4j s LEU 131 Cb -0.15 -1.50 -0.03 0.00 0.02 0.00 0.00 46.19 44.53 2e4j s LEU 131 CO -0.10 0.08 -0.08 0.12 0.02 0.00 0.00 176.35 176.39 2e4j s PHE 132 N -1.90 2.92 -0.25 0.29 2.19 0.77 -0.47 117.98 121.53 2e4j s PHE 132 Ca 0.26 -0.23 0.03 0.00 0.33 0.00 0.00 56.93 57.31 2e4j s PHE 132 Cb -0.08 -1.81 0.06 0.00 -1.31 0.00 0.00 43.02 39.88 2e4j s PHE 132 CO 0.15 0.10 -0.11 -1.54 1.83 0.00 0.00 175.22 175.64 2e4j s SER 133 N -0.21 4.26 -1.08 6.13 1.04 0.17 -0.40 113.70 123.61 2e4j s SER 133 Ca 0.02 -1.31 -0.16 0.00 0.48 0.00 0.00 55.95 54.99 2e4j s SER 133 Cb -0.13 -1.50 0.15 0.00 0.10 0.00 0.00 66.02 64.64 2e4j s SER 133 CO 0.03 -0.18 1.30 -0.13 0.98 0.00 0.00 173.24 175.24 2e4j s ARG 134 N 1.15 3.87 0.18 4.02 1.81 -0.22 -1.17 118.95 128.60 2e4j s ARG 134 Ca -0.07 -2.21 -0.25 0.00 -1.72 0.00 0.00 55.73 51.48 2e4j s ARG 134 Cb -0.19 -5.00 -0.08 0.00 -0.45 0.00 0.00 34.95 29.22 2e4j s ARG 134 CO -0.06 -1.78 0.78 0.20 -0.68 0.00 0.00 175.30 173.77 2e4j s GLY 135 N 3.21 2.88 -0.40 -3.53 0.00 0.09 -2.96 107.32 106.60 2e4j s GLY 135 Ca 0.38 0.35 0.02 0.00 0.00 0.00 0.00 44.72 45.47 2e4j s GLY 135 CO -0.04 0.83 1.11 -1.30 0.00 0.00 0.00 173.10 173.70 2e4j n THR 136 N 1.42 0.00 -2.16 0.90 -2.24 -0.89 -0.46 114.28 110.84 2e4j n THR 136 Ca -0.05 -1.04 -0.27 0.00 -2.27 0.00 0.00 64.05 60.43 2e4j n THR 136 Cb 0.49 1.27 0.11 0.00 -2.10 0.00 0.00 70.33 70.10 2e4j n THR 136 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2e4j s LYS 137 N 0.34 1.65 5.64 -0.78 3.01 -1.21 -2.68 119.74 125.72 2e4j s LYS 137 Ca 0.28 -0.40 0.00 0.00 -1.01 0.00 0.00 55.97 54.84 2e4j s LYS 137 Cb 0.23 -2.08 0.00 0.00 -1.01 0.00 0.00 37.83 34.96 2e4j s LYS 137 CO -0.15 -1.64 0.00 0.41 0.51 0.00 0.00 175.35 174.48 2e4j n GLY 138 N -3.19 3.38 0.19 -3.33 0.00 -1.26 -1.43 105.19 99.56 2e4j n GLY 138 Ca 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.13 2e4j n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e4j h PRO 139 N 0.00 0.10 -1.19 1.61 0.13 -1.94 -2.57 132.00 128.14 2e4j h PRO 139 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2e4j h PRO 139 Cb 0.00 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2e4j h PRO 139 CO 0.00 0.46 0.00 0.41 -0.23 0.00 0.00 178.00 178.64 2e4j n GLY 140 N -0.39 -1.02 1.24 1.56 0.00 -0.51 -4.81 105.19 101.27 2e4j n GLY 140 Ca -0.02 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.54 2e4j n GLY 140 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2e4j n GLN 141 N -0.03 3.04 -2.93 1.61 7.27 -1.26 -4.96 117.38 120.12 2e4j n GLN 141 Ca 0.00 -2.06 -0.06 0.00 0.07 0.00 0.00 57.00 54.95 2e4j n GLN 141 Cb 0.00 -1.75 0.01 0.00 2.41 0.00 0.00 30.24 30.91 2e4j n GLN 141 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2e4j n ASP 142 N 0.71 -7.86 -4.65 1.69 8.00 -1.26 -4.98 116.55 108.20 2e4j n ASP 142 Ca 0.19 0.35 -0.37 0.00 0.71 0.00 0.00 54.79 55.66 2e4j n ASP 142 Cb 0.70 -5.29 -0.09 0.00 -0.02 0.00 0.00 41.12 36.42 2e4j n ASP 142 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2e4j s PHE 143 N -2.70 3.32 -0.57 1.24 0.08 0.39 -5.03 117.98 114.71 2e4j s PHE 143 Ca 0.18 0.33 -0.02 0.00 0.12 0.00 0.00 56.93 57.54 2e4j s PHE 143 Cb -0.05 -2.36 0.15 0.00 -0.57 0.00 0.00 43.02 40.18 2e4j s PHE 143 CO 0.77 0.01 0.37 1.03 -0.10 0.00 0.00 175.22 177.30 2e4j s ARG 144 N 1.24 2.38 0.15 0.44 0.52 -1.26 -0.73 118.95 121.69 2e4j s ARG 144 Ca 0.11 -2.38 0.05 0.00 -0.52 0.00 0.00 55.73 52.99 2e4j s ARG 144 Cb -0.14 -3.66 -0.04 0.00 0.52 0.00 0.00 34.95 31.63 2e4j s ARG 144 CO 0.06 -1.14 0.09 -1.64 0.02 0.00 0.00 175.30 172.69 2e4j s MET 145 N 0.18 2.76 0.04 3.54 -1.94 -0.32 -4.72 119.30 118.84 2e4j s MET 145 Ca 0.15 -0.91 0.08 0.00 -1.71 0.00 0.00 55.69 53.31 2e4j s MET 145 Cb -0.21 -2.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.02 2e4j s MET 145 CO -0.03 0.49 -0.23 0.00 -0.01 0.00 0.00 175.02 175.24 2e4j s ALA 146 N -1.69 2.38 -0.10 3.03 0.00 0.33 0.42 121.76 126.14 2e4j s ALA 146 Ca 0.30 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 51.06 2e4j s ALA 146 Cb -0.10 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 2e4j s ALA 146 CO 0.22 0.55 -0.17 -0.08 0.00 0.00 0.00 175.76 176.27 2e4j s THR 147 N -0.83 2.70 -0.03 0.00 -1.32 0.38 0.33 115.64 116.88 2e4j s THR 147 Ca 0.13 -0.81 0.02 0.00 -1.21 0.00 0.00 61.69 59.81 2e4j s THR 147 Cb -0.10 -2.08 0.01 0.00 -1.51 0.00 0.00 72.50 68.82 2e4j s THR 147 CO 0.03 0.55 -0.05 -0.22 -2.21 0.00 0.00 174.62 172.72 2e4j s LEU 148 N 0.05 1.62 -0.06 9.08 2.96 0.52 0.79 118.68 133.65 2e4j s LEU 148 Ca -0.07 -0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 2e4j s LEU 148 Cb -0.15 -0.41 -0.03 0.00 0.50 0.00 0.00 46.19 46.10 2e4j s LEU 148 CO 0.05 0.00 -0.00 -0.31 -1.32 0.00 0.00 176.35 174.77 2e4j s TYR 149 N 0.46 3.12 0.63 5.38 2.02 -0.55 -2.95 117.35 125.46 2e4j s TYR 149 Ca -0.06 0.15 -0.05 0.00 -0.37 0.00 0.00 57.07 56.74 2e4j s TYR 149 Cb -0.10 -1.75 0.13 0.00 -0.40 0.00 0.00 41.96 39.85 2e4j s TYR 149 CO 0.00 0.46 0.86 0.43 -1.57 0.00 0.00 175.55 175.73 2e4j n SER 150 N 1.91 0.70 -0.86 2.29 7.64 0.73 -2.99 113.62 123.03 2e4j n SER 150 Ca -0.17 -1.70 -0.05 0.00 1.01 0.00 0.00 58.87 57.96 2e4j n SER 150 Cb 0.53 -0.60 -0.05 0.00 -1.01 0.00 0.00 64.21 63.08 2e4j n SER 150 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2e4j n ARG 151 N -2.69 0.00 -3.77 1.43 3.00 -1.26 -4.18 116.66 109.19 2e4j n ARG 151 Ca 0.13 -0.74 -0.10 0.00 -0.00 0.00 0.00 57.85 57.14 2e4j n ARG 151 Cb 0.45 0.47 -0.04 0.00 0.00 0.00 0.00 32.46 33.34 2e4j n ARG 151 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2e4j s THR 152 N 0.00 0.04 0.23 5.15 -4.23 -1.26 -5.01 115.64 110.56 2e4j s THR 152 Ca 0.00 -0.86 -0.07 0.00 -1.18 0.00 0.00 61.69 59.58 2e4j s THR 152 Cb 0.00 -1.58 0.21 0.00 1.34 0.00 0.00 72.50 72.47 2e4j s THR 152 CO 0.00 -0.17 1.70 -0.61 -0.54 0.00 0.00 174.62 175.00 2e4j h GLN 153 N 2.27 0.27 0.00 3.99 4.15 -2.03 -3.43 115.11 120.33 2e4j h GLN 153 Ca -0.30 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.11 2e4j h GLN 153 Cb 1.26 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.88 2e4j h GLN 153 CO 0.40 0.18 0.00 -2.37 -1.93 0.00 0.00 178.83 175.11 2e4j n THR 154 N -5.14 0.00 -2.86 2.39 5.66 -1.26 -4.50 114.28 108.56 2e4j n THR 154 Ca 0.12 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.74 2e4j n THR 154 Cb 0.40 -0.50 -0.06 0.00 -1.55 0.00 0.00 70.33 68.62 2e4j n THR 154 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 2e4j s LEU 155 N 0.00 4.47 -0.19 1.09 0.05 -1.26 -4.77 118.68 118.07 2e4j s LEU 155 Ca 0.00 1.76 -0.15 0.00 0.05 0.00 0.00 54.13 55.79 2e4j s LEU 155 Cb 0.00 -3.70 -0.04 0.00 -2.05 0.00 0.00 46.19 40.40 2e4j s LEU 155 CO 0.00 0.06 0.35 -0.54 -0.55 0.00 0.00 176.35 175.67 2e4j s LYS 156 N -1.63 4.20 0.24 1.48 3.01 -1.26 -4.98 119.74 120.80 2e4j s LYS 156 Ca 0.44 0.13 -0.01 0.00 -1.01 0.00 0.00 55.97 55.52 2e4j s LYS 156 Cb -0.21 -3.50 0.28 0.00 -1.01 0.00 0.00 37.83 33.39 2e4j s LYS 156 CO 0.26 0.06 1.66 -0.44 0.51 0.00 0.00 175.35 177.40 2e4j h ASP 157 N 7.15 0.63 -0.58 2.83 3.32 -1.97 -1.44 116.42 126.35 2e4j h ASP 157 Ca -0.38 -0.23 0.11 0.00 0.02 0.00 0.00 57.03 56.55 2e4j h ASP 157 Cb 1.16 -0.17 -0.09 0.00 0.22 0.00 0.00 39.33 40.45 2e4j h ASP 157 CO 0.72 0.88 0.09 -0.33 -1.72 0.00 0.00 179.24 178.88 2e4j h GLU 158 N 0.54 0.20 -0.06 3.56 5.08 -1.99 1.08 114.58 122.99 2e4j h GLU 158 Ca 0.07 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 2e4j h GLU 158 Cb 0.74 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 2e4j h GLU 158 CO 0.06 0.14 -0.81 1.37 -1.00 0.00 0.00 179.01 178.76 2e4j h LEU 159 N 0.21 0.55 -1.22 1.33 8.10 -1.93 -1.39 115.31 120.96 2e4j h LEU 159 Ca 0.30 -0.39 0.03 0.00 0.11 0.00 0.00 57.88 57.93 2e4j h LEU 159 Cb 0.45 -0.17 -0.05 0.00 -0.44 0.00 0.00 40.66 40.46 2e4j h LEU 159 CO -0.42 1.16 0.54 0.50 -4.11 0.00 0.00 178.44 176.11 2e4j h LYS 160 N 0.29 1.00 0.05 0.17 3.11 0.26 0.60 116.57 122.05 2e4j h LYS 160 Ca -0.05 -0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 57.73 2e4j h LYS 160 Cb 1.41 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 32.42 2e4j h LYS 160 CO 0.14 0.66 -0.02 1.49 -2.81 0.00 0.00 179.45 178.91 2e4j h GLU 161 N 1.03 -0.07 -0.08 1.90 4.81 0.12 -2.37 114.58 119.92 2e4j h GLU 161 Ca 0.32 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.42 2e4j h GLU 161 Cb 0.01 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2e4j h GLU 161 CO -0.09 0.55 -0.56 -0.22 -0.73 0.00 0.00 179.01 177.96 2e4j h LYS 162 N -0.80 0.24 0.09 1.92 1.63 -1.07 0.48 116.57 119.05 2e4j h LYS 162 Ca -0.01 -0.15 -0.29 0.00 -0.85 0.00 0.00 60.65 59.36 2e4j h LYS 162 Cb 0.65 0.02 0.02 0.00 -0.60 0.00 0.00 32.23 32.32 2e4j h LYS 162 CO 0.01 0.74 -1.19 0.35 -3.45 0.00 0.00 179.45 175.91 2e4j h PHE 163 N 0.18 0.92 0.06 1.91 3.04 0.08 -2.34 116.94 120.79 2e4j h PHE 163 Ca -0.00 -0.57 -0.09 0.00 3.98 0.00 0.00 57.97 61.29 2e4j h PHE 163 Cb 1.04 -0.08 0.01 0.00 2.56 0.00 0.00 35.95 39.49 2e4j h PHE 163 CO 0.02 1.41 -0.41 1.15 -2.02 0.00 0.00 178.31 178.46 2e4j h THR 164 N 0.26 1.64 -0.60 4.41 2.02 -1.42 -2.46 112.91 116.75 2e4j h THR 164 Ca -0.16 -2.38 -0.00 0.00 0.77 0.00 0.00 66.41 64.63 2e4j h THR 164 Cb 1.86 3.23 -0.03 0.00 -1.74 0.00 0.00 68.15 71.47 2e4j h THR 164 CO 0.22 0.65 0.37 0.74 0.37 0.00 0.00 175.52 177.87 2e4j h THR 165 N -0.64 1.17 -0.51 3.16 2.02 -0.18 0.80 112.91 118.73 2e4j h THR 165 Ca -0.07 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 2e4j h THR 165 Cb 1.30 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 2e4j h THR 165 CO 0.08 0.18 0.26 0.15 0.37 0.00 0.00 175.52 176.56 2e4j h PHE 166 N 0.81 0.71 -0.14 3.16 3.04 -1.53 0.93 116.94 123.93 2e4j h PHE 166 Ca 0.22 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.11 2e4j h PHE 166 Cb -0.03 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.25 2e4j h PHE 166 CO -0.02 0.54 -0.05 1.03 -2.02 0.00 0.00 178.31 177.79 2e4j h SER 167 N 0.68 0.28 0.19 0.41 0.87 -0.91 -2.71 113.55 112.35 2e4j h SER 167 Ca 0.18 -0.39 -0.17 0.00 -1.23 0.00 0.00 61.79 60.18 2e4j h SER 167 Cb 0.08 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2e4j h SER 167 CO -0.03 0.61 -0.63 0.07 -0.53 0.00 0.00 176.83 176.32 2e4j h LYS 168 N -0.05 0.43 -0.26 2.24 5.09 0.72 -3.05 116.57 121.69 2e4j h LYS 168 Ca 0.03 -0.31 -0.01 0.00 0.09 0.00 0.00 60.65 60.45 2e4j h LYS 168 Cb 0.50 0.05 -0.01 0.00 0.10 0.00 0.00 32.23 32.86 2e4j h LYS 168 CO 0.02 0.93 0.09 0.00 -2.09 0.00 0.00 179.45 178.40 2e4j h ALA 169 N 1.00 1.69 0.00 0.07 0.00 0.90 0.32 119.26 123.23 2e4j h ALA 169 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2e4j h ALA 169 Cb 1.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2e4j h ALA 169 CO 0.11 0.25 0.00 0.94 0.00 0.00 0.00 179.25 180.55 2e4j n GLN 170 N -4.42 0.53 0.00 0.00 7.27 -1.02 -4.83 117.38 114.91 2e4j n GLN 170 Ca 0.01 0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.09 2e4j n GLN 170 Cb 0.13 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.28 2e4j n GLN 170 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2e4j n GLY 171 N 1.03 0.68 0.00 1.69 0.00 -0.00 -5.11 105.19 103.48 2e4j n GLY 171 Ca 0.16 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2e4j n GLY 171 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2e4j n LEU 172 N 0.00 0.00 0.00 0.99 7.94 -0.57 -4.94 117.00 120.41 2e4j n LEU 172 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2e4j n LEU 172 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2e4j n LEU 172 CO 0.00 0.00 0.00 1.07 -1.11 0.00 0.00 177.39 177.35 2e4j n THR 173 N 0.00 0.00 0.30 1.96 5.66 -1.26 -4.40 114.28 116.53 2e4j n THR 173 Ca 0.00 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.14 2e4j n THR 173 Cb 0.00 0.00 0.69 0.00 -1.55 0.00 0.00 70.33 69.47 2e4j n THR 173 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 2e4j h GLU 174 N 0.00 0.00 0.00 1.09 -0.00 -1.96 0.11 114.58 113.81 2e4j h GLU 174 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2e4j h GLU 174 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 2e4j h GLU 174 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 179.01 177.10 2e4j n GLU 175 N -2.93 0.28 -2.66 1.06 4.07 -1.26 -3.05 120.64 116.15 2e4j n GLU 175 Ca -0.00 0.07 -0.09 0.00 -0.06 0.00 0.00 57.16 57.08 2e4j n GLU 175 Cb 0.51 -1.50 0.03 0.00 -0.06 0.00 0.00 31.44 30.43 2e4j n GLU 175 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2e4j n ASP 176 N -1.11 1.51 -3.73 4.31 9.92 0.37 -4.12 116.55 123.70 2e4j n ASP 176 Ca 0.07 -2.70 -0.13 0.00 -0.53 0.00 0.00 54.79 51.50 2e4j n ASP 176 Cb 0.06 -0.53 -0.14 0.00 -0.64 0.00 0.00 41.12 39.87 2e4j n ASP 176 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2e4j s ILE 177 N -3.20 -0.08 -0.11 0.53 1.09 -1.17 -2.66 121.20 115.60 2e4j s ILE 177 Ca 0.27 0.19 -0.04 0.00 -1.10 0.00 0.00 60.65 59.97 2e4j s ILE 177 Cb 0.45 -0.30 0.06 0.00 -1.06 0.00 0.00 42.46 41.61 2e4j s ILE 177 CO 0.03 0.08 0.21 0.54 -0.10 0.00 0.00 174.94 175.70 2e4j s VAL 178 N 1.36 -0.33 -0.21 2.92 0.11 0.62 -4.91 120.40 119.97 2e4j s VAL 178 Ca -0.08 0.29 -0.07 0.00 -2.93 0.00 0.00 61.98 59.19 2e4j s VAL 178 Cb -0.11 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 2e4j s VAL 178 CO -0.07 0.11 0.07 -0.36 -3.33 0.00 0.00 175.10 171.52 2e4j s PHE 179 N 2.35 3.18 0.30 1.54 0.40 -1.26 0.10 117.98 124.59 2e4j s PHE 179 Ca 0.03 -0.11 -0.28 0.00 -0.60 0.00 0.00 56.93 55.97 2e4j s PHE 179 Cb -0.12 -2.14 -0.09 0.00 0.51 0.00 0.00 43.02 41.17 2e4j s PHE 179 CO -0.07 -0.05 1.01 -0.51 0.70 0.00 0.00 175.22 176.30 2e4j s LEU 180 N 0.87 4.44 1.00 -0.37 1.43 -1.26 -4.81 118.68 119.99 2e4j s LEU 180 Ca 0.04 2.05 -0.11 0.00 -1.03 0.00 0.00 54.13 55.07 2e4j s LEU 180 Cb -0.14 -3.83 0.19 0.00 0.03 0.00 0.00 46.19 42.45 2e4j s LEU 180 CO 0.02 -0.12 1.10 -2.84 0.23 0.00 0.00 176.35 174.74 2e4j s PRO 181 N -1.73 0.34 0.51 1.29 0.02 -1.26 -3.66 135.00 130.51 2e4j s PRO 181 Ca 0.48 1.23 -0.05 0.00 0.02 0.00 0.00 61.00 62.68 2e4j s PRO 181 Cb -0.25 -1.67 0.08 0.00 0.02 0.00 0.00 34.50 32.67 2e4j s PRO 181 CO 0.32 -2.99 0.18 1.04 -0.33 0.00 0.00 177.00 175.22 2e4j n GLN 182 N -4.45 0.09 -0.56 5.54 6.02 -1.26 -2.86 117.38 119.89 2e4j n GLN 182 Ca 0.08 -0.30 -0.20 0.00 -0.01 0.00 0.00 57.00 56.57 2e4j n GLN 182 Cb 0.53 -0.80 0.14 0.00 1.02 0.00 0.00 30.24 31.13 2e4j n GLN 182 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2e4j n PRO 183 N -0.20 -2.09 -0.58 -1.09 -0.02 -1.26 -2.48 135.00 127.27 2e4j n PRO 183 Ca 0.03 -0.62 0.00 0.00 -2.02 0.00 0.00 63.50 60.89 2e4j n PRO 183 Cb 0.12 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2e4j n PRO 183 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2e4j n ASP 184 N -1.09 0.47 -4.53 2.55 8.00 -1.26 -4.39 116.55 116.31 2e4j n ASP 184 Ca 0.05 -0.47 -0.27 0.00 0.71 0.00 0.00 54.79 54.81 2e4j n ASP 184 Cb 0.39 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.38 2e4j n ASP 184 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2e4j n LYS 185 N -0.36 0.47 -0.25 -1.24 4.76 -1.26 -4.76 118.16 115.51 2e4j n LYS 185 Ca 0.00 -0.26 -0.07 0.00 -2.87 0.00 0.00 58.31 55.10 2e4j n LYS 185 Cb 0.00 -2.62 0.04 0.00 -1.84 0.00 0.00 35.03 30.61 2e4j n LYS 185 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2e4j h ALA 186 N 14.19 0.91 -2.31 7.82 0.00 -2.03 -3.44 119.26 134.40 2e4j h ALA 186 Ca -0.07 -0.23 -0.50 0.00 0.00 0.00 0.00 54.91 54.11 2e4j h ALA 186 Cb 1.17 -0.27 0.03 0.00 0.00 0.00 0.00 17.79 18.73 2e4j h ALA 186 CO 1.26 0.61 0.18 0.42 0.00 0.00 0.00 179.25 181.72 2e4j s ILE 187 N -5.36 4.84 -0.57 0.00 1.01 -1.26 -5.04 121.20 114.83 2e4j s ILE 187 Ca -0.12 0.44 -0.17 0.00 0.00 0.00 0.00 60.65 60.80 2e4j s ILE 187 Cb 0.14 -3.84 0.12 0.00 0.01 0.00 0.00 42.46 38.90 2e4j s ILE 187 CO 0.84 -0.85 0.57 -1.58 0.00 0.00 0.00 174.94 173.92 2e4j s GLN 188 N -4.66 3.03 0.00 2.79 0.74 -1.26 -5.11 119.66 115.19 2e4j s GLN 188 Ca 0.50 -1.61 0.27 0.00 0.05 0.00 0.00 55.36 54.57 2e4j s GLN 188 Cb -0.10 -4.30 1.62 0.00 1.10 0.00 0.00 33.01 31.33 2e4j s GLN 188 CO 0.44 -1.40 1.97 -1.91 -0.55 0.00 0.00 175.29 173.84