#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4j s ASP 35 N 0.00 7.29 0.28 1.61 -0.00 -1.26 -4.97 116.67 119.62 3a4j s ASP 35 Ca 0.00 1.65 0.11 0.00 -0.00 0.00 0.00 52.55 54.32 3a4j s ASP 35 Cb 0.00 -2.51 -0.05 0.00 -0.00 0.00 0.00 42.92 40.36 3a4j s ASP 35 CO 0.00 0.07 -0.15 -1.48 -0.00 0.00 0.00 175.17 173.61 3a4j s LEU 36 N -1.67 2.72 0.03 1.23 2.34 -1.26 -0.86 118.68 121.20 3a4j s LEU 36 Ca 0.43 -0.97 0.07 0.00 0.06 0.00 0.00 54.13 53.72 3a4j s LEU 36 Cb -0.20 -1.21 -0.02 0.00 -0.56 0.00 0.00 46.19 44.20 3a4j s LEU 36 CO 0.24 0.01 -0.21 -0.63 -1.06 0.00 0.00 176.35 174.70 3a4j s ILE 37 N -2.48 1.69 -0.00 1.48 -1.09 -0.12 -4.51 121.20 116.16 3a4j s ILE 37 Ca 0.31 -1.13 -0.28 0.00 -2.23 0.00 0.00 60.65 57.31 3a4j s ILE 37 Cb -0.05 -1.45 -0.03 0.00 -1.58 0.00 0.00 42.46 39.35 3a4j s ILE 37 CO 0.16 0.28 0.91 0.20 -1.23 0.00 0.00 174.94 175.26 3a4j s ASN 38 N -1.00 7.29 0.46 3.58 0.02 -1.26 -0.93 114.94 123.09 3a4j s ASN 38 Ca 0.08 1.56 0.04 0.00 -1.02 0.00 0.00 52.86 53.52 3a4j s ASN 38 Cb -0.09 -2.53 -0.04 0.00 0.02 0.00 0.00 41.25 38.61 3a4j s ASN 38 CO 0.01 -0.21 0.01 0.42 0.02 0.00 0.00 177.10 177.36 3a4j s THR 39 N 0.85 1.46 -0.38 1.60 -4.23 -0.23 -4.37 115.64 110.33 3a4j s THR 39 Ca 0.48 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.20 3a4j s THR 39 Cb -0.20 -2.53 0.21 0.00 1.34 0.00 0.00 72.50 71.32 3a4j s THR 39 CO 0.26 0.00 1.63 0.52 -0.54 0.00 0.00 174.62 176.49 3a4j n VAL 40 N -1.10 1.01 -0.29 2.29 0.31 0.67 -1.35 118.33 119.87 3a4j n VAL 40 Ca -0.12 0.51 0.06 0.00 -0.01 0.00 0.00 64.34 64.78 3a4j n VAL 40 Cb 0.67 -1.47 0.17 0.00 -0.91 0.00 0.00 33.84 32.29 3a4j n VAL 40 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3a4j n ARG 41 N -2.18 2.89 0.00 5.55 1.74 -1.26 -4.71 116.66 118.69 3a4j n ARG 41 Ca 0.00 -2.16 0.00 0.00 -0.77 0.00 0.00 57.85 54.92 3a4j n ARG 41 Cb 0.11 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 3a4j n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a4j n GLY 42 N 0.34 -0.50 3.77 -0.13 0.00 -0.46 -5.04 105.19 103.18 3a4j n GLY 42 Ca 0.13 -2.23 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 3a4j n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a4j s PRO 43 N -0.12 4.05 0.10 1.61 0.04 -1.26 -1.07 135.00 138.35 3a4j s PRO 43 Ca 0.00 1.76 0.05 0.00 0.04 0.00 0.00 61.00 62.85 3a4j s PRO 43 Cb 0.00 -2.62 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 3a4j s PRO 43 CO 0.00 -0.30 -0.13 0.96 0.04 0.00 0.00 177.00 177.57 3a4j s ILE 44 N -1.48 1.16 0.28 0.56 -4.36 -0.11 -4.92 121.20 112.34 3a4j s ILE 44 Ca 0.58 -1.56 -0.30 0.00 -0.26 0.00 0.00 60.65 59.11 3a4j s ILE 44 Cb -0.28 -1.33 -0.10 0.00 1.25 0.00 0.00 42.46 41.99 3a4j s ILE 44 CO 0.36 -0.39 1.46 -2.84 0.24 0.00 0.00 174.94 173.77 3a4j s PRO 45 N -2.38 4.23 0.18 0.37 0.02 -1.26 -0.95 135.00 135.22 3a4j s PRO 45 Ca 0.04 2.38 0.23 0.00 0.02 0.00 0.00 61.00 63.67 3a4j s PRO 45 Cb -0.06 -3.07 0.90 0.00 0.02 0.00 0.00 34.50 32.29 3a4j s PRO 45 CO 0.02 -0.45 1.71 0.28 -0.33 0.00 0.00 177.00 178.24 3a4j n VAL 46 N 1.93 0.71 0.44 3.83 0.31 -0.04 -0.94 118.33 124.57 3a4j n VAL 46 Ca 0.06 0.07 0.07 0.00 -0.01 0.00 0.00 64.34 64.53 3a4j n VAL 46 Cb 0.40 -0.91 0.32 0.00 -0.91 0.00 0.00 33.84 32.74 3a4j n VAL 46 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3a4j n SER 47 N -2.06 0.12 -0.45 4.52 3.41 -1.26 -2.16 113.62 115.74 3a4j n SER 47 Ca 0.04 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 3a4j n SER 47 Cb 0.29 -0.56 0.30 0.00 -0.26 0.00 0.00 64.21 63.98 3a4j n SER 47 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a4j n GLU 48 N -1.63 1.31 -0.05 4.33 1.02 -0.12 -4.13 120.64 121.37 3a4j n GLU 48 Ca 0.03 -0.90 -0.03 0.00 -0.02 0.00 0.00 57.16 56.25 3a4j n GLU 48 Cb 0.17 -1.48 0.22 0.00 -0.02 0.00 0.00 31.44 30.32 3a4j n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a4j h ALA 49 N 4.02 1.20 -0.97 0.62 0.00 -1.47 -3.47 119.26 119.19 3a4j h ALA 49 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3a4j h ALA 49 Cb 0.62 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3a4j h ALA 49 CO 0.00 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.18 3a4j n GLY 50 N -0.68 1.50 3.64 0.00 0.00 -1.26 -3.64 105.19 104.76 3a4j n GLY 50 Ca 0.02 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 3a4j n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3a4j s PHE 51 N 0.00 1.76 -0.09 1.61 5.99 -1.26 -4.48 117.98 121.50 3a4j s PHE 51 Ca 0.00 0.27 0.03 0.00 0.00 0.00 0.00 56.93 57.23 3a4j s PHE 51 Cb 0.00 -4.01 0.01 0.00 0.00 0.00 0.00 43.02 39.02 3a4j s PHE 51 CO 0.00 -3.84 -0.17 0.99 -0.00 0.00 0.00 175.22 172.20 3a4j s THR 52 N 5.35 1.58 -0.35 0.12 2.01 -0.66 -0.56 115.64 123.12 3a4j s THR 52 Ca 0.80 -0.72 -0.19 0.00 0.31 0.00 0.00 61.69 61.90 3a4j s THR 52 Cb -0.31 -1.41 -0.00 0.00 0.01 0.00 0.00 72.50 70.78 3a4j s THR 52 CO 0.33 0.45 0.55 -0.76 -0.69 0.00 0.00 174.62 174.50 3a4j s LEU 53 N 0.70 4.32 0.00 4.42 1.43 -0.51 -4.87 118.68 124.17 3a4j s LEU 53 Ca -0.12 0.02 0.27 0.00 -1.03 0.00 0.00 54.13 53.27 3a4j s LEU 53 Cb -0.16 -2.64 0.80 0.00 0.03 0.00 0.00 46.19 44.22 3a4j s LEU 53 CO 0.03 -0.51 1.60 0.35 0.23 0.00 0.00 176.35 178.05 3a4j n THR 54 N 5.46 0.00 -3.39 5.49 -2.24 -1.25 -0.41 114.28 117.94 3a4j n THR 54 Ca -0.04 -0.23 -0.17 0.00 -2.27 0.00 0.00 64.05 61.33 3a4j n THR 54 Cb 0.49 0.61 -0.09 0.00 -2.10 0.00 0.00 70.33 69.24 3a4j n THR 54 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3a4j s HIS 55 N -2.20 -0.38 0.25 4.78 5.65 -1.26 -4.63 115.29 117.51 3a4j s HIS 55 Ca 0.31 -0.42 0.01 0.00 0.25 0.00 0.00 55.06 55.21 3a4j s HIS 55 Cb 0.20 -0.46 -0.03 0.00 -1.18 0.00 0.00 32.58 31.11 3a4j s HIS 55 CO 0.41 -0.94 0.22 -1.21 -0.65 0.00 0.00 174.74 172.57 3a4j s GLU 56 N 2.03 1.44 -0.06 2.88 0.41 -0.43 -1.26 118.70 123.71 3a4j s GLU 56 Ca 0.12 -1.75 -0.05 0.00 -0.41 0.00 0.00 54.97 52.88 3a4j s GLU 56 Cb -0.15 0.31 0.02 0.00 -1.78 0.00 0.00 34.13 32.53 3a4j s GLU 56 CO -0.23 -0.51 0.15 -1.01 -0.49 0.00 0.00 175.26 173.17 3a4j s HIS 57 N -3.85 -0.17 0.04 1.61 3.76 -0.31 -1.24 115.29 115.13 3a4j s HIS 57 Ca 0.38 0.41 -0.21 0.00 -0.15 0.00 0.00 55.06 55.49 3a4j s HIS 57 Cb 0.05 0.05 -0.14 0.00 1.11 0.00 0.00 32.58 33.65 3a4j s HIS 57 CO 0.18 -0.08 1.40 0.82 -0.85 0.00 0.00 174.74 176.20 3a4j h ILE 58 N 4.94 1.31 -2.93 0.60 1.08 -1.95 -3.33 117.51 117.24 3a4j h ILE 58 Ca -0.26 -1.09 -0.18 0.00 -0.39 0.00 0.00 64.86 62.94 3a4j h ILE 58 Cb 1.20 1.74 -0.29 0.00 -3.07 0.00 0.00 36.82 36.39 3a4j h ILE 58 CO 0.41 0.32 -0.45 0.00 -0.69 0.00 0.00 178.15 177.74 3a4j s GLY 60 N 1.39 1.86 0.00 0.00 0.00 0.01 -4.76 107.32 105.81 3a4j s GLY 60 Ca -0.09 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.84 3a4j s GLY 60 CO -0.09 1.33 0.00 -1.26 0.00 0.00 0.00 173.10 173.08 3a4j n SER 61 N 5.86 0.09 -4.02 1.64 2.88 0.30 -0.56 113.62 119.80 3a4j n SER 61 Ca -0.08 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.38 3a4j n SER 61 Cb 0.45 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.81 3a4j n SER 61 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3a4j s SER 62 N 1.05 0.36 0.15 -3.46 0.01 -1.20 -3.80 113.70 106.81 3a4j s SER 62 Ca 0.00 -0.81 -0.34 0.00 1.31 0.00 0.00 55.95 56.11 3a4j s SER 62 Cb 0.00 0.20 -0.15 0.00 0.21 0.00 0.00 66.02 66.28 3a4j s SER 62 CO 0.00 -0.55 1.48 0.00 0.41 0.00 0.00 173.24 174.58 3a4j n ALA 63 N 0.45 0.65 0.00 1.44 0.00 -1.23 -1.41 120.51 120.41 3a4j n ALA 63 Ca -0.17 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3a4j n ALA 63 Cb 0.60 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3a4j n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a4j n GLY 64 N 2.97 2.87 0.16 0.00 0.00 -1.26 -4.89 105.19 105.04 3a4j n GLY 64 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 3a4j n GLY 64 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3a4j h PHE 65 N 0.00 0.67 -0.79 1.61 3.57 -1.59 -1.63 116.94 118.78 3a4j h PHE 65 Ca 0.00 -0.31 0.16 0.00 3.53 0.00 0.00 57.97 61.35 3a4j h PHE 65 Cb 0.00 -0.10 -0.10 0.00 2.79 0.00 0.00 35.95 38.54 3a4j h PHE 65 CO 0.00 1.09 0.31 -0.07 -2.23 0.00 0.00 178.31 177.41 3a4j h LEU 66 N 0.07 0.28 -0.34 0.59 3.38 -1.87 0.12 115.31 117.53 3a4j h LEU 66 Ca -0.04 0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 3a4j h LEU 66 Cb 1.16 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3a4j h LEU 66 CO 0.10 0.08 -0.70 -0.09 0.09 0.00 0.00 178.44 177.92 3a4j h ARG 67 N 0.43 0.60 0.00 1.13 2.43 -1.91 -3.03 114.38 114.03 3a4j h ARG 67 Ca 0.45 -0.45 -0.23 0.00 -0.81 0.00 0.00 59.98 58.93 3a4j h ARG 67 Cb 0.72 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 3a4j h ARG 67 CO -0.44 1.08 -1.24 0.00 -1.51 0.00 0.00 179.97 177.86 3a4j h ALA 68 N 0.80 0.52 -1.58 2.80 0.00 -0.78 -3.41 119.26 117.62 3a4j h ALA 68 Ca -0.03 -1.08 -0.43 0.00 0.00 0.00 0.00 54.91 53.37 3a4j h ALA 68 Cb 1.29 0.08 -0.35 0.00 0.00 0.00 0.00 17.79 18.81 3a4j h ALA 68 CO 0.13 1.33 -1.05 1.87 0.00 0.00 0.00 179.25 181.53 3a4j n TRP 69 N -3.23 -0.38 0.27 0.00 -0.00 0.36 -4.95 117.44 109.51 3a4j n TRP 69 Ca -0.06 -3.45 0.14 0.00 -0.00 0.00 0.00 57.50 54.12 3a4j n TRP 69 Cb 0.97 -0.02 0.74 0.00 -0.00 0.00 0.00 31.31 33.00 3a4j n TRP 69 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 3a4j h PRO 70 N 2.99 0.00 -1.00 5.87 0.13 -1.70 -1.51 132.00 136.78 3a4j h PRO 70 Ca 0.05 0.00 0.40 0.00 -0.87 0.00 0.00 66.00 65.58 3a4j h PRO 70 Cb 1.00 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.95 3a4j h PRO 70 CO 0.43 0.10 0.48 0.93 -0.23 0.00 0.00 178.00 179.71 3a4j h GLU 71 N 0.00 0.01 -0.79 0.86 3.07 -1.90 -0.89 114.58 114.93 3a4j h GLU 71 Ca -0.00 -0.00 0.15 0.00 -0.50 0.00 0.00 59.36 59.01 3a4j h GLU 71 Cb 0.36 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.22 3a4j h GLU 71 CO 0.01 0.01 0.53 0.35 -1.40 0.00 0.00 179.01 178.51 3a4j h PHE 72 N 0.01 0.55 -0.52 4.33 3.57 -1.68 -0.49 116.94 122.71 3a4j h PHE 72 Ca 0.82 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 62.29 3a4j h PHE 72 Cb 2.11 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 40.66 3a4j h PHE 72 CO -0.07 0.20 0.05 1.19 -2.23 0.00 0.00 178.31 177.45 3a4j n PHE 73 N -4.49 1.85 0.00 0.41 3.72 -0.34 -4.94 117.46 113.67 3a4j n PHE 73 Ca 0.15 -0.70 0.00 0.00 -0.05 0.00 0.00 57.45 56.85 3a4j n PHE 73 Cb 0.54 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 3a4j n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a4j n GLY 74 N 0.41 2.08 3.71 1.37 0.00 -0.19 -4.30 105.19 108.26 3a4j n GLY 74 Ca 0.26 -0.16 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 3a4j n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a4j s SER 75 N 0.00 -0.28 0.21 1.61 1.04 -1.23 -4.31 113.70 110.74 3a4j s SER 75 Ca 0.00 -0.36 -0.10 0.00 0.48 0.00 0.00 55.95 55.97 3a4j s SER 75 Cb 0.00 0.56 0.29 0.00 0.10 0.00 0.00 66.02 66.97 3a4j s SER 75 CO 0.00 -1.01 1.71 -0.09 0.98 0.00 0.00 173.24 174.84 3a4j h ARG 76 N 2.00 0.27 -0.48 4.02 2.43 -1.88 -1.84 114.38 118.90 3a4j h ARG 76 Ca -0.23 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 58.86 3a4j h ARG 76 Cb 1.25 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 3a4j h ARG 76 CO 0.27 0.18 0.05 -0.22 -1.51 0.00 0.00 179.97 178.74 3a4j h LYS 77 N 0.28 0.81 -0.62 0.20 3.64 -1.95 -0.56 116.57 118.37 3a4j h LYS 77 Ca 0.31 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3a4j h LYS 77 Cb 0.45 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 3a4j h LYS 77 CO -0.39 0.83 0.33 0.00 -2.27 0.00 0.00 179.45 177.96 3a4j h ALA 78 N 0.95 0.79 -0.31 5.00 0.00 -1.78 -0.63 119.26 123.27 3a4j h ALA 78 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3a4j h ALA 78 Cb 0.44 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3a4j h ALA 78 CO 0.01 0.32 0.15 1.25 0.00 0.00 0.00 179.25 180.99 3a4j h LEU 79 N 0.84 0.41 -0.84 0.00 5.85 -1.08 -0.95 115.31 119.54 3a4j h LEU 79 Ca 0.22 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3a4j h LEU 79 Cb 0.06 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3a4j h LEU 79 CO -0.03 0.41 0.46 0.00 -0.34 0.00 0.00 178.44 178.94 3a4j h ALA 80 N 1.01 1.08 -0.51 1.25 0.00 -0.91 -0.69 119.26 120.48 3a4j h ALA 80 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3a4j h ALA 80 Cb 0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3a4j h ALA 80 CO -0.01 0.59 0.25 1.49 0.00 0.00 0.00 179.25 181.56 3a4j h GLU 81 N 1.17 0.73 -0.35 0.00 4.81 -0.80 0.59 114.58 120.74 3a4j h GLU 81 Ca 0.30 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3a4j h GLU 81 Cb 0.03 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3a4j h GLU 81 CO -0.05 0.60 0.17 -0.22 -0.73 0.00 0.00 179.01 178.78 3a4j h LYS 82 N 0.68 0.50 -0.79 1.92 3.64 -0.84 -0.59 116.57 121.09 3a4j h LYS 82 Ca 0.18 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3a4j h LYS 82 Cb 0.11 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3a4j h LYS 82 CO -0.02 0.45 0.38 0.00 -2.27 0.00 0.00 179.45 177.99 3a4j h ALA 83 N 1.02 1.02 -0.47 5.00 0.00 -0.74 -1.02 119.26 124.07 3a4j h ALA 83 Ca 0.12 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3a4j h ALA 83 Cb 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3a4j h ALA 83 CO -0.01 0.58 0.10 0.28 0.00 0.00 0.00 179.25 180.20 3a4j h VAL 84 N 1.12 1.24 -0.65 0.00 2.07 -0.60 0.12 116.25 119.55 3a4j h VAL 84 Ca 0.27 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.98 3a4j h VAL 84 Cb 0.11 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 3a4j h VAL 84 CO -0.03 0.30 0.39 0.03 0.02 0.00 0.00 177.57 178.27 3a4j h ARG 85 N 0.63 0.72 -0.18 1.57 3.08 -0.88 -0.30 114.38 119.02 3a4j h ARG 85 Ca 0.14 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 59.97 3a4j h ARG 85 Cb 0.34 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3a4j h ARG 85 CO 0.00 0.48 -0.62 0.78 -1.07 0.00 0.00 179.97 179.55 3a4j h GLY 86 N 0.74 0.68 1.48 0.04 0.00 -0.76 -1.38 103.07 103.87 3a4j h GLY 86 Ca 0.27 -0.84 -0.14 0.00 0.00 0.00 0.00 47.33 46.62 3a4j h GLY 86 CO -0.13 0.75 -0.43 1.41 0.00 0.00 0.00 176.54 178.14 3a4j h LEU 87 N 0.46 0.61 -0.86 3.11 3.38 -0.55 -1.33 115.31 120.13 3a4j h LEU 87 Ca -0.01 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 3a4j h LEU 87 Cb 1.19 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3a4j h LEU 87 CO 0.12 0.96 -0.55 0.03 0.09 0.00 0.00 178.44 179.09 3a4j h ARG 88 N 0.46 0.05 -0.34 1.13 3.08 -0.85 0.15 114.38 118.07 3a4j h ARG 88 Ca 0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3a4j h ARG 88 Cb 0.95 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 3a4j h ARG 88 CO 0.08 0.59 0.17 1.25 -1.07 0.00 0.00 179.97 181.00 3a4j h HIS 89 N 0.04 0.48 -0.55 3.04 2.76 -0.95 0.15 115.15 120.13 3a4j h HIS 89 Ca -0.00 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.18 3a4j h HIS 89 Cb 0.99 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.76 3a4j h HIS 89 CO 0.00 0.41 0.32 0.00 -1.30 0.00 0.00 177.93 177.36 3a4j h ALA 90 N 1.03 0.71 -0.77 5.26 0.00 -0.93 -2.24 119.26 122.33 3a4j h ALA 90 Ca 0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3a4j h ALA 90 Cb 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3a4j h ALA 90 CO -0.02 0.01 0.32 -0.09 0.00 0.00 0.00 179.25 179.48 3a4j h ARG 91 N 0.62 1.14 -0.76 0.00 9.65 -0.24 -0.54 114.38 124.26 3a4j h ARG 91 Ca 0.23 -0.20 0.06 0.00 -1.10 0.00 0.00 59.98 58.97 3a4j h ARG 91 Cb 0.06 -0.19 -0.05 0.00 -1.39 0.00 0.00 29.97 28.41 3a4j h ARG 91 CO -0.12 0.92 0.50 0.00 2.80 0.00 0.00 179.97 184.07 3a4j h ALA 92 N 1.17 1.63 0.00 2.80 0.00 -0.35 -0.55 119.26 123.95 3a4j h ALA 92 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3a4j h ALA 92 Cb 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3a4j h ALA 92 CO -0.02 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.49 3a4j n ALA 93 N -2.43 2.45 0.00 0.00 0.00 -0.76 -4.90 120.51 114.86 3a4j n ALA 93 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3a4j n ALA 93 Cb 0.19 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3a4j n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a4j n GLY 94 N 0.92 0.74 3.72 0.00 0.00 -0.21 -4.81 105.19 105.55 3a4j n GLY 94 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3a4j n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a4j s VAL 95 N -2.00 3.81 -0.07 1.61 1.01 -0.28 -4.49 120.40 119.98 3a4j s VAL 95 Ca 0.00 1.37 0.11 0.00 0.00 0.00 0.00 61.98 63.46 3a4j s VAL 95 Cb 0.00 -3.88 -0.16 0.00 0.00 0.00 0.00 36.38 32.35 3a4j s VAL 95 CO 0.00 0.15 0.13 0.00 0.00 0.00 0.00 175.10 175.38 3a4j n GLN 96 N 3.42 1.41 -3.90 2.72 6.02 0.27 -3.90 117.38 123.43 3a4j n GLN 96 Ca 0.07 -0.05 -0.11 0.00 -0.01 0.00 0.00 57.00 56.90 3a4j n GLN 96 Cb 0.45 -1.29 -0.13 0.00 1.02 0.00 0.00 30.24 30.30 3a4j n GLN 96 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3a4j s THR 97 N -2.51 0.03 0.13 5.09 2.01 -0.96 -1.47 115.64 117.96 3a4j s THR 97 Ca -0.05 -0.23 0.09 0.00 0.31 0.00 0.00 61.69 61.82 3a4j s THR 97 Cb 0.05 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.44 3a4j s THR 97 CO 0.47 -0.12 -0.22 0.27 -0.69 0.00 0.00 174.62 174.33 3a4j s ILE 98 N -0.36 1.95 -0.38 1.82 -4.36 -0.11 -1.43 121.20 118.33 3a4j s ILE 98 Ca -0.04 -1.73 -0.14 0.00 -0.26 0.00 0.00 60.65 58.49 3a4j s ILE 98 Cb -0.03 -1.79 0.01 0.00 1.25 0.00 0.00 42.46 41.90 3a4j s ILE 98 CO -0.00 -0.07 0.27 -0.69 0.24 0.00 0.00 174.94 174.68 3a4j s VAL 99 N -1.36 5.17 -0.55 8.37 1.01 0.45 -1.15 120.40 132.34 3a4j s VAL 99 Ca 0.12 -0.52 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 3a4j s VAL 99 Cb -0.09 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.54 3a4j s VAL 99 CO 0.06 -0.19 0.92 -0.62 0.00 0.00 0.00 175.10 175.27 3a4j s ASP 100 N 1.68 6.33 -0.11 3.32 -1.08 0.26 -1.32 116.67 125.76 3a4j s ASP 100 Ca 0.05 -0.39 0.04 0.00 -0.52 0.00 0.00 52.55 51.73 3a4j s ASP 100 Cb -0.18 -2.43 0.27 0.00 -1.46 0.00 0.00 42.92 39.12 3a4j s ASP 100 CO 0.10 -1.21 1.06 1.33 0.52 0.00 0.00 175.17 176.96 3a4j n VAL 101 N 6.16 1.22 -2.25 1.11 0.24 -0.37 -3.16 118.33 121.28 3a4j n VAL 101 Ca 0.01 -0.55 -0.42 0.00 -2.04 0.00 0.00 64.34 61.34 3a4j n VAL 101 Cb 0.47 -0.55 -0.03 0.00 -1.47 0.00 0.00 33.84 32.27 3a4j n VAL 101 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3a4j s SER 102 N -0.12 6.86 0.85 -1.34 0.01 -1.26 -4.93 113.70 113.77 3a4j s SER 102 Ca 0.19 2.03 -0.08 0.00 1.31 0.00 0.00 55.95 59.40 3a4j s SER 102 Cb 0.15 -2.55 0.18 0.00 0.21 0.00 0.00 66.02 64.01 3a4j s SER 102 CO 0.05 -0.74 1.17 0.42 0.41 0.00 0.00 173.24 174.55 3a4j s THR 103 N 2.79 2.02 0.23 1.44 -4.23 -1.26 -4.28 115.64 112.35 3a4j s THR 103 Ca 0.63 -0.34 -0.17 0.00 -1.18 0.00 0.00 61.69 60.63 3a4j s THR 103 Cb -0.29 -2.68 0.25 0.00 1.34 0.00 0.00 72.50 71.12 3a4j s THR 103 CO 0.24 0.00 1.56 0.15 -0.54 0.00 0.00 174.62 176.03 3a4j h PHE 104 N -1.10 -1.00 -0.00 3.99 3.57 -1.85 -1.03 116.94 119.51 3a4j h PHE 104 Ca -0.39 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.21 3a4j h PHE 104 Cb 1.24 0.58 0.00 0.00 2.79 0.00 0.00 35.95 40.56 3a4j h PHE 104 CO -0.77 -0.40 -0.07 -0.40 -2.23 0.00 0.00 178.31 174.43 3a4j n ASP 105 N -5.49 0.34 -0.50 0.41 5.75 -1.26 -1.08 116.55 114.72 3a4j n ASP 105 Ca 0.10 -0.52 0.09 0.00 -0.01 0.00 0.00 54.79 54.44 3a4j n ASP 105 Cb 0.41 -0.12 0.32 0.00 -1.03 0.00 0.00 41.12 40.70 3a4j n ASP 105 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3a4j n ILE 106 N -1.02 0.24 -1.14 2.12 5.41 -0.43 -3.98 119.36 120.57 3a4j n ILE 106 Ca 0.15 -0.33 -0.04 0.00 1.00 0.00 0.00 62.75 63.54 3a4j n ILE 106 Cb 0.26 0.25 -0.02 0.00 -0.71 0.00 0.00 39.64 39.42 3a4j n ILE 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3a4j n GLY 107 N 1.05 0.66 3.52 7.39 0.00 -0.24 -0.54 105.19 117.03 3a4j n GLY 107 Ca 0.14 -0.90 -0.58 0.00 0.00 0.00 0.00 46.02 44.68 3a4j n GLY 107 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3a4j n ARG 108 N -2.84 0.19 -3.89 1.61 0.63 -0.98 -4.71 116.66 106.67 3a4j n ARG 108 Ca -0.04 0.07 -0.30 0.00 -0.92 0.00 0.00 57.85 56.66 3a4j n ARG 108 Cb 0.14 -1.59 -0.14 0.00 0.45 0.00 0.00 32.46 31.31 3a4j n ARG 108 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3a4j s ASP 109 N 0.16 4.26 0.45 6.15 -1.08 -1.26 -4.89 116.67 120.46 3a4j s ASP 109 Ca 0.90 -2.51 0.16 0.00 -0.52 0.00 0.00 52.55 50.59 3a4j s ASP 109 Cb -1.22 -1.40 1.05 0.00 -1.46 0.00 0.00 42.92 39.89 3a4j s ASP 109 CO 0.56 -0.31 1.99 -0.37 0.52 0.00 0.00 175.17 177.57 3a4j h VAL 110 N 5.88 1.06 -0.77 1.11 -1.51 -1.97 -1.29 116.25 118.76 3a4j h VAL 110 Ca -0.06 -0.65 -0.05 0.00 -1.23 0.00 0.00 66.70 64.71 3a4j h VAL 110 Cb 0.95 1.36 -0.03 0.00 -2.13 0.00 0.00 31.29 31.44 3a4j h VAL 110 CO 0.57 0.18 0.29 0.03 -1.23 0.00 0.00 177.57 177.41 3a4j h ARG 111 N 0.00 1.16 -0.50 5.19 3.08 -1.98 0.77 114.38 122.10 3a4j h ARG 111 Ca -0.00 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.84 3a4j h ARG 111 Cb 0.34 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3a4j h ARG 111 CO 0.02 0.96 0.32 1.25 -1.07 0.00 0.00 179.97 181.45 3a4j h LEU 112 N 1.13 0.53 -0.47 3.04 5.85 -1.70 -1.40 115.31 122.30 3a4j h LEU 112 Ca 0.26 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.99 3a4j h LEU 112 Cb 0.24 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3a4j h LEU 112 CO -0.02 0.38 0.28 -0.07 -0.34 0.00 0.00 178.44 178.68 3a4j h LEU 113 N 0.64 0.46 -0.65 2.25 4.07 -0.96 -0.50 115.31 120.62 3a4j h LEU 113 Ca 0.19 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.11 3a4j h LEU 113 Cb -0.03 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 41.58 3a4j h LEU 113 CO -0.06 0.33 0.25 0.00 -1.08 0.00 0.00 178.44 177.87 3a4j h ALA 114 N 1.21 0.84 -0.10 1.53 0.00 -0.63 -0.03 119.26 122.08 3a4j h ALA 114 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a4j h ALA 114 Cb 0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3a4j h ALA 114 CO -0.08 0.47 0.06 1.49 0.00 0.00 0.00 179.25 181.20 3a4j h GLU 115 N 0.92 0.13 -0.51 0.00 4.81 -0.78 -1.69 114.58 117.45 3a4j h GLU 115 Ca 0.21 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.33 3a4j h GLU 115 Cb 0.23 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3a4j h GLU 115 CO -0.02 0.11 -0.09 0.28 -0.73 0.00 0.00 179.01 178.56 3a4j h VAL 116 N 0.12 1.27 -0.52 0.32 2.07 -0.90 -1.88 116.25 116.73 3a4j h VAL 116 Ca 0.04 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 3a4j h VAL 116 Cb 0.01 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3a4j h VAL 116 CO -0.01 0.43 0.29 -1.28 0.02 0.00 0.00 177.57 177.02 3a4j h SER 117 N 0.84 0.65 1.30 0.57 0.87 -0.89 -0.97 113.55 115.92 3a4j h SER 117 Ca 0.13 -0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.49 3a4j h SER 117 Cb 0.65 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 3a4j h SER 117 CO 0.04 0.55 -0.52 -0.09 -0.53 0.00 0.00 176.83 176.29 3a4j h ARG 118 N 0.70 0.00 -0.02 2.24 2.43 -1.14 -0.01 114.38 118.57 3a4j h ARG 118 Ca 0.18 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.13 3a4j h ARG 118 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3a4j h ARG 118 CO -0.03 0.52 -0.89 0.00 -1.51 0.00 0.00 179.97 178.06 3a4j h ALA 119 N 1.48 0.40 0.00 2.80 0.00 -1.14 -3.31 119.26 119.49 3a4j h ALA 119 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3a4j h ALA 119 Cb 1.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3a4j h ALA 119 CO 0.07 0.80 -0.90 0.00 0.00 0.00 0.00 179.25 179.22 3a4j n ALA 120 N -2.54 3.68 -3.59 0.00 0.00 -0.39 -4.98 120.51 112.70 3a4j n ALA 120 Ca -0.06 -0.43 -0.19 0.00 0.00 0.00 0.00 53.44 52.76 3a4j n ALA 120 Cb 0.81 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 19.34 3a4j n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3a4j n ASP 121 N -1.77 -1.53 -4.04 0.00 2.03 -0.03 -4.64 116.55 106.56 3a4j n ASP 121 Ca 0.03 -0.74 -0.26 0.00 0.52 0.00 0.00 54.79 54.34 3a4j n ASP 121 Cb 0.39 -4.51 -0.17 0.00 -0.72 0.00 0.00 41.12 36.12 3a4j n ASP 121 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3a4j s VAL 122 N -3.54 1.27 0.36 5.18 1.01 -1.11 -5.02 120.40 118.55 3a4j s VAL 122 Ca 0.00 -0.54 -0.28 0.00 0.00 0.00 0.00 61.98 61.16 3a4j s VAL 122 Cb -0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 36.38 35.11 3a4j s VAL 122 CO 0.78 0.39 1.36 -1.00 0.00 0.00 0.00 175.10 176.63 3a4j s HIS 123 N 0.77 2.88 -0.09 5.22 3.76 -0.54 -4.54 115.29 122.74 3a4j s HIS 123 Ca -0.12 1.34 0.01 0.00 -0.15 0.00 0.00 55.06 56.14 3a4j s HIS 123 Cb -0.16 -3.78 0.02 0.00 1.11 0.00 0.00 32.58 29.77 3a4j s HIS 123 CO 0.02 -2.23 -0.09 0.42 -0.85 0.00 0.00 174.74 172.01 3a4j s ILE 124 N -1.15 1.06 -0.14 0.60 1.01 -1.26 -0.94 121.20 120.38 3a4j s ILE 124 Ca 0.51 -0.36 -0.19 0.00 0.00 0.00 0.00 60.65 60.61 3a4j s ILE 124 Cb -0.42 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 3a4j s ILE 124 CO 0.55 0.36 0.53 -0.69 0.00 0.00 0.00 174.94 175.70 3a4j s VAL 125 N 1.28 5.13 0.44 2.92 1.01 -0.30 -0.24 120.40 130.64 3a4j s VAL 125 Ca -0.03 1.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.99 3a4j s VAL 125 Cb -0.14 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3a4j s VAL 125 CO -0.03 0.25 0.67 0.00 0.00 0.00 0.00 175.10 175.98 3a4j s ALA 126 N 1.09 3.72 0.17 5.51 0.00 -1.26 -0.57 121.76 130.42 3a4j s ALA 126 Ca 0.27 -1.00 0.11 0.00 0.00 0.00 0.00 51.96 51.34 3a4j s ALA 126 Cb -0.16 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 3a4j s ALA 126 CO 0.11 -0.34 -0.23 0.00 0.00 0.00 0.00 175.76 175.29 3a4j s ALA 127 N -2.55 2.54 0.00 0.00 0.00 -1.19 -0.50 121.76 120.07 3a4j s ALA 127 Ca 0.47 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.86 3a4j s ALA 127 Cb -0.10 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.63 3a4j s ALA 127 CO 0.38 0.47 0.00 -2.37 0.00 0.00 0.00 175.76 174.24 3a4j n THR 128 N 0.42 0.00 0.00 0.00 5.66 -0.23 -4.69 114.28 115.44 3a4j n THR 128 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 3a4j n THR 128 Cb 0.55 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.86 3a4j n THR 128 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3a4j n GLY 129 N 5.00 -1.62 2.93 1.09 0.00 -1.26 -4.41 105.19 106.91 3a4j n GLY 129 Ca 0.00 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 3a4j n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a4j s LEU 130 N 0.00 1.69 0.00 0.99 1.43 -1.26 -4.23 118.68 117.30 3a4j s LEU 130 Ca 0.00 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 3a4j s LEU 130 Cb 0.00 0.21 0.00 0.00 0.03 0.00 0.00 46.19 46.43 3a4j s LEU 130 CO 0.00 -0.03 0.00 1.87 0.23 0.00 0.00 176.35 178.42 3a4j n TRP 131 N 3.14 0.00 -1.25 0.29 -0.00 -1.26 -3.45 117.44 114.91 3a4j n TRP 131 Ca -0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.24 3a4j n TRP 131 Cb 0.59 0.00 0.22 0.00 -0.00 0.00 0.00 31.31 32.11 3a4j n TRP 131 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 177.69 179.66 3a4j n PHE 132 N 0.00 2.23 -2.42 5.87 -1.74 -1.26 -4.22 117.46 115.92 3a4j n PHE 132 Ca 0.00 -1.59 -0.18 0.00 -0.56 0.00 0.00 57.45 55.12 3a4j n PHE 132 Cb 0.00 -0.72 0.02 0.00 1.52 0.00 0.00 39.48 40.30 3a4j n PHE 132 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 3a4j n ASP 133 N -0.91 3.64 -4.72 5.98 2.03 -1.26 -5.09 116.55 116.22 3a4j n ASP 133 Ca 0.46 -3.23 -0.42 0.00 0.52 0.00 0.00 54.79 52.12 3a4j n ASP 133 Cb 1.38 -0.43 -0.03 0.00 -0.72 0.00 0.00 41.12 41.32 3a4j n ASP 133 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3a4j s PRO 134 N -3.55 4.22 0.96 -0.67 0.04 -1.26 -4.83 135.00 129.92 3a4j s PRO 134 Ca 0.42 2.33 -0.11 0.00 0.04 0.00 0.00 61.00 63.68 3a4j s PRO 134 Cb 0.40 -3.16 0.17 0.00 0.04 0.00 0.00 34.50 31.94 3a4j s PRO 134 CO -0.04 -0.59 1.10 -2.14 0.04 0.00 0.00 177.00 175.36 3a4j s PRO 135 N 1.14 0.66 0.38 0.56 0.02 -1.26 -4.71 135.00 131.79 3a4j s PRO 135 Ca 0.70 1.16 0.16 0.00 0.02 0.00 0.00 61.00 63.04 3a4j s PRO 135 Cb -0.43 -1.71 1.04 0.00 0.02 0.00 0.00 34.50 33.42 3a4j s PRO 135 CO 0.31 -2.75 1.76 -0.07 -0.33 0.00 0.00 177.00 175.92 3a4j h LEU 136 N -1.94 0.51 -1.97 -5.54 3.38 -1.98 0.78 115.31 108.55 3a4j h LEU 136 Ca -0.50 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 3a4j h LEU 136 Cb 1.29 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 3a4j h LEU 136 CO 0.48 0.10 -0.01 0.28 0.09 0.00 0.00 178.44 179.38 3a4j h SER 137 N 0.45 0.00 0.11 -0.43 0.02 -2.00 -1.19 113.55 110.51 3a4j h SER 137 Ca 0.61 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 61.21 3a4j h SER 137 Cb 1.43 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.95 3a4j h SER 137 CO -0.34 0.01 -1.85 0.24 -1.14 0.00 0.00 176.83 173.74 3a4j h MET 138 N 0.00 0.23 0.00 3.45 2.86 -1.22 -3.40 114.93 116.85 3a4j h MET 138 Ca -0.00 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.23 3a4j h MET 138 Cb 0.34 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 3a4j h MET 138 CO 0.00 1.19 -0.08 0.00 1.06 0.00 0.00 176.91 179.08 3a4j h ARG 139 N -0.11 0.00 0.00 1.72 3.08 -0.82 -1.17 114.38 117.08 3a4j h ARG 139 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3a4j h ARG 139 Cb 1.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.97 3a4j h ARG 139 CO 0.04 0.08 0.00 -1.33 -1.07 0.00 0.00 179.97 177.69 3a4j n MET 140 N -4.43 0.29 -2.87 0.04 2.81 -0.50 -4.90 117.12 107.56 3a4j n MET 140 Ca -0.03 0.07 -0.31 0.00 -1.81 0.00 0.00 57.70 55.63 3a4j n MET 140 Cb 0.16 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.13 3a4j n MET 140 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3a4j s ARG 141 N -2.62 3.82 0.79 0.03 1.81 -0.44 -5.08 118.95 117.25 3a4j s ARG 141 Ca 0.20 0.52 -0.10 0.00 -1.72 0.00 0.00 55.73 54.63 3a4j s ARG 141 Cb 0.15 -2.38 0.08 0.00 -0.45 0.00 0.00 34.95 32.35 3a4j s ARG 141 CO 0.36 -0.02 1.13 -1.54 -0.68 0.00 0.00 175.30 174.55 3a4j s SER 142 N -3.02 4.51 0.31 0.23 1.04 -1.26 -4.86 113.70 110.64 3a4j s SER 142 Ca 0.52 0.63 -0.01 0.00 0.48 0.00 0.00 55.95 57.57 3a4j s SER 142 Cb -0.10 -1.14 0.50 0.00 0.10 0.00 0.00 66.02 65.38 3a4j s SER 142 CO 0.29 -1.86 1.98 1.62 0.98 0.00 0.00 173.24 176.25 3a4j h VAL 143 N -0.95 1.20 -0.48 5.02 3.04 -1.98 -0.13 116.25 121.98 3a4j h VAL 143 Ca -0.45 -0.37 -0.09 0.00 -1.01 0.00 0.00 66.70 64.78 3a4j h VAL 143 Cb 1.32 0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 30.67 3a4j h VAL 143 CO 0.62 0.19 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.98 3a4j h GLU 144 N 1.03 0.88 -0.11 4.17 3.07 -1.95 -0.49 114.58 121.19 3a4j h GLU 144 Ca 0.28 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 3a4j h GLU 144 Cb -0.11 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 27.73 3a4j h GLU 144 CO -0.06 0.95 0.04 0.93 -1.40 0.00 0.00 179.01 179.47 3a4j h GLU 145 N 0.73 0.17 -0.69 2.33 5.08 -1.79 -1.95 114.58 118.45 3a4j h GLU 145 Ca 0.13 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3a4j h GLU 145 Cb 0.60 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 3a4j h GLU 145 CO 0.04 0.31 0.38 -0.07 -1.00 0.00 0.00 179.01 178.67 3a4j h LEU 146 N -0.01 0.86 -0.52 1.33 3.38 -0.89 -1.23 115.31 118.23 3a4j h LEU 146 Ca 0.04 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3a4j h LEU 146 Cb 0.21 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3a4j h LEU 146 CO -0.00 0.69 0.27 0.74 0.09 0.00 0.00 178.44 180.23 3a4j h THR 147 N 0.97 0.97 -0.34 0.22 2.02 -0.89 -0.60 112.91 115.26 3a4j h THR 147 Ca 0.25 -0.18 0.06 0.00 0.77 0.00 0.00 66.41 67.30 3a4j h THR 147 Cb 0.03 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 66.78 3a4j h THR 147 CO -0.04 0.10 0.02 1.56 0.37 0.00 0.00 175.52 177.53 3a4j h GLN 148 N 0.53 0.12 -0.17 6.66 4.20 -0.54 0.03 115.11 125.94 3a4j h GLN 148 Ca 0.23 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 3a4j h GLN 148 Cb 0.13 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3a4j h GLN 148 CO -0.15 0.08 0.09 0.35 -0.67 0.00 0.00 178.83 178.53 3a4j h PHE 149 N 0.12 0.23 -0.69 2.96 3.57 -0.72 -0.02 116.94 122.39 3a4j h PHE 149 Ca 0.16 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 3a4j h PHE 149 Cb 0.21 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3a4j h PHE 149 CO -0.22 0.21 0.27 0.74 -2.23 0.00 0.00 178.31 177.08 3a4j h PHE 150 N 0.18 1.06 -0.67 0.41 0.04 -0.91 -2.25 116.94 114.80 3a4j h PHE 150 Ca 0.06 -0.08 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 3a4j h PHE 150 Cb 0.06 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.86 3a4j h PHE 150 CO -0.04 0.83 0.20 -0.07 -0.60 0.00 0.00 178.31 178.62 3a4j h LEU 151 N 0.99 0.97 -0.72 1.54 3.38 -0.79 -2.07 115.31 118.61 3a4j h LEU 151 Ca 0.23 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3a4j h LEU 151 Cb 0.22 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3a4j h LEU 151 CO -0.02 0.91 -0.09 -0.09 0.09 0.00 0.00 178.44 179.25 3a4j h ARG 152 N 0.99 0.89 0.00 1.13 2.43 -0.59 0.24 114.38 119.47 3a4j h ARG 152 Ca 0.22 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3a4j h ARG 152 Cb 0.30 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3a4j h ARG 152 CO -0.01 0.94 -0.14 0.93 -1.51 0.00 0.00 179.97 180.18 3a4j h GLU 153 N 0.81 0.00 0.08 0.20 5.08 -0.99 0.15 114.58 119.90 3a4j h GLU 153 Ca 0.14 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.29 3a4j h GLU 153 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3a4j h GLU 153 CO 0.04 0.14 -1.06 0.82 -1.00 0.00 0.00 179.01 177.95 3a4j h ILE 154 N 0.00 1.20 0.01 3.13 2.04 -1.03 -0.40 117.51 122.47 3a4j h ILE 154 Ca -0.00 -2.37 -0.35 0.00 1.00 0.00 0.00 64.86 63.15 3a4j h ILE 154 Cb 0.42 2.80 -0.06 0.00 -0.74 0.00 0.00 36.82 39.24 3a4j h ILE 154 CO 0.02 0.61 -2.14 0.00 0.00 0.00 0.00 178.15 176.65 3a4j n GLN 155 N -4.16 0.67 -0.13 2.37 6.02 0.82 -4.38 117.38 118.58 3a4j n GLN 155 Ca -0.22 0.14 -0.28 0.00 -0.01 0.00 0.00 57.00 56.63 3a4j n GLN 155 Cb 0.78 -1.63 -0.09 0.00 1.02 0.00 0.00 30.24 30.31 3a4j n GLN 155 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 3a4j n HIS 156 N -2.97 0.00 0.00 1.08 -0.00 0.31 -5.05 115.22 108.59 3a4j n HIS 156 Ca -0.29 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.89 3a4j n HIS 156 Cb 1.09 -0.93 0.00 0.00 -0.12 0.00 0.00 29.99 30.03 3a4j n HIS 156 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3a4j n GLY 157 N 1.40 4.31 3.71 1.57 0.00 -0.04 -4.56 105.19 111.58 3a4j n GLY 157 Ca -0.51 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 3a4j n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a4j s ILE 158 N -2.00 5.00 0.00 -0.61 1.01 0.42 -4.15 121.20 120.87 3a4j s ILE 158 Ca 0.00 1.54 0.00 0.00 0.00 0.00 0.00 60.65 62.19 3a4j s ILE 158 Cb 0.00 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.38 3a4j s ILE 158 CO 0.00 0.20 0.00 -0.62 0.00 0.00 0.00 174.94 174.52 3a4j n GLU 159 N 4.06 0.00 -0.61 2.79 1.02 -1.26 -1.35 120.64 125.28 3a4j n GLU 159 Ca 0.01 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 3a4j n GLU 159 Cb 0.51 0.00 0.32 0.00 -0.02 0.00 0.00 31.44 32.25 3a4j n GLU 159 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3a4j n ASP 160 N 3.65 4.62 0.06 1.62 5.75 -1.26 -4.65 116.55 126.33 3a4j n ASP 160 Ca 0.00 -2.84 0.11 0.00 -0.01 0.00 0.00 54.79 52.06 3a4j n ASP 160 Cb 0.00 -0.58 0.03 0.00 -1.03 0.00 0.00 41.12 39.54 3a4j n ASP 160 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3a4j n THR 161 N 0.20 0.36 -0.47 2.12 -2.24 -0.46 -4.96 114.28 108.83 3a4j n THR 161 Ca 0.24 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3a4j n THR 161 Cb 0.97 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 3a4j n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a4j n GLY 162 N 1.29 1.57 3.70 3.38 0.00 -1.26 -4.95 105.19 108.91 3a4j n GLY 162 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3a4j n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a4j s ILE 163 N -3.01 4.62 -0.16 -0.61 1.01 -1.26 -4.67 121.20 117.12 3a4j s ILE 163 Ca 0.00 1.90 -0.10 0.00 0.00 0.00 0.00 60.65 62.45 3a4j s ILE 163 Cb 0.00 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 3a4j s ILE 163 CO 0.00 0.05 0.18 -0.13 0.00 0.00 0.00 174.94 175.04 3a4j s ARG 164 N 1.73 3.99 0.46 2.79 0.52 -1.26 -0.44 118.95 126.74 3a4j s ARG 164 Ca 0.52 -0.10 -0.23 0.00 -0.52 0.00 0.00 55.73 55.39 3a4j s ARG 164 Cb -0.21 -3.35 -0.07 0.00 0.52 0.00 0.00 34.95 31.83 3a4j s ARG 164 CO 0.22 0.43 1.21 0.00 0.02 0.00 0.00 175.30 177.19 3a4j s ALA 165 N -0.06 3.01 -0.76 2.13 0.00 -0.16 -4.60 121.76 121.33 3a4j s ALA 165 Ca 0.12 1.04 0.08 0.00 0.00 0.00 0.00 51.96 53.20 3a4j s ALA 165 Cb -0.12 -3.42 0.19 0.00 0.00 0.00 0.00 23.12 19.77 3a4j s ALA 165 CO 0.01 -0.76 1.09 0.41 0.00 0.00 0.00 175.76 176.51 3a4j n GLY 166 N 0.54 2.03 3.43 0.00 0.00 0.35 -4.60 105.19 106.94 3a4j n GLY 166 Ca 0.07 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 3a4j n GLY 166 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a4j s ILE 167 N -0.93 0.01 0.40 -0.61 2.07 -1.20 -4.38 121.20 116.57 3a4j s ILE 167 Ca 0.15 -0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.29 3a4j s ILE 167 Cb 0.08 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.68 3a4j s ILE 167 CO 0.11 -0.07 0.09 -0.38 -1.91 0.00 0.00 174.94 172.79 3a4j n ILE 168 N 0.17 0.00 0.00 2.00 5.41 -0.15 -1.07 119.36 125.73 3a4j n ILE 168 Ca -0.18 -1.77 0.00 0.00 1.00 0.00 0.00 62.75 61.80 3a4j n ILE 168 Cb 0.62 0.21 0.00 0.00 -0.71 0.00 0.00 39.64 39.76 3a4j n ILE 168 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3a4j n VAL 170 N -1.12 0.00 -3.68 1.39 0.24 -0.54 -0.52 118.33 114.10 3a4j n VAL 170 Ca -0.12 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.08 3a4j n VAL 170 Cb 0.48 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.75 3a4j n VAL 170 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a4j s ALA 171 N -2.00 -1.08 -0.08 2.33 0.00 -1.22 -0.84 121.76 118.86 3a4j s ALA 171 Ca 0.00 1.53 -0.00 0.00 0.00 0.00 0.00 51.96 53.49 3a4j s ALA 171 Cb 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 3a4j s ALA 171 CO 0.00 -0.40 -0.06 0.95 0.00 0.00 0.00 175.76 176.25 3a4j s THR 172 N 1.72 3.77 -0.48 0.00 -4.23 -0.82 -4.84 115.64 110.76 3a4j s THR 172 Ca -0.07 -0.45 0.01 0.00 -1.18 0.00 0.00 61.69 60.00 3a4j s THR 172 Cb -0.09 -2.56 0.13 0.00 1.34 0.00 0.00 72.50 71.31 3a4j s THR 172 CO -0.13 0.58 0.24 0.42 -0.54 0.00 0.00 174.62 175.19 3a4j s THR 173 N -0.60 2.88 0.00 3.99 -4.23 -1.26 -3.68 115.64 112.73 3a4j s THR 173 Ca 0.09 -2.81 0.00 0.00 -1.18 0.00 0.00 61.69 57.79 3a4j s THR 173 Cb -0.12 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.74 3a4j s THR 173 CO 0.02 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 173.96 3a4j n GLY 174 N 3.70 -1.80 3.77 3.99 0.00 -1.26 -4.76 105.19 108.83 3a4j n GLY 174 Ca 0.04 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 3a4j n GLY 174 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a4j s LYS 175 N 0.00 4.11 0.59 1.61 2.20 -1.26 -4.82 119.74 122.17 3a4j s LYS 175 Ca 0.00 2.39 -0.19 0.00 -0.36 0.00 0.00 55.97 57.81 3a4j s LYS 175 Cb 0.00 -2.93 -0.03 0.00 -1.51 0.00 0.00 37.83 33.35 3a4j s LYS 175 CO 0.00 -0.46 1.25 0.00 -0.36 0.00 0.00 175.35 175.78 3a4j s ALA 176 N -1.16 2.57 0.60 3.13 0.00 -1.26 -5.02 121.76 120.63 3a4j s ALA 176 Ca 0.53 1.10 -0.06 0.00 0.00 0.00 0.00 51.96 53.53 3a4j s ALA 176 Cb -0.43 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.21 3a4j s ALA 176 CO 0.57 -1.25 0.91 0.95 0.00 0.00 0.00 175.76 176.94 3a4j s THR 177 N -1.50 3.57 0.25 0.00 -4.23 -1.26 -4.92 115.64 107.55 3a4j s THR 177 Ca 0.77 -0.02 -0.05 0.00 -1.18 0.00 0.00 61.69 61.21 3a4j s THR 177 Cb -0.33 -3.42 0.23 0.00 1.34 0.00 0.00 72.50 70.32 3a4j s THR 177 CO 0.37 -0.44 1.88 -0.65 -0.54 0.00 0.00 174.62 175.24 3a4j h PRO 178 N -0.20 1.09 -0.33 3.99 0.11 -2.00 -0.33 132.00 134.33 3a4j h PRO 178 Ca -0.45 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 3a4j h PRO 178 Cb 1.26 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3a4j h PRO 178 CO 0.61 0.72 -0.27 0.35 -0.21 0.00 0.00 178.00 179.20 3a4j h PHE 179 N 1.13 0.91 -0.68 0.65 3.57 -1.94 -2.19 116.94 118.39 3a4j h PHE 179 Ca 0.38 -0.26 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3a4j h PHE 179 Cb 0.06 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 3a4j h PHE 179 CO -0.01 1.02 0.45 1.96 -2.23 0.00 0.00 178.31 179.49 3a4j h GLN 180 N 0.54 0.89 -0.76 1.11 4.20 -1.75 -0.44 115.11 118.91 3a4j h GLN 180 Ca 0.06 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3a4j h GLN 180 Cb 0.84 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 3a4j h GLN 180 CO 0.07 0.59 0.33 1.49 -0.67 0.00 0.00 178.83 180.64 3a4j h GLU 181 N 0.91 1.11 -0.94 1.46 4.81 -0.72 -0.25 114.58 120.97 3a4j h GLU 181 Ca 0.25 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3a4j h GLU 181 Cb -0.10 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.04 3a4j h GLU 181 CO -0.05 0.89 0.62 -0.07 -0.73 0.00 0.00 179.01 179.67 3a4j h LEU 182 N 1.08 1.08 -0.30 1.64 3.38 -0.64 -1.08 115.31 120.48 3a4j h LEU 182 Ca 0.26 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.20 3a4j h LEU 182 Cb 0.17 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3a4j h LEU 182 CO -0.03 0.78 0.19 0.58 0.09 0.00 0.00 178.44 180.05 3a4j h VAL 183 N 1.28 1.05 -0.62 1.22 2.07 -0.54 0.70 116.25 121.41 3a4j h VAL 183 Ca 0.34 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.68 3a4j h VAL 183 Cb -0.14 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3a4j h VAL 183 CO -0.07 0.07 0.17 -0.07 0.02 0.00 0.00 177.57 177.68 3a4j h LEU 184 N 0.38 0.90 -0.39 2.57 4.07 -0.72 0.39 115.31 122.51 3a4j h LEU 184 Ca 0.11 -0.17 -0.14 0.00 0.08 0.00 0.00 57.88 57.77 3a4j h LEU 184 Cb -0.02 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.47 3a4j h LEU 184 CO -0.04 0.86 -0.30 0.03 -1.08 0.00 0.00 178.44 177.92 3a4j h ARG 185 N 0.93 0.88 -0.64 1.13 3.08 -0.86 -0.48 114.38 118.41 3a4j h ARG 185 Ca 0.20 -0.43 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 3a4j h ARG 185 Cb 0.31 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3a4j h ARG 185 CO -0.00 1.08 0.18 0.00 -1.07 0.00 0.00 179.97 180.16 3a4j h ALA 186 N 0.78 1.11 -0.48 0.04 0.00 -0.59 -0.27 119.26 119.86 3a4j h ALA 186 Ca 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3a4j h ALA 186 Cb 0.88 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3a4j h ALA 186 CO 0.08 0.60 0.24 0.00 0.00 0.00 0.00 179.25 180.17 3a4j h ALA 187 N 1.24 0.61 -0.61 0.00 0.00 -0.73 0.50 119.26 120.28 3a4j h ALA 187 Ca 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3a4j h ALA 187 Cb 0.30 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3a4j h ALA 187 CO -0.00 0.16 0.34 0.00 0.00 0.00 0.00 179.25 179.75 3a4j h ALA 188 N 1.08 0.78 -0.41 0.00 0.00 -0.65 0.13 119.26 120.19 3a4j h ALA 188 Ca 0.16 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3a4j h ALA 188 Cb 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3a4j h ALA 188 CO -0.02 0.29 -0.18 0.00 0.00 0.00 0.00 179.25 179.33 3a4j h ARG 189 N 0.83 0.80 -0.64 0.00 3.08 -0.73 0.00 114.38 117.71 3a4j h ARG 189 Ca 0.22 -0.30 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 3a4j h ARG 189 Cb 0.03 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3a4j h ARG 189 CO -0.04 0.92 0.06 0.00 -1.07 0.00 0.00 179.97 179.85 3a4j h ALA 190 N 1.09 0.90 -0.55 0.04 0.00 -0.64 -1.34 119.26 118.77 3a4j h ALA 190 Ca 0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3a4j h ALA 190 Cb 0.69 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3a4j h ALA 190 CO 0.05 0.67 0.15 1.03 0.00 0.00 0.00 179.25 181.15 3a4j h SER 191 N 1.01 0.81 -0.64 0.00 0.87 -0.72 -2.04 113.55 112.83 3a4j h SER 191 Ca 0.19 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 3a4j h SER 191 Cb 0.49 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 3a4j h SER 191 CO 0.02 0.82 0.30 -0.07 -0.53 0.00 0.00 176.83 177.36 3a4j h LEU 192 N 0.76 0.87 -0.75 2.23 3.38 -0.70 0.38 115.31 121.47 3a4j h LEU 192 Ca 0.17 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3a4j h LEU 192 Cb 0.31 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3a4j h LEU 192 CO -0.00 0.75 -0.44 0.00 0.09 0.00 0.00 178.44 178.84 3a4j h ALA 193 N 1.38 0.92 0.00 1.53 0.00 -0.97 -3.38 119.26 118.74 3a4j h ALA 193 Ca 0.23 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3a4j h ALA 193 Cb 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3a4j h ALA 193 CO -0.03 0.55 -1.12 0.25 0.00 0.00 0.00 179.25 178.90 3a4j n THR 194 N -3.51 0.04 -0.44 0.00 -2.24 -0.79 -5.02 114.28 102.32 3a4j n THR 194 Ca -0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3a4j n THR 194 Cb 0.57 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 3a4j n THR 194 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a4j n GLY 195 N 2.50 1.63 3.77 3.38 0.00 0.13 -4.66 105.19 111.94 3a4j n GLY 195 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3a4j n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a4j s VAL 196 N -3.27 3.36 0.80 1.61 1.01 -1.25 -1.70 120.40 120.96 3a4j s VAL 196 Ca 0.00 1.15 -0.12 0.00 0.00 0.00 0.00 61.98 63.01 3a4j s VAL 196 Cb 0.00 -3.65 0.07 0.00 0.00 0.00 0.00 36.38 32.81 3a4j s VAL 196 CO 0.00 0.11 1.16 -2.16 0.00 0.00 0.00 175.10 174.21 3a4j s PRO 197 N -2.21 2.04 -0.07 2.72 0.04 -1.26 -4.47 135.00 131.78 3a4j s PRO 197 Ca 0.55 0.20 0.03 0.00 0.04 0.00 0.00 61.00 61.83 3a4j s PRO 197 Cb -0.28 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 3a4j s PRO 197 CO 0.36 -1.56 -0.16 0.08 0.04 0.00 0.00 177.00 175.76 3a4j s VAL 198 N -3.50 2.88 0.06 -0.36 1.01 0.31 -0.98 120.40 119.83 3a4j s VAL 198 Ca 0.61 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.88 3a4j s VAL 198 Cb -0.11 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 3a4j s VAL 198 CO 0.50 0.57 -0.15 0.28 0.00 0.00 0.00 175.10 176.30 3a4j s THR 199 N -0.35 1.16 0.12 3.92 -1.32 0.32 -1.11 115.64 118.39 3a4j s THR 199 Ca 0.03 -1.21 0.08 0.00 -1.21 0.00 0.00 61.69 59.38 3a4j s THR 199 Cb -0.12 -1.08 -0.04 0.00 -1.51 0.00 0.00 72.50 69.74 3a4j s THR 199 CO 0.02 -0.13 -0.20 0.42 -2.21 0.00 0.00 174.62 172.53 3a4j s THR 200 N -1.11 1.73 -0.09 5.08 -4.23 -0.19 -1.47 115.64 115.37 3a4j s THR 200 Ca -0.00 -1.68 -0.13 0.00 -1.18 0.00 0.00 61.69 58.70 3a4j s THR 200 Cb -0.09 -1.65 -0.05 0.00 1.34 0.00 0.00 72.50 72.05 3a4j s THR 200 CO 0.02 -0.16 0.32 -2.28 -0.54 0.00 0.00 174.62 171.98 3a4j s HIS 201 N -1.50 3.59 0.36 3.99 2.46 -0.02 -1.45 115.29 122.71 3a4j s HIS 201 Ca 0.10 0.75 0.04 0.00 0.47 0.00 0.00 55.06 56.41 3a4j s HIS 201 Cb -0.08 -2.26 -0.06 0.00 -0.13 0.00 0.00 32.58 30.05 3a4j s HIS 201 CO 0.05 0.47 0.06 0.95 -2.47 0.00 0.00 174.74 173.80 3a4j s THR 202 N -0.36 1.22 -0.46 0.89 -4.23 -1.24 -1.94 115.64 109.52 3a4j s THR 202 Ca 0.19 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.55 3a4j s THR 202 Cb -0.14 -2.73 0.06 0.00 1.34 0.00 0.00 72.50 71.03 3a4j s THR 202 CO 0.08 0.00 0.39 -0.55 -0.54 0.00 0.00 174.62 174.00 3a4j s SER 203 N -3.56 6.15 0.32 3.99 0.15 -1.24 -4.85 113.70 114.66 3a4j s SER 203 Ca 0.33 -1.24 0.06 0.00 0.70 0.00 0.00 55.95 55.80 3a4j s SER 203 Cb 0.08 -2.18 0.53 0.00 -1.71 0.00 0.00 66.02 62.74 3a4j s SER 203 CO 0.15 -0.62 1.78 0.00 1.20 0.00 0.00 173.24 175.75 3a4j h ALA 204 N 8.74 1.23 0.00 5.45 0.00 -1.88 -1.62 119.26 131.19 3a4j h ALA 204 Ca -0.28 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 3a4j h ALA 204 Cb 1.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3a4j h ALA 204 CO 0.86 0.50 -0.10 0.66 0.00 0.00 0.00 179.25 181.17 3a4j h SER 205 N 0.32 0.00 -0.51 0.00 4.64 -1.92 0.58 113.55 116.65 3a4j h SER 205 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3a4j h SER 205 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3a4j h SER 205 CO 0.04 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 3a4j n GLN 206 N -3.46 2.36 -3.89 4.77 6.02 -0.79 -4.95 117.38 117.45 3a4j n GLN 206 Ca -0.01 -2.09 -0.28 0.00 -0.01 0.00 0.00 57.00 54.60 3a4j n GLN 206 Cb 0.25 -1.47 0.02 0.00 1.02 0.00 0.00 30.24 30.06 3a4j n GLN 206 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3a4j n ARG 207 N 1.23 -5.11 0.27 -1.09 1.74 0.19 -4.83 116.66 109.05 3a4j n ARG 207 Ca 0.20 0.58 0.15 0.00 -0.77 0.00 0.00 57.85 58.00 3a4j n ARG 207 Cb 0.51 -5.33 0.70 0.00 -1.02 0.00 0.00 32.46 27.33 3a4j n ARG 207 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3a4j h GLY 208 N -1.99 0.00 2.00 -0.13 0.00 -1.55 -2.25 103.07 99.15 3a4j h GLY 208 Ca -0.59 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 3a4j h GLY 208 CO 0.65 0.00 -0.05 -1.33 0.00 0.00 0.00 176.54 175.81 3a4j h GLY 209 N 1.48 0.00 0.97 4.60 0.00 -1.88 -2.71 103.07 105.53 3a4j h GLY 209 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3a4j h GLY 209 CO 0.01 0.00 0.05 0.83 0.00 0.00 0.00 176.54 177.44 3a4j h GLU 210 N 0.00 0.78 -0.09 4.80 5.08 -1.77 0.02 114.58 123.41 3a4j h GLU 210 Ca -0.00 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.01 3a4j h GLU 210 Cb 0.14 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3a4j h GLU 210 CO 0.01 0.81 -0.51 0.37 -1.00 0.00 0.00 179.01 178.69 3a4j h GLN 211 N 0.64 0.23 0.14 2.33 4.15 -1.69 -1.61 115.11 119.31 3a4j h GLN 211 Ca 0.14 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 3a4j h GLN 211 Cb 0.42 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 3a4j h GLN 211 CO 0.01 0.69 -0.09 1.96 -1.93 0.00 0.00 178.83 179.47 3a4j h GLN 212 N 0.18 -0.21 -0.92 1.69 4.20 -1.28 -1.91 115.11 116.86 3a4j h GLN 212 Ca 0.01 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.81 3a4j h GLN 212 Cb 0.96 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.72 3a4j h GLN 212 CO 0.08 -0.14 0.57 0.00 -0.67 0.00 0.00 178.83 178.66 3a4j h ALA 213 N 0.63 1.30 -0.40 3.87 0.00 -0.79 0.27 119.26 124.13 3a4j h ALA 213 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3a4j h ALA 213 Cb 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3a4j h ALA 213 CO 0.01 0.27 0.25 0.00 0.00 0.00 0.00 179.25 179.79 3a4j h ALA 214 N 1.46 0.51 -0.28 0.00 0.00 -0.93 0.93 119.26 120.94 3a4j h ALA 214 Ca 0.42 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 3a4j h ALA 214 Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3a4j h ALA 214 CO -0.21 -0.06 0.00 0.82 0.00 0.00 0.00 179.25 179.80 3a4j h ILE 215 N 0.52 1.26 -0.92 0.00 2.04 -0.67 -1.45 117.51 118.28 3a4j h ILE 215 Ca 0.15 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 3a4j h ILE 215 Cb -0.03 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3a4j h ILE 215 CO -0.05 0.29 0.56 -0.26 0.00 0.00 0.00 178.15 178.70 3a4j h PHE 216 N 0.28 1.20 -0.02 1.37 0.04 -0.68 -2.01 116.94 117.12 3a4j h PHE 216 Ca 0.08 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.75 3a4j h PHE 216 Cb 0.42 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3a4j h PHE 216 CO 0.03 0.79 -0.47 0.93 -0.60 0.00 0.00 178.31 178.99 3a4j h GLU 217 N 1.26 0.04 0.00 1.51 5.08 -0.70 -1.84 114.58 119.93 3a4j h GLU 217 Ca 0.33 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 3a4j h GLU 217 Cb -0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3a4j h GLU 217 CO -0.06 0.50 -0.06 0.66 -1.00 0.00 0.00 179.01 179.05 3a4j h SER 218 N 0.03 0.00 0.15 1.42 4.64 -0.52 -0.50 113.55 118.77 3a4j h SER 218 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a4j h SER 218 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3a4j h SER 218 CO 0.06 0.06 -0.18 -0.62 -0.87 0.00 0.00 176.83 175.28 3a4j n GLU 219 N -3.38 1.13 -0.94 4.77 -0.58 -0.76 -4.96 120.64 115.92 3a4j n GLU 219 Ca -0.02 -0.68 0.00 0.00 -0.42 0.00 0.00 57.16 56.04 3a4j n GLU 219 Cb 0.20 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 3a4j n GLU 219 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a4j n GLY 220 N 1.29 0.46 3.74 0.62 0.00 -0.20 -4.94 105.19 106.17 3a4j n GLY 220 Ca 0.14 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 3a4j n GLY 220 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a4j s LEU 221 N 0.00 4.55 0.17 0.99 2.96 -0.79 -5.01 118.68 121.55 3a4j s LEU 221 Ca 0.00 2.02 -0.30 0.00 -0.22 0.00 0.00 54.13 55.63 3a4j s LEU 221 Cb 0.00 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 43.01 3a4j s LEU 221 CO 0.00 -0.06 1.18 -0.55 -1.32 0.00 0.00 176.35 175.60 3a4j s SER 222 N -0.56 7.12 0.57 3.68 0.15 -1.26 -4.50 113.70 118.90 3a4j s SER 222 Ca 0.45 2.17 0.27 0.00 0.70 0.00 0.00 55.95 59.54 3a4j s SER 222 Cb -0.28 -2.60 1.55 0.00 -1.71 0.00 0.00 66.02 62.98 3a4j s SER 222 CO 0.34 -0.35 2.07 -0.65 1.20 0.00 0.00 173.24 175.85 3a4j h PRO 223 N 5.42 0.00 0.00 5.44 0.11 -1.85 -0.22 132.00 140.91 3a4j h PRO 223 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3a4j h PRO 223 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3a4j h PRO 223 CO 0.75 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.41 3a4j n SER 224 N -4.00 0.60 -0.92 -2.05 3.41 -1.21 -1.38 113.62 108.06 3a4j n SER 224 Ca 0.03 0.71 0.10 0.00 -0.26 0.00 0.00 58.87 59.45 3a4j n SER 224 Cb 0.37 -0.81 0.27 0.00 -0.26 0.00 0.00 64.21 63.78 3a4j n SER 224 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3a4j n ARG 225 N -2.23 2.18 -4.69 4.33 5.12 -0.09 -4.85 116.66 116.43 3a4j n ARG 225 Ca 0.00 -1.80 -0.25 0.00 -1.93 0.00 0.00 57.85 53.87 3a4j n ARG 225 Cb 0.13 -1.45 -0.16 0.00 -1.16 0.00 0.00 32.46 29.82 3a4j n ARG 225 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3a4j s VAL 226 N -1.52 1.27 -0.21 1.55 1.01 -0.48 -0.53 120.40 121.49 3a4j s VAL 226 Ca 0.36 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 3a4j s VAL 226 Cb 0.20 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 3a4j s VAL 226 CO 0.28 0.38 0.01 0.00 0.00 0.00 0.00 175.10 175.76 3a4j s ILE 228 N 1.09 4.53 0.71 0.00 -1.09 -0.02 -1.02 121.20 125.41 3a4j s ILE 228 Ca 0.02 0.08 -0.04 0.00 -2.23 0.00 0.00 60.65 58.48 3a4j s ILE 228 Cb -0.14 -4.46 0.10 0.00 -1.58 0.00 0.00 42.46 36.37 3a4j s ILE 228 CO 0.02 -1.01 1.00 -0.83 -1.23 0.00 0.00 174.94 172.89 3a4j s GLY 229 N 2.76 1.75 -1.49 6.18 0.00 -0.53 -0.86 107.32 115.14 3a4j s GLY 229 Ca 0.26 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.68 3a4j s GLY 229 CO 0.17 -0.82 0.00 1.42 0.00 0.00 0.00 173.10 173.87 3a4j n HIS 230 N -2.90 -1.13 0.40 1.90 8.25 -1.13 -3.67 115.22 116.94 3a4j n HIS 230 Ca 0.11 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.71 3a4j n HIS 230 Cb 0.60 -3.43 0.49 0.00 1.12 0.00 0.00 29.99 28.78 3a4j n HIS 230 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3a4j h SER 231 N 0.00 0.00 -0.01 0.41 0.02 -1.09 -1.95 113.55 110.94 3a4j h SER 231 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3a4j h SER 231 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3a4j h SER 231 CO 0.48 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.27 3a4j n ASP 232 N -2.53 0.35 0.00 3.07 5.75 -1.25 -3.38 116.55 118.57 3a4j n ASP 232 Ca 0.03 -1.18 0.11 0.00 -0.01 0.00 0.00 54.79 53.74 3a4j n ASP 232 Cb 0.31 -0.00 0.56 0.00 -1.03 0.00 0.00 41.12 40.96 3a4j n ASP 232 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3a4j n ASP 233 N -0.70 0.00 -4.23 -1.12 8.00 -0.73 -4.76 116.55 113.01 3a4j n ASP 233 Ca 0.21 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.56 3a4j n ASP 233 Cb 0.16 -0.30 -0.11 0.00 -0.02 0.00 0.00 41.12 40.85 3a4j n ASP 233 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3a4j s THR 234 N -2.60 1.21 -0.91 -3.53 -1.32 -1.22 -4.73 115.64 102.55 3a4j s THR 234 Ca 0.21 -1.79 0.16 0.00 -1.21 0.00 0.00 61.69 59.05 3a4j s THR 234 Cb 0.15 -1.58 0.71 0.00 -1.51 0.00 0.00 72.50 70.28 3a4j s THR 234 CO 0.35 -0.53 1.61 0.47 -2.21 0.00 0.00 174.62 174.31 3a4j n ASP 235 N 0.34 4.82 -4.57 8.08 8.00 -1.26 -4.89 116.55 127.07 3a4j n ASP 235 Ca -0.14 -2.56 -0.35 0.00 0.71 0.00 0.00 54.79 52.45 3a4j n ASP 235 Cb 0.58 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 3a4j n ASP 235 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3a4j s ASP 236 N -0.82 5.95 0.48 -2.24 -1.08 -1.26 -4.79 116.67 112.92 3a4j s ASP 236 Ca 0.49 -1.46 0.32 0.00 -0.52 0.00 0.00 52.55 51.38 3a4j s ASP 236 Cb 0.34 -2.57 1.31 0.00 -1.46 0.00 0.00 42.92 40.53 3a4j s ASP 236 CO 0.21 -2.04 1.93 -0.07 0.52 0.00 0.00 175.17 175.72 3a4j h LEU 237 N 14.95 0.00 -0.09 -1.34 3.38 -1.98 -1.50 115.31 128.73 3a4j h LEU 237 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3a4j h LEU 237 Cb 0.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 3a4j h LEU 237 CO 1.34 0.00 0.03 0.28 0.09 0.00 0.00 178.44 180.18 3a4j h SER 238 N 0.00 0.12 -0.18 -0.43 0.02 -1.99 0.89 113.55 111.99 3a4j h SER 238 Ca 0.00 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.78 3a4j h SER 238 Cb 0.46 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 3a4j h SER 238 CO 0.00 0.27 0.07 0.22 -1.14 0.00 0.00 176.83 176.25 3a4j h TYR 239 N -0.03 0.12 -0.25 3.45 3.20 -1.86 -0.68 116.97 120.92 3a4j h TYR 239 Ca 0.03 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 3a4j h TYR 239 Cb 0.19 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 3a4j h TYR 239 CO -0.01 0.06 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.26 3a4j h LEU 240 N 0.16 0.64 -1.17 2.82 3.38 -1.23 -2.18 115.31 117.73 3a4j h LEU 240 Ca 0.08 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 3a4j h LEU 240 Cb 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3a4j h LEU 240 CO -0.07 0.98 -0.36 0.71 0.09 0.00 0.00 178.44 179.79 3a4j h THR 241 N 0.31 1.02 -0.57 0.22 1.35 -0.85 -0.80 112.91 113.59 3a4j h THR 241 Ca 0.04 -1.36 -0.03 0.00 -0.55 0.00 0.00 66.41 64.51 3a4j h THR 241 Cb 0.80 1.79 -0.03 0.00 -1.73 0.00 0.00 68.15 68.98 3a4j h THR 241 CO 0.06 0.35 0.24 1.23 -0.25 0.00 0.00 175.52 177.15 3a4j h GLY 242 N 1.55 0.90 0.95 5.82 0.00 -0.79 0.11 103.07 111.61 3a4j h GLY 242 Ca -0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 3a4j h GLY 242 CO 0.05 0.45 -0.01 1.41 0.00 0.00 0.00 176.54 178.44 3a4j h LEU 243 N 0.77 0.70 -0.81 3.11 3.38 -1.06 -3.01 115.31 118.39 3a4j h LEU 243 Ca 0.19 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3a4j h LEU 243 Cb 0.18 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3a4j h LEU 243 CO -0.02 0.84 0.33 0.00 0.09 0.00 0.00 178.44 179.68 3a4j h ALA 244 N 0.88 1.05 -0.06 1.53 0.00 -0.95 -1.74 119.26 119.98 3a4j h ALA 244 Ca 0.11 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3a4j h ALA 244 Cb 0.49 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3a4j h ALA 244 CO 0.02 0.67 0.04 0.00 0.00 0.00 0.00 179.25 179.99 3a4j h ALA 245 N 1.18 2.00 -0.00 0.00 0.00 -0.74 -0.61 119.26 121.09 3a4j h ALA 245 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3a4j h ALA 245 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3a4j h ALA 245 CO -0.02 -0.08 -0.11 0.54 0.00 0.00 0.00 179.25 179.58 3a4j n ARG 246 N -4.44 0.56 0.00 0.00 1.74 -0.69 -4.92 116.66 108.91 3a4j n ARG 246 Ca -0.02 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 3a4j n ARG 246 Cb 0.15 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 3a4j n ARG 246 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a4j n GLY 247 N 1.31 0.58 3.76 -0.13 0.00 -0.24 -4.73 105.19 105.75 3a4j n GLY 247 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3a4j n GLY 247 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a4j s TYR 248 N -2.00 2.52 0.20 1.61 2.02 -0.97 -3.32 117.35 117.40 3a4j s TYR 248 Ca 0.00 1.54 -0.27 0.00 -0.37 0.00 0.00 57.07 57.97 3a4j s TYR 248 Cb 0.00 -3.33 -0.08 0.00 -0.40 0.00 0.00 41.96 38.14 3a4j s TYR 248 CO 0.00 -1.89 0.85 -0.51 -1.57 0.00 0.00 175.55 172.43 3a4j s LEU 249 N -4.26 4.60 -0.28 -1.29 1.43 -0.36 -4.38 118.68 114.15 3a4j s LEU 249 Ca 0.73 1.78 -0.05 0.00 -1.03 0.00 0.00 54.13 55.55 3a4j s LEU 249 Cb -0.25 -3.46 0.01 0.00 0.03 0.00 0.00 46.19 42.52 3a4j s LEU 249 CO 0.34 0.18 0.04 -0.69 0.23 0.00 0.00 176.35 176.44 3a4j s VAL 250 N -1.19 3.69 -0.49 -1.59 1.01 0.55 -0.84 120.40 121.55 3a4j s VAL 250 Ca 0.39 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 3a4j s VAL 250 Cb -0.24 -2.88 0.04 0.00 0.00 0.00 0.00 36.38 33.30 3a4j s VAL 250 CO 0.28 0.14 0.77 -0.83 0.00 0.00 0.00 175.10 175.47 3a4j s GLY 251 N 1.46 1.60 -1.08 4.51 0.00 -0.04 -1.44 107.32 112.34 3a4j s GLY 251 Ca 0.02 -1.25 -0.12 0.00 0.00 0.00 0.00 44.72 43.38 3a4j s GLY 251 CO 0.01 1.75 1.14 1.08 0.00 0.00 0.00 173.10 177.07 3a4j s LEU 252 N 3.25 6.01 -0.01 0.66 1.43 0.66 -0.70 118.68 130.00 3a4j s LEU 252 Ca 0.26 -3.21 0.01 0.00 -1.03 0.00 0.00 54.13 50.16 3a4j s LEU 252 Cb -0.14 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 43.82 3a4j s LEU 252 CO 0.19 -0.49 0.93 -0.90 0.23 0.00 0.00 176.35 176.31 3a4j n ASP 253 N 3.87 1.70 -0.61 2.29 5.68 -1.26 -1.67 116.55 126.55 3a4j n ASP 253 Ca 0.25 -1.89 0.05 0.00 -0.50 0.00 0.00 54.79 52.70 3a4j n ASP 253 Cb 0.42 -0.02 0.19 0.00 -1.14 0.00 0.00 41.12 40.58 3a4j n ASP 253 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3a4j n ARG 254 N -0.46 1.68 -0.28 0.11 1.74 -1.21 -0.93 116.66 117.32 3a4j n ARG 254 Ca 0.01 -3.05 0.09 0.00 -0.77 0.00 0.00 57.85 54.12 3a4j n ARG 254 Cb 0.31 -1.65 0.24 0.00 -1.02 0.00 0.00 32.46 30.33 3a4j n ARG 254 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3a4j h MET 255 N 0.81 0.26 -0.07 5.56 2.86 -1.69 0.16 114.93 122.83 3a4j h MET 255 Ca 0.05 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3a4j h MET 255 Cb 1.18 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.78 3a4j h MET 255 CO 0.10 0.17 0.00 -0.35 1.06 0.00 0.00 176.91 177.90 3a4j n PRO 256 N -5.16 1.44 -2.93 -0.22 -0.04 -1.26 -4.40 135.00 122.42 3a4j n PRO 256 Ca 0.18 -0.65 -0.44 0.00 -0.04 0.00 0.00 63.50 62.54 3a4j n PRO 256 Cb 0.56 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.60 3a4j n PRO 256 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3a4j s TYR 257 N -1.92 3.25 -0.09 0.54 2.02 0.56 -4.79 117.35 116.92 3a4j s TYR 257 Ca 0.35 -1.65 -0.03 0.00 -0.37 0.00 0.00 57.07 55.37 3a4j s TYR 257 Cb 0.18 -4.30 0.04 0.00 -0.40 0.00 0.00 41.96 37.48 3a4j s TYR 257 CO 0.29 -1.46 0.06 -1.54 -1.57 0.00 0.00 175.55 171.33 3a4j s SER 258 N 3.37 1.67 0.00 2.29 1.04 -1.24 -4.67 113.70 116.16 3a4j s SER 258 Ca 0.36 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.58 3a4j s SER 258 Cb -0.04 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.85 3a4j s SER 258 CO -0.06 -0.28 0.00 0.00 0.98 0.00 0.00 173.24 173.88 3a4j n ALA 259 N 5.26 0.00 0.00 5.32 0.00 -1.25 -4.81 120.51 125.02 3a4j n ALA 259 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3a4j n ALA 259 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3a4j n ALA 259 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3a4j n ILE 260 N 0.00 0.00 0.00 0.00 0.00 -1.26 -4.88 119.36 113.22 3a4j n ILE 260 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 3a4j n ILE 260 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39.64 39.64 3a4j n ILE 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3a4j n GLY 261 N 0.00 1.83 0.00 4.50 0.00 -1.26 -5.10 105.19 105.15 3a4j n GLY 261 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a4j n GLY 261 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a4j n LEU 262 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.86 117.00 116.64 3a4j n LEU 262 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3a4j n LEU 262 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3a4j n LEU 262 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.27 3a4j n GLU 263 N 0.00 0.00 -3.51 3.23 4.07 -1.26 -4.92 120.64 118.25 3a4j n GLU 263 Ca 0.00 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.82 3a4j n GLU 263 Cb 0.00 -0.05 -0.12 0.00 -0.06 0.00 0.00 31.44 31.21 3a4j n GLU 263 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3a4j s GLY 264 N -2.21 1.23 0.00 8.31 0.00 -1.26 -4.93 107.32 108.46 3a4j s GLY 264 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 44.72 42.43 3a4j s GLY 264 CO 0.00 1.95 0.00 1.34 0.00 0.00 0.00 173.10 176.39 3a4j n ASP 265 N 3.45 0.00 -0.36 1.64 4.64 -1.26 -5.06 116.55 119.61 3a4j n ASP 265 Ca 0.17 0.00 0.09 0.00 -1.38 0.00 0.00 54.79 53.67 3a4j n ASP 265 Cb 0.40 0.00 0.26 0.00 -1.04 0.00 0.00 41.12 40.74 3a4j n ASP 265 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3a4j h ALA 266 N 0.00 1.55 0.00 -1.67 0.00 -2.00 -1.27 119.26 115.87 3a4j h ALA 266 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3a4j h ALA 266 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3a4j h ALA 266 CO 0.00 0.13 -0.65 0.77 0.00 0.00 0.00 179.25 179.50 3a4j h SER 267 N 0.91 0.00 0.18 0.00 0.02 -1.98 -2.34 113.55 110.34 3a4j h SER 267 Ca 0.52 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.46 3a4j h SER 267 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3a4j h SER 267 CO -0.30 0.65 -0.09 0.00 -1.14 0.00 0.00 176.83 175.95 3a4j h ALA 268 N 1.35 -0.44 -0.98 3.77 0.00 -1.89 -2.12 119.26 118.96 3a4j h ALA 268 Ca -0.01 -0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.08 3a4j h ALA 268 Cb 1.38 0.09 -0.19 0.00 0.00 0.00 0.00 17.79 19.08 3a4j h ALA 268 CO 0.08 -0.42 -0.14 -0.11 0.00 0.00 0.00 179.25 178.67 3a4j n LEU 269 N -3.48 -0.26 -0.16 0.00 7.94 -0.51 -0.87 117.00 119.66 3a4j n LEU 269 Ca -0.03 1.68 -0.07 0.00 -1.11 0.00 0.00 56.01 56.48 3a4j n LEU 269 Cb 0.10 -0.55 0.02 0.00 0.53 0.00 0.00 43.42 43.51 3a4j n LEU 269 CO 0.07 -1.65 1.07 0.00 -1.11 0.00 0.00 177.39 175.77 3a4j h ALA 270 N 1.97 0.61 0.00 1.96 0.00 -1.48 -2.18 119.26 120.14 3a4j h ALA 270 Ca 0.52 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.32 3a4j h ALA 270 Cb 0.93 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3a4j h ALA 270 CO -0.98 0.05 -0.38 1.25 0.00 0.00 0.00 179.25 179.19 3a4j h LEU 271 N 0.64 0.00 0.00 0.00 5.85 -0.47 -3.26 115.31 118.07 3a4j h LEU 271 Ca 0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3a4j h LEU 271 Cb -0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3a4j h LEU 271 CO -0.04 0.38 -0.10 -0.26 -0.34 0.00 0.00 178.44 178.08 3a4j h PHE 272 N 0.00 0.00 -3.04 1.25 0.04 -0.57 -3.48 116.94 111.14 3a4j h PHE 272 Ca -0.00 0.00 0.35 0.00 2.80 0.00 0.00 57.97 61.12 3a4j h PHE 272 Cb 1.00 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.04 3a4j h PHE 272 CO 0.00 0.00 -0.64 0.41 -0.60 0.00 0.00 178.31 177.48 3a4j n GLY 273 N 1.17 -2.19 2.46 -1.45 0.00 -0.86 -3.72 105.19 100.61 3a4j n GLY 273 Ca 0.04 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 3a4j n GLY 273 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a4j n ASN 274 N -4.08 5.18 -4.55 1.61 4.13 -1.26 -4.02 115.26 112.26 3a4j n ASN 274 Ca -0.01 -3.74 -0.31 0.00 1.68 0.00 0.00 54.58 52.19 3a4j n ASN 274 Cb 0.62 -0.53 -0.11 0.00 -1.54 0.00 0.00 39.78 38.21 3a4j n ASN 274 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3a4j s ARG 275 N -3.62 2.34 0.76 3.52 0.52 -1.26 -5.05 118.95 116.15 3a4j s ARG 275 Ca 0.49 -0.85 -0.11 0.00 -0.52 0.00 0.00 55.73 54.74 3a4j s ARG 275 Cb 0.41 -2.38 0.05 0.00 0.52 0.00 0.00 34.95 33.55 3a4j s ARG 275 CO -0.18 0.57 1.10 -1.54 0.02 0.00 0.00 175.30 175.26 3a4j s SER 276 N -1.57 4.88 0.37 0.23 1.04 -1.26 -4.19 113.70 113.20 3a4j s SER 276 Ca 0.17 1.25 0.07 0.00 0.48 0.00 0.00 55.95 57.92 3a4j s SER 276 Cb -0.11 -2.01 0.74 0.00 0.10 0.00 0.00 66.02 64.74 3a4j s SER 276 CO 0.08 -1.72 1.94 4.11 0.98 0.00 0.00 173.24 178.64 3a4j h TRP 277 N -0.91 0.44 -0.38 5.02 5.08 -1.86 -1.84 115.95 121.50 3a4j h TRP 277 Ca -0.46 -0.03 -0.10 0.00 1.08 0.00 0.00 58.89 59.38 3a4j h TRP 277 Cb 1.26 -0.13 -0.02 0.00 -3.00 0.00 0.00 29.16 27.27 3a4j h TRP 277 CO 0.48 0.42 -0.19 1.96 -1.28 0.00 0.00 178.44 179.83 3a4j h GLN 278 N 0.43 0.72 -0.57 0.12 7.50 -1.92 0.17 115.11 121.55 3a4j h GLN 278 Ca 0.10 -0.27 0.04 0.00 0.50 0.00 0.00 58.65 59.01 3a4j h GLN 278 Cb 0.23 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 27.67 3a4j h GLN 278 CO 0.00 0.86 0.32 1.15 -1.50 0.00 0.00 178.83 179.67 3a4j h THR 279 N 0.64 1.02 -0.24 -0.54 2.02 -1.75 0.10 112.91 114.15 3a4j h THR 279 Ca 0.10 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 3a4j h THR 279 Cb 0.68 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3a4j h THR 279 CO 0.05 0.12 0.09 0.03 0.37 0.00 0.00 175.52 176.17 3a4j h ARG 280 N 0.63 0.37 0.00 6.66 3.08 -0.84 -2.92 114.38 121.36 3a4j h ARG 280 Ca 0.24 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 3a4j h ARG 280 Cb 0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3a4j h ARG 280 CO -0.13 0.42 -0.20 0.00 -1.07 0.00 0.00 179.97 178.99 3a4j h ALA 281 N 0.93 1.55 0.00 0.04 0.00 -0.29 -1.46 119.26 120.03 3a4j h ALA 281 Ca 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3a4j h ALA 281 Cb 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3a4j h ALA 281 CO -0.01 0.25 -0.04 -0.07 0.00 0.00 0.00 179.25 179.38 3a4j h LEU 282 N 0.00 0.00 -1.29 0.00 3.38 -0.78 -0.48 115.31 116.14 3a4j h LEU 282 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3a4j h LEU 282 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3a4j h LEU 282 CO 0.03 0.04 -0.36 -0.07 0.09 0.00 0.00 178.44 178.18 3a4j h LEU 283 N 0.00 0.00 0.12 1.67 3.38 -1.28 0.16 115.31 119.36 3a4j h LEU 283 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3a4j h LEU 283 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3a4j h LEU 283 CO 0.01 0.36 -0.06 0.40 0.09 0.00 0.00 178.44 179.23 3a4j h ILE 284 N 0.00 0.96 -0.61 1.22 2.04 -1.19 -1.30 117.51 118.64 3a4j h ILE 284 Ca -0.00 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 3a4j h ILE 284 Cb 0.63 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 3a4j h ILE 284 CO 0.05 0.07 0.26 0.50 0.00 0.00 0.00 178.15 179.03 3a4j h LYS 285 N -0.30 0.88 -0.65 2.37 3.64 -1.44 -1.36 116.57 119.71 3a4j h LYS 285 Ca -0.02 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3a4j h LYS 285 Cb 0.24 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 3a4j h LYS 285 CO 0.03 0.70 0.38 0.00 -2.27 0.00 0.00 179.45 178.30 3a4j h ALA 286 N 1.42 0.82 -0.21 5.00 0.00 -0.44 0.10 119.26 125.95 3a4j h ALA 286 Ca 0.21 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 3a4j h ALA 286 Cb 0.14 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3a4j h ALA 286 CO -0.02 0.31 -0.55 -0.07 0.00 0.00 0.00 179.25 178.91 3a4j h LEU 287 N 0.88 0.72 -0.73 0.00 3.38 -0.95 -2.60 115.31 116.01 3a4j h LEU 287 Ca 0.23 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3a4j h LEU 287 Cb -0.01 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3a4j h LEU 287 CO -0.04 1.13 0.48 0.40 0.09 0.00 0.00 178.44 180.50 3a4j h ILE 288 N 0.50 1.19 0.00 1.22 2.04 -0.80 -0.20 117.51 121.46 3a4j h ILE 288 Ca 0.01 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3a4j h ILE 288 Cb 1.12 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3a4j h ILE 288 CO 0.11 0.18 -0.01 0.44 0.00 0.00 0.00 178.15 178.87 3a4j h ASP 289 N 0.99 0.00 -0.43 1.72 3.32 -0.66 -1.52 116.42 119.84 3a4j h ASP 289 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3a4j h ASP 289 Cb -0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3a4j h ASP 289 CO -0.06 0.01 0.00 0.54 -1.72 0.00 0.00 179.24 178.02 3a4j n ARG 290 N -3.15 2.55 -0.19 3.56 1.74 -0.94 -4.95 116.66 115.28 3a4j n ARG 290 Ca -0.01 -2.35 0.00 0.00 -0.77 0.00 0.00 57.85 54.72 3a4j n ARG 290 Cb 0.19 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3a4j n ARG 290 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a4j n GLY 291 N 1.53 0.86 1.61 -0.13 0.00 -0.57 -5.00 105.19 103.49 3a4j n GLY 291 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 3a4j n GLY 291 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3a4j n TYR 292 N -2.17 1.90 -0.09 1.61 4.01 -0.13 -4.69 117.16 117.61 3a4j n TYR 292 Ca 0.00 -1.74 0.11 0.00 -0.16 0.00 0.00 57.90 56.11 3a4j n TYR 292 Cb 0.00 -0.68 0.47 0.00 -0.31 0.00 0.00 39.34 38.82 3a4j n TYR 292 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3a4j h LYS 293 N 1.03 0.45 0.00 -0.72 2.10 -1.80 -0.18 116.57 117.46 3a4j h LYS 293 Ca 0.39 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 3a4j h LYS 293 Cb 2.11 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 33.34 3a4j h LYS 293 CO 0.69 0.30 0.00 -0.25 -2.00 0.00 0.00 179.45 178.19 3a4j n ASP 294 N -4.47 0.00 -0.63 7.07 8.00 -1.26 -3.55 116.55 121.70 3a4j n ASP 294 Ca 0.09 -0.81 0.06 0.00 0.71 0.00 0.00 54.79 54.84 3a4j n ASP 294 Cb 0.33 -0.06 0.16 0.00 -0.02 0.00 0.00 41.12 41.53 3a4j n ASP 294 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3a4j n ARG 295 N -1.06 2.87 -4.70 -1.24 5.12 -0.08 -4.92 116.66 112.65 3a4j n ARG 295 Ca 0.22 -2.19 -0.33 0.00 -1.93 0.00 0.00 57.85 53.61 3a4j n ARG 295 Cb 0.13 -1.38 -0.13 0.00 -1.16 0.00 0.00 32.46 29.93 3a4j n ARG 295 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3a4j s ILE 296 N -1.43 3.40 -0.03 0.55 1.01 -1.23 -0.33 121.20 123.14 3a4j s ILE 296 Ca 0.26 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.39 3a4j s ILE 296 Cb 0.16 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.22 3a4j s ILE 296 CO 0.13 0.57 -0.19 -0.76 0.00 0.00 0.00 174.94 174.69 3a4j s LEU 297 N -0.37 1.98 -0.05 2.97 1.43 -0.52 -4.86 118.68 119.27 3a4j s LEU 297 Ca 0.05 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 3a4j s LEU 297 Cb -0.12 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 3a4j s LEU 297 CO 0.02 0.20 -0.17 -0.69 0.23 0.00 0.00 176.35 175.94 3a4j s VAL 298 N -0.18 2.78 0.21 -1.59 1.01 -1.26 -0.24 120.40 121.13 3a4j s VAL 298 Ca 0.01 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 3a4j s VAL 298 Cb -0.10 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.23 3a4j s VAL 298 CO 0.01 0.58 0.39 -1.20 0.00 0.00 0.00 175.10 174.89 3a4j n SER 299 N 2.49 -1.14 -0.04 3.32 7.64 -0.67 -3.94 113.62 121.28 3a4j n SER 299 Ca -0.17 -1.91 -0.05 0.00 1.01 0.00 0.00 58.87 57.75 3a4j n SER 299 Cb 0.52 1.94 -0.06 0.00 -1.01 0.00 0.00 64.21 65.60 3a4j n SER 299 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3a4j n HIS 300 N -0.30 0.00 -3.31 1.43 8.25 -0.98 -2.70 115.22 117.61 3a4j n HIS 300 Ca -0.04 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.21 3a4j n HIS 300 Cb 0.32 -0.39 0.06 0.00 1.12 0.00 0.00 29.99 31.10 3a4j n HIS 300 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3a4j n ASP 301 N -2.40 -5.97 -4.80 0.41 2.03 -0.11 -4.25 116.55 101.47 3a4j n ASP 301 Ca -0.14 -0.41 -0.25 0.00 0.52 0.00 0.00 54.79 54.51 3a4j n ASP 301 Cb 0.75 -4.67 0.09 0.00 -0.72 0.00 0.00 41.12 36.56 3a4j n ASP 301 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 3a4j s TRP 302 N -3.24 2.55 0.04 -0.67 -0.11 -1.26 -4.85 118.94 111.40 3a4j s TRP 302 Ca 0.45 0.27 -0.16 0.00 1.22 0.00 0.00 56.10 57.87 3a4j s TRP 302 Cb -0.20 -3.23 0.03 0.00 -1.50 0.00 0.00 33.47 28.57 3a4j s TRP 302 CO 0.55 -1.55 0.36 -0.51 -4.62 0.00 0.00 176.95 171.19 3a4j s LEU 303 N -5.26 0.61 -0.01 5.86 2.01 -1.25 -1.17 118.68 119.48 3a4j s LEU 303 Ca 0.62 -0.05 0.15 0.00 0.01 0.00 0.00 54.13 54.86 3a4j s LEU 303 Cb -0.09 1.56 -0.21 0.00 0.01 0.00 0.00 46.19 47.46 3a4j s LEU 303 CO 0.45 -0.62 0.48 0.49 1.01 0.00 0.00 176.35 178.16 3a4j n PHE 304 N 0.61 0.00 -3.86 0.29 3.72 0.03 -4.99 117.46 113.27 3a4j n PHE 304 Ca -0.19 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.11 3a4j n PHE 304 Cb 0.59 -0.19 -0.08 0.00 -0.94 0.00 0.00 39.48 38.85 3a4j n PHE 304 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3a4j s GLY 305 N -3.18 0.06 -0.34 1.37 0.00 -1.15 -4.87 107.32 99.22 3a4j s GLY 305 Ca -0.00 -0.38 0.05 0.00 0.00 0.00 0.00 44.72 44.39 3a4j s GLY 305 CO 0.64 -0.55 0.52 -0.12 0.00 0.00 0.00 173.10 173.58 3a4j s PHE 306 N -2.80 -1.32 -0.75 1.90 2.19 -1.26 -0.81 117.98 115.13 3a4j s PHE 306 Ca -0.03 0.30 0.21 0.00 0.33 0.00 0.00 56.93 57.74 3a4j s PHE 306 Cb 0.00 0.06 -0.24 0.00 -1.31 0.00 0.00 43.02 41.53 3a4j s PHE 306 CO -0.05 -1.07 0.81 -1.13 1.83 0.00 0.00 175.22 175.61 3a4j n SER 307 N 4.90 0.74 -0.89 6.13 3.41 0.27 -4.42 113.62 123.76 3a4j n SER 307 Ca 0.07 -0.73 0.02 0.00 -0.26 0.00 0.00 58.87 57.97 3a4j n SER 307 Cb 0.52 1.23 0.12 0.00 -0.26 0.00 0.00 64.21 65.82 3a4j n SER 307 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3a4j n SER 308 N -1.70 2.37 -0.13 4.04 3.41 -1.18 -4.82 113.62 115.60 3a4j n SER 308 Ca 0.02 -2.26 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 3a4j n SER 308 Cb 0.39 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 3a4j n SER 308 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a4j n TYR 309 N 0.19 -0.01 -1.77 7.33 9.36 -1.26 -5.09 117.16 125.92 3a4j n TYR 309 Ca 0.09 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.96 3a4j n TYR 309 Cb 0.51 0.00 0.06 0.00 -0.63 0.00 0.00 39.34 39.28 3a4j n TYR 309 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3a4j s VAL 310 N -1.26 2.68 0.53 2.97 -7.23 -1.26 -4.96 120.40 111.86 3a4j s VAL 310 Ca 0.00 0.37 -0.21 0.00 -1.81 0.00 0.00 61.98 60.33 3a4j s VAL 310 Cb 0.00 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 33.89 3a4j s VAL 310 CO 0.00 -0.15 1.23 -0.89 -0.31 0.00 0.00 175.10 174.98 3a4j s THR 311 N -1.90 2.67 0.00 5.32 2.01 -1.26 -2.33 115.64 120.14 3a4j s THR 311 Ca 0.74 0.47 0.00 0.00 0.31 0.00 0.00 61.69 63.21 3a4j s THR 311 Cb -0.27 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.02 3a4j s THR 311 CO 0.39 -0.04 0.00 0.59 -0.69 0.00 0.00 174.62 174.87 3a4j n ASN 312 N -1.04 -0.32 -0.07 3.53 5.03 -1.26 -4.90 115.26 116.23 3a4j n ASN 312 Ca 0.10 0.00 -0.07 0.00 0.87 0.00 0.00 54.58 55.48 3a4j n ASN 312 Cb 0.48 -1.57 -0.01 0.00 -1.02 0.00 0.00 39.78 37.66 3a4j n ASN 312 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 3a4j h ILE 313 N 0.00 0.77 -1.24 2.41 6.09 -1.79 -1.48 117.51 122.27 3a4j h ILE 313 Ca 0.00 -0.02 0.36 0.00 -1.37 0.00 0.00 64.86 63.83 3a4j h ILE 313 Cb 0.04 0.71 -0.07 0.00 0.47 0.00 0.00 36.82 37.97 3a4j h ILE 313 CO 0.00 0.01 0.86 -0.03 -3.07 0.00 0.00 178.15 175.92 3a4j h MET 314 N 0.05 0.10 -0.38 2.19 4.05 -1.84 -0.56 114.93 118.54 3a4j h MET 314 Ca 0.13 -0.01 -0.15 0.00 -0.28 0.00 0.00 59.70 59.40 3a4j h MET 314 Cb 0.19 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 3a4j h MET 314 CO -0.24 0.07 -0.35 -0.44 0.23 0.00 0.00 176.91 176.18 3a4j h ASP 315 N 0.11 0.94 -0.28 1.39 3.32 -1.67 -1.62 116.42 118.61 3a4j h ASP 315 Ca 0.64 -0.41 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3a4j h ASP 315 Cb 2.26 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 41.54 3a4j h ASP 315 CO -0.12 1.19 0.04 0.58 -1.72 0.00 0.00 179.24 179.20 3a4j h VAL 316 N 0.73 1.23 -0.58 -1.35 2.07 -1.27 -2.18 116.25 114.90 3a4j h VAL 316 Ca 0.07 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3a4j h VAL 316 Cb 0.92 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 3a4j h VAL 316 CO 0.09 0.26 0.37 0.24 0.02 0.00 0.00 177.57 178.55 3a4j h MET 317 N 0.27 0.78 0.00 1.57 2.86 -1.06 -1.63 114.93 117.73 3a4j h MET 317 Ca 0.08 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3a4j h MET 317 Cb 0.35 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3a4j h MET 317 CO 0.01 0.54 -0.24 -0.44 1.06 0.00 0.00 176.91 177.83 3a4j h ASP 318 N 0.79 0.00 -0.04 1.22 3.32 -0.99 -0.65 116.42 120.07 3a4j h ASP 318 Ca 0.21 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.05 3a4j h ASP 318 Cb -0.06 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.50 3a4j h ASP 318 CO -0.04 0.24 -0.78 0.03 -1.72 0.00 0.00 179.24 176.97 3a4j h ARG 319 N 0.00 0.70 -0.61 3.56 3.08 -0.91 -2.52 114.38 117.68 3a4j h ARG 319 Ca -0.00 -0.57 -0.08 0.00 0.07 0.00 0.00 59.98 59.39 3a4j h ARG 319 Cb 0.58 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 3a4j h ARG 319 CO 0.03 1.19 0.06 0.82 -1.07 0.00 0.00 179.97 181.00 3a4j h ILE 320 N 0.47 1.26 -2.11 2.04 1.08 -0.65 -3.39 117.51 116.21 3a4j h ILE 320 Ca -0.05 -1.05 -0.53 0.00 -0.39 0.00 0.00 64.86 62.83 3a4j h ILE 320 Cb 1.39 0.73 -0.36 0.00 -3.07 0.00 0.00 36.82 35.51 3a4j h ILE 320 CO 0.15 0.39 -0.95 -3.20 -0.69 0.00 0.00 178.15 173.85 3a4j n ASN 321 N -4.20 -0.71 0.30 1.72 5.15 -0.31 -4.96 115.26 112.24 3a4j n ASN 321 Ca 0.04 -2.50 0.18 0.00 -0.60 0.00 0.00 54.58 51.69 3a4j n ASN 321 Cb 0.31 -0.29 0.93 0.00 -0.53 0.00 0.00 39.78 40.19 3a4j n ASN 321 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3a4j h PRO 322 N 5.23 0.00 0.00 1.20 0.11 -1.65 -1.53 132.00 135.36 3a4j h PRO 322 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3a4j h PRO 322 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3a4j h PRO 322 CO 0.35 0.04 0.00 -0.25 -0.21 0.00 0.00 178.00 177.93 3a4j n ASP 323 N -3.31 0.00 0.00 -2.05 8.00 -1.26 -4.95 116.55 112.98 3a4j n ASP 323 Ca -0.02 0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.89 3a4j n ASP 323 Cb 0.18 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 3a4j n ASP 323 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a4j n GLY 324 N 0.88 3.29 0.08 0.44 0.00 -0.58 -0.90 105.19 108.41 3a4j n GLY 324 Ca 0.07 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.10 3a4j n GLY 324 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a4j n MET 325 N 14.00 1.11 0.00 1.61 2.81 -1.26 -2.35 117.12 133.03 3a4j n MET 325 Ca 0.00 -0.16 0.13 0.00 -1.81 0.00 0.00 57.70 55.86 3a4j n MET 325 Cb 0.00 -1.28 0.36 0.00 -0.71 0.00 0.00 33.22 31.59 3a4j n MET 325 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3a4j n ALA 326 N -0.60 2.61 -0.21 3.04 0.00 -0.07 -4.45 120.51 120.82 3a4j n ALA 326 Ca 0.13 -0.53 -0.09 0.00 0.00 0.00 0.00 53.44 52.95 3a4j n ALA 326 Cb 0.10 -1.03 0.03 0.00 0.00 0.00 0.00 19.45 18.54 3a4j n ALA 326 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3a4j h PHE 327 N 3.03 1.11 0.42 0.00 3.57 -1.54 -1.11 116.94 122.42 3a4j h PHE 327 Ca 0.00 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 3a4j h PHE 327 Cb 0.67 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3a4j h PHE 327 CO 0.00 0.97 -0.29 0.28 -2.23 0.00 0.00 178.31 177.03 3a4j h VAL 328 N 0.93 0.39 -0.02 1.41 2.07 -1.83 0.13 116.25 119.34 3a4j h VAL 328 Ca 0.18 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.59 3a4j h VAL 328 Cb 0.49 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3a4j h VAL 328 CO 0.02 0.00 -0.52 1.55 0.02 0.00 0.00 177.57 178.64 3a4j h PRO 329 N -0.69 0.04 0.14 1.57 0.13 -1.83 -0.53 132.00 130.84 3a4j h PRO 329 Ca -0.04 -0.02 -0.28 0.00 -0.87 0.00 0.00 66.00 64.78 3a4j h PRO 329 Cb 0.59 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.73 3a4j h PRO 329 CO 0.02 0.55 -1.26 -0.07 -0.23 0.00 0.00 178.00 177.01 3a4j h LEU 330 N 0.03 0.51 0.00 1.56 3.38 -1.03 -3.39 115.31 116.37 3a4j h LEU 330 Ca -0.00 -0.53 -0.09 0.00 0.09 0.00 0.00 57.88 57.35 3a4j h LEU 330 Cb 0.93 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3a4j h LEU 330 CO 0.07 1.41 -1.21 0.54 0.09 0.00 0.00 178.44 179.34 3a4j n ARG 331 N -3.58 0.12 -0.05 1.13 5.12 0.42 -4.63 116.66 115.20 3a4j n ARG 331 Ca -0.10 0.05 -0.14 0.00 -1.93 0.00 0.00 57.85 55.74 3a4j n ARG 331 Cb 1.03 -0.71 -0.08 0.00 -1.16 0.00 0.00 32.46 31.54 3a4j n ARG 331 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3a4j h VAL 332 N -0.21 1.37 -0.30 1.55 2.07 -1.08 -2.31 116.25 117.33 3a4j h VAL 332 Ca -0.13 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 3a4j h VAL 332 Cb 1.03 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 3a4j h VAL 332 CO -0.08 0.43 0.12 0.40 0.02 0.00 0.00 177.57 178.46 3a4j h ILE 333 N -0.03 1.18 -0.26 4.57 1.08 -1.34 -1.35 117.51 121.35 3a4j h ILE 333 Ca 0.01 -0.53 -0.09 0.00 -0.39 0.00 0.00 64.86 63.86 3a4j h ILE 333 Cb 0.78 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 35.49 3a4j h ILE 333 CO 0.05 0.18 -0.21 -0.65 -0.69 0.00 0.00 178.15 176.83 3a4j h PRO 334 N 0.34 0.48 -0.38 2.37 0.11 -1.76 -0.62 132.00 132.53 3a4j h PRO 334 Ca 0.10 -0.16 0.02 0.00 0.11 0.00 0.00 66.00 66.07 3a4j h PRO 334 Cb 0.17 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.22 3a4j h PRO 334 CO -0.01 0.66 0.22 0.35 -0.21 0.00 0.00 178.00 179.01 3a4j h PHE 335 N 0.43 0.40 -0.48 0.65 3.57 -1.03 0.32 116.94 120.80 3a4j h PHE 335 Ca 0.07 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.46 3a4j h PHE 335 Cb 0.61 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3a4j h PHE 335 CO 0.02 0.23 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.08 3a4j h LEU 336 N 0.44 1.00 -0.20 0.59 3.38 -0.74 -2.10 115.31 117.68 3a4j h LEU 336 Ca 0.16 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3a4j h LEU 336 Cb 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3a4j h LEU 336 CO -0.08 1.16 0.12 0.08 0.09 0.00 0.00 178.44 179.80 3a4j h ARG 337 N 0.83 0.24 -0.09 1.13 0.11 -0.86 -1.19 114.38 114.56 3a4j h ARG 337 Ca 0.11 -0.01 0.03 0.00 0.10 0.00 0.00 59.98 60.21 3a4j h ARG 337 Cb 0.76 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.78 3a4j h ARG 337 CO 0.06 0.16 0.15 0.93 0.10 0.00 0.00 179.97 181.37 3a4j h GLU 338 N 0.25 0.00 -0.17 0.08 5.08 -0.66 2.03 114.58 121.18 3a4j h GLU 338 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3a4j h GLU 338 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3a4j h GLU 338 CO -0.03 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.61 3a4j n LYS 339 N -3.48 1.57 -0.25 2.33 4.76 -0.72 -4.91 118.16 117.45 3a4j n LYS 339 Ca -0.01 -0.87 0.00 0.00 -2.87 0.00 0.00 58.31 54.56 3a4j n LYS 339 Cb 0.25 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 3a4j n LYS 339 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3a4j n GLY 340 N 1.01 0.87 3.71 0.72 0.00 0.69 -5.06 105.19 107.13 3a4j n GLY 340 Ca 0.13 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3a4j n GLY 340 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a4j s VAL 341 N -2.00 3.86 0.62 1.61 1.01 -0.53 -4.96 120.40 120.01 3a4j s VAL 341 Ca 0.00 1.34 -0.18 0.00 0.00 0.00 0.00 61.98 63.14 3a4j s VAL 341 Cb 0.00 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3a4j s VAL 341 CO 0.00 0.11 1.20 -2.84 0.00 0.00 0.00 175.10 173.57 3a4j s PRO 342 N 1.02 2.82 0.38 2.72 0.02 -1.26 -4.32 135.00 136.38 3a4j s PRO 342 Ca 0.60 1.78 0.08 0.00 0.02 0.00 0.00 61.00 63.48 3a4j s PRO 342 Cb -0.31 -1.91 0.82 0.00 0.02 0.00 0.00 34.50 33.11 3a4j s PRO 342 CO 0.30 -1.32 1.98 -1.35 -0.33 0.00 0.00 177.00 176.28 3a4j h PRO 343 N 0.62 0.63 -0.49 5.54 0.11 -1.98 -0.96 132.00 135.47 3a4j h PRO 343 Ca -0.50 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.50 3a4j h PRO 343 Cb 1.29 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3a4j h PRO 343 CO 0.54 0.42 -0.01 1.49 -0.21 0.00 0.00 178.00 180.23 3a4j h GLU 344 N 0.65 0.82 -0.33 1.05 4.81 -1.99 -0.50 114.58 119.09 3a4j h GLU 344 Ca 0.27 -0.23 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 3a4j h GLU 344 Cb 0.25 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3a4j h GLU 344 CO -0.08 0.82 -0.44 1.15 -0.73 0.00 0.00 179.01 179.73 3a4j h THR 345 N 0.76 1.28 -0.39 0.32 2.02 -1.55 -1.30 112.91 114.05 3a4j h THR 345 Ca 0.15 -1.62 -0.12 0.00 0.77 0.00 0.00 66.41 65.59 3a4j h THR 345 Cb 0.47 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 3a4j h THR 345 CO 0.02 0.53 -0.24 -0.07 0.37 0.00 0.00 175.52 176.13 3a4j h LEU 346 N 0.68 0.80 -0.88 2.58 3.38 -0.93 -1.03 115.31 119.91 3a4j h LEU 346 Ca 0.04 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3a4j h LEU 346 Cb 1.02 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 3a4j h LEU 346 CO 0.10 1.01 0.34 0.00 0.09 0.00 0.00 178.44 179.98 3a4j h ALA 347 N 1.05 1.11 -0.74 1.53 0.00 -1.03 -1.61 119.26 119.57 3a4j h ALA 347 Ca 0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3a4j h ALA 347 Cb 0.76 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3a4j h ALA 347 CO 0.06 0.65 0.28 0.78 0.00 0.00 0.00 179.25 181.01 3a4j h GLY 348 N 1.16 1.20 0.95 0.00 0.00 -0.53 0.72 103.07 106.56 3a4j h GLY 348 Ca 0.27 -0.66 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 3a4j h GLY 348 CO -0.03 0.62 -0.20 -2.08 0.00 0.00 0.00 176.54 174.85 3a4j h VAL 349 N 1.08 1.29 0.00 4.60 2.07 -0.86 0.67 116.25 125.10 3a4j h VAL 349 Ca 0.25 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3a4j h VAL 349 Cb 0.23 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3a4j h VAL 349 CO -0.02 0.43 -0.80 0.71 0.02 0.00 0.00 177.57 177.91 3a4j h THR 350 N 0.44 0.00 0.00 2.57 1.35 -1.14 -3.38 112.91 112.75 3a4j h THR 350 Ca 0.06 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3a4j h THR 350 Cb 0.74 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3a4j h THR 350 CO 0.06 0.00 -0.15 0.52 -0.25 0.00 0.00 175.52 175.69 3a4j n VAL 351 N -2.28 0.92 -0.07 6.82 0.31 0.23 -1.66 118.33 122.60 3a4j n VAL 351 Ca 0.02 0.30 -0.12 0.00 -0.01 0.00 0.00 64.34 64.54 3a4j n VAL 351 Cb 0.48 -1.46 -0.05 0.00 -0.91 0.00 0.00 33.84 31.89 3a4j n VAL 351 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a4j h ALA 352 N 0.00 0.28 -0.28 3.52 0.00 -1.35 -2.17 119.26 119.26 3a4j h ALA 352 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3a4j h ALA 352 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3a4j h ALA 352 CO 0.00 0.02 0.06 -0.91 0.00 0.00 0.00 179.25 178.42 3a4j h ASN 353 N 0.12 0.43 -0.94 0.00 2.35 -1.04 -1.07 115.58 115.43 3a4j h ASN 353 Ca 0.06 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.59 3a4j h ASN 353 Cb 0.43 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.64 3a4j h ASN 353 CO 0.01 0.56 0.62 -0.65 -1.65 0.00 0.00 177.43 176.32 3a4j h PRO 354 N 0.29 1.19 -0.46 0.81 0.11 -1.74 -1.04 132.00 131.16 3a4j h PRO 354 Ca 0.09 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 3a4j h PRO 354 Cb 0.30 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 3a4j h PRO 354 CO 0.00 0.79 0.16 0.00 -0.21 0.00 0.00 178.00 178.74 3a4j h ALA 355 N 1.43 0.60 -0.83 -0.75 0.00 -0.99 0.44 119.26 119.16 3a4j h ALA 355 Ca 0.36 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3a4j h ALA 355 Cb -0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3a4j h ALA 355 CO -0.10 0.23 0.51 -0.09 0.00 0.00 0.00 179.25 179.81 3a4j h ARG 356 N 0.60 1.12 -0.16 0.00 2.43 -0.96 -1.30 114.38 116.11 3a4j h ARG 356 Ca 0.15 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 3a4j h ARG 356 Cb 0.24 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3a4j h ARG 356 CO -0.01 0.78 -0.08 0.35 -1.51 0.00 0.00 179.97 179.50 3a4j h PHE 357 N 1.14 0.40 -0.00 2.20 3.57 -0.83 -3.29 116.94 120.13 3a4j h PHE 357 Ca 0.30 -0.10 -0.17 0.00 3.53 0.00 0.00 57.97 61.53 3a4j h PHE 357 Cb -0.06 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3a4j h PHE 357 CO -0.01 0.66 -0.79 -0.07 -2.23 0.00 0.00 178.31 175.87 3a4j h LEU 358 N 0.02 0.04 -9.52 0.59 3.38 -0.87 -3.40 115.31 105.55 3a4j h LEU 358 Ca 0.04 -0.03 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3a4j h LEU 358 Cb 0.56 -0.01 0.04 0.00 0.09 0.00 0.00 40.66 41.34 3a4j h LEU 358 CO 0.02 0.82 1.09 -0.24 0.09 0.00 0.00 178.44 180.22 3a4j n SER 359 N -3.62 4.01 -4.73 -0.43 2.88 -0.49 -4.76 113.62 106.47 3a4j n SER 359 Ca -0.01 1.00 -0.42 0.00 -1.33 0.00 0.00 58.87 58.11 3a4j n SER 359 Cb 0.76 -1.54 -0.03 0.00 -0.75 0.00 0.00 64.21 62.65 3a4j n SER 359 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3a4j s PRO 360 N 2.53 4.27 0.00 -1.46 0.02 -1.26 -4.92 135.00 134.17 3a4j s PRO 360 Ca 0.81 2.25 0.00 0.00 0.02 0.00 0.00 61.00 64.08 3a4j s PRO 360 Cb -0.49 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 30.87 3a4j s PRO 360 CO 0.37 -0.47 0.00 2.41 -0.33 0.00 0.00 177.00 178.98