#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rj1 s MET 63 N 0.00 2.97 0.97 -4.13 1.75 -1.26 -5.02 119.30 114.58 2rj1 s MET 63 Ca 0.00 -0.82 -0.12 0.00 -1.25 0.00 0.00 55.69 53.49 2rj1 s MET 63 Cb 0.00 -2.55 0.17 0.00 2.84 0.00 0.00 34.83 35.29 2rj1 s MET 63 CO 0.00 -0.20 1.11 0.14 -0.65 0.00 0.00 175.02 175.41 2rj1 s VAL 64 N 1.28 2.06 0.50 10.11 -7.23 -1.26 -4.99 120.40 120.86 2rj1 s VAL 64 Ca 0.05 0.02 -0.22 0.00 -1.81 0.00 0.00 61.98 60.01 2rj1 s VAL 64 Cb -0.13 -2.60 -0.06 0.00 0.56 0.00 0.00 36.38 34.15 2rj1 s VAL 64 CO -0.13 -0.02 1.26 -0.44 -0.31 0.00 0.00 175.10 175.46 2rj1 s SER 65 N -3.65 5.71 0.59 4.85 0.01 -1.26 -5.02 113.70 114.94 2rj1 s SER 65 Ca 0.65 2.53 -0.19 0.00 1.31 0.00 0.00 55.95 60.25 2rj1 s SER 65 Cb -0.17 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.40 2rj1 s SER 65 CO 0.56 -1.25 1.22 -0.76 0.41 0.00 0.00 173.24 173.42 2rj1 s LEU 66 N -3.29 3.69 0.82 2.44 1.43 -1.26 -5.04 118.68 117.47 2rj1 s LEU 66 Ca 0.68 2.42 -0.12 0.00 -1.03 0.00 0.00 54.13 56.07 2rj1 s LEU 66 Cb -0.34 -4.57 0.09 0.00 0.03 0.00 0.00 46.19 41.39 2rj1 s LEU 66 CO 0.41 -1.58 1.12 -2.16 0.23 0.00 0.00 176.35 174.37 2rj1 s PRO 67 N -3.28 1.87 0.19 1.29 0.04 -1.26 -4.98 135.00 128.86 2rj1 s PRO 67 Ca 0.77 0.45 -0.32 0.00 0.04 0.00 0.00 61.00 61.93 2rj1 s PRO 67 Cb -0.31 -1.91 -0.15 0.00 0.04 0.00 0.00 34.50 32.17 2rj1 s PRO 67 CO 0.34 -1.73 1.29 -2.13 0.04 0.00 0.00 177.00 174.81 2rj1 n ARG 68 N -3.47 1.55 -3.96 4.56 0.63 -1.26 -5.00 116.66 109.70 2rj1 n ARG 68 Ca 0.07 0.55 -0.13 0.00 -0.92 0.00 0.00 57.85 57.42 2rj1 n ARG 68 Cb 0.58 -2.13 -0.14 0.00 0.45 0.00 0.00 32.46 31.21 2rj1 n ARG 68 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 2rj1 s MET 69 N -0.28 0.13 -0.24 -0.14 -1.94 -1.26 -5.14 119.30 110.44 2rj1 s MET 69 Ca 0.72 -0.05 -0.07 0.00 -1.71 0.00 0.00 55.69 54.58 2rj1 s MET 69 Cb -0.77 -0.14 -0.03 0.00 2.01 0.00 0.00 34.83 35.90 2rj1 s MET 69 CO 0.50 0.03 0.06 0.08 -0.01 0.00 0.00 175.02 175.67 2rj1 s VAL 70 N 0.01 4.22 0.17 -6.03 1.01 -1.26 -5.08 120.40 113.44 2rj1 s VAL 70 Ca 0.00 -0.20 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 2rj1 s VAL 70 Cb -0.01 -2.96 0.04 0.00 0.00 0.00 0.00 36.38 33.44 2rj1 s VAL 70 CO -0.00 0.35 0.52 -0.72 0.00 0.00 0.00 175.10 175.26 2rj1 s TYR 71 N 1.53 -0.25 0.31 5.22 -0.85 -1.26 -5.14 117.35 116.92 2rj1 s TYR 71 Ca 0.06 -0.06 -0.29 0.00 -0.52 0.00 0.00 57.07 56.25 2rj1 s TYR 71 Cb -0.15 0.42 -0.11 0.00 0.38 0.00 0.00 41.96 42.50 2rj1 s TYR 71 CO 0.03 -0.86 1.54 -2.14 -1.52 0.00 0.00 175.55 172.60 2rj1 s PRO 72 N -3.83 4.14 0.20 -3.49 0.02 -1.26 -4.93 135.00 125.85 2rj1 s PRO 72 Ca 0.06 2.54 -0.31 0.00 0.02 0.00 0.00 61.00 63.30 2rj1 s PRO 72 Cb -0.01 -3.02 -0.10 0.00 0.02 0.00 0.00 34.50 31.39 2rj1 s PRO 72 CO -0.07 -0.57 1.52 -1.14 -0.33 0.00 0.00 177.00 176.40 2rj1 s GLN 73 N -0.94 4.23 0.33 5.54 0.74 -1.26 -4.97 119.66 123.33 2rj1 s GLN 73 Ca 0.60 2.34 -0.29 0.00 0.05 0.00 0.00 55.36 58.06 2rj1 s GLN 73 Cb -0.47 -3.14 -0.10 0.00 1.10 0.00 0.00 33.01 30.40 2rj1 s GLN 73 CO 0.52 -0.54 1.36 -1.25 -0.55 0.00 0.00 175.29 174.83 2rj1 s PRO 74 N 0.53 4.29 -0.28 1.67 0.04 -1.26 -4.99 135.00 135.01 2rj1 s PRO 74 Ca 0.66 2.30 -0.06 0.00 0.04 0.00 0.00 61.00 63.93 2rj1 s PRO 74 Cb -0.43 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.06 2rj1 s PRO 74 CO 0.36 -0.29 0.06 0.15 0.04 0.00 0.00 177.00 177.32 2rj1 s LYS 75 N -1.66 3.22 0.38 4.56 -0.14 -1.26 -4.99 119.74 119.86 2rj1 s LYS 75 Ca 0.51 -0.76 0.08 0.00 -1.36 0.00 0.00 55.97 54.44 2rj1 s LYS 75 Cb -0.41 -3.32 0.82 0.00 -1.68 0.00 0.00 37.83 33.24 2rj1 s LYS 75 CO 0.54 -0.37 1.96 0.28 -0.76 0.00 0.00 175.35 176.99 2rj1 h VAL 76 N 5.79 0.97 -0.51 3.17 2.07 -2.02 -1.74 116.25 123.99 2rj1 h VAL 76 Ca -0.34 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2rj1 h VAL 76 Cb 1.14 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2rj1 h VAL 76 CO 0.60 0.12 0.00 0.18 0.02 0.00 0.00 177.57 178.49 2rj1 n LEU 77 N -4.49 4.99 -3.60 2.57 4.77 -1.26 -4.69 117.00 115.30 2rj1 n LEU 77 Ca 0.11 -2.53 -0.28 0.00 -0.03 0.00 0.00 56.01 53.28 2rj1 n LEU 77 Cb 0.29 -0.65 -0.16 0.00 -2.33 0.00 0.00 43.42 40.57 2rj1 n LEU 77 CO 0.33 0.60 -0.33 -0.89 -1.33 0.00 0.00 177.39 175.77 2rj1 s THR 78 N -2.43 0.08 0.59 -5.08 2.01 -0.65 -5.15 115.64 105.01 2rj1 s THR 78 Ca 0.47 -0.67 -0.20 0.00 0.31 0.00 0.00 61.69 61.60 2rj1 s THR 78 Cb 0.35 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 2rj1 s THR 78 CO 0.15 -0.57 1.31 -2.65 -0.69 0.00 0.00 174.62 172.17 2rj1 n PRO 79 N 5.19 1.44 -0.00 4.92 -0.02 -1.26 -4.58 135.00 140.69 2rj1 n PRO 79 Ca -0.06 0.54 -0.07 0.00 -2.02 0.00 0.00 63.50 61.89 2rj1 n PRO 79 Cb 0.44 -2.54 0.11 0.00 -0.02 0.00 0.00 33.50 31.50 2rj1 n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rj1 s ARG 81 N -4.23 0.14 0.00 0.00 1.81 -1.26 -4.87 118.95 110.54 2rj1 s ARG 81 Ca -0.07 0.50 0.12 0.00 -1.72 0.00 0.00 55.73 54.56 2rj1 s ARG 81 Cb 0.12 -0.15 -0.13 0.00 -0.45 0.00 0.00 34.95 34.35 2rj1 s ARG 81 CO 0.82 -0.19 0.54 1.63 -0.68 0.00 0.00 175.30 177.42 2rj1 n LYS 82 N 4.48 2.85 0.00 3.54 5.02 -1.26 -4.53 118.16 128.25 2rj1 n LYS 82 Ca -0.21 -0.04 0.12 0.00 -2.02 0.00 0.00 58.31 56.15 2rj1 n LYS 82 Cb 0.52 -1.09 0.16 0.00 -0.02 0.00 0.00 35.03 34.60 2rj1 n LYS 82 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2rj1 n ASP 83 N -1.22 0.61 -4.01 4.39 5.75 -1.26 -4.95 116.55 115.86 2rj1 n ASP 83 Ca 0.03 -0.37 -0.08 0.00 -0.01 0.00 0.00 54.79 54.35 2rj1 n ASP 83 Cb 0.20 0.43 -0.10 0.00 -1.03 0.00 0.00 41.12 40.61 2rj1 n ASP 83 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 2rj1 s VAL 84 N -3.02 0.15 -0.07 2.12 -7.23 -1.26 -5.11 120.40 105.98 2rj1 s VAL 84 Ca 0.10 -1.26 -0.30 0.00 -1.81 0.00 0.00 61.98 58.71 2rj1 s VAL 84 Cb 0.17 -0.80 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 2rj1 s VAL 84 CO 0.74 -0.70 1.40 -0.22 -0.31 0.00 0.00 175.10 176.01 2rj1 s LEU 85 N -2.07 4.27 0.00 1.32 2.96 -1.26 -4.92 118.68 118.98 2rj1 s LEU 85 Ca -0.06 1.98 0.12 0.00 -0.22 0.00 0.00 54.13 55.95 2rj1 s LEU 85 Cb -0.02 -3.55 0.12 0.00 0.50 0.00 0.00 46.19 43.24 2rj1 s LEU 85 CO -0.05 -0.77 0.91 1.33 -1.32 0.00 0.00 176.35 176.46 2rj1 n VAL 86 N 5.06 0.11 -3.73 1.68 0.24 -1.26 -4.76 118.33 115.66 2rj1 n VAL 86 Ca 0.14 -0.55 -0.12 0.00 -2.04 0.00 0.00 64.34 61.76 2rj1 n VAL 86 Cb 0.44 1.16 -0.11 0.00 -1.47 0.00 0.00 33.84 33.86 2rj1 n VAL 86 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2rj1 s VAL 87 N -0.97 -0.01 0.78 3.34 0.11 -1.26 -0.87 120.40 121.52 2rj1 s VAL 87 Ca 0.15 0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 59.13 2rj1 s VAL 87 Cb 0.10 -0.51 0.06 0.00 -1.53 0.00 0.00 36.38 34.50 2rj1 s VAL 87 CO 0.15 0.02 1.11 0.42 -3.33 0.00 0.00 175.10 173.46 2rj1 s THR 88 N 0.66 3.00 -0.74 5.04 -4.23 0.69 -4.89 115.64 115.17 2rj1 s THR 88 Ca -0.04 0.33 0.10 0.00 -1.18 0.00 0.00 61.69 60.90 2rj1 s THR 88 Cb -0.05 -3.16 0.10 0.00 1.34 0.00 0.00 72.50 70.73 2rj1 s THR 88 CO -0.04 -0.43 1.32 -2.65 -0.54 0.00 0.00 174.62 172.28 2rj1 n PRO 89 N -3.34 0.06 -0.67 3.99 -0.02 -1.26 -0.64 135.00 133.11 2rj1 n PRO 89 Ca 0.07 0.49 0.08 0.00 -2.02 0.00 0.00 63.50 62.12 2rj1 n PRO 89 Cb 0.57 -1.66 0.34 0.00 -0.02 0.00 0.00 33.50 32.73 2rj1 n PRO 89 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2rj1 n TRP 90 N -1.77 1.53 -2.33 6.00 2.14 -1.26 -4.96 117.44 116.79 2rj1 n TRP 90 Ca 0.00 -0.75 -0.11 0.00 2.07 0.00 0.00 57.50 58.71 2rj1 n TRP 90 Cb 0.06 -0.38 0.00 0.00 -0.81 0.00 0.00 31.31 30.18 2rj1 n TRP 90 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 2rj1 n LEU 91 N 0.34 -1.68 -4.70 5.67 4.77 0.19 -5.02 117.00 116.57 2rj1 n LEU 91 Ca 0.25 -0.05 -0.38 0.00 -0.03 0.00 0.00 56.01 55.80 2rj1 n LEU 91 Cb 1.01 -1.81 -0.07 0.00 -2.33 0.00 0.00 43.42 40.22 2rj1 n LEU 91 CO 0.24 -0.05 0.08 0.00 -1.33 0.00 0.00 177.39 176.33 2rj1 s ALA 92 N -2.64 3.55 0.52 -1.18 0.00 -1.26 -4.85 121.76 115.90 2rj1 s ALA 92 Ca 0.04 -0.44 -0.23 0.00 0.00 0.00 0.00 51.96 51.33 2rj1 s ALA 92 Cb -0.02 -2.56 -0.06 0.00 0.00 0.00 0.00 23.12 20.48 2rj1 s ALA 92 CO 0.05 -0.13 1.36 -2.30 0.00 0.00 0.00 175.76 174.75 2rj1 n PRO 93 N 4.06 1.83 -3.87 0.00 -0.02 -1.26 -0.22 135.00 135.53 2rj1 n PRO 93 Ca -0.09 0.67 -0.36 0.00 -2.02 0.00 0.00 63.50 61.70 2rj1 n PRO 93 Cb 0.51 -2.57 -0.13 0.00 -0.02 0.00 0.00 33.50 31.30 2rj1 n PRO 93 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2rj1 s ILE 94 N -1.26 4.06 -0.41 4.25 1.01 -0.05 -1.24 121.20 127.57 2rj1 s ILE 94 Ca 0.68 -0.26 -0.22 0.00 0.00 0.00 0.00 60.65 60.85 2rj1 s ILE 94 Cb -0.43 -2.87 0.02 0.00 0.01 0.00 0.00 42.46 39.18 2rj1 s ILE 94 CO 0.52 0.38 0.73 -0.69 0.00 0.00 0.00 174.94 175.87 2rj1 s VAL 95 N 1.41 4.75 0.14 2.92 1.01 0.31 -4.71 120.40 126.23 2rj1 s VAL 95 Ca 0.05 0.52 0.09 0.00 0.00 0.00 0.00 61.98 62.63 2rj1 s VAL 95 Cb -0.15 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 2rj1 s VAL 95 CO 0.02 -0.54 -0.20 0.26 0.00 0.00 0.00 175.10 174.64 2rj1 s TRP 96 N 3.03 1.86 0.20 5.22 0.52 -1.26 -2.00 118.94 126.51 2rj1 s TRP 96 Ca 0.28 -0.43 -0.32 0.00 0.02 0.00 0.00 56.10 55.64 2rj1 s TRP 96 Cb -0.13 -0.97 -0.13 0.00 -1.15 0.00 0.00 33.47 31.08 2rj1 s TRP 96 CO 0.19 0.28 1.53 -1.91 0.02 0.00 0.00 176.95 177.07 2rj1 n GLU 97 N 0.68 2.21 0.00 4.98 4.07 -1.26 -1.96 120.64 129.37 2rj1 n GLU 97 Ca -0.16 0.79 0.00 0.00 -0.06 0.00 0.00 57.16 57.73 2rj1 n GLU 97 Cb 0.55 -2.53 0.00 0.00 -0.06 0.00 0.00 31.44 29.40 2rj1 n GLU 97 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2rj1 n GLY 98 N 2.91 1.65 0.06 8.31 0.00 -1.26 -4.93 105.19 111.93 2rj1 n GLY 98 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 2rj1 n GLY 98 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rj1 n THR 99 N -1.60 0.32 -4.23 2.61 -2.24 -0.83 -4.80 114.28 103.51 2rj1 n THR 99 Ca 0.00 -0.26 -0.17 0.00 -2.27 0.00 0.00 64.05 61.34 2rj1 n THR 99 Cb 0.00 -0.08 -0.13 0.00 -2.10 0.00 0.00 70.33 68.02 2rj1 n THR 99 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2rj1 s PHE 100 N -3.17 0.92 -0.46 4.78 -0.12 -1.26 -5.04 117.98 113.63 2rj1 s PHE 100 Ca 0.06 -0.34 -0.17 0.00 -0.05 0.00 0.00 56.93 56.42 2rj1 s PHE 100 Cb 0.14 -0.55 0.05 0.00 -0.63 0.00 0.00 43.02 42.02 2rj1 s PHE 100 CO 0.73 -0.01 0.49 1.21 -0.05 0.00 0.00 175.22 177.59 2rj1 s ASN 101 N -1.06 6.19 0.49 1.98 3.04 -1.26 -4.96 114.94 119.36 2rj1 s ASN 101 Ca -0.02 -0.93 0.25 0.00 0.04 0.00 0.00 52.86 52.21 2rj1 s ASN 101 Cb -0.07 -2.24 1.24 0.00 -1.54 0.00 0.00 41.25 38.64 2rj1 s ASN 101 CO 0.01 -0.70 1.98 -0.29 -3.04 0.00 0.00 177.10 175.06 2rj1 h ILE 102 N 5.78 0.61 -0.39 -5.21 6.09 -1.99 -2.70 117.51 119.71 2rj1 h ILE 102 Ca -0.27 -0.77 -0.03 0.00 -1.37 0.00 0.00 64.86 62.42 2rj1 h ILE 102 Cb 1.11 1.50 -0.02 0.00 0.47 0.00 0.00 36.82 39.87 2rj1 h ILE 102 CO 0.87 0.17 0.12 0.44 -3.07 0.00 0.00 178.15 176.68 2rj1 h ASP 103 N 0.00 0.56 -0.17 2.19 3.45 -1.99 0.25 116.42 120.72 2rj1 h ASP 103 Ca -0.00 -0.20 -0.01 0.00 0.43 0.00 0.00 57.03 57.24 2rj1 h ASP 103 Cb 0.48 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.10 2rj1 h ASP 103 CO 0.02 0.62 0.06 0.40 -1.57 0.00 0.00 179.24 178.77 2rj1 h ILE 104 N 0.48 1.17 -0.55 0.35 2.04 -1.93 -2.26 117.51 116.81 2rj1 h ILE 104 Ca 0.12 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 2rj1 h ILE 104 Cb 0.26 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2rj1 h ILE 104 CO -0.00 0.16 0.21 -0.07 0.00 0.00 0.00 178.15 178.45 2rj1 h LEU 105 N 0.10 0.76 -0.62 1.44 3.38 -1.40 -1.48 115.31 117.50 2rj1 h LEU 105 Ca 0.06 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 57.92 2rj1 h LEU 105 Cb 0.20 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 2rj1 h LEU 105 CO -0.00 0.73 0.31 0.78 0.09 0.00 0.00 178.44 180.35 2rj1 h ASN 106 N 0.75 0.42 0.11 -0.43 2.35 -0.45 -1.14 115.58 117.19 2rj1 h ASN 106 Ca 0.18 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.99 2rj1 h ASN 106 Cb 0.21 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 2rj1 h ASN 106 CO -0.01 0.27 -0.16 -0.33 -1.65 0.00 0.00 177.43 175.54 2rj1 h GLU 107 N 0.56 -0.31 -0.50 0.81 4.39 -1.12 0.10 114.58 118.52 2rj1 h GLU 107 Ca 0.29 0.02 0.05 0.00 0.34 0.00 0.00 59.36 60.07 2rj1 h GLU 107 Cb 0.25 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.92 2rj1 h GLU 107 CO -0.22 -0.21 0.22 1.96 -1.16 0.00 0.00 179.01 179.60 2rj1 h GLN 108 N -0.32 0.41 0.09 2.33 4.20 -0.70 -1.27 115.11 119.86 2rj1 h GLN 108 Ca 0.02 -0.02 -0.26 0.00 0.06 0.00 0.00 58.65 58.44 2rj1 h GLN 108 Cb 0.33 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.03 2rj1 h GLN 108 CO -0.08 0.27 -1.16 0.74 -0.67 0.00 0.00 178.83 177.94 2rj1 h PHE 109 N 0.43 0.60 -0.80 2.96 -1.00 -1.11 -3.18 116.94 114.85 2rj1 h PHE 109 Ca 0.23 -0.39 -0.02 0.00 2.81 0.00 0.00 57.97 60.59 2rj1 h PHE 109 Cb 0.19 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 39.67 2rj1 h PHE 109 CO -0.13 1.27 0.40 0.00 -1.61 0.00 0.00 178.31 178.24 2rj1 h ARG 110 N 0.14 1.13 0.00 1.51 2.47 -0.69 -2.30 114.38 116.64 2rj1 h ARG 110 Ca -0.13 -0.15 -0.00 0.00 -1.26 0.00 0.00 59.98 58.44 2rj1 h ARG 110 Cb 1.85 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 29.95 2rj1 h ARG 110 CO 0.20 0.85 -0.00 -0.07 0.56 0.00 0.00 179.97 181.51 2rj1 h LEU 111 N 1.12 0.00 -1.76 3.04 3.38 -1.21 0.14 115.31 120.03 2rj1 h LEU 111 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2rj1 h LEU 111 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2rj1 h LEU 111 CO -0.04 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.49 2rj1 n GLN 112 N -3.10 2.18 -3.94 1.13 1.13 -0.89 -4.86 117.38 109.02 2rj1 n GLN 112 Ca -0.02 -1.75 -0.33 0.00 -1.94 0.00 0.00 57.00 52.97 2rj1 n GLN 112 Cb 0.12 -1.47 -0.00 0.00 0.11 0.00 0.00 30.24 29.00 2rj1 n GLN 112 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2rj1 n ASN 113 N 1.03 -2.57 -4.72 1.08 4.05 0.49 -4.87 115.26 109.75 2rj1 n ASN 113 Ca 0.17 -1.11 -0.42 0.00 0.45 0.00 0.00 54.58 53.67 2rj1 n ASN 113 Cb 0.52 -2.68 -0.03 0.00 1.23 0.00 0.00 39.78 38.81 2rj1 n ASN 113 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2rj1 s THR 114 N -3.76 3.29 -0.16 -0.44 2.01 -1.07 -4.98 115.64 110.53 2rj1 s THR 114 Ca 0.26 0.95 -0.03 0.00 0.31 0.00 0.00 61.69 63.18 2rj1 s THR 114 Cb -0.11 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 2rj1 s THR 114 CO 0.91 0.09 -0.05 -0.89 -0.69 0.00 0.00 174.62 174.00 2rj1 s THR 115 N 0.88 3.76 -0.19 -0.82 2.01 -1.26 -3.31 115.64 116.72 2rj1 s THR 115 Ca 0.63 -0.40 -0.04 0.00 0.31 0.00 0.00 61.69 62.19 2rj1 s THR 115 Cb -0.37 -2.65 -0.02 0.00 0.01 0.00 0.00 72.50 69.47 2rj1 s THR 115 CO 0.32 0.49 -0.03 -0.63 -0.69 0.00 0.00 174.62 174.08 2rj1 s ILE 116 N 0.48 3.78 0.03 1.82 1.09 0.06 -0.69 121.20 127.77 2rj1 s ILE 116 Ca -0.04 -0.38 -0.16 0.00 -1.10 0.00 0.00 60.65 58.97 2rj1 s ILE 116 Cb -0.14 -2.69 -0.06 0.00 -1.06 0.00 0.00 42.46 38.51 2rj1 s ILE 116 CO 0.03 0.45 0.45 -0.83 -0.10 0.00 0.00 174.94 174.95 2rj1 s GLY 117 N 0.85 2.52 -0.17 6.18 0.00 0.53 -1.05 107.32 116.17 2rj1 s GLY 117 Ca -0.00 -0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.56 2rj1 s GLY 117 CO 0.02 0.21 -0.11 -2.27 0.00 0.00 0.00 173.10 170.94 2rj1 s LEU 118 N -1.17 1.98 -0.04 0.66 2.96 -0.17 -0.38 118.68 122.52 2rj1 s LEU 118 Ca 0.26 -0.70 -0.13 0.00 -0.22 0.00 0.00 54.13 53.34 2rj1 s LEU 118 Cb -0.17 -1.18 -0.05 0.00 0.50 0.00 0.00 46.19 45.28 2rj1 s LEU 118 CO 0.15 -0.11 0.34 0.42 -1.32 0.00 0.00 176.35 175.83 2rj1 s THR 119 N 1.45 5.16 -0.16 3.68 -4.23 0.02 -0.44 115.64 121.12 2rj1 s THR 119 Ca 0.02 0.68 -0.11 0.00 -1.18 0.00 0.00 61.69 61.09 2rj1 s THR 119 Cb -0.15 -3.63 0.05 0.00 1.34 0.00 0.00 72.50 70.11 2rj1 s THR 119 CO -0.09 0.58 0.39 0.54 -0.54 0.00 0.00 174.62 175.50 2rj1 s VAL 120 N -0.99 -0.01 -0.17 2.29 0.11 -0.71 -2.22 120.40 118.69 2rj1 s VAL 120 Ca 0.21 0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 59.25 2rj1 s VAL 120 Cb -0.15 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 2rj1 s VAL 120 CO 0.11 0.02 0.04 -0.36 -3.33 0.00 0.00 175.10 171.58 2rj1 s PHE 121 N 0.84 3.21 -0.46 1.54 0.40 -1.26 -1.29 117.98 120.96 2rj1 s PHE 121 Ca -0.05 0.01 0.03 0.00 -0.60 0.00 0.00 56.93 56.32 2rj1 s PHE 121 Cb -0.06 -2.04 0.15 0.00 0.51 0.00 0.00 43.02 41.58 2rj1 s PHE 121 CO -0.06 0.14 0.30 0.00 0.70 0.00 0.00 175.22 176.30 2rj1 s ALA 122 N 0.28 1.98 -0.12 5.36 0.00 0.69 -4.42 121.76 125.54 2rj1 s ALA 122 Ca 0.02 -2.62 -0.02 0.00 0.00 0.00 0.00 51.96 49.34 2rj1 s ALA 122 Cb -0.13 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 2rj1 s ALA 122 CO 0.01 -2.05 -0.03 0.42 0.00 0.00 0.00 175.76 174.11 2rj1 s ILE 123 N 0.11 4.01 0.00 0.00 -1.09 -1.26 -3.97 121.20 118.99 2rj1 s ILE 123 Ca 0.23 -0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 2rj1 s ILE 123 Cb -0.13 -2.71 0.00 0.00 -1.58 0.00 0.00 42.46 38.04 2rj1 s ILE 123 CO -0.08 0.55 0.00 0.29 -1.23 0.00 0.00 174.94 174.47 2rj1 n LYS 124 N 2.81 0.00 0.27 2.79 5.02 -1.26 -2.08 118.16 125.71 2rj1 n LYS 124 Ca -0.18 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.29 2rj1 n LYS 124 Cb 0.53 0.00 0.82 0.00 -0.02 0.00 0.00 35.03 36.36 2rj1 n LYS 124 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2rj1 h LYS 125 N 0.00 0.00 0.00 1.97 1.57 -1.94 -2.93 116.57 115.24 2rj1 h LYS 125 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2rj1 h LYS 125 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2rj1 h LYS 125 CO 0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 2rj1 n TYR 126 N -2.92 0.00 0.31 -1.35 0.53 -0.88 -1.96 117.16 110.89 2rj1 n TYR 126 Ca -0.00 0.00 0.17 0.00 -1.02 0.00 0.00 57.90 57.04 2rj1 n TYR 126 Cb 0.21 -0.28 0.98 0.00 -1.03 0.00 0.00 39.34 39.22 2rj1 n TYR 126 CO 0.00 0.00 0.00 -0.39 -1.02 0.00 0.00 176.86 175.45 2rj1 h VAL 127 N 0.00 0.40 0.00 -0.72 -1.51 -1.72 -1.85 116.25 110.85 2rj1 h VAL 127 Ca 0.00 -0.03 -0.00 0.00 -1.23 0.00 0.00 66.70 65.43 2rj1 h VAL 127 Cb 0.13 1.02 -0.00 0.00 -2.13 0.00 0.00 31.29 30.31 2rj1 h VAL 127 CO 0.00 0.01 -0.02 0.00 -1.23 0.00 0.00 177.57 176.33 2rj1 h ALA 128 N 1.99 1.35 0.00 5.19 0.00 -1.68 -2.16 119.26 123.95 2rj1 h ALA 128 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2rj1 h ALA 128 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2rj1 h ALA 128 CO 0.00 0.02 -0.36 1.19 0.00 0.00 0.00 179.25 180.10 2rj1 n PHE 129 N -3.61 0.28 -0.19 0.00 3.01 -0.69 -4.31 117.46 111.94 2rj1 n PHE 129 Ca -0.03 0.08 -0.07 0.00 1.01 0.00 0.00 57.45 58.44 2rj1 n PHE 129 Cb 0.11 -0.51 0.07 0.00 -0.01 0.00 0.00 39.48 39.13 2rj1 n PHE 129 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2rj1 h LEU 130 N 0.00 0.98 0.29 4.37 3.38 -1.53 -2.47 115.31 120.33 2rj1 h LEU 130 Ca 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2rj1 h LEU 130 Cb 0.60 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2rj1 h LEU 130 CO 0.00 1.02 -0.14 0.50 0.09 0.00 0.00 178.44 179.91 2rj1 h LYS 131 N 0.93 -0.38 -0.59 1.13 3.64 -1.78 0.22 116.57 119.74 2rj1 h LYS 131 Ca 0.17 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 2rj1 h LYS 131 Cb 0.51 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 2rj1 h LYS 131 CO 0.02 -0.21 0.14 1.25 -2.27 0.00 0.00 179.45 178.38 2rj1 h LEU 132 N -0.45 0.86 0.25 5.20 5.85 -1.85 -0.69 115.31 124.49 2rj1 h LEU 132 Ca -0.04 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 2rj1 h LEU 132 Cb 0.34 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2rj1 h LEU 132 CO 0.07 0.84 -0.12 0.15 -0.34 0.00 0.00 178.44 179.04 2rj1 h PHE 133 N 0.88 -0.31 -0.26 1.25 3.57 -0.99 -1.70 116.94 119.38 2rj1 h PHE 133 Ca 0.19 -0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.50 2rj1 h PHE 133 Cb 0.32 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2rj1 h PHE 133 CO 0.02 -0.17 -0.58 -0.07 -2.23 0.00 0.00 178.31 175.29 2rj1 h LEU 134 N -0.37 0.92 -0.72 0.59 3.38 -0.85 -0.90 115.31 117.36 2rj1 h LEU 134 Ca -0.03 -0.51 -0.07 0.00 0.09 0.00 0.00 57.88 57.36 2rj1 h LEU 134 Cb 0.28 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2rj1 h LEU 134 CO 0.06 1.30 0.17 -0.33 0.09 0.00 0.00 178.44 179.73 2rj1 h GLU 135 N 0.62 1.15 -0.00 1.13 5.08 -1.08 -0.99 114.58 120.48 2rj1 h GLU 135 Ca 0.00 -0.28 -0.20 0.00 -1.00 0.00 0.00 59.36 57.88 2rj1 h GLU 135 Cb 1.18 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2rj1 h GLU 135 CO 0.12 1.01 -0.88 1.79 -1.00 0.00 0.00 179.01 180.05 2rj1 h THR 136 N 1.09 1.46 -0.86 1.13 1.35 -1.29 -2.93 112.91 112.85 2rj1 h THR 136 Ca 0.22 -2.53 0.06 0.00 -0.55 0.00 0.00 66.41 63.61 2rj1 h THR 136 Cb 0.38 2.43 -0.06 0.00 -1.73 0.00 0.00 68.15 69.16 2rj1 h THR 136 CO 0.00 0.74 0.53 0.00 -0.25 0.00 0.00 175.52 176.55 2rj1 h ALA 137 N 0.91 1.18 -0.24 6.62 0.00 -0.93 -0.92 119.26 125.88 2rj1 h ALA 137 Ca -0.05 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2rj1 h ALA 137 Cb 1.51 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2rj1 h ALA 137 CO 0.14 0.28 0.16 0.93 0.00 0.00 0.00 179.25 180.77 2rj1 h GLU 138 N 0.98 0.28 0.00 0.00 4.39 -1.01 0.14 114.58 119.36 2rj1 h GLU 138 Ca 0.37 -0.02 -0.19 0.00 0.34 0.00 0.00 59.36 59.87 2rj1 h GLU 138 Cb 0.17 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 2rj1 h GLU 138 CO -0.17 0.19 -0.92 0.87 -1.16 0.00 0.00 179.01 177.81 2rj1 h LYS 139 N 0.29 0.00 0.00 2.33 1.57 -1.06 -3.42 116.57 116.27 2rj1 h LYS 139 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2rj1 h LYS 139 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2rj1 h LYS 139 CO -0.02 0.87 -0.36 0.72 -0.57 0.00 0.00 179.45 180.09 2rj1 n HIS 140 N -3.31 0.00 -3.54 -1.35 8.25 -0.48 -4.93 115.22 109.85 2rj1 n HIS 140 Ca -0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2rj1 n HIS 140 Cb 0.90 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.90 2rj1 n HIS 140 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2rj1 s PHE 141 N -0.86 3.23 -1.54 4.41 5.36 0.44 -1.25 117.98 127.77 2rj1 s PHE 141 Ca 0.00 -0.70 -0.02 0.00 -0.96 0.00 0.00 56.93 55.25 2rj1 s PHE 141 Cb 0.00 -2.49 0.01 0.00 -0.34 0.00 0.00 43.02 40.19 2rj1 s PHE 141 CO 0.00 -0.58 0.15 -1.33 -1.46 0.00 0.00 175.22 172.01 2rj1 n MET 142 N 5.07 -2.57 -1.81 10.12 2.81 0.17 -4.83 117.12 126.07 2rj1 n MET 142 Ca -0.12 0.86 -0.42 0.00 -1.81 0.00 0.00 57.70 56.22 2rj1 n MET 142 Cb 0.47 -5.56 -0.03 0.00 -0.71 0.00 0.00 33.22 27.39 2rj1 n MET 142 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2rj1 s VAL 143 N -2.97 2.24 0.00 2.03 1.01 -1.26 -1.18 120.40 120.27 2rj1 s VAL 143 Ca 0.09 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2rj1 s VAL 143 Cb -0.04 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2rj1 s VAL 143 CO 0.11 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.83 2rj1 n GLY 144 N 3.49 2.25 3.81 4.51 0.00 -1.26 -5.06 105.19 112.92 2rj1 n GLY 144 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 2rj1 n GLY 144 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rj1 s HIS 145 N -2.63 2.86 0.07 1.61 4.02 -0.32 -5.05 115.29 115.84 2rj1 s HIS 145 Ca 0.00 -0.30 -0.30 0.00 1.02 0.00 0.00 55.06 55.47 2rj1 s HIS 145 Cb 0.00 -1.68 -0.05 0.00 -1.02 0.00 0.00 32.58 29.82 2rj1 s HIS 145 CO 0.00 0.28 1.14 1.03 1.02 0.00 0.00 174.74 178.21 2rj1 s ARG 146 N -3.92 4.48 -0.02 1.40 0.52 -1.21 -4.81 118.95 115.39 2rj1 s ARG 146 Ca 0.39 1.70 0.03 0.00 -0.52 0.00 0.00 55.73 57.32 2rj1 s ARG 146 Cb -0.05 -3.36 -0.00 0.00 0.52 0.00 0.00 34.95 32.06 2rj1 s ARG 146 CO 0.25 -0.16 -0.11 0.08 0.02 0.00 0.00 175.30 175.38 2rj1 s VAL 147 N 0.83 0.87 -0.22 3.52 1.01 -0.88 -0.76 120.40 124.76 2rj1 s VAL 147 Ca 0.56 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2rj1 s VAL 147 Cb -0.28 -0.74 0.06 0.00 0.00 0.00 0.00 36.38 35.42 2rj1 s VAL 147 CO 0.30 0.25 -0.04 -2.28 0.00 0.00 0.00 175.10 173.33 2rj1 s HIS 148 N -0.09 2.12 0.19 5.22 2.46 -0.22 -0.97 115.29 124.00 2rj1 s HIS 148 Ca 0.01 -1.55 -0.28 0.00 0.47 0.00 0.00 55.06 53.71 2rj1 s HIS 148 Cb -0.06 -1.47 -0.08 0.00 -0.13 0.00 0.00 32.58 30.84 2rj1 s HIS 148 CO -0.00 -0.74 0.88 0.71 -2.47 0.00 0.00 174.74 173.13 2rj1 s TYR 149 N 1.49 3.92 -0.28 3.88 1.51 0.65 -1.00 117.35 127.52 2rj1 s TYR 149 Ca -0.04 1.79 0.02 0.00 -1.01 0.00 0.00 57.07 57.83 2rj1 s TYR 149 Cb -0.18 -2.92 0.08 0.00 -0.11 0.00 0.00 41.96 38.83 2rj1 s TYR 149 CO -0.07 0.43 -0.03 0.71 -1.11 0.00 0.00 175.55 175.48 2rj1 s TYR 150 N -0.92 3.08 -0.40 2.71 1.51 0.41 -0.98 117.35 122.77 2rj1 s TYR 150 Ca 0.40 -2.35 -0.17 0.00 -1.01 0.00 0.00 57.07 53.95 2rj1 s TYR 150 Cb -0.24 -2.14 0.01 0.00 -0.11 0.00 0.00 41.96 39.48 2rj1 s TYR 150 CO 0.29 -0.88 0.40 0.08 -1.11 0.00 0.00 175.55 174.34 2rj1 s VAL 151 N 1.15 5.13 -0.19 0.71 1.01 -0.40 -1.74 120.40 126.06 2rj1 s VAL 151 Ca -0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 2rj1 s VAL 151 Cb -0.19 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2rj1 s VAL 151 CO -0.08 -0.34 0.53 -0.36 0.00 0.00 0.00 175.10 174.85 2rj1 s PHE 152 N 2.05 3.39 0.05 5.22 0.08 -0.41 -0.31 117.98 128.05 2rj1 s PHE 152 Ca 0.11 0.81 -0.18 0.00 0.12 0.00 0.00 56.93 57.79 2rj1 s PHE 152 Cb -0.17 -2.68 0.04 0.00 -0.57 0.00 0.00 43.02 39.64 2rj1 s PHE 152 CO 0.13 -0.09 0.42 -0.08 -0.10 0.00 0.00 175.22 175.51 2rj1 s THR 153 N 1.57 0.05 -1.70 0.64 -1.32 -0.51 -0.23 115.64 114.14 2rj1 s THR 153 Ca 0.25 -0.44 0.27 0.00 -1.21 0.00 0.00 61.69 60.55 2rj1 s THR 153 Cb -0.15 -0.98 0.29 0.00 -1.51 0.00 0.00 72.50 70.15 2rj1 s THR 153 CO 0.10 -0.24 1.62 -0.90 -2.21 0.00 0.00 174.62 172.98 2rj1 n ASP 154 N 0.41 0.90 -3.42 8.08 5.75 -1.25 -1.34 116.55 125.69 2rj1 n ASP 154 Ca -0.18 -0.80 -0.26 0.00 -0.01 0.00 0.00 54.79 53.53 2rj1 n ASP 154 Cb 0.60 0.10 -0.09 0.00 -1.03 0.00 0.00 41.12 40.70 2rj1 n ASP 154 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2rj1 n GLN 155 N -0.74 1.12 -0.09 0.11 6.02 -1.26 -4.92 117.38 117.61 2rj1 n GLN 155 Ca 0.12 -3.73 0.17 0.00 -0.01 0.00 0.00 57.00 53.56 2rj1 n GLN 155 Cb 0.34 -1.75 0.58 0.00 1.02 0.00 0.00 30.24 30.43 2rj1 n GLN 155 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2rj1 h PRO 156 N 4.76 0.24 0.00 -1.09 0.11 -1.96 -0.41 132.00 133.65 2rj1 h PRO 156 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2rj1 h PRO 156 Cb 0.82 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2rj1 h PRO 156 CO 0.56 0.16 0.00 0.00 -0.21 0.00 0.00 178.00 178.50 2rj1 n ALA 157 N -2.57 1.94 1.12 -0.75 0.00 -1.26 -2.74 120.51 116.24 2rj1 n ALA 157 Ca 0.12 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.62 2rj1 n ALA 157 Cb 0.56 -1.34 0.18 0.00 0.00 0.00 0.00 19.45 18.85 2rj1 n ALA 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rj1 n ALA 158 N -1.52 2.89 -2.36 0.00 0.00 -0.16 -4.88 120.51 114.47 2rj1 n ALA 158 Ca 0.05 -0.60 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 2rj1 n ALA 158 Cb 0.24 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 2rj1 n ALA 158 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2rj1 s VAL 159 N -2.21 4.14 0.55 0.00 1.01 -1.11 -4.93 120.40 117.86 2rj1 s VAL 159 Ca 0.26 1.41 -0.20 0.00 0.00 0.00 0.00 61.98 63.46 2rj1 s VAL 159 Cb 0.20 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 2rj1 s VAL 159 CO 0.42 -0.09 1.17 -2.16 0.00 0.00 0.00 175.10 174.44 2rj1 s PRO 160 N 3.17 3.26 -0.76 2.72 0.04 -1.26 -4.94 135.00 137.23 2rj1 s PRO 160 Ca 0.58 1.74 -0.24 0.00 0.04 0.00 0.00 61.00 63.13 2rj1 s PRO 160 Cb -0.25 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.31 2rj1 s PRO 160 CO 0.19 -0.96 1.16 1.03 0.04 0.00 0.00 177.00 178.46 2rj1 s ARG 161 N -3.20 3.25 -0.16 4.56 1.81 -1.26 -4.99 118.95 118.96 2rj1 s ARG 161 Ca 0.73 -0.76 -0.07 0.00 -1.72 0.00 0.00 55.73 53.91 2rj1 s ARG 161 Cb -0.28 -4.43 -0.04 0.00 -0.45 0.00 0.00 34.95 29.75 2rj1 s ARG 161 CO 0.31 -1.98 0.09 0.08 -0.68 0.00 0.00 175.30 173.12 2rj1 s VAL 162 N 4.63 5.08 0.02 3.52 1.01 -1.26 -5.07 120.40 128.34 2rj1 s VAL 162 Ca 0.31 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 2rj1 s VAL 162 Cb -0.10 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2rj1 s VAL 162 CO 0.07 0.51 1.12 -0.89 0.00 0.00 0.00 175.10 175.91 2rj1 s THR 163 N -0.13 4.36 -0.00 3.92 2.01 -1.26 -5.03 115.64 119.50 2rj1 s THR 163 Ca 0.09 1.69 0.03 0.00 0.31 0.00 0.00 61.69 63.81 2rj1 s THR 163 Cb -0.12 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 2rj1 s THR 163 CO 0.01 0.11 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.21 2rj1 s LEU 164 N 1.19 3.10 0.96 4.42 1.43 -1.26 -5.00 118.68 123.52 2rj1 s LEU 164 Ca 0.56 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.38 2rj1 s LEU 164 Cb -0.26 -1.77 0.17 0.00 0.03 0.00 0.00 46.19 44.36 2rj1 s LEU 164 CO 0.28 0.29 1.09 -0.83 0.23 0.00 0.00 176.35 177.40 2rj1 s GLY 165 N -1.33 1.60 0.50 -3.19 0.00 -1.26 -4.96 107.32 98.67 2rj1 s GLY 165 Ca 0.16 -0.10 -0.23 0.00 0.00 0.00 0.00 44.72 44.55 2rj1 s GLY 165 CO 0.06 0.45 1.33 -1.08 0.00 0.00 0.00 173.10 173.86 2rj1 s THR 166 N -2.85 2.32 -0.16 0.90 -1.32 -1.26 -2.90 115.64 110.37 2rj1 s THR 166 Ca 0.65 0.25 0.00 0.00 -1.21 0.00 0.00 61.69 61.38 2rj1 s THR 166 Cb -0.19 -3.13 0.00 0.00 -1.51 0.00 0.00 72.50 67.66 2rj1 s THR 166 CO 0.58 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.61 2rj1 n GLY 167 N 0.64 0.52 3.08 6.08 0.00 -1.26 -4.96 105.19 109.30 2rj1 n GLY 167 Ca 0.08 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 2rj1 n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rj1 s ARG 168 N -1.32 1.56 0.11 1.61 0.52 -1.14 -2.08 118.95 118.21 2rj1 s ARG 168 Ca 0.00 -0.49 0.01 0.00 -0.52 0.00 0.00 55.73 54.72 2rj1 s ARG 168 Cb 0.00 -1.36 -0.04 0.00 0.52 0.00 0.00 34.95 34.07 2rj1 s ARG 168 CO 0.00 0.17 -0.03 1.14 0.02 0.00 0.00 175.30 176.60 2rj1 s GLN 169 N 0.20 0.85 -0.04 3.54 -2.07 -0.15 -4.80 119.66 117.18 2rj1 s GLN 169 Ca -0.06 -1.36 0.01 0.00 -1.82 0.00 0.00 55.36 52.14 2rj1 s GLN 169 Cb -0.12 -0.06 0.02 0.00 -1.09 0.00 0.00 33.01 31.77 2rj1 s GLN 169 CO 0.02 -0.09 -0.05 -1.17 -1.32 0.00 0.00 175.29 172.67 2rj1 s LEU 170 N -3.04 1.43 -0.08 2.60 0.20 -1.26 -0.26 118.68 118.27 2rj1 s LEU 170 Ca 0.15 -0.14 0.02 0.00 0.69 0.00 0.00 54.13 54.84 2rj1 s LEU 170 Cb 0.06 -0.48 -0.02 0.00 -0.43 0.00 0.00 46.19 45.32 2rj1 s LEU 170 CO -0.03 -0.03 -0.14 -0.44 -0.29 0.00 0.00 176.35 175.42 2rj1 s SER 171 N 0.78 4.04 -0.27 3.68 0.01 -0.15 -4.96 113.70 116.83 2rj1 s SER 171 Ca -0.11 -0.24 -0.10 0.00 1.31 0.00 0.00 55.95 56.81 2rj1 s SER 171 Cb -0.14 -1.12 -0.05 0.00 0.21 0.00 0.00 66.02 64.93 2rj1 s SER 171 CO 0.01 0.28 0.17 -0.69 0.41 0.00 0.00 173.24 173.42 2rj1 s VAL 172 N -0.36 5.18 -0.28 3.43 1.01 -1.26 -1.28 120.40 126.83 2rj1 s VAL 172 Ca 0.04 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 2rj1 s VAL 172 Cb -0.12 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.81 2rj1 s VAL 172 CO 0.02 0.28 0.05 -0.76 0.00 0.00 0.00 175.10 174.70 2rj1 s LEU 173 N 1.58 3.66 0.05 3.92 2.01 0.57 -4.97 118.68 125.50 2rj1 s LEU 173 Ca 0.07 -0.69 -0.30 0.00 0.01 0.00 0.00 54.13 53.22 2rj1 s LEU 173 Cb -0.15 -1.84 -0.04 0.00 0.01 0.00 0.00 46.19 44.17 2rj1 s LEU 173 CO 0.09 -0.16 1.00 -0.70 1.01 0.00 0.00 176.35 177.58 2rj1 s GLU 174 N 1.47 4.59 0.17 1.70 2.12 -1.26 -1.43 118.70 126.07 2rj1 s GLU 174 Ca 0.03 1.47 0.01 0.00 0.36 0.00 0.00 54.97 56.84 2rj1 s GLU 174 Cb -0.17 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.76 2rj1 s GLU 174 CO 0.01 0.02 0.01 0.14 -0.54 0.00 0.00 175.26 174.90 2rj1 s VAL 175 N 0.66 0.58 0.52 3.70 -7.23 -0.45 -4.90 120.40 113.29 2rj1 s VAL 175 Ca 0.51 -1.97 -0.18 0.00 -1.81 0.00 0.00 61.98 58.53 2rj1 s VAL 175 Cb -0.23 -2.13 -0.07 0.00 0.56 0.00 0.00 36.38 34.52 2rj1 s VAL 175 CO 0.29 -0.46 1.02 0.00 -0.31 0.00 0.00 175.10 175.64 2rj1 s ARG 176 N -3.94 3.72 -0.25 4.82 1.70 -1.26 -3.77 118.95 119.97 2rj1 s ARG 176 Ca 0.24 1.17 -0.13 0.00 -0.47 0.00 0.00 55.73 56.54 2rj1 s ARG 176 Cb 0.06 -2.09 -0.04 0.00 -0.57 0.00 0.00 34.95 32.30 2rj1 s ARG 176 CO 0.04 -0.47 0.27 0.00 -1.08 0.00 0.00 175.30 174.05 2rj1 s ALA 177 N -2.34 3.57 0.43 7.88 0.00 -1.26 -4.86 121.76 125.18 2rj1 s ALA 177 Ca 0.63 -0.86 -0.18 0.00 0.00 0.00 0.00 51.96 51.55 2rj1 s ALA 177 Cb -0.14 -2.52 -0.09 0.00 0.00 0.00 0.00 23.12 20.37 2rj1 s ALA 177 CO 0.28 -0.43 0.91 0.71 0.00 0.00 0.00 175.76 177.23 2rj1 s TYR 178 N 1.56 3.37 0.06 0.00 1.51 -1.26 -5.01 117.35 117.58 2rj1 s TYR 178 Ca 0.11 1.47 -0.18 0.00 -1.01 0.00 0.00 57.07 57.46 2rj1 s TYR 178 Cb -0.15 -2.75 -0.13 0.00 -0.11 0.00 0.00 41.96 38.82 2rj1 s TYR 178 CO 0.08 -0.15 1.36 -0.22 -1.11 0.00 0.00 175.55 175.51 2rj1 h LYS 179 N 1.65 0.48 -6.09 -0.62 3.64 -1.98 -3.44 116.57 110.20 2rj1 h LYS 179 Ca -0.48 -0.26 -0.56 0.00 -1.27 0.00 0.00 60.65 58.08 2rj1 h LYS 179 Cb 1.18 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 2rj1 h LYS 179 CO 0.62 0.84 0.08 1.03 -2.27 0.00 0.00 179.45 179.75 2rj1 s ARG 180 N -4.26 4.42 0.40 1.90 0.52 -1.26 -4.96 118.95 115.71 2rj1 s ARG 180 Ca -0.13 0.88 0.11 0.00 -0.52 0.00 0.00 55.73 56.06 2rj1 s ARG 180 Cb 0.06 -3.41 0.90 0.00 0.52 0.00 0.00 34.95 33.03 2rj1 s ARG 180 CO 0.78 0.18 1.95 0.11 0.02 0.00 0.00 175.30 178.34 2rj1 h TRP 181 N 6.29 0.61 -0.59 -0.53 5.08 -1.85 -0.47 115.95 124.49 2rj1 h TRP 181 Ca -0.42 0.02 0.03 0.00 1.08 0.00 0.00 58.89 59.59 2rj1 h TRP 181 Cb 1.20 -0.20 -0.04 0.00 -3.00 0.00 0.00 29.16 27.12 2rj1 h TRP 181 CO 0.65 0.29 0.36 1.96 -1.28 0.00 0.00 178.44 180.41 2rj1 h GLN 182 N 0.57 0.69 -0.38 0.12 7.50 -1.98 0.74 115.11 122.37 2rj1 h GLN 182 Ca 0.32 -0.04 -0.09 0.00 0.50 0.00 0.00 58.65 59.34 2rj1 h GLN 182 Cb 0.51 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.87 2rj1 h GLN 182 CO -0.11 0.46 -0.12 -0.44 -1.50 0.00 0.00 178.83 177.12 2rj1 h ASP 183 N 0.71 0.77 -0.54 1.46 3.32 -1.56 0.39 116.42 120.98 2rj1 h ASP 183 Ca 0.24 -0.38 0.08 0.00 0.02 0.00 0.00 57.03 56.99 2rj1 h ASP 183 Cb 0.02 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.29 2rj1 h ASP 183 CO -0.10 0.97 0.20 0.58 -1.72 0.00 0.00 179.24 179.17 2rj1 h VAL 184 N 0.57 0.80 -0.13 -1.35 2.07 -0.86 0.68 116.25 118.04 2rj1 h VAL 184 Ca 0.09 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2rj1 h VAL 184 Cb 0.65 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2rj1 h VAL 184 CO 0.04 0.07 -0.05 -1.28 0.02 0.00 0.00 177.57 176.37 2rj1 h SER 185 N 0.37 0.27 -0.69 0.57 0.87 -0.68 -3.27 113.55 111.00 2rj1 h SER 185 Ca 0.27 -0.40 -0.07 0.00 -1.23 0.00 0.00 61.79 60.36 2rj1 h SER 185 Cb 0.31 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 2rj1 h SER 185 CO -0.27 0.61 0.16 0.24 -0.53 0.00 0.00 176.83 177.04 2rj1 h MET 186 N -0.07 1.11 0.00 2.24 2.07 -0.70 -2.91 114.93 116.66 2rj1 h MET 186 Ca 0.03 -0.26 0.00 0.00 -2.07 0.00 0.00 59.70 57.39 2rj1 h MET 186 Cb 0.51 -0.15 0.00 0.00 -1.87 0.00 0.00 31.60 30.09 2rj1 h MET 186 CO 0.02 0.98 0.00 0.54 1.07 0.00 0.00 176.91 179.52 2rj1 n ARG 187 N -4.23 0.02 -0.32 1.72 5.12 0.21 -2.35 116.66 116.83 2rj1 n ARG 187 Ca 0.05 0.29 0.07 0.00 -1.93 0.00 0.00 57.85 56.33 2rj1 n ARG 187 Cb 0.26 -1.50 0.26 0.00 -1.16 0.00 0.00 32.46 30.32 2rj1 n ARG 187 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2rj1 h ARG 188 N 0.00 0.93 -0.13 5.56 3.08 -1.58 -0.88 114.38 121.36 2rj1 h ARG 188 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2rj1 h ARG 188 Cb 0.19 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2rj1 h ARG 188 CO 0.00 0.62 0.08 0.52 -1.07 0.00 0.00 179.97 180.12 2rj1 h MET 189 N 0.96 0.17 -0.42 0.04 2.86 -1.69 0.74 114.93 117.58 2rj1 h MET 189 Ca 0.45 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.08 2rj1 h MET 189 Cb 0.42 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 2rj1 h MET 189 CO -0.21 0.13 0.28 1.49 1.06 0.00 0.00 176.91 179.66 2rj1 h GLU 190 N 0.16 0.55 -0.47 1.72 4.81 -1.67 -1.36 114.58 118.32 2rj1 h GLU 190 Ca 0.05 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 2rj1 h GLU 190 Cb 0.00 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2rj1 h GLU 190 CO -0.01 0.37 -0.10 0.52 -0.73 0.00 0.00 179.01 179.07 2rj1 h MET 191 N 0.57 0.85 -0.45 1.92 2.86 -0.72 -2.65 114.93 117.31 2rj1 h MET 191 Ca 0.15 -0.29 -0.13 0.00 -2.06 0.00 0.00 59.70 57.38 2rj1 h MET 191 Cb -0.06 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 2rj1 h MET 191 CO -0.03 0.91 -0.22 0.82 1.06 0.00 0.00 176.91 179.45 2rj1 h ILE 192 N 0.77 1.27 0.03 -1.22 2.04 -0.77 -3.36 117.51 116.26 2rj1 h ILE 192 Ca 0.13 -1.38 -0.00 0.00 1.00 0.00 0.00 64.86 64.60 2rj1 h ILE 192 Cb 0.60 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2rj1 h ILE 192 CO 0.04 0.47 -0.01 0.77 0.00 0.00 0.00 178.15 179.42 2rj1 h SER 193 N 0.78 -0.04 0.00 1.72 4.64 -0.86 -3.39 113.55 116.41 2rj1 h SER 193 Ca 0.10 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2rj1 h SER 193 Cb 0.80 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2rj1 h SER 193 CO 0.07 0.72 0.00 0.00 -0.87 0.00 0.00 176.83 176.75 2rj1 s GLU 197 N 0.00 2.18 0.00 0.00 0.41 -1.26 -4.99 118.70 115.04 2rj1 s GLU 197 Ca 0.00 -0.52 0.06 0.00 -0.41 0.00 0.00 54.97 54.11 2rj1 s GLU 197 Cb 0.00 -1.99 -0.04 0.00 -1.78 0.00 0.00 34.13 30.32 2rj1 s GLU 197 CO 0.00 -0.20 0.36 0.54 -0.49 0.00 0.00 175.26 175.47 2rj1 n ARG 198 N 4.67 3.90 0.22 1.61 5.12 -1.26 -4.62 116.66 126.30 2rj1 n ARG 198 Ca -0.17 -0.19 0.05 0.00 -1.93 0.00 0.00 57.85 55.62 2rj1 n ARG 198 Cb 0.50 -0.87 0.50 0.00 -1.16 0.00 0.00 32.46 31.43 2rj1 n ARG 198 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 2rj1 h ARG 199 N 0.29 0.00 -0.59 5.56 0.11 -1.98 -3.30 114.38 114.47 2rj1 h ARG 199 Ca 0.00 0.00 0.09 0.00 0.10 0.00 0.00 59.98 60.17 2rj1 h ARG 199 Cb 0.18 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.19 2rj1 h ARG 199 CO 0.00 0.20 0.20 0.74 0.10 0.00 0.00 179.97 181.21 2rj1 h PHE 200 N 0.00 0.34 -0.65 4.08 0.04 -1.95 -1.48 116.94 117.31 2rj1 h PHE 200 Ca -0.00 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.87 2rj1 h PHE 200 Cb 0.36 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.41 2rj1 h PHE 200 CO 0.00 0.07 0.43 -0.07 -0.60 0.00 0.00 178.31 178.14 2rj1 h LEU 201 N 0.36 0.56 0.00 1.54 3.38 -1.82 -0.47 115.31 118.86 2rj1 h LEU 201 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2rj1 h LEU 201 Cb 0.38 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2rj1 h LEU 201 CO -0.32 0.36 -0.74 0.77 0.09 0.00 0.00 178.44 178.61 2rj1 h SER 202 N 0.64 0.00 0.00 -0.43 4.64 -1.52 -3.41 113.55 113.47 2rj1 h SER 202 Ca 0.28 -0.10 -0.18 0.00 -0.47 0.00 0.00 61.79 61.33 2rj1 h SER 202 Cb 0.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 2rj1 h SER 202 CO -0.09 0.05 -1.77 -0.62 -0.87 0.00 0.00 176.83 173.53 2rj1 n GLU 203 N -2.45 1.76 -4.13 4.77 1.02 -0.64 -5.05 120.64 115.91 2rj1 n GLU 203 Ca 0.02 -0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.04 2rj1 n GLU 203 Cb 0.50 -1.31 -0.10 0.00 -0.02 0.00 0.00 31.44 30.51 2rj1 n GLU 203 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2rj1 s VAL 204 N -2.40 0.20 -0.17 2.62 -7.23 -0.28 -4.93 120.40 108.21 2rj1 s VAL 204 Ca -0.06 -1.87 -0.01 0.00 -1.81 0.00 0.00 61.98 58.23 2rj1 s VAL 204 Cb 0.04 -1.82 -0.22 0.00 0.56 0.00 0.00 36.38 34.94 2rj1 s VAL 204 CO 0.50 -0.70 0.14 0.47 -0.31 0.00 0.00 175.10 175.19 2rj1 n ASP 205 N -0.02 1.88 -4.29 4.85 8.00 0.13 -4.61 116.55 122.50 2rj1 n ASP 205 Ca -0.09 0.08 -0.24 0.00 0.71 0.00 0.00 54.79 55.24 2rj1 n ASP 205 Cb 0.62 -0.54 -0.13 0.00 -0.02 0.00 0.00 41.12 41.06 2rj1 n ASP 205 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2rj1 s TYR 206 N -2.54 1.80 -0.07 1.24 2.02 -1.10 -2.51 117.35 116.19 2rj1 s TYR 206 Ca -0.26 -0.42 0.06 0.00 -0.37 0.00 0.00 57.07 56.08 2rj1 s TYR 206 Cb 0.08 -0.99 -0.01 0.00 -0.40 0.00 0.00 41.96 40.64 2rj1 s TYR 206 CO 0.71 0.21 -0.24 -0.51 -1.57 0.00 0.00 175.55 174.15 2rj1 s LEU 207 N -1.91 2.06 -0.13 -1.29 1.43 0.26 -0.35 118.68 118.76 2rj1 s LEU 207 Ca 0.07 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 2rj1 s LEU 207 Cb -0.10 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.77 2rj1 s LEU 207 CO 0.04 0.22 -0.21 -0.69 0.23 0.00 0.00 176.35 175.94 2rj1 s VAL 208 N -0.05 2.23 -0.23 -1.59 1.01 0.49 -1.17 120.40 121.09 2rj1 s VAL 208 Ca -0.07 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 60.99 2rj1 s VAL 208 Cb -0.15 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 34.39 2rj1 s VAL 208 CO 0.05 0.55 -0.14 0.00 0.00 0.00 0.00 175.10 175.55 2rj1 s VAL 210 N 1.19 1.17 0.63 0.00 -7.23 -0.94 -2.10 120.40 113.11 2rj1 s VAL 210 Ca -0.03 -2.06 -0.16 0.00 -1.81 0.00 0.00 61.98 57.92 2rj1 s VAL 210 Cb -0.17 -1.92 -0.01 0.00 0.56 0.00 0.00 36.38 34.84 2rj1 s VAL 210 CO -0.08 -0.69 1.10 -1.81 -0.31 0.00 0.00 175.10 173.31 2rj1 s ASP 211 N -3.19 5.31 0.09 4.85 1.11 -0.85 -4.35 116.67 119.64 2rj1 s ASP 211 Ca 0.18 1.98 0.19 0.00 0.18 0.00 0.00 52.55 55.08 2rj1 s ASP 211 Cb 0.03 -2.55 -0.12 0.00 1.07 0.00 0.00 42.92 41.35 2rj1 s ASP 211 CO 0.02 -1.49 0.82 0.55 1.18 0.00 0.00 175.17 176.25 2rj1 n VAL 212 N -2.22 0.91 -1.18 -1.27 3.14 -1.26 -4.52 118.33 111.93 2rj1 n VAL 212 Ca 0.10 -0.64 -0.29 0.00 -2.96 0.00 0.00 64.34 60.55 2rj1 n VAL 212 Cb 0.52 -0.53 -0.07 0.00 -1.06 0.00 0.00 33.84 32.70 2rj1 n VAL 212 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 2rj1 n ASP 213 N -2.76 7.43 -3.85 6.55 5.75 -1.26 -4.71 116.55 123.70 2rj1 n ASP 213 Ca -0.07 -2.52 -0.10 0.00 -0.01 0.00 0.00 54.79 52.09 2rj1 n ASP 213 Cb 0.74 -1.48 -0.05 0.00 -1.03 0.00 0.00 41.12 39.29 2rj1 n ASP 213 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2rj1 s MET 214 N 1.86 1.27 -0.01 0.11 -1.94 -1.26 -1.44 119.30 117.89 2rj1 s MET 214 Ca 0.67 -1.02 -0.06 0.00 -1.71 0.00 0.00 55.69 53.57 2rj1 s MET 214 Cb 0.22 0.45 0.00 0.00 2.01 0.00 0.00 34.83 37.51 2rj1 s MET 214 CO -0.04 -0.50 0.12 -1.83 -0.01 0.00 0.00 175.02 172.75 2rj1 s GLU 215 N -3.92 0.37 0.01 2.03 -1.05 -0.29 -4.10 118.70 111.75 2rj1 s GLU 215 Ca 0.13 -0.26 -0.23 0.00 -0.15 0.00 0.00 54.97 54.46 2rj1 s GLU 215 Cb 0.01 0.16 -0.05 0.00 -0.44 0.00 0.00 34.13 33.81 2rj1 s GLU 215 CO -0.01 -0.08 0.68 -0.06 0.95 0.00 0.00 175.26 176.74 2rj1 s PHE 216 N -0.99 3.69 -0.10 4.83 0.40 -1.26 -0.94 117.98 123.61 2rj1 s PHE 216 Ca -0.11 1.32 0.04 0.00 -0.60 0.00 0.00 56.93 57.59 2rj1 s PHE 216 Cb -0.06 -2.72 -0.06 0.00 0.51 0.00 0.00 43.02 40.69 2rj1 s PHE 216 CO 0.01 0.29 0.14 0.54 0.70 0.00 0.00 175.22 176.89 2rj1 n ARG 217 N 2.89 2.77 -3.93 0.44 1.74 0.73 -4.82 116.66 116.48 2rj1 n ARG 217 Ca -0.04 -0.02 -0.11 0.00 -0.77 0.00 0.00 57.85 56.91 2rj1 n ARG 217 Cb 0.51 -0.91 -0.01 0.00 -1.02 0.00 0.00 32.46 31.02 2rj1 n ARG 217 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2rj1 s ASP 218 N -1.98 0.32 0.03 0.55 3.68 -1.03 -4.93 116.67 113.31 2rj1 s ASP 218 Ca -0.00 -1.21 -0.35 0.00 2.13 0.00 0.00 52.55 53.11 2rj1 s ASP 218 Cb 0.03 0.75 -0.14 0.00 -1.45 0.00 0.00 42.92 42.11 2rj1 s ASP 218 CO 0.18 -1.47 1.61 1.57 0.13 0.00 0.00 175.17 177.19 2rj1 n HIS 219 N -0.52 2.07 -3.84 -5.34 -0.00 -1.26 -4.77 115.22 101.54 2rj1 n HIS 219 Ca -0.04 0.33 -0.30 0.00 -0.00 0.00 0.00 57.72 57.72 2rj1 n HIS 219 Cb 0.61 -2.51 -0.15 0.00 -0.00 0.00 0.00 29.99 27.93 2rj1 n HIS 219 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2rj1 s VAL 220 N 1.82 1.23 0.00 3.57 1.01 -0.38 -4.89 120.40 122.76 2rj1 s VAL 220 Ca 0.86 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2rj1 s VAL 220 Cb -0.80 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 33.85 2rj1 s VAL 220 CO 0.47 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.80 2rj1 n GLY 221 N 4.74 6.04 0.00 4.51 0.00 -1.26 -0.65 105.19 118.57 2rj1 n GLY 221 Ca -0.06 -1.61 0.05 0.00 0.00 0.00 0.00 46.02 44.40 2rj1 n GLY 221 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2rj1 n VAL 222 N 0.00 1.13 0.27 1.61 0.24 -1.26 -1.82 118.33 118.50 2rj1 n VAL 222 Ca 0.00 0.28 0.18 0.00 -2.04 0.00 0.00 64.34 62.76 2rj1 n VAL 222 Cb 0.00 -1.12 0.93 0.00 -1.47 0.00 0.00 33.84 32.18 2rj1 n VAL 222 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2rj1 h GLU 223 N 0.00 0.00 0.00 7.34 9.09 -1.95 -1.73 114.58 127.33 2rj1 h GLU 223 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2rj1 h GLU 223 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.24 2rj1 h GLU 223 CO 0.00 0.00 -0.35 -0.84 0.05 0.00 0.00 179.01 177.87 2rj1 h ILE 224 N 0.00 0.00 -3.76 -1.06 3.07 -1.78 -3.48 117.51 110.51 2rj1 h ILE 224 Ca 0.04 -0.85 -0.50 0.00 1.55 0.00 0.00 64.86 65.10 2rj1 h ILE 224 Cb 0.37 1.66 -0.00 0.00 -0.27 0.00 0.00 36.82 38.58 2rj1 h ILE 224 CO -0.00 0.00 0.42 -0.76 -1.05 0.00 0.00 178.15 176.75 2rj1 s LEU 225 N -5.46 4.59 0.00 0.16 1.43 -0.65 -4.87 118.68 113.87 2rj1 s LEU 225 Ca 0.05 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 2rj1 s LEU 225 Cb 0.08 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2rj1 s LEU 225 CO 0.70 -0.01 0.00 1.07 0.23 0.00 0.00 176.35 178.34 2rj1 n THR 226 N 1.43 0.00 -0.35 5.49 5.66 -1.26 -5.04 114.28 120.21 2rj1 n THR 226 Ca -0.01 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.11 2rj1 n THR 226 Cb 0.46 0.00 0.31 0.00 -1.55 0.00 0.00 70.33 69.55 2rj1 n THR 226 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 2rj1 h PRO 227 N 0.00 0.79 -2.60 1.09 0.11 -1.94 -3.09 132.00 126.36 2rj1 h PRO 227 Ca 0.00 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.95 2rj1 h PRO 227 Cb 0.00 -0.18 -0.27 0.00 0.11 0.00 0.00 31.00 30.66 2rj1 h PRO 227 CO 0.00 0.52 -0.34 -1.17 -0.21 0.00 0.00 178.00 176.80 2rj1 s LEU 228 N -10.25 -0.34 0.05 2.35 2.96 -1.26 -0.93 118.68 111.26 2rj1 s LEU 228 Ca -0.11 0.92 0.03 0.00 -0.22 0.00 0.00 54.13 54.75 2rj1 s LEU 228 Cb 0.24 1.31 -0.03 0.00 0.50 0.00 0.00 46.19 48.22 2rj1 s LEU 228 CO 0.80 -0.21 -0.10 0.72 -1.32 0.00 0.00 176.35 176.24 2rj1 s PHE 229 N 1.97 0.89 0.42 5.38 -0.12 0.45 0.42 117.98 127.39 2rj1 s PHE 229 Ca -0.06 -0.46 0.04 0.00 -0.05 0.00 0.00 56.93 56.40 2rj1 s PHE 229 Cb -0.10 -0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 41.72 2rj1 s PHE 229 CO -0.13 -0.02 0.04 0.20 -0.05 0.00 0.00 175.22 175.26 2rj1 s GLY 230 N -1.57 2.58 -0.04 1.99 0.00 -1.21 -2.13 107.32 106.95 2rj1 s GLY 230 Ca -0.06 -1.53 0.05 0.00 0.00 0.00 0.00 44.72 43.17 2rj1 s GLY 230 CO 0.01 -2.03 -0.19 -1.59 0.00 0.00 0.00 173.10 169.31 2rj1 s THR 231 N -2.96 1.55 0.04 0.90 2.01 -1.23 -0.66 115.64 115.28 2rj1 s THR 231 Ca 0.25 -0.79 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 2rj1 s THR 231 Cb 0.06 -1.32 -0.07 0.00 0.01 0.00 0.00 72.50 71.18 2rj1 s THR 231 CO 0.13 0.44 1.59 -0.76 -0.69 0.00 0.00 174.62 175.33 2rj1 s LEU 232 N -0.10 4.35 0.19 4.42 1.43 0.03 -0.57 118.68 128.43 2rj1 s LEU 232 Ca -0.01 2.37 -0.32 0.00 -1.03 0.00 0.00 54.13 55.14 2rj1 s LEU 232 Cb -0.11 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.44 2rj1 s LEU 232 CO 0.02 -0.85 1.64 -2.28 0.23 0.00 0.00 176.35 175.11 2rj1 s HIS 233 N 2.73 2.98 0.40 0.29 5.65 -0.26 -4.21 115.29 122.87 2rj1 s HIS 233 Ca 0.71 0.49 0.38 0.00 0.25 0.00 0.00 55.06 56.90 2rj1 s HIS 233 Cb -0.37 -4.03 1.86 0.00 -1.18 0.00 0.00 32.58 28.86 2rj1 s HIS 233 CO 0.31 -3.85 2.17 -1.00 -0.65 0.00 0.00 174.74 171.72 2rj1 h PRO 234 N 6.76 0.00 0.00 2.88 0.13 -1.90 -2.54 132.00 137.32 2rj1 h PRO 234 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2rj1 h PRO 234 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2rj1 h PRO 234 CO 0.93 0.02 -0.49 0.43 -0.23 0.00 0.00 178.00 178.66 2rj1 n SER 235 N -3.16 0.59 0.00 1.44 7.64 -1.26 -4.40 113.62 114.47 2rj1 n SER 235 Ca -0.01 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2rj1 n SER 235 Cb 0.19 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2rj1 n SER 235 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2rj1 n PHE 236 N -1.91 0.00 0.25 1.43 3.01 -0.97 -4.79 117.46 114.48 2rj1 n PHE 236 Ca 0.04 -0.11 0.11 0.00 1.01 0.00 0.00 57.45 58.50 2rj1 n PHE 236 Cb 0.40 -0.01 0.68 0.00 -0.01 0.00 0.00 39.48 40.54 2rj1 n PHE 236 CO 0.00 0.00 0.00 0.10 1.01 0.00 0.00 176.76 177.87 2rj1 h TYR 237 N 0.00 0.00 -0.19 1.38 -0.00 -1.73 -0.96 116.97 115.47 2rj1 h TYR 237 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2rj1 h TYR 237 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.09 2rj1 h TYR 237 CO 0.00 0.13 0.00 0.41 -0.00 0.00 0.00 178.16 178.70 2rj1 n GLY 238 N -0.81 1.09 3.85 0.10 0.00 -1.26 -5.00 105.19 103.16 2rj1 n GLY 238 Ca -0.02 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 2rj1 n GLY 238 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rj1 s SER 239 N -1.74 6.74 0.52 1.61 0.01 -0.37 -5.07 113.70 115.40 2rj1 s SER 239 Ca 0.34 1.37 -0.17 0.00 1.31 0.00 0.00 55.95 58.80 2rj1 s SER 239 Cb 0.21 -2.41 -0.07 0.00 0.21 0.00 0.00 66.02 63.95 2rj1 s SER 239 CO 0.31 -0.32 0.99 -0.94 0.41 0.00 0.00 173.24 173.69 2rj1 s SER 240 N -2.53 6.52 0.48 2.44 1.04 -1.26 -4.95 113.70 115.43 2rj1 s SER 240 Ca 0.56 1.61 0.13 0.00 0.48 0.00 0.00 55.95 58.73 2rj1 s SER 240 Cb -0.10 -2.51 1.13 0.00 0.10 0.00 0.00 66.02 64.64 2rj1 s SER 240 CO 0.21 -0.66 2.11 0.08 0.98 0.00 0.00 173.24 175.96 2rj1 h ARG 241 N 0.87 0.20 0.00 4.02 0.11 -1.91 -1.10 114.38 116.56 2rj1 h ARG 241 Ca -0.47 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 59.57 2rj1 h ARG 241 Cb 1.19 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 32.22 2rj1 h ARG 241 CO 0.61 0.13 -0.16 1.05 0.10 0.00 0.00 179.97 181.70 2rj1 h GLU 242 N 0.20 0.00 0.00 0.08 9.09 -1.91 -2.23 114.58 119.81 2rj1 h GLU 242 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.48 2rj1 h GLU 242 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 2rj1 h GLU 242 CO -0.01 0.16 -0.28 0.00 0.05 0.00 0.00 179.01 178.92 2rj1 h ALA 243 N 1.84 0.82 -2.63 1.06 0.00 -1.58 -3.47 119.26 115.31 2rj1 h ALA 243 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 2rj1 h ALA 243 Cb 0.34 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.24 2rj1 h ALA 243 CO 0.02 0.00 0.56 1.19 0.00 0.00 0.00 179.25 181.02 2rj1 n PHE 244 N -2.32 2.42 -1.23 0.00 0.99 -0.84 -4.87 117.46 111.61 2rj1 n PHE 244 Ca 0.04 0.53 -0.21 0.00 -0.00 0.00 0.00 57.45 57.81 2rj1 n PHE 244 Cb 0.45 -2.44 -0.06 0.00 -1.00 0.00 0.00 39.48 36.43 2rj1 n PHE 244 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2rj1 n THR 245 N 0.31 3.09 -0.79 4.37 -2.24 -1.26 -4.94 114.28 112.83 2rj1 n THR 245 Ca 0.04 -2.33 -0.31 0.00 -2.27 0.00 0.00 64.05 59.18 2rj1 n THR 245 Cb 0.37 -1.62 0.16 0.00 -2.10 0.00 0.00 70.33 67.14 2rj1 n THR 245 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2rj1 s TYR 246 N -1.12 1.77 0.03 4.78 4.12 -1.26 -4.75 117.35 120.92 2rj1 s TYR 246 Ca 0.53 1.74 -0.30 0.00 0.02 0.00 0.00 57.07 59.05 2rj1 s TYR 246 Cb 0.33 -3.29 -0.08 0.00 -1.52 0.00 0.00 41.96 37.40 2rj1 s TYR 246 CO -0.13 -2.67 1.70 -2.00 0.02 0.00 0.00 175.55 172.47 2rj1 s GLU 247 N -4.69 4.18 0.00 -0.62 2.56 -1.26 -4.90 118.70 113.97 2rj1 s GLU 247 Ca 0.66 2.33 0.17 0.00 0.00 0.00 0.00 54.97 58.13 2rj1 s GLU 247 Cb -0.22 -3.79 0.14 0.00 2.00 0.00 0.00 34.13 32.27 2rj1 s GLU 247 CO 0.58 -0.80 1.04 0.54 -0.56 0.00 0.00 175.26 176.06 2rj1 n ARG 248 N 6.30 1.35 -3.06 4.30 5.12 -1.26 -1.39 116.66 128.02 2rj1 n ARG 248 Ca 0.17 -1.51 -0.41 0.00 -1.93 0.00 0.00 57.85 54.16 2rj1 n ARG 248 Cb 0.41 -1.32 -0.06 0.00 -1.16 0.00 0.00 32.46 30.33 2rj1 n ARG 248 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2rj1 s ARG 249 N -1.38 4.03 0.50 5.56 0.52 -1.26 -4.90 118.95 122.02 2rj1 s ARG 249 Ca 0.20 0.53 0.30 0.00 -0.52 0.00 0.00 55.73 56.24 2rj1 s ARG 249 Cb 0.14 -3.69 1.64 0.00 0.52 0.00 0.00 34.95 33.56 2rj1 s ARG 249 CO 0.21 -0.52 1.91 -1.35 0.02 0.00 0.00 175.30 175.57 2rj1 h PRO 250 N 8.00 0.00 0.00 3.54 0.11 -1.97 -1.87 132.00 139.81 2rj1 h PRO 250 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2rj1 h PRO 250 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2rj1 h PRO 250 CO 0.81 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.64 2rj1 n GLN 251 N -2.62 0.20 -3.75 1.05 3.00 -1.26 -4.75 117.38 109.25 2rj1 n GLN 251 Ca -0.02 0.32 -0.37 0.00 -0.01 0.00 0.00 57.00 56.92 2rj1 n GLN 251 Cb 0.13 -1.81 -0.06 0.00 0.00 0.00 0.00 30.24 28.50 2rj1 n GLN 251 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2rj1 s SER 252 N -4.22 6.53 0.65 1.08 0.15 -0.70 -4.96 113.70 112.23 2rj1 s SER 252 Ca 0.07 0.63 0.42 0.00 0.70 0.00 0.00 55.95 57.78 2rj1 s SER 252 Cb 0.11 -2.13 2.30 0.00 -1.71 0.00 0.00 66.02 64.59 2rj1 s SER 252 CO 0.46 0.36 2.34 1.56 1.20 0.00 0.00 173.24 179.16 2rj1 h GLN 253 N 4.73 0.00 -0.01 5.44 1.08 -1.85 -1.93 115.11 122.57 2rj1 h GLN 253 Ca -0.53 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.67 2rj1 h GLN 253 Cb 1.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 2rj1 h GLN 253 CO 0.60 0.00 -0.01 0.00 -0.95 0.00 0.00 178.83 178.47 2rj1 n ALA 254 N -2.11 2.64 -1.67 3.87 0.00 -1.26 -4.96 120.51 117.02 2rj1 n ALA 254 Ca -0.03 -0.32 -0.45 0.00 0.00 0.00 0.00 53.44 52.63 2rj1 n ALA 254 Cb 0.09 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.17 2rj1 n ALA 254 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2rj1 n TYR 255 N -0.43 2.31 -3.91 0.00 9.36 -0.73 -4.33 117.16 119.43 2rj1 n TYR 255 Ca 0.21 0.27 -0.24 0.00 3.32 0.00 0.00 57.90 61.45 2rj1 n TYR 255 Cb 0.24 -2.55 -0.17 0.00 -0.63 0.00 0.00 39.34 36.24 2rj1 n TYR 255 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2rj1 s ILE 256 N 0.82 0.66 0.87 2.97 1.01 -0.49 -5.01 121.20 122.04 2rj1 s ILE 256 Ca 0.77 -0.08 -0.10 0.00 0.00 0.00 0.00 60.65 61.24 2rj1 s ILE 256 Cb -0.66 -0.74 0.12 0.00 0.01 0.00 0.00 42.46 41.19 2rj1 s ILE 256 CO 0.39 0.30 1.13 -2.84 0.00 0.00 0.00 174.94 173.92 2rj1 s PRO 257 N 1.68 1.36 0.59 2.79 0.02 -1.26 -4.61 135.00 135.58 2rj1 s PRO 257 Ca 0.02 1.45 0.35 0.00 0.02 0.00 0.00 61.00 62.85 2rj1 s PRO 257 Cb -0.13 -1.77 1.86 0.00 0.02 0.00 0.00 34.50 34.48 2rj1 s PRO 257 CO -0.05 -2.36 2.20 0.87 -0.33 0.00 0.00 177.00 177.33 2rj1 h LYS 258 N -1.65 0.00 -0.51 5.54 1.79 -1.96 -2.07 116.57 117.71 2rj1 h LYS 258 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2rj1 h LYS 258 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 2rj1 h LYS 258 CO 0.44 0.04 0.00 -0.40 -1.08 0.00 0.00 179.45 178.45 2rj1 n ASP 259 N -3.37 3.05 -4.46 0.86 5.75 -1.26 -4.18 116.55 112.93 2rj1 n ASP 259 Ca -0.02 -1.97 -0.25 0.00 -0.01 0.00 0.00 54.79 52.53 2rj1 n ASP 259 Cb 0.16 -0.34 -0.11 0.00 -1.03 0.00 0.00 41.12 39.81 2rj1 n ASP 259 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2rj1 s GLU 260 N -1.32 1.66 0.00 0.11 2.02 -0.78 -5.10 118.70 115.29 2rj1 s GLU 260 Ca 0.38 -1.61 0.00 0.00 0.02 0.00 0.00 54.97 53.77 2rj1 s GLU 260 Cb 0.20 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.58 2rj1 s GLU 260 CO 0.27 0.37 0.00 0.41 0.02 0.00 0.00 175.26 176.34 2rj1 n GLY 261 N -0.18 4.05 0.09 -1.39 0.00 -1.26 -4.80 105.19 101.70 2rj1 n GLY 261 Ca -0.09 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 2rj1 n GLY 261 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rj1 n ASP 262 N 0.00 1.87 -4.18 1.61 8.00 -1.26 -4.93 116.55 117.66 2rj1 n ASP 262 Ca 0.00 0.48 -0.11 0.00 0.71 0.00 0.00 54.79 55.87 2rj1 n ASP 262 Cb 0.00 -0.84 -0.10 0.00 -0.02 0.00 0.00 41.12 40.16 2rj1 n ASP 262 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2rj1 s PHE 263 N -2.49 1.06 -0.36 1.24 0.40 -1.26 -4.98 117.98 111.59 2rj1 s PHE 263 Ca -0.24 -1.33 -0.09 0.00 -0.60 0.00 0.00 56.93 54.68 2rj1 s PHE 263 Cb 0.05 -0.53 0.04 0.00 0.51 0.00 0.00 43.02 43.08 2rj1 s PHE 263 CO 0.37 -0.61 0.16 -0.47 0.70 0.00 0.00 175.22 175.37 2rj1 s TYR 264 N -4.13 3.25 0.18 0.36 5.04 -1.26 -5.03 117.35 115.77 2rj1 s TYR 264 Ca 0.34 -1.20 -0.12 0.00 -2.44 0.00 0.00 57.07 53.65 2rj1 s TYR 264 Cb 0.07 -2.39 -0.07 0.00 0.35 0.00 0.00 41.96 39.92 2rj1 s TYR 264 CO 0.09 -0.70 0.55 0.71 -1.34 0.00 0.00 175.55 174.86 2rj1 s TYR 265 N 1.48 3.53 -0.02 4.97 1.51 -1.26 -1.10 117.35 126.47 2rj1 s TYR 265 Ca 0.00 0.99 -0.28 0.00 -1.01 0.00 0.00 57.07 56.77 2rj1 s TYR 265 Cb -0.19 -2.33 -0.03 0.00 -0.11 0.00 0.00 41.96 39.29 2rj1 s TYR 265 CO 0.05 0.36 0.90 1.41 -1.11 0.00 0.00 175.55 177.16 2rj1 s MET 266 N -2.29 4.53 0.19 -0.62 1.75 0.27 -4.71 119.30 118.41 2rj1 s MET 266 Ca 0.42 1.26 0.18 0.00 -1.25 0.00 0.00 55.69 56.30 2rj1 s MET 266 Cb -0.13 -3.45 0.83 0.00 2.84 0.00 0.00 34.83 34.91 2rj1 s MET 266 CO 0.20 -0.01 1.56 0.41 -0.65 0.00 0.00 175.02 176.53 2rj1 n GLY 267 N 2.93 -1.03 0.37 2.11 0.00 -1.26 -3.29 105.19 105.03 2rj1 n GLY 267 Ca 0.04 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.26 2rj1 n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rj1 n ALA 268 N -1.68 2.58 -3.14 4.61 0.00 -1.26 -4.68 120.51 116.93 2rj1 n ALA 268 Ca 0.01 -0.39 0.04 0.00 0.00 0.00 0.00 53.44 53.10 2rj1 n ALA 268 Cb 0.14 -1.21 -0.00 0.00 0.00 0.00 0.00 19.45 18.38 2rj1 n ALA 268 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2rj1 s PHE 269 N -1.93 -1.35 0.23 0.00 5.99 -1.21 -2.00 117.98 117.71 2rj1 s PHE 269 Ca 0.36 0.72 -0.03 0.00 0.00 0.00 0.00 56.93 57.99 2rj1 s PHE 269 Cb 0.19 0.23 -0.03 0.00 0.00 0.00 0.00 43.02 43.41 2rj1 s PHE 269 CO 0.30 -0.80 0.23 -0.59 -0.00 0.00 0.00 175.22 174.36 2rj1 s PHE 270 N 2.75 1.06 -1.05 10.12 -0.12 -0.89 -3.52 117.98 126.32 2rj1 s PHE 270 Ca 0.16 -1.28 0.00 0.00 -0.05 0.00 0.00 56.93 55.77 2rj1 s PHE 270 Cb -0.06 -0.40 0.00 0.00 -0.63 0.00 0.00 43.02 41.92 2rj1 s PHE 270 CO -0.23 -0.76 0.00 0.41 -0.05 0.00 0.00 175.22 174.59 2rj1 n GLY 271 N -0.34 -1.10 0.00 1.99 0.00 -0.91 -0.34 105.19 104.49 2rj1 n GLY 271 Ca 0.02 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2rj1 n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rj1 n GLY 272 N 0.00 -0.25 3.73 -0.02 0.00 -0.32 -0.41 105.19 107.92 2rj1 n GLY 272 Ca 0.00 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 2rj1 n GLY 272 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rj1 s SER 273 N -4.00 4.00 0.20 1.61 1.04 -0.10 -0.57 113.70 115.87 2rj1 s SER 273 Ca 0.00 2.05 -0.11 0.00 0.48 0.00 0.00 55.95 58.36 2rj1 s SER 273 Cb 0.00 -2.55 0.23 0.00 0.10 0.00 0.00 66.02 63.80 2rj1 s SER 273 CO 0.00 -2.38 1.73 0.58 0.98 0.00 0.00 173.24 174.15 2rj1 h VAL 274 N -1.11 0.76 -0.35 5.02 2.07 -1.81 -0.08 116.25 120.75 2rj1 h VAL 274 Ca -0.44 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.01 2rj1 h VAL 274 Cb 1.25 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2rj1 h VAL 274 CO 0.48 0.06 0.09 -0.61 0.02 0.00 0.00 177.57 177.62 2rj1 h GLN 275 N 0.34 0.22 -0.21 1.57 4.15 -1.91 0.43 115.11 119.69 2rj1 h GLN 275 Ca 0.27 -0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.52 2rj1 h GLN 275 Cb 0.34 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2rj1 h GLN 275 CO -0.30 0.15 -0.54 0.93 -1.93 0.00 0.00 178.83 177.14 2rj1 h GLU 276 N 0.23 0.63 -0.50 1.69 4.39 -1.69 -1.14 114.58 118.19 2rj1 h GLU 276 Ca 0.16 -0.39 -0.13 0.00 0.34 0.00 0.00 59.36 59.35 2rj1 h GLU 276 Cb 0.16 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2rj1 h GLU 276 CO -0.19 1.00 -0.18 0.28 -1.16 0.00 0.00 179.01 178.77 2rj1 h VAL 277 N 0.48 1.27 -0.24 3.13 2.07 -0.73 -1.10 116.25 121.13 2rj1 h VAL 277 Ca 0.01 -1.34 -0.10 0.00 0.82 0.00 0.00 66.70 66.09 2rj1 h VAL 277 Cb 1.09 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2rj1 h VAL 277 CO 0.11 0.47 -0.30 1.56 0.02 0.00 0.00 177.57 179.42 2rj1 h GLN 278 N 0.86 0.48 -0.18 1.57 4.20 -0.84 0.15 115.11 121.35 2rj1 h GLN 278 Ca 0.12 -0.20 0.02 0.00 0.06 0.00 0.00 58.65 58.65 2rj1 h GLN 278 Cb 0.75 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 2rj1 h GLN 278 CO 0.06 0.73 0.07 0.00 -0.67 0.00 0.00 178.83 179.02 2rj1 h ARG 279 N 0.42 0.16 0.08 1.46 3.08 -1.01 -0.88 114.38 117.69 2rj1 h ARG 279 Ca 0.05 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 2rj1 h ARG 279 Cb 0.73 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2rj1 h ARG 279 CO 0.06 0.10 -0.04 1.25 -1.07 0.00 0.00 179.97 180.27 2rj1 h LEU 280 N 0.16 -0.09 -0.73 3.04 6.46 -0.90 -0.20 115.31 123.06 2rj1 h LEU 280 Ca 0.08 -0.10 -0.09 0.00 -0.12 0.00 0.00 57.88 57.64 2rj1 h LEU 280 Cb 0.04 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 2rj1 h LEU 280 CO -0.07 0.04 -0.05 0.71 -0.62 0.00 0.00 178.44 178.45 2rj1 h THR 281 N -0.23 1.26 -0.09 1.05 1.35 -0.95 -0.16 112.91 115.14 2rj1 h THR 281 Ca -0.01 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 2rj1 h THR 281 Cb 0.19 0.91 -0.00 0.00 -1.73 0.00 0.00 68.15 67.52 2rj1 h THR 281 CO 0.02 0.41 0.06 -0.09 -0.25 0.00 0.00 175.52 175.66 2rj1 h ARG 282 N 0.84 0.12 -0.48 4.72 2.43 -1.06 -0.33 114.38 120.62 2rj1 h ARG 282 Ca 0.15 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2rj1 h ARG 282 Cb 0.57 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2rj1 h ARG 282 CO 0.03 0.10 0.30 0.00 -1.51 0.00 0.00 179.97 178.89 2rj1 h ALA 283 N 1.01 0.62 -0.46 2.80 0.00 -0.71 -0.20 119.26 122.32 2rj1 h ALA 283 Ca 0.03 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2rj1 h ALA 283 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2rj1 h ALA 283 CO -0.01 0.10 -0.10 0.00 0.00 0.00 0.00 179.25 179.24 2rj1 h HIS 285 N 0.71 0.33 -0.60 0.00 6.17 -0.85 -0.30 115.15 120.62 2rj1 h HIS 285 Ca 0.12 0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.15 2rj1 h HIS 285 Cb 0.64 -0.11 -0.03 0.00 2.52 0.00 0.00 27.41 30.44 2rj1 h HIS 285 CO 0.05 0.21 0.17 1.96 0.71 0.00 0.00 177.93 181.03 2rj1 h GLN 286 N 0.36 0.92 -0.60 5.26 4.20 -0.90 -0.90 115.11 123.44 2rj1 h GLN 286 Ca 0.10 -0.18 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 2rj1 h GLN 286 Cb -0.04 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 2rj1 h GLN 286 CO -0.02 0.80 0.01 0.00 -0.67 0.00 0.00 178.83 178.95 2rj1 h ALA 287 N 1.30 0.88 -0.35 3.87 0.00 -0.99 -1.63 119.26 122.33 2rj1 h ALA 287 Ca 0.20 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2rj1 h ALA 287 Cb 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2rj1 h ALA 287 CO -0.01 0.66 -0.09 0.52 0.00 0.00 0.00 179.25 180.34 2rj1 h MET 288 N 0.96 0.60 -0.48 0.00 2.86 -0.56 -1.47 114.93 116.84 2rj1 h MET 288 Ca 0.17 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2rj1 h MET 288 Cb 0.54 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 2rj1 h MET 288 CO 0.03 0.69 0.11 0.52 1.06 0.00 0.00 176.91 179.32 2rj1 h MET 289 N 0.56 0.77 0.00 1.72 2.07 -0.73 -0.47 114.93 118.85 2rj1 h MET 289 Ca 0.10 -0.19 0.00 0.00 -2.07 0.00 0.00 59.70 57.55 2rj1 h MET 289 Cb 0.49 -0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 30.12 2rj1 h MET 289 CO 0.03 0.75 -0.01 0.28 1.07 0.00 0.00 176.91 179.03 2rj1 h VAL 290 N 0.65 0.97 -0.54 -2.22 2.07 -1.11 -1.10 116.25 114.97 2rj1 h VAL 290 Ca 0.15 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.75 2rj1 h VAL 290 Cb 0.33 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 2rj1 h VAL 290 CO 0.00 0.00 0.18 0.44 0.02 0.00 0.00 177.57 178.21 2rj1 h ASP 291 N -0.02 0.17 -0.59 0.57 3.45 -1.09 -1.21 116.42 117.70 2rj1 h ASP 291 Ca 0.01 0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.53 2rj1 h ASP 291 Cb 0.03 0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 38.83 2rj1 h ASP 291 CO -0.01 0.11 0.34 -0.61 -1.57 0.00 0.00 179.24 177.50 2rj1 h GLN 292 N 0.35 0.82 -0.32 3.56 4.15 -0.82 -0.58 115.11 122.27 2rj1 h GLN 292 Ca 0.27 -0.09 0.03 0.00 0.77 0.00 0.00 58.65 59.63 2rj1 h GLN 292 Cb 0.32 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 2rj1 h GLN 292 CO -0.28 0.62 0.22 0.00 -1.93 0.00 0.00 178.83 177.45 2rj1 h ALA 293 N 1.16 1.90 -0.25 3.38 0.00 -0.69 -1.83 119.26 122.93 2rj1 h ALA 293 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2rj1 h ALA 293 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2rj1 h ALA 293 CO -0.04 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.37 2rj1 n ASN 294 N -4.49 1.74 -3.62 0.00 5.03 -0.36 -4.95 115.26 108.62 2rj1 n ASN 294 Ca 0.03 -1.84 -0.24 0.00 0.87 0.00 0.00 54.58 53.40 2rj1 n ASN 294 Cb 0.15 -0.17 0.07 0.00 -1.02 0.00 0.00 39.78 38.82 2rj1 n ASN 294 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2rj1 n GLY 295 N 1.09 -0.51 3.02 7.41 0.00 -0.56 -5.02 105.19 110.63 2rj1 n GLY 295 Ca 0.14 0.22 -0.18 0.00 0.00 0.00 0.00 46.02 46.20 2rj1 n GLY 295 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2rj1 s ILE 296 N -3.33 0.67 -0.12 -0.61 2.07 -0.44 -5.02 121.20 114.42 2rj1 s ILE 296 Ca 0.50 -0.41 0.02 0.00 -1.41 0.00 0.00 60.65 59.34 2rj1 s ILE 296 Cb -0.22 -0.57 0.02 0.00 0.13 0.00 0.00 42.46 41.81 2rj1 s ILE 296 CO 0.75 0.16 -0.15 -0.70 -1.91 0.00 0.00 174.94 173.08 2rj1 s GLU 297 N -0.28 2.27 0.58 3.50 2.12 -1.26 -3.65 118.70 121.98 2rj1 s GLU 297 Ca 0.03 -0.57 -0.20 0.00 0.36 0.00 0.00 54.97 54.58 2rj1 s GLU 297 Cb -0.04 -1.95 -0.04 0.00 0.26 0.00 0.00 34.13 32.37 2rj1 s GLU 297 CO -0.00 -0.09 1.32 0.00 -0.54 0.00 0.00 175.26 175.95 2rj1 s ALA 298 N 1.06 2.65 0.27 6.30 0.00 -1.26 -4.89 121.76 125.89 2rj1 s ALA 298 Ca -0.05 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.17 2rj1 s ALA 298 Cb -0.15 -3.55 0.55 0.00 0.00 0.00 0.00 23.12 19.97 2rj1 s ALA 298 CO -0.03 -1.41 1.81 -0.24 0.00 0.00 0.00 175.76 175.89 2rj1 h VAL 299 N 1.10 0.86 -0.35 0.00 3.04 -1.94 -1.45 116.25 117.51 2rj1 h VAL 299 Ca -0.51 -0.30 -0.25 0.00 -1.01 0.00 0.00 66.70 64.63 2rj1 h VAL 299 Cb 1.31 -0.09 -0.19 0.00 -2.01 0.00 0.00 31.29 30.31 2rj1 h VAL 299 CO 0.56 0.16 -0.58 0.79 -1.01 0.00 0.00 177.57 177.49 2rj1 n TRP 300 N -4.70 1.28 -1.30 3.17 7.02 -1.26 -5.06 117.44 116.58 2rj1 n TRP 300 Ca 0.18 -1.84 0.00 0.00 -1.02 0.00 0.00 57.50 54.83 2rj1 n TRP 300 Cb 0.38 -0.33 0.00 0.00 -2.42 0.00 0.00 31.31 28.94 2rj1 n TRP 300 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 2rj1 n HIS 301 N -0.95 0.00 -0.02 -5.99 8.25 -0.55 -1.01 115.22 114.95 2rj1 n HIS 301 Ca 0.31 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.85 2rj1 n HIS 301 Cb 0.83 0.01 0.47 0.00 1.12 0.00 0.00 29.99 32.43 2rj1 n HIS 301 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 2rj1 h ASP 302 N 2.60 0.39 -0.34 0.41 3.04 -1.90 -2.04 116.42 118.59 2rj1 h ASP 302 Ca 0.00 -0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.73 2rj1 h ASP 302 Cb 0.00 -0.09 -0.02 0.00 -1.04 0.00 0.00 39.33 38.18 2rj1 h ASP 302 CO 0.00 0.26 0.03 -0.08 -2.04 0.00 0.00 179.24 177.41 2rj1 h GLU 303 N 0.45 0.68 -0.53 4.15 4.81 -1.45 0.69 114.58 123.38 2rj1 h GLU 303 Ca 0.20 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2rj1 h GLU 303 Cb 0.23 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2rj1 h GLU 303 CO -0.05 0.68 0.30 0.77 -0.73 0.00 0.00 179.01 179.98 2rj1 h SER 304 N 0.65 0.65 -0.32 1.04 0.02 -1.04 -0.87 113.55 113.68 2rj1 h SER 304 Ca 0.14 -0.08 -0.15 0.00 -0.84 0.00 0.00 61.79 60.86 2rj1 h SER 304 Cb 0.36 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 2rj1 h SER 304 CO 0.01 0.54 -0.38 0.45 -1.14 0.00 0.00 176.83 176.32 2rj1 h HIS 305 N 0.71 0.99 -0.62 3.45 3.86 -1.41 -1.94 115.15 120.19 2rj1 h HIS 305 Ca 0.19 -0.31 0.09 0.00 -1.16 0.00 0.00 60.37 59.18 2rj1 h HIS 305 Cb 0.03 -0.20 -0.07 0.00 1.06 0.00 0.00 27.41 28.22 2rj1 h HIS 305 CO -0.02 1.11 0.24 1.25 0.86 0.00 0.00 177.93 181.38 2rj1 h LEU 306 N 0.59 0.26 -0.68 2.43 5.85 -0.75 0.06 115.31 123.07 2rj1 h LEU 306 Ca 0.04 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2rj1 h LEU 306 Cb 0.97 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 2rj1 h LEU 306 CO 0.09 0.15 0.27 0.78 -0.34 0.00 0.00 178.44 179.40 2rj1 h ASN 307 N 0.43 0.94 -0.38 1.25 2.35 -0.93 -0.65 115.58 118.60 2rj1 h ASN 307 Ca 0.31 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2rj1 h ASN 307 Cb 0.37 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 2rj1 h ASN 307 CO -0.30 0.86 0.20 0.50 -1.65 0.00 0.00 177.43 177.04 2rj1 h LYS 308 N 0.97 0.54 -0.40 0.81 1.63 -0.87 -1.44 116.57 117.81 2rj1 h LYS 308 Ca 0.23 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.96 2rj1 h LYS 308 Cb 0.21 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 2rj1 h LYS 308 CO -0.02 0.46 0.25 -0.92 -3.45 0.00 0.00 179.45 175.77 2rj1 h TYR 309 N 0.48 0.52 0.00 1.91 3.20 -0.66 -2.43 116.97 119.99 2rj1 h TYR 309 Ca 0.13 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2rj1 h TYR 309 Cb 0.09 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.19 2rj1 h TYR 309 CO -0.02 0.36 0.00 -0.07 -1.64 0.00 0.00 178.16 176.79 2rj1 h LEU 310 N 0.53 0.00 -0.17 2.82 3.38 -1.04 0.17 115.31 121.00 2rj1 h LEU 310 Ca 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 2rj1 h LEU 310 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2rj1 h LEU 310 CO -0.03 0.00 -0.23 0.25 0.09 0.00 0.00 178.44 178.53 2rj1 h LEU 311 N 0.00 0.50 0.00 1.67 5.85 -0.80 -3.33 115.31 119.20 2rj1 h LEU 311 Ca 0.00 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2rj1 h LEU 311 Cb 0.62 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2rj1 h LEU 311 CO 0.00 0.91 -0.71 0.03 -0.34 0.00 0.00 178.44 178.32 2rj1 h ARG 312 N 0.10 0.00 -3.21 1.25 2.47 -1.01 -3.41 114.38 110.58 2rj1 h ARG 312 Ca 0.02 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.15 2rj1 h ARG 312 Cb 0.79 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 28.71 2rj1 h ARG 312 CO 0.05 0.00 -0.76 -1.01 0.56 0.00 0.00 179.97 178.81 2rj1 s HIS 313 N -3.18 1.61 0.19 3.04 3.76 0.57 -5.10 115.29 116.18 2rj1 s HIS 313 Ca 0.05 -1.91 -0.30 0.00 -0.15 0.00 0.00 55.06 52.75 2rj1 s HIS 313 Cb 0.13 -1.63 -0.09 0.00 1.11 0.00 0.00 32.58 32.10 2rj1 s HIS 313 CO 0.74 -0.84 1.39 0.15 -0.85 0.00 0.00 174.74 175.33 2rj1 s LYS 314 N 1.16 4.32 0.58 1.40 -0.14 -1.25 -4.28 119.74 121.52 2rj1 s LYS 314 Ca 0.13 2.17 -0.19 0.00 -1.36 0.00 0.00 55.97 56.72 2rj1 s LYS 314 Cb -0.20 -3.17 -0.04 0.00 -1.68 0.00 0.00 37.83 32.73 2rj1 s LYS 314 CO -0.14 -0.38 1.21 -1.25 -0.76 0.00 0.00 175.35 174.03 2rj1 s PRO 315 N 0.18 3.06 0.17 -1.68 0.04 -1.26 -4.94 135.00 130.56 2rj1 s PRO 315 Ca 0.60 1.83 0.25 0.00 0.04 0.00 0.00 61.00 63.72 2rj1 s PRO 315 Cb -0.39 -1.98 0.49 0.00 0.04 0.00 0.00 34.50 32.66 2rj1 s PRO 315 CO 0.37 -1.13 1.48 1.79 0.04 0.00 0.00 177.00 179.55 2rj1 h THR 316 N 1.00 0.00 -3.93 1.26 1.35 -0.41 -3.45 112.91 108.73 2rj1 h THR 316 Ca -0.50 -0.53 -0.13 0.00 -0.55 0.00 0.00 66.41 64.70 2rj1 h THR 316 Cb 1.29 1.27 -0.17 0.00 -1.73 0.00 0.00 68.15 68.81 2rj1 h THR 316 CO 0.56 0.00 -0.58 -0.54 -0.25 0.00 0.00 175.52 174.71 2rj1 s LYS 317 N -3.15 0.57 -0.06 4.72 1.02 -1.07 -3.99 119.74 117.78 2rj1 s LYS 317 Ca 0.08 -0.86 0.03 0.00 0.02 0.00 0.00 55.97 55.24 2rj1 s LYS 317 Cb 0.12 0.22 0.01 0.00 -0.52 0.00 0.00 37.83 37.66 2rj1 s LYS 317 CO 0.68 -0.13 -0.16 0.08 -0.92 0.00 0.00 175.35 174.90 2rj1 s VAL 318 N -2.85 1.40 0.07 3.17 1.01 -0.37 -3.29 120.40 119.53 2rj1 s VAL 318 Ca -0.03 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.09 2rj1 s VAL 318 Cb 0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 36.38 35.09 2rj1 s VAL 318 CO -0.06 0.41 0.61 -0.76 0.00 0.00 0.00 175.10 175.30 2rj1 s LEU 319 N 0.40 4.52 0.95 3.92 1.43 0.16 -0.53 118.68 129.53 2rj1 s LEU 319 Ca -0.12 1.30 -0.12 0.00 -1.03 0.00 0.00 54.13 54.16 2rj1 s LEU 319 Cb -0.15 -2.97 0.16 0.00 0.03 0.00 0.00 46.19 43.26 2rj1 s LEU 319 CO 0.04 0.23 1.10 -0.94 0.23 0.00 0.00 176.35 177.01 2rj1 s SER 320 N -0.91 3.08 0.00 2.29 1.04 -0.85 -0.79 113.70 117.56 2rj1 s SER 320 Ca 0.31 1.19 0.08 0.00 0.48 0.00 0.00 55.95 58.01 2rj1 s SER 320 Cb -0.20 -1.85 0.38 0.00 0.10 0.00 0.00 66.02 64.46 2rj1 s SER 320 CO 0.20 -2.84 1.16 -2.65 0.98 0.00 0.00 173.24 170.08 2rj1 n PRO 321 N -3.99 0.08 -0.23 4.02 -0.02 -1.26 -1.82 135.00 131.79 2rj1 n PRO 321 Ca 0.06 0.26 0.25 0.00 -2.02 0.00 0.00 63.50 62.04 2rj1 n PRO 321 Cb 0.57 -1.50 0.63 0.00 -0.02 0.00 0.00 33.50 33.18 2rj1 n PRO 321 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2rj1 h GLU 322 N 0.00 0.18 -0.00 -0.52 5.08 -1.90 -2.19 114.58 115.22 2rj1 h GLU 322 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2rj1 h GLU 322 Cb 0.09 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2rj1 h GLU 322 CO 0.00 0.12 -0.28 0.66 -1.00 0.00 0.00 179.01 178.51 2rj1 n TYR 323 N -4.39 0.00 -3.23 4.33 4.02 -0.75 -0.69 117.16 116.45 2rj1 n TYR 323 Ca 0.20 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 58.06 2rj1 n TYR 323 Cb 0.88 -0.25 -0.03 0.00 -0.02 0.00 0.00 39.34 39.92 2rj1 n TYR 323 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2rj1 s LEU 324 N -2.79 -1.20 0.18 7.72 2.96 -0.83 -4.45 118.68 120.28 2rj1 s LEU 324 Ca 0.18 -0.49 0.09 0.00 -0.22 0.00 0.00 54.13 53.68 2rj1 s LEU 324 Cb 0.19 1.60 -0.04 0.00 0.50 0.00 0.00 46.19 48.44 2rj1 s LEU 324 CO 0.59 -0.27 -0.17 0.86 -1.32 0.00 0.00 176.35 176.04 2rj1 s TRP 325 N 2.26 1.82 -0.27 5.38 -0.11 -0.60 -4.04 118.94 123.38 2rj1 s TRP 325 Ca 0.13 -0.49 -0.01 0.00 1.22 0.00 0.00 56.10 56.95 2rj1 s TRP 325 Cb -0.09 -0.88 0.08 0.00 -1.50 0.00 0.00 33.47 31.08 2rj1 s TRP 325 CO -0.18 0.36 0.06 0.34 -4.62 0.00 0.00 176.95 172.92 2rj1 s ASP 326 N -2.90 3.78 0.19 5.86 -1.08 -1.26 -0.71 116.67 120.55 2rj1 s ASP 326 Ca 0.18 -1.41 0.01 0.00 -0.52 0.00 0.00 52.55 50.82 2rj1 s ASP 326 Cb -0.04 -0.88 0.09 0.00 -1.46 0.00 0.00 42.92 40.62 2rj1 s ASP 326 CO 0.07 -0.36 1.45 -0.61 0.52 0.00 0.00 175.17 176.24 2rj1 h GLN 327 N 8.08 0.31 -0.29 4.34 4.15 -1.87 -0.06 115.11 129.77 2rj1 h GLN 327 Ca -0.14 -0.26 0.02 0.00 0.77 0.00 0.00 58.65 59.03 2rj1 h GLN 327 Cb 1.05 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 2rj1 h GLN 327 CO 0.43 0.92 0.15 0.37 -1.93 0.00 0.00 178.83 178.77 2rj1 h GLN 328 N 0.21 0.30 0.03 1.69 4.15 -1.92 0.90 115.11 120.47 2rj1 h GLN 328 Ca -0.03 -0.02 -0.25 0.00 0.77 0.00 0.00 58.65 59.12 2rj1 h GLN 328 Cb 1.31 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 28.94 2rj1 h GLN 328 CO 0.12 0.20 -1.04 1.25 -1.93 0.00 0.00 178.83 177.43 2rj1 h LEU 329 N 0.31 0.69 -0.59 -2.39 5.85 -1.97 -3.39 115.31 113.81 2rj1 h LEU 329 Ca 0.12 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2rj1 h LEU 329 Cb 0.03 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2rj1 h LEU 329 CO -0.08 1.38 0.00 0.18 -0.34 0.00 0.00 178.44 179.59 2rj1 n LEU 330 N -3.77 0.59 0.00 2.25 4.77 -0.05 -5.11 117.00 115.69 2rj1 n LEU 330 Ca -0.09 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 2rj1 n LEU 330 Cb 0.88 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 2rj1 n LEU 330 CO 0.54 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2rj1 n GLY 331 N 0.25 0.94 2.42 -0.72 0.00 0.30 -4.49 105.19 103.89 2rj1 n GLY 331 Ca 0.00 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 2rj1 n GLY 331 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2rj1 n TRP 332 N 8.22 -1.30 -1.08 1.61 -0.00 -1.26 -4.50 117.44 119.13 2rj1 n TRP 332 Ca 0.00 -3.05 -0.31 0.00 -0.00 0.00 0.00 57.50 54.14 2rj1 n TRP 332 Cb 0.00 0.39 0.12 0.00 -0.00 0.00 0.00 31.31 31.81 2rj1 n TRP 332 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 2rj1 s PRO 333 N 0.05 1.85 0.49 5.87 0.04 -1.26 -4.92 135.00 137.12 2rj1 s PRO 333 Ca 0.33 1.29 0.16 0.00 0.04 0.00 0.00 61.00 62.81 2rj1 s PRO 333 Cb 0.05 -1.84 1.17 0.00 0.04 0.00 0.00 34.50 33.92 2rj1 s PRO 333 CO -0.17 -1.97 2.07 0.00 0.04 0.00 0.00 177.00 176.97 2rj1 h ALA 334 N -1.37 2.05 0.00 8.56 0.00 -2.00 -2.10 119.26 124.39 2rj1 h ALA 334 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2rj1 h ALA 334 Cb 1.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2rj1 h ALA 334 CO 0.48 -0.10 0.00 -0.24 0.00 0.00 0.00 179.25 179.39 2rj1 h VAL 335 N 0.18 0.00 -3.59 0.00 3.04 -1.99 -3.40 116.25 110.48 2rj1 h VAL 335 Ca 0.13 -0.30 -0.70 0.00 -1.01 0.00 0.00 66.70 64.81 2rj1 h VAL 335 Cb 0.28 1.12 -0.21 0.00 -2.01 0.00 0.00 31.29 30.47 2rj1 h VAL 335 CO -0.02 0.00 -0.48 -0.76 -1.01 0.00 0.00 177.57 175.30 2rj1 s LEU 336 N -5.16 4.74 0.31 3.16 1.43 -0.79 -4.93 118.68 117.45 2rj1 s LEU 336 Ca 0.02 -0.75 0.18 0.00 -1.03 0.00 0.00 54.13 52.55 2rj1 s LEU 336 Cb 0.09 -2.10 0.14 0.00 0.03 0.00 0.00 46.19 44.34 2rj1 s LEU 336 CO 0.43 -0.35 1.42 0.03 0.23 0.00 0.00 176.35 178.12 2rj1 h ARG 337 N 8.51 0.00 -3.76 1.70 3.08 -1.86 -3.46 114.38 118.60 2rj1 h ARG 337 Ca -0.28 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.60 2rj1 h ARG 337 Cb 1.13 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.96 2rj1 h ARG 337 CO 0.68 0.29 -0.62 0.15 -1.07 0.00 0.00 179.97 179.39 2rj1 s LYS 338 N -3.07 0.32 -0.30 0.04 1.02 -1.26 -5.12 119.74 111.38 2rj1 s LYS 338 Ca 0.04 -0.42 -0.03 0.00 0.02 0.00 0.00 55.97 55.58 2rj1 s LYS 338 Cb 0.07 0.13 0.04 0.00 -0.52 0.00 0.00 37.83 37.55 2rj1 s LYS 338 CO 0.73 -0.06 0.01 -0.51 -0.92 0.00 0.00 175.35 174.60 2rj1 s LEU 339 N -1.18 3.89 -0.20 3.17 1.43 -1.26 -4.60 118.68 119.93 2rj1 s LEU 339 Ca -0.13 -1.19 -0.04 0.00 -1.03 0.00 0.00 54.13 51.74 2rj1 s LEU 339 Cb -0.08 -1.74 -0.20 0.00 0.03 0.00 0.00 46.19 44.20 2rj1 s LEU 339 CO 0.00 -0.26 0.02 0.54 0.23 0.00 0.00 176.35 176.88 2rj1 n ARG 340 N 4.67 0.68 -3.60 1.70 1.74 0.14 -3.80 116.66 118.19 2rj1 n ARG 340 Ca -0.13 0.23 -0.18 0.00 -0.77 0.00 0.00 57.85 56.99 2rj1 n ARG 340 Cb 0.44 -1.60 -0.15 0.00 -1.02 0.00 0.00 32.46 30.13 2rj1 n ARG 340 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2rj1 s PHE 341 N -2.52 -0.17 0.08 -1.55 5.99 -1.19 -0.19 117.98 118.42 2rj1 s PHE 341 Ca -0.30 0.37 0.05 0.00 0.00 0.00 0.00 56.93 57.05 2rj1 s PHE 341 Cb 0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 43.02 42.73 2rj1 s PHE 341 CO 0.66 -0.42 -0.15 0.95 -0.00 0.00 0.00 175.22 176.26 2rj1 s THR 342 N 2.29 1.18 0.32 0.12 -4.23 -0.12 -1.56 115.64 113.64 2rj1 s THR 342 Ca 0.04 -1.38 -0.29 0.00 -1.18 0.00 0.00 61.69 58.88 2rj1 s THR 342 Cb -0.14 -1.17 -0.11 0.00 1.34 0.00 0.00 72.50 72.43 2rj1 s THR 342 CO -0.08 -0.24 1.45 0.00 -0.54 0.00 0.00 174.62 175.20 2rj1 s ALA 343 N -1.38 3.60 -0.21 3.99 0.00 0.11 -1.14 121.76 126.73 2rj1 s ALA 343 Ca 0.00 1.43 -0.16 0.00 0.00 0.00 0.00 51.96 53.22 2rj1 s ALA 343 Cb -0.09 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 2rj1 s ALA 343 CO 0.02 -0.85 0.43 0.08 0.00 0.00 0.00 175.76 175.44 2rj1 s VAL 344 N -0.63 5.17 0.22 0.00 1.01 -0.52 -4.81 120.40 120.85 2rj1 s VAL 344 Ca 0.55 0.76 -0.31 0.00 0.00 0.00 0.00 61.98 62.98 2rj1 s VAL 344 Cb -0.44 -3.75 -0.14 0.00 0.00 0.00 0.00 36.38 32.05 2rj1 s VAL 344 CO 0.53 0.22 1.26 -2.65 0.00 0.00 0.00 175.10 174.46 2rj1 n PRO 345 N 4.64 1.62 -4.35 2.72 -0.02 -1.26 -4.83 135.00 133.51 2rj1 n PRO 345 Ca -0.07 0.57 -0.21 0.00 -2.02 0.00 0.00 63.50 61.77 2rj1 n PRO 345 Cb 0.51 -2.13 -0.13 0.00 -0.02 0.00 0.00 33.50 31.73 2rj1 n PRO 345 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2rj1 s LYS 346 N -0.58 1.00 -0.74 -0.52 1.02 -1.26 -5.09 119.74 113.57 2rj1 s LYS 346 Ca 0.69 -0.88 -0.19 0.00 0.02 0.00 0.00 55.97 55.61 2rj1 s LYS 346 Cb -0.73 -1.06 0.12 0.00 -0.52 0.00 0.00 37.83 35.64 2rj1 s LYS 346 CO 0.52 0.26 0.90 1.21 -0.92 0.00 0.00 175.35 177.32 2rj1 s ASN 347 N -1.37 6.40 0.16 2.83 3.84 -1.26 -4.97 114.94 120.56 2rj1 s ASN 347 Ca 0.02 -1.71 -0.24 0.00 0.21 0.00 0.00 52.86 51.14 2rj1 s ASN 347 Cb -0.09 -2.34 0.03 0.00 -0.55 0.00 0.00 41.25 38.30 2rj1 s ASN 347 CO 0.02 -1.09 1.60 0.45 -2.79 0.00 0.00 177.10 175.29 2rj1 h HIS 348 N 8.97 -0.92 -0.31 0.43 3.86 -1.98 -0.49 115.15 124.70 2rj1 h HIS 348 Ca -0.10 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 2rj1 h HIS 348 Cb 1.06 0.45 -0.01 0.00 1.06 0.00 0.00 27.41 29.96 2rj1 h HIS 348 CO 0.99 -0.39 0.16 0.37 0.86 0.00 0.00 177.93 179.92 2rj1 h GLN 349 N -0.30 0.45 0.04 2.45 5.75 -1.98 -1.94 115.11 119.58 2rj1 h GLN 349 Ca 0.15 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.58 2rj1 h GLN 349 Cb 0.54 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.01 2rj1 h GLN 349 CO -0.48 0.41 -0.02 0.00 -2.65 0.00 0.00 178.83 176.09 2rj1 h ALA 350 N 1.01 -0.05 0.00 3.38 0.00 -1.79 -3.14 119.26 118.66 2rj1 h ALA 350 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2rj1 h ALA 350 Cb 0.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2rj1 h ALA 350 CO -0.01 -0.47 0.00 -0.24 0.00 0.00 0.00 179.25 178.52 2rj1 h VAL 351 N -0.17 0.00 -0.01 0.00 3.04 -1.04 -3.11 116.25 114.96 2rj1 h VAL 351 Ca -0.01 -0.67 0.00 0.00 -1.01 0.00 0.00 66.70 65.01 2rj1 h VAL 351 Cb 0.15 1.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.10 2rj1 h VAL 351 CO 0.01 0.00 -0.33 0.54 -1.01 0.00 0.00 177.57 176.78 2rj1 n ARG 352 N -3.08 0.81 -4.18 4.17 1.74 -0.74 -4.48 116.66 110.91 2rj1 n ARG 352 Ca 0.02 -0.52 -0.14 0.00 -0.77 0.00 0.00 57.85 56.43 2rj1 n ARG 352 Cb 0.38 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.23 2rj1 n ARG 352 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2rj1 s ASN 353 N -2.55 1.45 0.00 0.55 0.01 -1.17 -4.60 114.94 108.62 2rj1 s ASN 353 Ca 0.22 -0.84 0.00 0.00 -0.71 0.00 0.00 52.86 51.53 2rj1 s ASN 353 Cb 0.19 0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.86 2rj1 s ASN 353 CO 0.55 -0.28 0.31 -2.65 -1.51 0.00 0.00 177.10 173.51