#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jc3 n ASN 2 N 0.00 1.60 -4.95 6.12 0.23 -1.26 -4.94 115.26 112.05 2jc3 n ASN 2 Ca 0.00 -2.83 -0.23 0.00 -0.53 0.00 0.00 54.58 51.00 2jc3 n ASN 2 Cb 0.00 -0.37 0.02 0.00 -2.08 0.00 0.00 39.78 37.34 2jc3 n ASN 2 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2jc3 s THR 3 N -2.01 2.03 0.54 5.53 -4.23 -1.26 -4.99 115.64 111.26 2jc3 s THR 3 Ca 0.24 -1.26 0.27 0.00 -1.18 0.00 0.00 61.69 59.76 2jc3 s THR 3 Cb 0.22 -2.29 0.41 0.00 1.34 0.00 0.00 72.50 72.17 2jc3 s THR 3 CO 0.00 0.00 1.97 0.25 -0.54 0.00 0.00 174.62 176.30 2jc3 h LEU 4 N 0.56 0.00 -1.83 4.79 5.85 -1.99 -0.79 115.31 121.90 2jc3 h LEU 4 Ca -0.35 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.47 2jc3 h LEU 4 Cb 1.29 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 2jc3 h LEU 4 CO 0.50 0.00 0.32 -0.08 -0.34 0.00 0.00 178.44 178.84 2jc3 h GLU 5 N 0.00 0.18 0.00 1.25 4.81 -1.99 0.60 114.58 119.44 2jc3 h GLU 5 Ca 0.27 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2jc3 h GLU 5 Cb 1.14 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2jc3 h GLU 5 CO -0.00 0.12 0.00 1.04 -0.73 0.00 0.00 179.01 179.44 2jc3 n GLN 6 N -4.45 0.39 -0.19 1.92 3.00 -0.30 -2.77 117.38 114.98 2jc3 n GLN 6 Ca 0.07 0.03 0.09 0.00 -0.01 0.00 0.00 57.00 57.18 2jc3 n GLN 6 Cb 0.40 -1.50 0.25 0.00 0.00 0.00 0.00 30.24 29.39 2jc3 n GLN 6 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2jc3 n THR 7 N -1.28 0.51 -3.43 5.09 -2.24 0.20 -4.88 114.28 108.26 2jc3 n THR 7 Ca 0.13 -0.56 -0.38 0.00 -2.27 0.00 0.00 64.05 60.96 2jc3 n THR 7 Cb 0.21 0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.78 2jc3 n THR 7 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2jc3 s ILE 8 N -1.49 5.02 0.00 2.28 1.01 -1.11 -4.24 121.20 122.66 2jc3 s ILE 8 Ca 0.32 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.89 2jc3 s ILE 8 Cb 0.17 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.88 2jc3 s ILE 8 CO 0.23 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.30 2jc3 n GLY 9 N 2.15 -2.32 3.83 6.18 0.00 -1.26 -4.96 105.19 108.81 2jc3 n GLY 9 Ca -0.12 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 2jc3 n GLY 9 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jc3 n ASN 10 N -0.32 -2.48 -4.85 1.61 3.02 -1.26 -4.95 115.26 106.03 2jc3 n ASN 10 Ca 0.00 -0.83 -0.32 0.00 -0.03 0.00 0.00 54.58 53.40 2jc3 n ASN 10 Cb 0.00 -3.83 -0.04 0.00 -0.61 0.00 0.00 39.78 35.30 2jc3 n ASN 10 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2jc3 s THR 11 N -3.56 4.59 0.63 3.41 -4.23 -1.26 -5.03 115.64 110.19 2jc3 s THR 11 Ca 0.27 1.09 -0.17 0.00 -1.18 0.00 0.00 61.69 61.70 2jc3 s THR 11 Cb -0.14 -3.71 -0.02 0.00 1.34 0.00 0.00 72.50 69.98 2jc3 s THR 11 CO 0.83 -0.61 1.16 -2.16 -0.54 0.00 0.00 174.62 173.31 2jc3 s PRO 12 N -3.91 2.85 -0.27 3.99 0.04 -1.26 -4.74 135.00 131.69 2jc3 s PRO 12 Ca 0.57 1.63 0.03 0.00 0.04 0.00 0.00 61.00 63.27 2jc3 s PRO 12 Cb -0.10 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.57 2jc3 s PRO 12 CO 0.29 -1.25 -0.06 -1.17 0.04 0.00 0.00 177.00 174.85 2jc3 s LEU 13 N -4.46 3.51 0.18 -3.56 2.96 -1.26 -0.79 118.68 115.27 2jc3 s LEU 13 Ca 0.72 -1.51 0.10 0.00 -0.22 0.00 0.00 54.13 53.22 2jc3 s LEU 13 Cb -0.25 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 2jc3 s LEU 13 CO 0.36 -0.24 -0.14 0.68 -1.32 0.00 0.00 176.35 175.69 2jc3 s VAL 14 N 1.13 2.93 -0.08 1.68 -7.23 -0.70 -4.90 120.40 113.23 2jc3 s VAL 14 Ca -0.04 -1.77 -0.14 0.00 -1.81 0.00 0.00 61.98 58.22 2jc3 s VAL 14 Cb -0.20 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 2jc3 s VAL 14 CO -0.06 -0.11 0.34 -0.75 -0.31 0.00 0.00 175.10 174.20 2jc3 s LYS 15 N -2.77 3.98 0.27 4.82 2.20 -1.26 -0.01 119.74 126.96 2jc3 s LYS 15 Ca 0.24 0.23 -0.29 0.00 -0.36 0.00 0.00 55.97 55.78 2jc3 s LYS 15 Cb -0.09 -3.30 -0.09 0.00 -1.51 0.00 0.00 37.83 32.84 2jc3 s LYS 15 CO 0.13 0.52 1.21 -0.51 -0.36 0.00 0.00 175.35 176.34 2jc3 s LEU 16 N -0.45 4.48 -0.11 5.43 1.43 -0.45 -4.95 118.68 124.07 2jc3 s LEU 16 Ca 0.20 2.40 0.18 0.00 -1.03 0.00 0.00 54.13 55.88 2jc3 s LEU 16 Cb -0.15 -3.63 -0.24 0.00 0.03 0.00 0.00 46.19 42.20 2jc3 s LEU 16 CO 0.09 -0.35 0.34 0.00 0.23 0.00 0.00 176.35 176.65 2jc3 n GLN 17 N 1.53 0.67 -0.02 1.70 6.02 -1.26 -4.81 117.38 121.20 2jc3 n GLN 17 Ca 0.01 0.04 -0.03 0.00 -0.01 0.00 0.00 57.00 57.02 2jc3 n GLN 17 Cb 0.44 -1.61 -0.01 0.00 1.02 0.00 0.00 30.24 30.08 2jc3 n GLN 17 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jc3 n ARG 18 N -2.74 0.07 -1.61 -1.09 1.74 -1.26 -5.06 116.66 106.71 2jc3 n ARG 18 Ca -0.23 0.02 -0.31 0.00 -0.77 0.00 0.00 57.85 56.57 2jc3 n ARG 18 Cb 1.00 -0.82 0.05 0.00 -1.02 0.00 0.00 32.46 31.67 2jc3 n ARG 18 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2jc3 s ILE 19 N -2.06 3.98 0.00 0.55 -4.36 -1.26 -4.93 121.20 113.11 2jc3 s ILE 19 Ca -0.04 0.64 0.00 0.00 -0.26 0.00 0.00 60.65 60.99 2jc3 s ILE 19 Cb 0.01 -3.42 0.00 0.00 1.25 0.00 0.00 42.46 40.31 2jc3 s ILE 19 CO 0.06 -0.84 0.00 0.61 0.24 0.00 0.00 174.94 175.02 2jc3 n GLY 20 N -2.11 2.29 3.74 6.27 0.00 -1.26 -4.97 105.19 109.15 2jc3 n GLY 20 Ca 0.07 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 2jc3 n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jc3 s PRO 21 N -4.22 2.66 -1.00 1.61 0.04 -1.26 -4.95 135.00 127.88 2jc3 s PRO 21 Ca 0.00 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 2jc3 s PRO 21 Cb 0.00 -1.89 0.26 0.00 0.04 0.00 0.00 34.50 32.92 2jc3 s PRO 21 CO 0.00 -1.46 2.07 -3.47 0.04 0.00 0.00 177.00 174.18 2jc3 n ASP 22 N -1.98 7.46 -0.71 6.66 2.03 -1.26 -4.54 116.55 124.21 2jc3 n ASP 22 Ca 0.14 -3.57 0.04 0.00 0.52 0.00 0.00 54.79 51.92 2jc3 n ASP 22 Cb 0.49 -1.19 0.20 0.00 -0.72 0.00 0.00 41.12 39.90 2jc3 n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2jc3 n ASN 23 N 0.28 2.21 0.00 1.67 2.04 -1.26 -4.94 115.26 115.26 2jc3 n ASN 23 Ca 0.52 -3.67 0.00 0.00 -0.44 0.00 0.00 54.58 50.99 2jc3 n ASN 23 Cb 0.28 -0.55 0.00 0.00 -2.53 0.00 0.00 39.78 36.98 2jc3 n ASN 23 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2jc3 n GLY 24 N -1.13 2.34 3.84 4.83 0.00 -1.26 -2.28 105.19 111.53 2jc3 n GLY 24 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 2jc3 n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jc3 s SER 25 N -3.18 6.64 0.05 1.61 1.04 -1.26 -4.04 113.70 114.56 2jc3 s SER 25 Ca 0.00 1.57 0.08 0.00 0.48 0.00 0.00 55.95 58.07 2jc3 s SER 25 Cb 0.00 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 2jc3 s SER 25 CO 0.00 -0.57 -0.21 -1.61 0.98 0.00 0.00 173.24 171.82 2jc3 s GLU 26 N -4.02 1.40 -0.20 4.02 2.02 0.00 -4.88 118.70 117.04 2jc3 s GLU 26 Ca 0.59 -1.00 0.01 0.00 0.02 0.00 0.00 54.97 54.59 2jc3 s GLU 26 Cb -0.10 -1.55 0.04 0.00 0.10 0.00 0.00 34.13 32.62 2jc3 s GLU 26 CO 0.30 0.39 -0.12 0.42 0.02 0.00 0.00 175.26 176.28 2jc3 s ILE 27 N -0.85 1.73 -0.08 -1.63 1.01 -1.26 -1.14 121.20 118.97 2jc3 s ILE 27 Ca 0.08 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 2jc3 s ILE 27 Cb -0.09 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 2jc3 s ILE 27 CO 0.02 0.23 -0.04 0.26 0.00 0.00 0.00 174.94 175.42 2jc3 s TRP 28 N 1.37 3.04 -0.10 3.97 0.52 0.11 -1.33 118.94 126.51 2jc3 s TRP 28 Ca -0.00 0.06 0.02 0.00 0.02 0.00 0.00 56.10 56.19 2jc3 s TRP 28 Cb -0.16 -1.77 -0.02 0.00 -1.15 0.00 0.00 33.47 30.38 2jc3 s TRP 28 CO -0.09 0.35 -0.15 0.14 0.02 0.00 0.00 176.95 177.22 2jc3 s VAL 29 N -0.72 2.89 -0.39 4.03 -7.23 0.98 -0.78 120.40 119.17 2jc3 s VAL 29 Ca 0.11 -0.74 -0.22 0.00 -1.81 0.00 0.00 61.98 59.32 2jc3 s VAL 29 Cb -0.11 -2.18 0.01 0.00 0.56 0.00 0.00 36.38 34.66 2jc3 s VAL 29 CO 0.02 0.55 0.74 -0.75 -0.31 0.00 0.00 175.10 175.34 2jc3 s LYS 30 N 0.08 3.59 -1.33 4.82 2.47 -0.35 -1.72 119.74 127.30 2jc3 s LYS 30 Ca -0.06 0.07 -0.13 0.00 -1.56 0.00 0.00 55.97 54.28 2jc3 s LYS 30 Cb -0.15 -3.86 0.11 0.00 -1.46 0.00 0.00 37.83 32.47 2jc3 s LYS 30 CO 0.05 -0.91 1.89 1.28 0.16 0.00 0.00 175.35 177.81 2jc3 n LEU 31 N 6.40 6.16 0.17 5.43 4.77 0.03 -1.00 117.00 138.96 2jc3 n LEU 31 Ca 0.01 -4.32 0.12 0.00 -0.03 0.00 0.00 56.01 51.80 2jc3 n LEU 31 Cb 0.48 -1.61 0.62 0.00 -2.33 0.00 0.00 43.42 40.58 2jc3 n LEU 31 CO 0.54 0.95 0.87 -0.33 -1.33 0.00 0.00 177.39 178.09 2jc3 h GLU 32 N 6.40 0.00 0.00 3.23 4.39 -1.45 -1.09 114.58 126.06 2jc3 h GLU 32 Ca 0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.15 2jc3 h GLU 32 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2jc3 h GLU 32 CO 1.61 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 179.87 2jc3 n GLY 33 N -0.97 -0.88 0.12 -3.84 0.00 -1.25 -2.02 105.19 96.35 2jc3 n GLY 33 Ca -0.01 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.07 2jc3 n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jc3 n ASN 34 N -1.35 0.80 -4.66 1.61 4.13 -0.41 -4.15 115.26 111.22 2jc3 n ASN 34 Ca 0.06 0.61 -0.37 0.00 1.68 0.00 0.00 54.58 56.56 2jc3 n ASN 34 Cb 0.14 -0.81 0.07 0.00 -1.54 0.00 0.00 39.78 37.64 2jc3 n ASN 34 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jc3 n ASN 35 N -2.28 1.26 -0.33 6.41 4.13 -0.86 -4.86 115.26 118.74 2jc3 n ASN 35 Ca 0.05 0.78 0.17 0.00 1.68 0.00 0.00 54.58 57.26 2jc3 n ASN 35 Cb 0.38 -1.47 0.37 0.00 -1.54 0.00 0.00 39.78 37.52 2jc3 n ASN 35 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2jc3 h PRO 36 N 0.31 0.43 -0.63 3.52 0.13 -1.88 0.09 132.00 133.98 2jc3 h PRO 36 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2jc3 h PRO 36 Cb 1.35 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2jc3 h PRO 36 CO 0.51 0.29 0.00 0.00 -0.23 0.00 0.00 178.00 178.56 2jc3 n ALA 37 N -2.40 2.85 -0.93 -0.56 0.00 -1.26 -4.96 120.51 113.25 2jc3 n ALA 37 Ca 0.26 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.44 2jc3 n ALA 37 Cb 0.76 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2jc3 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jc3 n GLY 38 N 1.14 0.48 3.48 0.00 0.00 0.02 -4.86 105.19 105.45 2jc3 n GLY 38 Ca 0.21 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 2jc3 n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jc3 s SER 39 N -2.43 -0.31 0.67 1.61 1.04 -1.22 -3.31 113.70 109.74 2jc3 s SER 39 Ca 0.00 -0.37 0.39 0.00 0.48 0.00 0.00 55.95 56.45 2jc3 s SER 39 Cb 0.00 0.57 2.11 0.00 0.10 0.00 0.00 66.02 68.80 2jc3 s SER 39 CO 0.00 -1.02 2.20 1.62 0.98 0.00 0.00 173.24 177.02 2jc3 h VAL 40 N 2.18 0.02 0.00 5.02 3.04 -1.18 -2.44 116.25 122.89 2jc3 h VAL 40 Ca -0.30 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.37 2jc3 h VAL 40 Cb 1.27 0.87 -0.00 0.00 -2.01 0.00 0.00 31.29 31.42 2jc3 h VAL 40 CO 0.38 0.00 -0.07 0.11 -1.01 0.00 0.00 177.57 176.98 2jc3 h LYS 41 N 0.00 0.00 -0.81 4.17 1.79 -1.90 -2.44 116.57 117.38 2jc3 h LYS 41 Ca 0.00 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.62 2jc3 h LYS 41 Cb 0.27 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.86 2jc3 h LYS 41 CO -0.00 0.07 0.53 -0.44 -1.08 0.00 0.00 179.45 178.54 2jc3 h ASP 42 N 0.00 0.50 0.34 0.86 5.19 -1.78 -0.86 116.42 120.68 2jc3 h ASP 42 Ca -0.00 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 2jc3 h ASP 42 Cb 0.35 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.79 2jc3 h ASP 42 CO 0.01 0.26 -0.16 0.03 -3.12 0.00 0.00 179.24 176.26 2jc3 h ARG 43 N 0.54 -0.44 -0.16 3.56 3.08 -1.68 -1.73 114.38 117.54 2jc3 h ARG 43 Ca 0.40 0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.41 2jc3 h ARG 43 Cb 0.78 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 2jc3 h ARG 43 CO -0.15 -0.15 -0.21 0.00 -1.07 0.00 0.00 179.97 178.39 2jc3 h ALA 44 N -0.19 1.36 -0.42 0.04 0.00 -1.65 -1.42 119.26 116.97 2jc3 h ALA 44 Ca -0.05 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2jc3 h ALA 44 Cb 0.50 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2jc3 h ALA 44 CO 0.08 0.44 0.02 0.00 0.00 0.00 0.00 179.25 179.79 2jc3 h ALA 45 N 1.54 0.57 -0.28 0.00 0.00 -1.12 0.56 119.26 120.53 2jc3 h ALA 45 Ca 0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2jc3 h ALA 45 Cb 0.52 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2jc3 h ALA 45 CO 0.03 0.34 0.02 1.25 0.00 0.00 0.00 179.25 180.89 2jc3 h LEU 46 N 0.57 0.46 -0.20 0.00 5.85 -1.02 -2.73 115.31 118.25 2jc3 h LEU 46 Ca 0.12 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2jc3 h LEU 46 Cb 0.46 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2jc3 h LEU 46 CO 0.02 0.64 0.13 -1.28 -0.34 0.00 0.00 178.44 177.61 2jc3 h SER 47 N 0.27 0.23 -0.93 1.25 0.87 -1.12 0.28 113.55 114.39 2jc3 h SER 47 Ca 0.08 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2jc3 h SER 47 Cb 0.39 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.25 2jc3 h SER 47 CO 0.01 0.17 0.61 0.24 -0.53 0.00 0.00 176.83 177.33 2jc3 h MET 48 N 0.27 1.24 -0.03 2.24 2.86 -0.88 -0.01 114.93 120.61 2jc3 h MET 48 Ca 0.07 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 2jc3 h MET 48 Cb -0.03 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.36 2jc3 h MET 48 CO -0.02 0.83 -0.22 0.82 1.06 0.00 0.00 176.91 179.39 2jc3 h ILE 49 N 1.27 1.49 -0.50 -1.22 2.04 -1.15 -2.34 117.51 117.10 2jc3 h ILE 49 Ca 0.34 -1.75 -0.00 0.00 1.00 0.00 0.00 64.86 64.45 2jc3 h ILE 49 Cb -0.13 2.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 2jc3 h ILE 49 CO -0.07 0.48 0.30 0.58 0.00 0.00 0.00 178.15 179.44 2jc3 h VAL 50 N -0.39 1.15 -0.18 1.67 2.07 -0.34 -0.42 116.25 119.81 2jc3 h VAL 50 Ca -0.02 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 2jc3 h VAL 50 Cb 0.90 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2jc3 h VAL 50 CO 0.04 0.16 -0.26 -0.33 0.02 0.00 0.00 177.57 177.20 2jc3 h GLU 51 N 0.67 0.34 -0.26 1.57 4.39 -1.07 -0.72 114.58 119.50 2jc3 h GLU 51 Ca 0.18 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.65 2jc3 h GLU 51 Cb -0.01 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2jc3 h GLU 51 CO -0.03 0.58 -0.30 0.00 -1.16 0.00 0.00 179.01 178.10 2jc3 h ALA 52 N 1.43 1.01 -0.21 3.43 0.00 -0.89 -1.97 119.26 122.06 2jc3 h ALA 52 Ca 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2jc3 h ALA 52 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2jc3 h ALA 52 CO 0.04 0.59 0.02 0.93 0.00 0.00 0.00 179.25 180.83 2jc3 h GLU 53 N 0.45 0.36 -0.96 0.00 5.08 -0.48 -1.58 114.58 117.45 2jc3 h GLU 53 Ca 0.06 -0.11 0.15 0.00 -1.00 0.00 0.00 59.36 58.46 2jc3 h GLU 53 Cb 0.75 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.88 2jc3 h GLU 53 CO 0.06 0.53 0.61 0.87 -1.00 0.00 0.00 179.01 180.08 2jc3 h LYS 54 N 0.14 0.78 -0.00 2.33 1.57 -0.74 0.15 116.57 120.80 2jc3 h LYS 54 Ca 0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2jc3 h LYS 54 Cb 0.36 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2jc3 h LYS 54 CO 0.01 0.52 0.00 0.54 -0.57 0.00 0.00 179.45 179.94 2jc3 n ARG 55 N -4.62 1.03 -1.04 3.15 1.74 -0.78 -4.90 116.66 111.25 2jc3 n ARG 55 Ca 0.19 -0.05 -0.01 0.00 -0.77 0.00 0.00 57.85 57.21 2jc3 n ARG 55 Cb 0.46 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.42 2jc3 n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jc3 n GLY 56 N 0.99 0.43 0.16 -0.13 0.00 0.52 -4.90 105.19 102.25 2jc3 n GLY 56 Ca 0.23 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.15 2jc3 n GLY 56 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jc3 h GLU 57 N 0.54 0.00 -3.96 1.61 5.08 -1.50 -3.46 114.58 112.90 2jc3 h GLU 57 Ca -0.02 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2jc3 h GLU 57 Cb 0.37 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.46 2jc3 h GLU 57 CO 0.04 0.52 -0.55 0.96 -1.00 0.00 0.00 179.01 178.97 2jc3 s ILE 58 N -3.45 0.16 0.02 3.13 -4.36 -1.22 -5.02 121.20 110.46 2jc3 s ILE 58 Ca 0.00 -1.34 0.00 0.00 -0.26 0.00 0.00 60.65 59.06 2jc3 s ILE 58 Cb 0.11 -1.16 -0.02 0.00 1.25 0.00 0.00 42.46 42.64 2jc3 s ILE 58 CO 0.73 -0.74 -0.04 -0.54 0.24 0.00 0.00 174.94 174.60 2jc3 s LYS 59 N -3.24 0.33 0.30 0.37 -0.14 -1.26 -4.47 119.74 111.63 2jc3 s LYS 59 Ca 0.00 -0.60 -0.28 0.00 -1.36 0.00 0.00 55.97 53.74 2jc3 s LYS 59 Cb 0.03 0.04 -0.14 0.00 -1.68 0.00 0.00 37.83 36.08 2jc3 s LYS 59 CO -0.08 -0.03 0.97 -2.30 -0.76 0.00 0.00 175.35 173.15 2jc3 n PRO 60 N 1.66 1.26 0.00 -1.68 -0.02 -1.26 -1.80 135.00 133.16 2jc3 n PRO 60 Ca -0.23 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2jc3 n PRO 60 Cb 0.55 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 2jc3 n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jc3 n GLY 61 N 1.27 2.40 3.68 -1.23 0.00 0.60 -4.99 105.19 106.91 2jc3 n GLY 61 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2jc3 n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jc3 s ASP 62 N -0.39 2.89 -0.12 1.61 -0.00 -0.75 -4.51 116.67 115.40 2jc3 s ASP 62 Ca 0.00 1.44 -0.11 0.00 -0.00 0.00 0.00 52.55 53.88 2jc3 s ASP 62 Cb 0.00 -2.11 -0.05 0.00 -0.00 0.00 0.00 42.92 40.76 2jc3 s ASP 62 CO 0.00 -3.00 0.23 -0.69 -0.00 0.00 0.00 175.17 171.71 2jc3 s VAL 63 N -2.87 5.35 -0.01 -1.27 1.01 -1.26 -1.14 120.40 120.21 2jc3 s VAL 63 Ca 0.65 0.42 0.07 0.00 0.00 0.00 0.00 61.98 63.11 2jc3 s VAL 63 Cb -0.19 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2jc3 s VAL 63 CO 0.58 0.52 -0.21 -0.76 0.00 0.00 0.00 175.10 175.23 2jc3 s LEU 64 N -0.39 2.37 -0.03 3.92 1.02 0.29 -1.46 118.68 124.40 2jc3 s LEU 64 Ca 0.16 -0.40 0.03 0.00 0.02 0.00 0.00 54.13 53.94 2jc3 s LEU 64 Cb -0.13 -1.43 -0.00 0.00 0.02 0.00 0.00 46.19 44.65 2jc3 s LEU 64 CO 0.05 0.31 -0.12 -0.63 0.02 0.00 0.00 176.35 175.97 2jc3 s ILE 65 N -0.73 1.02 -0.20 -0.59 1.01 0.99 -0.39 121.20 122.31 2jc3 s ILE 65 Ca 0.12 -0.50 -0.23 0.00 0.00 0.00 0.00 60.65 60.03 2jc3 s ILE 65 Cb -0.10 -0.88 0.06 0.00 0.01 0.00 0.00 42.46 41.54 2jc3 s ILE 65 CO 0.01 0.30 0.62 -0.70 0.00 0.00 0.00 174.94 175.17 2jc3 s GLU 66 N 0.05 0.78 -0.32 2.79 2.56 -0.88 -2.18 118.70 121.50 2jc3 s GLU 66 Ca -0.02 0.72 -0.15 0.00 0.00 0.00 0.00 54.97 55.53 2jc3 s GLU 66 Cb -0.09 0.38 -0.02 0.00 2.00 0.00 0.00 34.13 36.40 2jc3 s GLU 66 CO 0.01 -0.13 0.34 0.00 -0.56 0.00 0.00 175.26 174.92 2jc3 s ALA 67 N 0.01 3.51 0.00 6.30 0.00 -1.26 -1.22 121.76 129.10 2jc3 s ALA 67 Ca -0.02 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2jc3 s ALA 67 Cb -0.04 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.33 2jc3 s ALA 67 CO 0.02 -0.94 0.00 -2.37 0.00 0.00 0.00 175.76 172.48 2jc3 n THR 68 N 5.19 0.00 -1.88 0.00 5.66 -0.44 -4.91 114.28 117.91 2jc3 n THR 68 Ca -0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 2jc3 n THR 68 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 2jc3 n THR 68 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2jc3 n SER 69 N 0.00 0.00 0.00 1.09 3.41 -1.26 -4.34 113.62 112.51 2jc3 n SER 69 Ca 0.00 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.37 2jc3 n SER 69 Cb 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2jc3 n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jc3 n GLY 70 N 0.00 3.26 0.26 5.00 0.00 -1.26 -4.82 105.19 107.63 2jc3 n GLY 70 Ca 0.00 -1.74 0.01 0.00 0.00 0.00 0.00 46.02 44.29 2jc3 n GLY 70 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jc3 h ASN 71 N 0.00 0.45 -0.64 1.61 2.35 -1.99 -0.61 115.58 116.75 2jc3 h ASN 71 Ca 0.00 0.06 0.11 0.00 -0.55 0.00 0.00 56.30 55.91 2jc3 h ASN 71 Cb 0.00 -0.02 -0.08 0.00 0.05 0.00 0.00 38.32 38.27 2jc3 h ASN 71 CO 0.00 0.27 0.23 0.74 -1.65 0.00 0.00 177.43 177.01 2jc3 h THR 72 N 0.60 0.72 -0.63 2.81 2.02 -1.93 0.62 112.91 117.12 2jc3 h THR 72 Ca 0.34 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 67.32 2jc3 h THR 72 Cb 0.34 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 2jc3 h THR 72 CO -0.26 0.07 0.15 1.23 0.37 0.00 0.00 175.52 177.09 2jc3 h GLY 73 N 0.40 1.08 0.82 2.16 0.00 -1.46 0.83 103.07 106.89 2jc3 h GLY 73 Ca 0.33 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2jc3 h GLY 73 CO -0.34 0.63 0.02 -2.22 0.00 0.00 0.00 176.54 174.63 2jc3 h ILE 74 N 0.92 1.18 -0.29 2.60 2.04 0.05 -0.18 117.51 123.84 2jc3 h ILE 74 Ca 0.20 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.55 2jc3 h ILE 74 Cb 0.36 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 2jc3 h ILE 74 CO 0.00 0.15 0.14 0.00 0.00 0.00 0.00 178.15 178.44 2jc3 h ALA 75 N 0.82 0.34 -0.62 1.87 0.00 0.35 -0.33 119.26 121.69 2jc3 h ALA 75 Ca 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2jc3 h ALA 75 Cb 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2jc3 h ALA 75 CO -0.00 -0.25 0.24 -0.07 0.00 0.00 0.00 179.25 179.16 2jc3 h LEU 76 N 0.29 0.87 -0.81 0.00 3.38 -0.76 -0.15 115.31 118.13 2jc3 h LEU 76 Ca 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2jc3 h LEU 76 Cb 0.05 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2jc3 h LEU 76 CO -0.09 0.81 0.44 0.00 0.09 0.00 0.00 178.44 179.70 2jc3 h ALA 77 N 1.09 1.04 -0.04 1.53 0.00 -0.68 -0.37 119.26 121.83 2jc3 h ALA 77 Ca 0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2jc3 h ALA 77 Cb 0.23 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2jc3 h ALA 77 CO -0.01 0.54 0.01 1.98 0.00 0.00 0.00 179.25 181.77 2jc3 h MET 78 N 1.12 0.06 -0.65 0.00 1.85 -0.57 -1.38 114.93 115.36 2jc3 h MET 78 Ca 0.28 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.36 2jc3 h MET 78 Cb 0.03 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.02 2jc3 h MET 78 CO -0.05 0.25 0.39 0.82 -0.40 0.00 0.00 176.91 177.92 2jc3 h ILE 79 N -0.14 1.19 -0.62 1.77 1.08 -0.81 0.51 117.51 120.49 2jc3 h ILE 79 Ca 0.01 -0.42 -0.09 0.00 -0.39 0.00 0.00 64.86 63.97 2jc3 h ILE 79 Cb 0.21 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.21 2jc3 h ILE 79 CO -0.00 0.20 0.02 0.00 -0.69 0.00 0.00 178.15 177.68 2jc3 h ALA 80 N 1.53 0.85 -0.10 1.87 0.00 -0.83 0.23 119.26 122.81 2jc3 h ALA 80 Ca 0.24 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2jc3 h ALA 80 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2jc3 h ALA 80 CO -0.04 0.67 -0.51 0.00 0.00 0.00 0.00 179.25 179.37 2jc3 h ALA 81 N 1.01 0.95 0.06 0.00 0.00 -0.66 0.81 119.26 121.43 2jc3 h ALA 81 Ca 0.18 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2jc3 h ALA 81 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jc3 h ALA 81 CO 0.03 0.66 -0.03 1.25 0.00 0.00 0.00 179.25 181.16 2jc3 h LEU 82 N 0.22 -0.07 -0.70 0.00 5.85 -0.41 -3.32 115.31 116.87 2jc3 h LEU 82 Ca 0.01 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2jc3 h LEU 82 Cb 0.97 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2jc3 h LEU 82 CO 0.08 0.44 -0.14 0.29 -0.34 0.00 0.00 178.44 178.77 2jc3 n LYS 83 N -4.88 1.21 -1.83 1.25 5.02 0.78 -4.99 118.16 114.72 2jc3 n LYS 83 Ca -0.09 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.50 2jc3 n LYS 83 Cb 0.26 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 2jc3 n LYS 83 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jc3 n GLY 84 N 1.27 0.91 3.56 0.72 0.00 -0.01 -4.77 105.19 106.86 2jc3 n GLY 84 Ca 0.15 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 2jc3 n GLY 84 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jc3 s TYR 85 N -2.72 2.57 -0.44 1.61 2.02 0.07 -0.29 117.35 120.17 2jc3 s TYR 85 Ca 0.00 -0.25 -0.18 0.00 -0.37 0.00 0.00 57.07 56.27 2jc3 s TYR 85 Cb 0.00 -1.21 0.03 0.00 -0.40 0.00 0.00 41.96 40.38 2jc3 s TYR 85 CO 0.00 0.57 0.50 1.03 -1.57 0.00 0.00 175.55 176.08 2jc3 s ARG 86 N -3.12 3.12 -0.06 -0.62 0.52 -0.29 -4.46 118.95 114.04 2jc3 s ARG 86 Ca 0.27 -0.75 -0.16 0.00 -0.52 0.00 0.00 55.73 54.56 2jc3 s ARG 86 Cb -0.08 -4.00 -0.05 0.00 0.52 0.00 0.00 34.95 31.34 2jc3 s ARG 86 CO 0.16 -0.96 0.43 1.41 0.02 0.00 0.00 175.30 176.36 2jc3 s MET 87 N 2.31 4.12 -0.16 3.54 1.75 -1.26 -0.55 119.30 129.05 2jc3 s MET 87 Ca 0.14 0.41 0.00 0.00 -1.25 0.00 0.00 55.69 54.99 2jc3 s MET 87 Cb -0.17 -3.32 0.03 0.00 2.84 0.00 0.00 34.83 34.20 2jc3 s MET 87 CO 0.14 0.45 -0.13 0.15 -0.65 0.00 0.00 175.02 174.98 2jc3 s LYS 88 N -0.31 2.21 -0.15 4.11 1.02 0.48 -1.14 119.74 125.96 2jc3 s LYS 88 Ca 0.24 -0.62 -0.01 0.00 0.02 0.00 0.00 55.97 55.60 2jc3 s LYS 88 Cb -0.16 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 34.97 2jc3 s LYS 88 CO 0.11 -0.29 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.63 2jc3 s LEU 89 N 1.47 2.67 -0.18 3.17 1.43 -0.15 -2.07 118.68 125.02 2jc3 s LEU 89 Ca 0.03 -0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 52.67 2jc3 s LEU 89 Cb -0.14 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2jc3 s LEU 89 CO -0.10 0.11 0.09 -0.76 0.23 0.00 0.00 176.35 175.91 2jc3 s LEU 90 N 0.70 3.99 0.17 1.79 1.02 -0.36 -0.95 118.68 125.04 2jc3 s LEU 90 Ca -0.06 0.18 -0.22 0.00 0.02 0.00 0.00 54.13 54.05 2jc3 s LEU 90 Cb -0.15 -2.01 0.06 0.00 0.02 0.00 0.00 46.19 44.11 2jc3 s LEU 90 CO 0.02 0.21 0.58 0.00 0.02 0.00 0.00 176.35 177.19 2jc3 s MET 91 N 0.14 1.30 0.54 1.70 0.23 -0.85 -1.33 119.30 121.03 2jc3 s MET 91 Ca 0.06 -0.55 -0.20 0.00 -1.03 0.00 0.00 55.69 53.97 2jc3 s MET 91 Cb -0.12 0.58 -0.06 0.00 -1.53 0.00 0.00 34.83 33.70 2jc3 s MET 91 CO -0.00 -0.57 1.15 -1.25 -2.03 0.00 0.00 175.02 172.33 2jc3 s PRO 92 N -3.77 3.34 0.00 3.16 0.04 -1.26 -1.41 135.00 135.09 2jc3 s PRO 92 Ca 0.02 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2jc3 s PRO 92 Cb -0.01 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2jc3 s PRO 92 CO -0.11 -0.88 0.37 -0.40 0.04 0.00 0.00 177.00 176.02 2jc3 n ASP 93 N -1.23 0.03 -1.62 6.66 3.85 -0.10 -3.61 116.55 120.53 2jc3 n ASP 93 Ca 0.11 -0.77 -0.14 0.00 -0.71 0.00 0.00 54.79 53.28 2jc3 n ASP 93 Cb 0.50 -0.02 0.17 0.00 -1.35 0.00 0.00 41.12 40.42 2jc3 n ASP 93 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 2jc3 n ASN 94 N -0.43 3.46 -4.80 -1.12 0.23 -1.26 -4.94 115.26 106.40 2jc3 n ASN 94 Ca 0.00 -3.75 -0.38 0.00 -0.53 0.00 0.00 54.58 49.92 2jc3 n ASN 94 Cb 0.01 -0.70 -0.06 0.00 -2.08 0.00 0.00 39.78 36.95 2jc3 n ASN 94 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 2jc3 s MET 95 N -3.35 4.16 1.05 -3.83 -1.94 -1.24 -5.05 119.30 109.11 2jc3 s MET 95 Ca 0.50 0.62 -0.15 0.00 -1.71 0.00 0.00 55.69 54.95 2jc3 s MET 95 Cb 0.44 -3.27 0.11 0.00 2.01 0.00 0.00 34.83 34.12 2jc3 s MET 95 CO 0.03 0.56 0.40 -1.13 -0.01 0.00 0.00 175.02 174.86 2jc3 n SER 96 N 2.12 -1.93 0.13 3.03 3.41 -1.26 -4.79 113.62 114.33 2jc3 n SER 96 Ca -0.10 0.08 -0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2jc3 n SER 96 Cb 0.51 -1.14 0.14 0.00 -0.26 0.00 0.00 64.21 63.47 2jc3 n SER 96 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2jc3 h GLN 97 N -1.98 0.00 -0.05 4.33 1.08 -1.99 -2.65 115.11 113.85 2jc3 h GLN 97 Ca -0.50 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.46 2jc3 h GLN 97 Cb 1.32 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.76 2jc3 h GLN 97 CO 0.39 0.62 -0.92 0.93 -0.95 0.00 0.00 178.83 178.90 2jc3 h GLU 98 N 0.00 0.63 -0.81 1.46 5.08 -1.98 -1.12 114.58 117.83 2jc3 h GLU 98 Ca -0.01 -0.61 -0.04 0.00 -1.00 0.00 0.00 59.36 57.70 2jc3 h GLU 98 Cb 1.20 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.57 2jc3 h GLU 98 CO 0.08 1.22 0.36 -0.09 -1.00 0.00 0.00 179.01 179.58 2jc3 h ARG 99 N 0.38 1.19 0.00 2.33 2.43 -1.89 -1.98 114.38 116.84 2jc3 h ARG 99 Ca -0.09 -0.20 -0.13 0.00 -0.81 0.00 0.00 59.98 58.75 2jc3 h ARG 99 Cb 1.56 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.88 2jc3 h ARG 99 CO 0.18 0.94 -0.71 0.07 -1.51 0.00 0.00 179.97 178.93 2jc3 h ARG 100 N 1.16 0.00 -0.21 0.20 0.11 -1.45 -3.19 114.38 111.00 2jc3 h ARG 100 Ca 0.27 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.29 2jc3 h ARG 100 Cb 0.17 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.24 2jc3 h ARG 100 CO -0.03 0.55 -0.14 0.00 0.10 0.00 0.00 179.97 180.45 2jc3 h ALA 101 N 1.41 1.36 -0.09 0.08 0.00 -0.80 0.01 119.26 121.24 2jc3 h ALA 101 Ca -0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jc3 h ALA 101 Cb 1.48 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2jc3 h ALA 101 CO 0.07 0.43 0.05 0.00 0.00 0.00 0.00 179.25 179.81 2jc3 h ALA 102 N 1.52 1.93 0.09 0.00 0.00 -1.35 -0.39 119.26 121.05 2jc3 h ALA 102 Ca 0.06 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.60 2jc3 h ALA 102 Cb 0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2jc3 h ALA 102 CO 0.03 0.07 -2.09 -1.33 0.00 0.00 0.00 179.25 175.92 2jc3 n MET 103 N -4.52 0.73 0.21 0.00 2.81 -0.85 -4.22 117.12 111.28 2jc3 n MET 103 Ca -0.02 0.23 0.05 0.00 -1.81 0.00 0.00 57.70 56.16 2jc3 n MET 103 Cb 0.09 -1.67 0.49 0.00 -0.71 0.00 0.00 33.22 31.42 2jc3 n MET 103 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jc3 h ARG 104 N 0.05 0.03 -0.98 0.03 3.08 -0.80 -2.60 114.38 113.19 2jc3 h ARG 104 Ca -0.45 -0.01 0.19 0.00 0.07 0.00 0.00 59.98 59.78 2jc3 h ARG 104 Cb 2.01 -0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.96 2jc3 h ARG 104 CO 0.05 0.20 0.61 0.00 -1.07 0.00 0.00 179.97 179.77 2jc3 h ALA 105 N 1.80 1.82 -0.02 0.04 0.00 -1.24 0.33 119.26 121.99 2jc3 h ALA 105 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jc3 h ALA 105 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jc3 h ALA 105 CO 0.02 -0.16 0.00 0.66 0.00 0.00 0.00 179.25 179.78 2jc3 n TYR 106 N -4.67 0.02 -0.55 0.00 4.02 -0.98 -4.89 117.16 110.11 2jc3 n TYR 106 Ca 0.22 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 2jc3 n TYR 106 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.91 2jc3 n TYR 106 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jc3 n GLY 107 N 0.93 0.71 3.81 2.72 0.00 0.12 -4.59 105.19 108.88 2jc3 n GLY 107 Ca 0.18 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2jc3 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jc3 s ALA 108 N -2.00 2.88 -0.21 4.61 0.00 -1.23 -4.80 121.76 121.02 2jc3 s ALA 108 Ca 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 2jc3 s ALA 108 Cb 0.00 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 2jc3 s ALA 108 CO 0.00 -0.39 0.19 -2.00 0.00 0.00 0.00 175.76 173.57 2jc3 s GLU 109 N -3.57 4.16 -0.21 0.00 2.12 -0.29 -4.59 118.70 116.32 2jc3 s GLU 109 Ca 0.64 -0.14 -0.10 0.00 0.36 0.00 0.00 54.97 55.74 2jc3 s GLU 109 Cb -0.14 -3.47 -0.05 0.00 0.26 0.00 0.00 34.13 30.73 2jc3 s GLU 109 CO 0.25 0.18 0.12 -0.51 -0.54 0.00 0.00 175.26 174.76 2jc3 s LEU 110 N 0.70 4.09 -0.21 2.70 1.43 -1.26 -0.98 118.68 125.15 2jc3 s LEU 110 Ca 0.10 0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.33 2jc3 s LEU 110 Cb -0.13 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 2jc3 s LEU 110 CO 0.02 0.14 -0.06 -0.63 0.23 0.00 0.00 176.35 176.06 2jc3 s ILE 111 N 0.58 3.34 0.01 -0.59 1.01 -0.13 -4.95 121.20 120.46 2jc3 s ILE 111 Ca 0.07 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 2jc3 s ILE 111 Cb -0.12 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 2jc3 s ILE 111 CO 0.00 0.44 0.27 -0.76 0.00 0.00 0.00 174.94 174.89 2jc3 s LEU 112 N 1.29 4.37 0.52 2.97 1.43 -1.26 -2.02 118.68 125.98 2jc3 s LEU 112 Ca 0.03 0.55 0.04 0.00 -1.03 0.00 0.00 54.13 53.72 2jc3 s LEU 112 Cb -0.14 -2.70 0.01 0.00 0.03 0.00 0.00 46.19 43.38 2jc3 s LEU 112 CO -0.02 0.24 0.19 0.68 0.23 0.00 0.00 176.35 177.67 2jc3 s VAL 113 N -1.32 1.47 0.53 -1.59 -7.23 -0.50 -4.92 120.40 106.84 2jc3 s VAL 113 Ca 0.28 -1.76 -0.15 0.00 -1.81 0.00 0.00 61.98 58.55 2jc3 s VAL 113 Cb -0.13 -2.23 -0.07 0.00 0.56 0.00 0.00 36.38 34.51 2jc3 s VAL 113 CO 0.17 0.00 0.98 0.42 -0.31 0.00 0.00 175.10 176.36 2jc3 s THR 114 N -2.81 4.59 0.33 5.32 -4.23 -1.26 -0.93 115.64 116.64 2jc3 s THR 114 Ca 0.21 1.11 0.07 0.00 -1.18 0.00 0.00 61.69 61.90 2jc3 s THR 114 Cb 0.00 -3.75 0.31 0.00 1.34 0.00 0.00 72.50 70.40 2jc3 s THR 114 CO 0.12 -0.77 1.83 0.50 -0.54 0.00 0.00 174.62 175.76 2jc3 h LYS 115 N 0.69 0.74 0.02 3.99 3.64 -1.92 0.14 116.57 123.88 2jc3 h LYS 115 Ca -0.46 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2jc3 h LYS 115 Cb 1.19 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2jc3 h LYS 115 CO 0.62 0.49 -0.01 0.93 -2.27 0.00 0.00 179.45 179.21 2jc3 h GLU 116 N 0.76 -0.03 -0.85 1.90 3.07 -2.02 -2.64 114.58 114.77 2jc3 h GLU 116 Ca 0.51 0.00 0.13 0.00 -0.50 0.00 0.00 59.36 59.49 2jc3 h GLU 116 Cb 0.77 0.01 -0.09 0.00 -0.84 0.00 0.00 28.75 28.60 2jc3 h GLU 116 CO -0.27 0.26 0.46 1.96 -1.40 0.00 0.00 179.01 180.02 2jc3 h GLN 117 N -0.33 0.69 0.00 2.33 4.20 -1.61 -3.47 115.11 116.92 2jc3 h GLN 117 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2jc3 h GLN 117 Cb 0.31 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2jc3 h GLN 117 CO 0.01 0.46 0.00 0.41 -0.67 0.00 0.00 178.83 179.03 2jc3 n GLY 118 N -1.32 0.05 0.28 3.46 0.00 0.38 -1.49 105.19 106.55 2jc3 n GLY 118 Ca 0.16 -0.97 -0.06 0.00 0.00 0.00 0.00 46.02 45.16 2jc3 n GLY 118 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2jc3 h MET 119 N 0.00 0.95 -0.33 1.61 2.86 -1.89 -0.94 114.93 117.18 2jc3 h MET 119 Ca 0.00 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 2jc3 h MET 119 Cb 0.00 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 2jc3 h MET 119 CO 0.00 0.69 -0.07 1.49 1.06 0.00 0.00 176.91 180.08 2jc3 h GLU 120 N 0.94 0.55 0.02 1.72 4.57 -1.97 0.64 114.58 121.05 2jc3 h GLU 120 Ca 0.25 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2jc3 h GLU 120 Cb -0.00 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 2jc3 h GLU 120 CO -0.04 0.62 -0.01 0.78 -1.18 0.00 0.00 179.01 179.18 2jc3 h GLY 121 N 0.90 -0.02 0.59 1.92 0.00 -0.59 -1.26 103.07 104.61 2jc3 h GLY 121 Ca 0.10 0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.52 2jc3 h GLY 121 CO 0.02 -0.01 0.41 0.00 0.00 0.00 0.00 176.54 176.96 2jc3 h ALA 122 N 0.88 1.01 -0.29 3.60 0.00 -0.52 0.74 119.26 124.67 2jc3 h ALA 122 Ca -0.00 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2jc3 h ALA 122 Cb 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2jc3 h ALA 122 CO 0.00 0.05 0.12 0.00 0.00 0.00 0.00 179.25 179.43 2jc3 h ARG 123 N 0.71 0.26 -0.38 0.00 2.47 -0.52 -0.75 114.38 116.17 2jc3 h ARG 123 Ca 0.34 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 2jc3 h ARG 123 Cb 0.28 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 2jc3 h ARG 123 CO -0.22 0.17 0.24 -0.44 0.56 0.00 0.00 179.97 180.28 2jc3 h ASP 124 N 0.26 0.44 -0.50 7.04 3.45 -0.21 -1.03 116.42 125.88 2jc3 h ASP 124 Ca 0.12 -0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.51 2jc3 h ASP 124 Cb 0.07 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 38.70 2jc3 h ASP 124 CO -0.10 0.34 0.17 0.25 -1.57 0.00 0.00 179.24 178.33 2jc3 h LEU 125 N 0.50 0.75 -0.37 1.55 5.85 -0.61 0.52 115.31 123.51 2jc3 h LEU 125 Ca 0.14 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2jc3 h LEU 125 Cb -0.03 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2jc3 h LEU 125 CO -0.03 0.71 -0.01 0.00 -0.34 0.00 0.00 178.44 178.78 2jc3 h ALA 126 N 1.39 0.50 -0.47 1.25 0.00 -0.72 -0.16 119.26 121.05 2jc3 h ALA 126 Ca 0.18 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2jc3 h ALA 126 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jc3 h ALA 126 CO -0.01 0.27 0.19 1.25 0.00 0.00 0.00 179.25 180.95 2jc3 h LEU 127 N 0.47 0.65 0.00 0.00 5.85 -0.77 -0.42 115.31 121.09 2jc3 h LEU 127 Ca 0.10 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2jc3 h LEU 127 Cb 0.47 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2jc3 h LEU 127 CO 0.02 0.64 -0.05 0.00 -0.34 0.00 0.00 178.44 178.71 2jc3 h ALA 128 N 1.04 -0.05 -0.81 1.25 0.00 -0.76 0.11 119.26 120.04 2jc3 h ALA 128 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.16 2jc3 h ALA 128 Cb 0.19 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 2jc3 h ALA 128 CO -0.01 -0.54 0.47 0.52 0.00 0.00 0.00 179.25 179.68 2jc3 h MET 129 N -0.09 0.79 -0.49 0.00 2.86 -0.83 0.88 114.93 118.05 2jc3 h MET 129 Ca 0.02 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 2jc3 h MET 129 Cb 0.11 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2jc3 h MET 129 CO -0.05 0.52 -0.03 0.66 1.06 0.00 0.00 176.91 179.07 2jc3 h SER 130 N 0.81 0.82 -0.59 1.22 4.64 -0.51 -0.24 113.55 119.71 2jc3 h SER 130 Ca 0.38 -0.22 0.02 0.00 -0.47 0.00 0.00 61.79 61.51 2jc3 h SER 130 Cb 0.31 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.14 2jc3 h SER 130 CO -0.23 0.90 0.37 -0.33 -0.87 0.00 0.00 176.83 176.67 2jc3 h GLU 131 N 0.78 0.71 0.00 4.77 4.39 0.15 -0.51 114.58 124.86 2jc3 h GLU 131 Ca 0.14 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2jc3 h GLU 131 Cb 0.51 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2jc3 h GLU 131 CO 0.03 0.47 0.00 0.54 -1.16 0.00 0.00 179.01 178.89 2jc3 n ARG 132 N -4.73 0.76 -2.51 2.33 1.74 -0.14 -4.83 116.66 109.29 2jc3 n ARG 132 Ca 0.05 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.00 2jc3 n ARG 132 Cb 0.06 -1.03 0.01 0.00 -1.02 0.00 0.00 32.46 30.48 2jc3 n ARG 132 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jc3 n GLY 133 N 0.28 -0.09 0.04 -0.13 0.00 -0.20 -4.93 105.19 100.15 2jc3 n GLY 133 Ca 0.01 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.87 2jc3 n GLY 133 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jc3 n GLU 134 N -2.50 0.14 0.00 1.61 1.02 -0.13 -5.00 120.64 115.79 2jc3 n GLU 134 Ca -0.10 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2jc3 n GLU 134 Cb 0.59 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 2jc3 n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jc3 n GLY 135 N 1.42 0.64 3.70 0.62 0.00 -1.26 -4.78 105.19 105.52 2jc3 n GLY 135 Ca 0.05 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 2jc3 n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jc3 s LYS 136 N -2.00 4.38 0.01 1.61 2.36 -0.54 -4.45 119.74 121.11 2jc3 s LYS 136 Ca 0.00 0.86 -0.21 0.00 -2.55 0.00 0.00 55.97 54.06 2jc3 s LYS 136 Cb 0.00 -3.49 -0.05 0.00 -1.05 0.00 0.00 37.83 33.24 2jc3 s LYS 136 CO 0.00 -0.05 0.63 -1.17 1.55 0.00 0.00 175.35 176.30 2jc3 s LEU 137 N 1.21 4.43 -0.12 5.43 2.96 -1.26 -0.01 118.68 131.31 2jc3 s LEU 137 Ca 0.36 1.22 -0.15 0.00 -0.22 0.00 0.00 54.13 55.34 2jc3 s LEU 137 Cb -0.17 -2.98 -0.26 0.00 0.50 0.00 0.00 46.19 43.28 2jc3 s LEU 137 CO 0.16 0.10 0.47 -0.07 -1.32 0.00 0.00 176.35 175.68 2jc3 h LEU 138 N 5.58 0.32 -2.62 -0.68 3.38 -1.85 -3.48 115.31 115.97 2jc3 h LEU 138 Ca -0.45 -0.82 -0.10 0.00 0.09 0.00 0.00 57.88 56.60 2jc3 h LEU 138 Cb 1.20 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2jc3 h LEU 138 CO 0.69 1.64 -0.41 -0.67 0.09 0.00 0.00 178.44 179.78 2jc3 n ASP 139 N -3.93 -7.28 -0.06 -0.43 4.64 -1.26 -4.45 116.55 103.78 2jc3 n ASP 139 Ca -0.27 0.01 0.22 0.00 -1.38 0.00 0.00 54.79 53.36 2jc3 n ASP 139 Cb 0.89 -4.56 0.68 0.00 -1.04 0.00 0.00 41.12 37.08 2jc3 n ASP 139 CO 0.00 0.00 0.00 0.06 -0.82 0.00 0.00 177.20 176.44 2jc3 h GLN 140 N 1.02 0.04 0.00 -0.67 3.07 -1.96 0.44 115.11 117.05 2jc3 h GLN 140 Ca -0.13 -0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.59 2jc3 h GLN 140 Cb 1.09 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.64 2jc3 h GLN 140 CO 0.27 0.03 -0.07 0.74 0.09 0.00 0.00 178.83 179.89 2jc3 h PHE 141 N 0.05 0.00 0.00 0.06 0.04 -1.91 -3.36 116.94 111.81 2jc3 h PHE 141 Ca 0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.08 2jc3 h PHE 141 Cb 1.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.31 2jc3 h PHE 141 CO -0.00 0.06 -0.31 0.09 -0.60 0.00 0.00 178.31 177.56 2jc3 n ASN 142 N -3.11 1.20 -4.63 2.17 3.02 -0.64 -2.12 115.26 111.15 2jc3 n ASN 142 Ca 0.04 -0.40 -0.43 0.00 -0.03 0.00 0.00 54.58 53.76 2jc3 n ASN 142 Cb 0.56 1.01 -0.02 0.00 -0.61 0.00 0.00 39.78 40.72 2jc3 n ASN 142 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2jc3 s ASN 143 N -1.37 6.43 0.59 6.41 3.84 0.05 -4.60 114.94 126.29 2jc3 s ASN 143 Ca 0.00 1.45 0.36 0.00 0.21 0.00 0.00 52.86 54.88 2jc3 s ASN 143 Cb 0.01 -2.53 1.94 0.00 -0.55 0.00 0.00 41.25 40.12 2jc3 s ASN 143 CO 0.05 -1.24 2.09 -0.65 -2.79 0.00 0.00 177.10 174.56 2jc3 h PRO 144 N 10.45 0.00 0.00 0.43 0.11 -1.93 -1.67 132.00 139.38 2jc3 h PRO 144 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2jc3 h PRO 144 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jc3 h PRO 144 CO 1.02 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 178.37 2jc3 h ASP 145 N 0.00 0.00 0.30 -2.05 3.45 -1.93 -2.28 116.42 113.91 2jc3 h ASP 145 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 2jc3 h ASP 145 Cb 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 2jc3 h ASP 145 CO 0.00 0.00 -0.14 -1.13 -1.57 0.00 0.00 179.24 176.40 2jc3 h ASN 146 N 0.00 -0.34 0.24 6.45 -0.73 -1.58 -2.90 115.58 116.73 2jc3 h ASN 146 Ca 0.00 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.16 2jc3 h ASN 146 Cb 0.52 0.09 -0.00 0.00 0.27 0.00 0.00 38.32 39.19 2jc3 h ASN 146 CO 0.00 -0.12 -0.10 1.55 -0.37 0.00 0.00 177.43 178.39 2jc3 h PRO 147 N -0.64 0.00 -0.84 6.67 0.13 -1.72 -2.51 132.00 133.08 2jc3 h PRO 147 Ca -0.04 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.14 2jc3 h PRO 147 Cb 0.30 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.38 2jc3 h PRO 147 CO 0.07 0.10 0.55 -0.92 -0.23 0.00 0.00 178.00 177.56 2jc3 h TYR 148 N 0.00 0.97 -0.94 1.56 3.20 -1.41 -1.02 116.97 119.32 2jc3 h TYR 148 Ca -0.00 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2jc3 h TYR 148 Cb 0.24 -0.32 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 2jc3 h TYR 148 CO 0.00 0.53 0.57 0.00 -1.64 0.00 0.00 178.16 177.62 2jc3 h ALA 149 N 1.53 1.19 0.00 1.82 0.00 -1.23 -2.26 119.26 120.32 2jc3 h ALA 149 Ca 0.35 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 2jc3 h ALA 149 Cb 0.16 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2jc3 h ALA 149 CO -0.12 0.64 -0.57 0.45 0.00 0.00 0.00 179.25 179.64 2jc3 h HIS 150 N 1.29 0.00 -0.15 0.00 3.86 -1.37 0.57 115.15 119.36 2jc3 h HIS 150 Ca 0.34 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.42 2jc3 h HIS 150 Cb -0.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 2jc3 h HIS 150 CO 0.00 0.57 -0.45 -0.92 0.86 0.00 0.00 177.93 178.00 2jc3 h TYR 151 N 0.00 0.42 0.00 2.45 3.20 -0.89 0.22 116.97 122.37 2jc3 h TYR 151 Ca -0.01 -0.13 -0.07 0.00 3.14 0.00 0.00 58.73 61.67 2jc3 h TYR 151 Cb 1.25 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 2jc3 h TYR 151 CO 0.00 0.74 -2.02 0.25 -1.64 0.00 0.00 178.16 175.49 2jc3 n THR 152 N -4.00 0.29 0.03 1.81 -2.24 -0.88 -4.43 114.28 104.87 2jc3 n THR 152 Ca -0.02 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2jc3 n THR 152 Cb 0.52 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 2jc3 n THR 152 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jc3 n THR 153 N -2.37 0.75 0.03 4.28 -2.24 0.18 -4.65 114.28 110.27 2jc3 n THR 153 Ca -0.09 0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.83 2jc3 n THR 153 Cb 0.68 -1.35 -0.04 0.00 -2.10 0.00 0.00 70.33 67.52 2jc3 n THR 153 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2jc3 h THR 154 N 0.00 0.42 0.51 4.28 2.02 -1.60 -0.38 112.91 118.16 2jc3 h THR 154 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 2jc3 h THR 154 Cb 0.00 0.42 0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2jc3 h THR 154 CO 0.00 0.00 -0.25 1.23 0.37 0.00 0.00 175.52 176.87 2jc3 h GLY 155 N -0.36 -0.72 0.78 2.16 0.00 -0.84 -1.52 103.07 102.58 2jc3 h GLY 155 Ca 0.08 0.27 0.11 0.00 0.00 0.00 0.00 47.33 47.79 2jc3 h GLY 155 CO -0.26 -0.26 0.52 -2.55 0.00 0.00 0.00 176.54 173.98 2jc3 h PRO 156 N -0.75 0.65 -0.21 4.80 0.11 -1.74 -1.00 132.00 133.86 2jc3 h PRO 156 Ca -0.07 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 2jc3 h PRO 156 Cb 0.56 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 2jc3 h PRO 156 CO 0.12 0.43 0.06 0.93 -0.21 0.00 0.00 178.00 179.32 2jc3 h GLU 157 N 0.67 0.34 -0.63 1.05 5.08 -0.85 -1.83 114.58 118.40 2jc3 h GLU 157 Ca 0.37 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2jc3 h GLU 157 Cb 0.54 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2jc3 h GLU 157 CO -0.14 0.45 0.39 0.82 -1.00 0.00 0.00 179.01 179.53 2jc3 h ILE 158 N 0.17 1.18 -0.76 3.13 2.04 -0.37 0.29 117.51 123.18 2jc3 h ILE 158 Ca 0.07 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 2jc3 h ILE 158 Cb 0.26 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 2jc3 h ILE 158 CO 0.00 0.18 0.39 -0.25 0.00 0.00 0.00 178.15 178.47 2jc3 h TRP 159 N 0.86 1.07 -0.04 1.37 2.91 -1.11 -1.75 115.95 119.26 2jc3 h TRP 159 Ca 0.23 -0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.20 2jc3 h TRP 159 Cb -0.05 -0.34 -0.00 0.00 -0.51 0.00 0.00 29.16 28.27 2jc3 h TRP 159 CO -0.02 0.77 -0.03 -0.09 -1.03 0.00 0.00 178.44 178.04 2jc3 h ARG 160 N 1.06 0.09 0.00 2.65 2.43 -0.83 -1.48 114.38 118.30 2jc3 h ARG 160 Ca 0.26 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2jc3 h ARG 160 Cb 0.08 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2jc3 h ARG 160 CO -0.04 0.51 -0.07 1.96 -1.51 0.00 0.00 179.97 180.83 2jc3 h GLN 161 N -0.32 0.00 -0.70 0.20 4.20 -0.24 -0.63 115.11 117.61 2jc3 h GLN 161 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2jc3 h GLN 161 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2jc3 h GLN 161 CO 0.01 0.07 0.00 0.25 -0.67 0.00 0.00 178.83 178.48 2jc3 n THR 162 N -3.99 1.27 -4.17 -0.54 -2.24 -0.67 -4.94 114.28 99.00 2jc3 n THR 162 Ca -0.03 -1.07 -0.36 0.00 -2.27 0.00 0.00 64.05 60.33 2jc3 n THR 162 Cb 0.15 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 2jc3 n THR 162 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jc3 n SER 163 N 1.44 -3.21 0.00 3.42 7.64 -0.25 -0.23 113.62 122.43 2jc3 n SER 163 Ca 0.25 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 59.16 2jc3 n SER 163 Cb 0.71 -2.64 0.00 0.00 -1.01 0.00 0.00 64.21 61.26 2jc3 n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jc3 n GLY 164 N -1.32 0.56 0.13 0.23 0.00 -0.58 -4.89 105.19 99.32 2jc3 n GLY 164 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 2jc3 n GLY 164 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jc3 h ARG 165 N 1.49 0.00 -6.18 1.61 3.08 -0.89 -3.47 114.38 110.02 2jc3 h ARG 165 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 2jc3 h ARG 165 Cb 0.12 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.26 2jc3 h ARG 165 CO 0.00 0.58 -0.00 1.51 -1.07 0.00 0.00 179.97 180.99 2jc3 n ILE 166 N -3.31 1.09 0.00 2.04 3.06 -1.26 -4.67 119.36 116.30 2jc3 n ILE 166 Ca 0.01 -0.27 0.00 0.00 -2.50 0.00 0.00 62.75 59.99 2jc3 n ILE 166 Cb 0.73 -0.45 0.00 0.00 0.54 0.00 0.00 39.64 40.47 2jc3 n ILE 166 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2jc3 n THR 167 N 0.99 0.00 -3.85 9.51 -2.24 -0.07 -4.86 114.28 113.76 2jc3 n THR 167 Ca 0.16 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.82 2jc3 n THR 167 Cb 0.22 0.12 -0.14 0.00 -2.10 0.00 0.00 70.33 68.43 2jc3 n THR 167 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2jc3 s HIS 168 N -1.88 -0.04 -0.14 4.78 3.76 -1.09 -0.92 115.29 119.76 2jc3 s HIS 168 Ca 0.00 0.10 0.02 0.00 -0.15 0.00 0.00 55.06 55.03 2jc3 s HIS 168 Cb 0.00 0.00 0.01 0.00 1.11 0.00 0.00 32.58 33.70 2jc3 s HIS 168 CO 0.00 -0.02 -0.20 0.12 -0.85 0.00 0.00 174.74 173.78 2jc3 s PHE 169 N 0.07 2.56 -0.14 1.40 5.36 -0.14 -1.42 117.98 125.67 2jc3 s PHE 169 Ca -0.00 -1.31 0.01 0.00 -0.96 0.00 0.00 56.93 54.66 2jc3 s PHE 169 Cb -0.01 -1.76 -0.00 0.00 -0.34 0.00 0.00 43.02 40.91 2jc3 s PHE 169 CO -0.00 -0.62 -0.16 0.08 -1.46 0.00 0.00 175.22 173.06 2jc3 s VAL 170 N 0.92 2.69 -0.05 3.12 1.01 0.21 -0.26 120.40 128.03 2jc3 s VAL 170 Ca -0.05 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 2jc3 s VAL 170 Cb -0.15 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 34.14 2jc3 s VAL 170 CO -0.03 0.52 0.09 -0.55 0.00 0.00 0.00 175.10 175.13 2jc3 s SER 171 N 0.65 0.43 0.05 3.32 0.15 -0.45 -2.47 113.70 115.37 2jc3 s SER 171 Ca -0.08 0.18 -0.31 0.00 0.70 0.00 0.00 55.95 56.44 2jc3 s SER 171 Cb -0.16 0.05 -0.07 0.00 -1.71 0.00 0.00 66.02 64.13 2jc3 s SER 171 CO 0.02 -0.19 1.48 -0.44 1.20 0.00 0.00 173.24 175.32 2jc3 s SER 172 N 1.62 6.76 -0.26 5.45 0.01 -1.26 -1.49 113.70 124.52 2jc3 s SER 172 Ca -0.03 2.29 -0.18 0.00 1.31 0.00 0.00 55.95 59.34 2jc3 s SER 172 Cb -0.12 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 2jc3 s SER 172 CO -0.04 -0.76 0.52 -0.04 0.41 0.00 0.00 173.24 173.33 2jc3 s MET 173 N 2.17 4.06 0.00 12.44 1.00 -0.45 -4.87 119.30 133.65 2jc3 s MET 173 Ca 0.67 0.32 0.00 0.00 0.00 0.00 0.00 55.69 56.68 2jc3 s MET 173 Cb -0.35 -3.66 0.00 0.00 0.00 0.00 0.00 34.83 30.82 2jc3 s MET 173 CO 0.29 -0.36 0.00 0.41 0.00 0.00 0.00 175.02 175.36 2jc3 n GLY 174 N 4.39 0.24 0.23 -0.03 0.00 -1.26 -4.00 105.19 104.77 2jc3 n GLY 174 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.11 2jc3 n GLY 174 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jc3 h THR 175 N 0.00 0.04 0.00 2.61 1.35 -1.92 -3.45 112.91 111.53 2jc3 h THR 175 Ca 0.00 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 2jc3 h THR 175 Cb 0.00 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 2jc3 h THR 175 CO 0.00 0.02 0.00 0.35 -0.25 0.00 0.00 175.52 175.64 2jc3 n THR 176 N -3.11 0.00 -0.27 6.82 -2.24 -1.26 -4.66 114.28 109.56 2jc3 n THR 176 Ca 0.03 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2jc3 n THR 176 Cb 0.48 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.83 2jc3 n THR 176 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2jc3 h GLY 177 N 0.00 1.14 0.76 3.38 0.00 -1.92 -0.09 103.07 106.34 2jc3 h GLY 177 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 2jc3 h GLY 177 CO 0.00 0.21 -0.12 -0.84 0.00 0.00 0.00 176.54 175.78 2jc3 h THR 178 N 0.82 0.80 -0.38 4.70 2.02 -1.91 -0.62 112.91 118.34 2jc3 h THR 178 Ca 0.34 -0.47 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 2jc3 h THR 178 Cb 0.19 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2jc3 h THR 178 CO -0.18 0.10 -0.14 -0.29 0.37 0.00 0.00 175.52 175.39 2jc3 h ILE 179 N -0.59 1.25 0.08 3.11 2.10 -1.90 0.22 117.51 121.78 2jc3 h ILE 179 Ca -0.03 -1.16 -0.00 0.00 1.08 0.00 0.00 64.86 64.74 2jc3 h ILE 179 Cb 0.43 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.27 2jc3 h ILE 179 CO 0.06 0.39 -0.04 0.74 -1.08 0.00 0.00 178.15 178.22 2jc3 h THR 180 N 0.62 1.06 -0.31 2.19 2.02 -0.98 0.44 112.91 117.95 2jc3 h THR 180 Ca 0.10 -0.50 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 2jc3 h THR 180 Cb 0.59 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2jc3 h THR 180 CO 0.04 0.12 -0.06 1.23 0.37 0.00 0.00 175.52 177.22 2jc3 h GLY 181 N -0.34 0.64 1.00 2.16 0.00 -1.02 -1.88 103.07 103.63 2jc3 h GLY 181 Ca -0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 2jc3 h GLY 181 CO 0.02 0.47 0.20 -2.08 0.00 0.00 0.00 176.54 175.16 2jc3 h VAL 182 N 0.37 1.24 -0.65 4.60 2.07 -0.95 -2.40 116.25 120.53 2jc3 h VAL 182 Ca 0.08 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 2jc3 h VAL 182 Cb 0.54 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2jc3 h VAL 182 CO 0.03 0.30 0.31 -1.28 0.02 0.00 0.00 177.57 176.95 2jc3 h SER 183 N 0.84 0.85 -0.72 0.57 0.87 -0.83 -0.17 113.55 114.96 2jc3 h SER 183 Ca 0.19 -0.13 0.10 0.00 -1.23 0.00 0.00 61.79 60.72 2jc3 h SER 183 Cb 0.26 -0.22 -0.08 0.00 -0.44 0.00 0.00 62.40 61.92 2jc3 h SER 183 CO -0.01 0.75 0.34 0.03 -0.53 0.00 0.00 176.83 177.41 2jc3 h ARG 184 N 0.89 0.55 -0.32 2.24 3.08 -1.10 0.53 114.38 120.24 2jc3 h ARG 184 Ca 0.22 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 60.07 2jc3 h ARG 184 Cb 0.12 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2jc3 h ARG 184 CO -0.03 0.37 -0.47 0.35 -1.07 0.00 0.00 179.97 179.12 2jc3 h PHE 185 N 0.57 1.09 -0.27 3.04 3.04 -0.88 -3.21 116.94 120.32 2jc3 h PHE 185 Ca 0.36 -0.37 -0.13 0.00 3.98 0.00 0.00 57.97 61.82 2jc3 h PHE 185 Cb 0.42 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 2jc3 h PHE 185 CO -0.12 1.19 -0.37 -0.07 -2.02 0.00 0.00 178.31 176.93 2jc3 h LEU 186 N 0.68 0.63 -2.06 0.59 3.38 -0.42 -2.65 115.31 115.46 2jc3 h LEU 186 Ca 0.03 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.79 2jc3 h LEU 186 Cb 1.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2jc3 h LEU 186 CO 0.11 0.94 0.14 0.03 0.09 0.00 0.00 178.44 179.75 2jc3 h ARG 187 N 0.50 0.00 0.00 1.13 2.47 -0.95 0.84 114.38 118.38 2jc3 h ARG 187 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2jc3 h ARG 187 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 2jc3 h ARG 187 CO 0.07 0.00 0.00 0.39 0.56 0.00 0.00 179.97 180.99 2jc3 n GLU 188 N -4.36 0.08 -2.68 0.04 1.02 -1.00 -4.74 120.64 109.01 2jc3 n GLU 188 Ca 0.01 0.38 -0.31 0.00 -0.02 0.00 0.00 57.16 57.22 2jc3 n GLU 188 Cb 0.27 -1.68 -0.04 0.00 -0.02 0.00 0.00 31.44 29.98 2jc3 n GLU 188 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2jc3 s GLN 189 N -3.17 3.88 0.04 3.49 -1.52 0.29 -4.99 119.66 117.69 2jc3 s GLN 189 Ca 0.04 0.72 -0.28 0.00 -1.95 0.00 0.00 55.36 53.89 2jc3 s GLN 189 Cb 0.08 -2.28 -0.17 0.00 -0.22 0.00 0.00 33.01 30.42 2jc3 s GLN 189 CO 0.27 -0.12 1.43 0.93 -0.25 0.00 0.00 175.29 177.54 2jc3 h GLU 190 N 1.21 -0.59 -6.73 2.91 5.08 -1.86 -3.43 114.58 111.17 2jc3 h GLU 190 Ca -0.47 0.04 -0.54 0.00 -1.00 0.00 0.00 59.36 57.39 2jc3 h GLU 190 Cb 1.18 0.13 0.08 0.00 0.50 0.00 0.00 28.75 30.65 2jc3 h GLU 190 CO 0.63 -0.31 0.88 1.17 -1.00 0.00 0.00 179.01 180.37 2jc3 n LYS 191 N -5.29 2.62 -2.49 2.33 4.81 -1.26 -4.97 118.16 113.91 2jc3 n LYS 191 Ca -0.11 0.94 -0.36 0.00 -0.87 0.00 0.00 58.31 57.90 2jc3 n LYS 191 Cb 0.29 -2.72 -0.03 0.00 0.02 0.00 0.00 35.03 32.59 2jc3 n LYS 191 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2jc3 s PRO 192 N -0.07 4.06 -0.03 1.64 0.02 -1.26 -4.96 135.00 134.39 2jc3 s PRO 192 Ca 0.67 1.54 0.01 0.00 0.02 0.00 0.00 61.00 63.24 2jc3 s PRO 192 Cb -0.52 -2.47 0.02 0.00 0.02 0.00 0.00 34.50 31.55 2jc3 s PRO 192 CO 0.45 -0.24 -0.02 0.08 -0.33 0.00 0.00 177.00 176.94 2jc3 s VAL 193 N -1.67 0.28 -0.04 3.83 1.01 -1.26 -4.84 120.40 117.71 2jc3 s VAL 193 Ca 0.60 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 62.32 2jc3 s VAL 193 Cb -0.22 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 2jc3 s VAL 193 CO 0.28 0.16 0.83 -0.89 0.00 0.00 0.00 175.10 175.47 2jc3 s THR 194 N 0.86 4.96 -0.26 3.92 2.01 -0.10 -4.95 115.64 122.09 2jc3 s THR 194 Ca -0.09 1.72 -0.08 0.00 0.31 0.00 0.00 61.69 63.55 2jc3 s THR 194 Cb -0.13 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 2jc3 s THR 194 CO -0.01 0.20 0.10 -0.63 -0.69 0.00 0.00 174.62 173.59 2jc3 s ILE 195 N 0.94 4.55 -0.23 1.82 -1.09 -1.26 -0.96 121.20 124.96 2jc3 s ILE 195 Ca 0.44 -0.09 -0.00 0.00 -2.23 0.00 0.00 60.65 58.77 2jc3 s ILE 195 Cb -0.19 -3.14 0.03 0.00 -1.58 0.00 0.00 42.46 37.58 2jc3 s ILE 195 CO 0.22 0.32 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.46 2jc3 s VAL 196 N 1.65 2.62 0.17 2.92 1.01 0.64 -0.48 120.40 128.92 2jc3 s VAL 196 Ca 0.07 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 60.98 2jc3 s VAL 196 Cb -0.15 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 2jc3 s VAL 196 CO 0.05 0.24 0.32 -0.83 0.00 0.00 0.00 175.10 174.89 2jc3 s GLY 197 N 1.29 1.74 0.03 4.51 0.00 0.35 -1.35 107.32 113.90 2jc3 s GLY 197 Ca 0.00 -0.96 0.06 0.00 0.00 0.00 0.00 44.72 43.82 2jc3 s GLY 197 CO -0.06 -0.94 -0.18 1.08 0.00 0.00 0.00 173.10 173.00 2jc3 s LEU 198 N -3.25 2.14 0.02 0.66 1.43 -0.56 -0.94 118.68 118.18 2jc3 s LEU 198 Ca 0.36 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 2jc3 s LEU 198 Cb -0.11 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.26 2jc3 s LEU 198 CO 0.29 0.13 0.04 0.00 0.23 0.00 0.00 176.35 177.04 2jc3 s GLN 199 N -1.01 0.43 0.64 1.70 -2.07 -0.51 -1.33 119.66 117.51 2jc3 s GLN 199 Ca 0.05 -0.61 -0.17 0.00 -1.82 0.00 0.00 55.36 52.82 2jc3 s GLN 199 Cb -0.08 0.16 -0.01 0.00 -1.09 0.00 0.00 33.01 31.99 2jc3 s GLN 199 CO 0.01 -0.09 1.16 -1.25 -1.32 0.00 0.00 175.29 173.81 2jc3 s PRO 200 N -1.77 2.77 0.68 9.60 0.04 -1.26 -1.49 135.00 143.57 2jc3 s PRO 200 Ca -0.12 1.64 -0.14 0.00 0.04 0.00 0.00 61.00 62.42 2jc3 s PRO 200 Cb -0.07 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.56 2jc3 s PRO 200 CO -0.01 -1.32 1.10 -2.00 0.04 0.00 0.00 177.00 174.81 2jc3 s GLU 201 N -3.70 2.73 0.26 4.56 2.12 -0.66 -4.68 118.70 119.33 2jc3 s GLU 201 Ca 0.73 1.31 -0.31 0.00 0.36 0.00 0.00 54.97 57.06 2jc3 s GLU 201 Cb -0.26 -1.95 -0.12 0.00 0.26 0.00 0.00 34.13 32.06 2jc3 s GLU 201 CO 0.38 -1.29 1.59 0.39 -0.54 0.00 0.00 175.26 175.79 2jc3 n GLU 202 N -2.64 2.57 0.00 4.30 1.02 -1.26 -0.70 120.64 123.93 2jc3 n GLU 202 Ca 0.10 0.92 0.00 0.00 -0.02 0.00 0.00 57.16 58.16 2jc3 n GLU 202 Cb 0.52 -2.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.25 2jc3 n GLU 202 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jc3 n GLY 203 N 2.67 2.61 3.77 0.62 0.00 -1.26 -5.02 105.19 108.57 2jc3 n GLY 203 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 2jc3 n GLY 203 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jc3 s SER 204 N -1.95 7.33 -0.29 1.61 0.01 0.12 -5.02 113.70 115.52 2jc3 s SER 204 Ca 0.00 1.58 -0.01 0.00 1.31 0.00 0.00 55.95 58.83 2jc3 s SER 204 Cb 0.00 -2.49 0.05 0.00 0.21 0.00 0.00 66.02 63.79 2jc3 s SER 204 CO 0.00 0.14 -0.03 -0.55 0.41 0.00 0.00 173.24 173.21 2jc3 s SER 205 N -0.76 4.75 -0.30 2.44 0.15 -1.26 -4.68 113.70 114.04 2jc3 s SER 205 Ca 0.37 -1.25 0.03 0.00 0.70 0.00 0.00 55.95 55.80 2jc3 s SER 205 Cb -0.22 -1.68 0.08 0.00 -1.71 0.00 0.00 66.02 62.49 2jc3 s SER 205 CO 0.25 -0.23 -0.00 -0.63 1.20 0.00 0.00 173.24 173.83 2jc3 s ILE 206 N 1.24 1.94 0.22 6.45 1.01 -1.26 -4.86 121.20 125.93 2jc3 s ILE 206 Ca -0.05 -1.85 -0.30 0.00 0.00 0.00 0.00 60.65 58.44 2jc3 s ILE 206 Cb -0.19 -2.30 -0.15 0.00 0.01 0.00 0.00 42.46 39.83 2jc3 s ILE 206 CO -0.02 -0.38 1.00 -2.65 0.00 0.00 0.00 174.94 172.89 2jc3 n PRO 207 N 4.45 1.03 0.00 2.79 -0.02 -1.26 -2.43 135.00 139.56 2jc3 n PRO 207 Ca -0.04 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2jc3 n PRO 207 Cb 0.42 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 2jc3 n PRO 207 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jc3 n GLY 208 N 1.68 2.94 3.44 -1.23 0.00 -1.26 -4.30 105.19 106.45 2jc3 n GLY 208 Ca 0.13 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2jc3 n GLY 208 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jc3 n ILE 209 N 0.00 0.00 -3.43 -0.61 -5.35 -1.02 -4.56 119.36 104.39 2jc3 n ILE 209 Ca 0.00 -2.35 -0.13 0.00 -0.27 0.00 0.00 62.75 60.00 2jc3 n ILE 209 Cb 0.00 0.66 -0.02 0.00 -1.74 0.00 0.00 39.64 38.53 2jc3 n ILE 209 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jc3 s ARG 210 N -3.67 1.24 -0.29 6.28 1.70 -1.26 -4.71 118.95 118.24 2jc3 s ARG 210 Ca 0.10 -0.38 -0.23 0.00 -0.47 0.00 0.00 55.73 54.76 2jc3 s ARG 210 Cb 0.00 0.57 -0.00 0.00 -0.57 0.00 0.00 34.95 34.95 2jc3 s ARG 210 CO 0.07 -0.53 0.75 0.50 -1.08 0.00 0.00 175.30 175.02 2jc3 s ARG 211 N -3.43 3.99 0.14 3.89 3.52 -1.26 -4.58 118.95 121.23 2jc3 s ARG 211 Ca -0.00 0.58 -0.24 0.00 -0.13 0.00 0.00 55.73 55.94 2jc3 s ARG 211 Cb -0.01 -3.71 -0.08 0.00 -1.56 0.00 0.00 34.95 29.59 2jc3 s ARG 211 CO -0.10 -0.62 0.72 -1.58 -0.81 0.00 0.00 175.30 172.91 2jc3 s TRP 212 N 2.85 3.88 0.08 5.12 0.52 -1.26 -4.99 118.94 125.13 2jc3 s TRP 212 Ca 0.31 1.54 -0.33 0.00 0.02 0.00 0.00 56.10 57.64 2jc3 s TRP 212 Cb -0.14 -2.70 -0.12 0.00 -1.15 0.00 0.00 33.47 29.36 2jc3 s TRP 212 CO 0.11 0.53 1.74 -2.30 0.02 0.00 0.00 176.95 177.06 2jc3 n PRO 213 N 1.60 2.37 0.00 4.98 -0.02 -1.26 -4.79 135.00 137.87 2jc3 n PRO 213 Ca -0.07 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2jc3 n PRO 213 Cb 0.49 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 2jc3 n PRO 213 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jc3 n ALA 214 N 4.97 0.00 -2.18 3.55 0.00 -1.26 0.11 120.51 125.70 2jc3 n ALA 214 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.39 2jc3 n ALA 214 Cb 0.32 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.78 2jc3 n ALA 214 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jc3 n GLU 215 N -3.84 3.50 -0.78 0.00 1.02 -1.26 -4.57 120.64 114.71 2jc3 n GLU 215 Ca 0.00 -4.25 0.03 0.00 -0.02 0.00 0.00 57.16 52.93 2jc3 n GLU 215 Cb 0.00 -2.25 0.05 0.00 -0.02 0.00 0.00 31.44 29.22 2jc3 n GLU 215 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jc3 n TYR 216 N -0.63 0.00 -1.65 -0.32 4.02 0.31 -5.10 117.16 113.79 2jc3 n TYR 216 Ca 0.41 -0.49 -0.38 0.00 -0.01 0.00 0.00 57.90 57.43 2jc3 n TYR 216 Cb 0.87 -0.12 0.05 0.00 -0.02 0.00 0.00 39.34 40.12 2jc3 n TYR 216 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 2jc3 n MET 217 N -0.17 1.12 -1.34 -0.72 2.81 -1.24 -4.66 117.12 112.91 2jc3 n MET 217 Ca 0.07 0.42 -0.36 0.00 -1.81 0.00 0.00 57.70 56.02 2jc3 n MET 217 Cb 0.84 -2.25 0.08 0.00 -0.71 0.00 0.00 33.22 31.18 2jc3 n MET 217 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2jc3 n PRO 218 N -0.92 0.47 -0.28 0.03 -0.04 -1.26 -4.87 135.00 128.13 2jc3 n PRO 218 Ca 0.13 0.21 0.14 0.00 -0.04 0.00 0.00 63.50 63.93 2jc3 n PRO 218 Cb 0.46 -2.13 0.39 0.00 -0.04 0.00 0.00 33.50 32.18 2jc3 n PRO 218 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2jc3 h GLY 219 N -0.25 1.26 2.00 0.55 0.00 -1.86 -1.77 103.07 103.00 2jc3 h GLY 219 Ca -0.47 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.57 2jc3 h GLY 219 CO 0.46 0.04 0.00 0.16 0.00 0.00 0.00 176.54 177.21 2jc3 h ILE 220 N 0.66 0.00 -3.97 2.60 3.07 -1.68 -3.46 117.51 114.73 2jc3 h ILE 220 Ca 0.48 -0.30 -0.52 0.00 1.55 0.00 0.00 64.86 66.06 2jc3 h ILE 220 Cb 0.85 1.10 0.08 0.00 -0.27 0.00 0.00 36.82 38.58 2jc3 h ILE 220 CO -0.23 0.00 0.57 0.12 -1.05 0.00 0.00 178.15 177.56 2jc3 s PHE 221 N -3.34 2.80 -0.35 0.16 2.19 -0.67 -5.00 117.98 113.77 2jc3 s PHE 221 Ca 0.04 1.45 -0.01 0.00 0.33 0.00 0.00 56.93 58.75 2jc3 s PHE 221 Cb 0.09 -3.59 0.12 0.00 -1.31 0.00 0.00 43.02 38.34 2jc3 s PHE 221 CO 0.44 -1.96 0.18 1.21 1.83 0.00 0.00 175.22 176.92 2jc3 s ASN 222 N -0.95 3.41 0.37 6.13 3.84 -1.26 -5.00 114.94 121.48 2jc3 s ASN 222 Ca 0.60 -2.00 0.19 0.00 0.21 0.00 0.00 52.86 51.87 2jc3 s ASN 222 Cb -0.35 -0.60 1.25 0.00 -0.55 0.00 0.00 41.25 40.99 2jc3 s ASN 222 CO 0.44 -0.35 1.62 0.00 -2.79 0.00 0.00 177.10 176.03 2jc3 h ALA 223 N 7.43 2.15 0.00 1.71 0.00 -1.95 0.19 119.26 128.79 2jc3 h ALA 223 Ca -0.04 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jc3 h ALA 223 Cb 0.98 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jc3 h ALA 223 CO 0.38 -0.84 0.00 -1.13 0.00 0.00 0.00 179.25 177.66 2jc3 n SER 224 N -5.09 0.57 0.14 0.00 3.41 -1.26 -2.03 113.62 109.36 2jc3 n SER 224 Ca 0.35 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.76 2jc3 n SER 224 Cb 1.17 -0.79 0.23 0.00 -0.26 0.00 0.00 64.21 64.57 2jc3 n SER 224 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2jc3 h LEU 225 N 0.00 0.00 -8.71 1.04 3.38 -1.05 -3.44 115.31 106.53 2jc3 h LEU 225 Ca 0.00 -0.03 -0.64 0.00 0.09 0.00 0.00 57.88 57.29 2jc3 h LEU 225 Cb 0.23 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.76 2jc3 h LEU 225 CO 0.00 0.02 -0.61 -0.69 0.09 0.00 0.00 178.44 177.25 2jc3 s VAL 226 N -3.18 4.44 0.12 1.22 1.01 -0.86 -4.76 120.40 118.39 2jc3 s VAL 226 Ca 0.07 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2jc3 s VAL 226 Cb 0.09 -3.07 -0.22 0.00 0.00 0.00 0.00 36.38 33.18 2jc3 s VAL 226 CO 0.67 0.34 1.26 0.44 0.00 0.00 0.00 175.10 177.81 2jc3 h ASP 227 N 8.07 0.23 -4.44 3.32 3.32 -1.06 -3.47 116.42 122.39 2jc3 h ASP 227 Ca -0.38 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 56.32 2jc3 h ASP 227 Cb 1.18 -0.07 -0.22 0.00 0.22 0.00 0.00 39.33 40.43 2jc3 h ASP 227 CO 0.59 1.13 -0.30 -1.61 -1.72 0.00 0.00 179.24 177.33 2jc3 s GLU 228 N -2.84 0.53 -0.13 3.56 2.02 -0.86 -4.99 118.70 116.00 2jc3 s GLU 228 Ca -0.02 0.13 0.02 0.00 0.02 0.00 0.00 54.97 55.12 2jc3 s GLU 228 Cb 0.09 0.25 0.01 0.00 0.10 0.00 0.00 34.13 34.58 2jc3 s GLU 228 CO 0.85 -0.12 -0.18 0.08 0.02 0.00 0.00 175.26 175.91 2jc3 s VAL 229 N -0.60 1.78 0.13 2.63 1.01 -1.26 -0.49 120.40 123.60 2jc3 s VAL 229 Ca -0.07 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.18 2jc3 s VAL 229 Cb -0.04 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2jc3 s VAL 229 CO 0.02 0.49 -0.08 -0.76 0.00 0.00 0.00 175.10 174.77 2jc3 s LEU 230 N 1.00 3.07 -0.09 3.92 1.02 -0.12 -4.97 118.68 122.52 2jc3 s LEU 230 Ca -0.05 -0.42 -0.06 0.00 0.02 0.00 0.00 54.13 53.62 2jc3 s LEU 230 Cb -0.15 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.20 2jc3 s LEU 230 CO -0.04 0.15 0.15 -1.81 0.02 0.00 0.00 176.35 174.83 2jc3 s ASP 231 N -2.44 6.39 -0.07 2.29 1.11 -1.26 -1.42 116.67 121.27 2jc3 s ASP 231 Ca 0.23 0.44 0.03 0.00 0.18 0.00 0.00 52.55 53.43 2jc3 s ASP 231 Cb -0.10 -2.05 0.01 0.00 1.07 0.00 0.00 42.92 41.84 2jc3 s ASP 231 CO 0.15 0.37 -0.17 -0.63 1.18 0.00 0.00 175.17 176.07 2jc3 s ILE 232 N -1.12 1.46 0.19 0.77 -1.09 -0.56 -4.87 121.20 115.98 2jc3 s ILE 232 Ca 0.19 -0.68 -0.24 0.00 -2.23 0.00 0.00 60.65 57.68 2jc3 s ILE 232 Cb -0.12 -1.29 -0.08 0.00 -1.58 0.00 0.00 42.46 39.39 2jc3 s ILE 232 CO 0.08 0.42 0.78 -2.28 -1.23 0.00 0.00 174.94 172.72 2jc3 s HIS 233 N 0.42 3.85 0.22 3.97 5.65 -1.26 -1.65 115.29 126.49 2jc3 s HIS 233 Ca -0.13 1.60 -0.12 0.00 0.25 0.00 0.00 55.06 56.66 2jc3 s HIS 233 Cb -0.15 -2.75 0.28 0.00 -1.18 0.00 0.00 32.58 28.77 2jc3 s HIS 233 CO 0.05 0.46 1.62 0.37 -0.65 0.00 0.00 174.74 176.59 2jc3 h GLN 234 N 4.08 0.01 -0.63 2.88 4.15 -1.91 0.01 115.11 123.70 2jc3 h GLN 234 Ca -0.47 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.92 2jc3 h GLN 234 Cb 1.20 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.86 2jc3 h GLN 234 CO 0.66 0.01 0.28 -0.97 -1.93 0.00 0.00 178.83 176.88 2jc3 h ASN 235 N 0.01 0.82 -0.09 -0.69 -0.73 -1.94 -0.24 115.58 112.72 2jc3 h ASN 235 Ca 0.33 -0.09 -0.12 0.00 1.87 0.00 0.00 56.30 58.29 2jc3 h ASN 235 Cb 0.52 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.88 2jc3 h ASN 235 CO -0.69 0.71 -0.35 -0.78 -0.37 0.00 0.00 177.43 175.95 2jc3 h ASP 236 N 0.90 0.61 -0.22 1.15 3.58 -1.43 -0.76 116.42 120.25 2jc3 h ASP 236 Ca 0.22 -0.25 -0.08 0.00 0.42 0.00 0.00 57.03 57.33 2jc3 h ASP 236 Cb 0.12 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.00 2jc3 h ASP 236 CO -0.03 0.91 -0.19 0.00 -2.88 0.00 0.00 179.24 177.05 2jc3 h ALA 237 N 1.13 0.32 -0.77 -0.78 0.00 -0.62 -2.04 119.26 116.49 2jc3 h ALA 237 Ca 0.05 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2jc3 h ALA 237 Cb 0.84 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2jc3 h ALA 237 CO 0.07 0.25 0.28 0.93 0.00 0.00 0.00 179.25 180.78 2jc3 h GLU 238 N 0.20 1.16 -0.13 0.00 5.08 -0.97 -0.69 114.58 119.24 2jc3 h GLU 238 Ca 0.04 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2jc3 h GLU 238 Cb 0.74 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2jc3 h GLU 238 CO 0.05 0.96 0.07 -0.91 -1.00 0.00 0.00 179.01 178.18 2jc3 h ASN 239 N 1.12 0.16 -0.41 1.42 2.35 -1.07 -1.43 115.58 117.73 2jc3 h ASN 239 Ca 0.25 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 2jc3 h ASN 239 Cb 0.25 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 2jc3 h ASN 239 CO -0.02 0.21 0.05 0.74 -1.65 0.00 0.00 177.43 176.76 2jc3 h THR 240 N 0.10 1.23 0.39 2.81 2.02 -1.26 -0.19 112.91 118.02 2jc3 h THR 240 Ca 0.04 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 2jc3 h THR 240 Cb 0.09 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2jc3 h THR 240 CO -0.01 0.33 -0.37 -0.03 0.37 0.00 0.00 175.52 175.81 2jc3 h MET 241 N 0.73 -0.75 -0.52 6.66 1.85 -0.82 -0.15 114.93 121.93 2jc3 h MET 241 Ca 0.15 0.05 0.02 0.00 -0.61 0.00 0.00 59.70 59.32 2jc3 h MET 241 Cb 0.38 0.17 -0.03 0.00 0.43 0.00 0.00 31.60 32.55 2jc3 h MET 241 CO 0.01 -0.50 0.35 0.00 -0.40 0.00 0.00 176.91 176.37 2jc3 h ARG 242 N -0.77 0.61 0.00 0.39 3.08 -0.98 -1.79 114.38 114.91 2jc3 h ARG 242 Ca -0.03 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 2jc3 h ARG 242 Cb 0.69 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2jc3 h ARG 242 CO -0.05 0.40 -0.49 1.49 -1.07 0.00 0.00 179.97 180.25 2jc3 h GLU 243 N 0.63 0.00 -0.49 0.04 4.81 -0.51 -2.33 114.58 116.72 2jc3 h GLU 243 Ca 0.20 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 2jc3 h GLU 243 Cb 0.05 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2jc3 h GLU 243 CO -0.05 0.49 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.63 2jc3 h LEU 244 N 0.00 0.86 -0.27 1.64 3.38 -0.14 0.12 115.31 120.91 2jc3 h LEU 244 Ca -0.00 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 2jc3 h LEU 244 Cb 0.99 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2jc3 h LEU 244 CO 0.06 0.97 -0.18 0.00 0.09 0.00 0.00 178.44 179.39 2jc3 h ALA 245 N 0.92 0.38 -0.11 1.53 0.00 -1.27 -0.01 119.26 120.71 2jc3 h ALA 245 Ca 0.14 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.49 2jc3 h ALA 245 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2jc3 h ALA 245 CO 0.03 0.31 -0.77 0.28 0.00 0.00 0.00 179.25 179.10 2jc3 h VAL 246 N 0.33 1.33 -0.00 0.00 2.07 -1.35 -2.53 116.25 116.10 2jc3 h VAL 246 Ca 0.05 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.49 2jc3 h VAL 246 Cb 0.72 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2jc3 h VAL 246 CO 0.05 0.64 -0.71 0.54 0.02 0.00 0.00 177.57 178.11 2jc3 n ARG 247 N -3.88 1.98 0.00 1.57 1.74 0.41 -4.61 116.66 113.86 2jc3 n ARG 247 Ca -0.06 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2jc3 n ARG 247 Cb 0.73 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.96 2jc3 n ARG 247 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2jc3 n GLU 248 N -1.33 3.39 -1.05 5.56 -0.58 -0.18 -4.61 120.64 121.83 2jc3 n GLU 248 Ca 0.03 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.75 2jc3 n GLU 248 Cb 0.24 -0.39 -0.01 0.00 -0.57 0.00 0.00 31.44 30.71 2jc3 n GLU 248 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jc3 n GLY 249 N 0.72 0.54 3.47 0.62 0.00 -0.24 -4.97 105.19 105.32 2jc3 n GLY 249 Ca 0.00 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 2jc3 n GLY 249 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jc3 s ILE 250 N -1.97 5.12 -0.49 -0.61 1.01 -0.73 -4.88 121.20 118.65 2jc3 s ILE 250 Ca 0.00 -0.49 -0.18 0.00 0.00 0.00 0.00 60.65 59.98 2jc3 s ILE 250 Cb 0.00 -4.05 0.06 0.00 0.01 0.00 0.00 42.46 38.47 2jc3 s ILE 250 CO 0.00 -0.45 0.55 0.12 0.00 0.00 0.00 174.94 175.16 2jc3 s PHE 251 N 2.05 3.11 0.15 3.97 5.99 -1.26 -2.10 117.98 129.88 2jc3 s PHE 251 Ca 0.10 -0.59 0.03 0.00 0.00 0.00 0.00 56.93 56.47 2jc3 s PHE 251 Cb -0.18 -3.37 -0.01 0.00 0.00 0.00 0.00 43.02 39.45 2jc3 s PHE 251 CO 0.12 -0.94 0.10 0.00 -0.00 0.00 0.00 175.22 174.50 2jc3 s GLY 253 N -1.99 1.76 0.20 0.00 0.00 -1.16 -3.81 107.32 102.32 2jc3 s GLY 253 Ca 0.14 -1.55 -0.10 0.00 0.00 0.00 0.00 44.72 43.21 2jc3 s GLY 253 CO 0.10 -0.97 1.82 -2.08 0.00 0.00 0.00 173.10 171.97 2jc3 h VAL 254 N -0.73 1.23 0.00 1.40 2.07 -1.90 -1.15 116.25 117.18 2jc3 h VAL 254 Ca -0.39 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 2jc3 h VAL 254 Cb 1.27 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2jc3 h VAL 254 CO 0.42 0.26 -0.23 0.77 0.02 0.00 0.00 177.57 178.81 2jc3 h SER 255 N 1.04 0.00 -0.23 0.57 4.64 -1.91 0.97 113.55 118.63 2jc3 h SER 255 Ca 0.26 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.48 2jc3 h SER 255 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2jc3 h SER 255 CO -0.04 0.23 -0.26 0.28 -0.87 0.00 0.00 176.83 176.16 2jc3 h SER 256 N 0.00 0.63 -0.88 4.97 0.02 -1.64 0.23 113.55 116.88 2jc3 h SER 256 Ca -0.00 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2jc3 h SER 256 Cb 0.47 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 2jc3 h SER 256 CO 0.03 0.99 0.56 1.23 -1.14 0.00 0.00 176.83 178.50 2jc3 h GLY 257 N 0.28 1.26 1.05 -3.77 0.00 -0.71 -0.39 103.07 100.80 2jc3 h GLY 257 Ca 0.03 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 46.87 2jc3 h GLY 257 CO 0.06 0.48 0.62 -1.33 0.00 0.00 0.00 176.54 176.38 2jc3 h GLY 258 N 1.21 1.35 1.02 4.60 0.00 -0.30 0.73 103.07 111.67 2jc3 h GLY 258 Ca 0.32 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 2jc3 h GLY 258 CO -0.07 0.50 -0.07 0.00 0.00 0.00 0.00 176.54 176.91 2jc3 h ALA 259 N 1.39 0.63 -0.09 3.60 0.00 0.27 -0.79 119.26 124.26 2jc3 h ALA 259 Ca 0.35 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2jc3 h ALA 259 Cb -0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2jc3 h ALA 259 CO -0.07 0.50 -0.48 0.28 0.00 0.00 0.00 179.25 179.48 2jc3 h VAL 260 N 0.71 1.34 -0.54 0.00 2.07 -0.79 0.37 116.25 119.40 2jc3 h VAL 260 Ca 0.12 -1.68 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 2jc3 h VAL 260 Cb 0.61 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 2jc3 h VAL 260 CO 0.04 0.50 0.33 0.00 0.02 0.00 0.00 177.57 178.46 2jc3 h ALA 261 N 1.32 0.69 -0.68 1.67 0.00 -0.53 0.23 119.26 121.96 2jc3 h ALA 261 Ca 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2jc3 h ALA 261 Cb 0.91 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2jc3 h ALA 261 CO 0.07 0.16 0.26 0.78 0.00 0.00 0.00 179.25 180.52 2jc3 h GLY 262 N 0.73 1.10 1.18 0.00 0.00 -0.69 -2.30 103.07 103.08 2jc3 h GLY 262 Ca 0.19 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 2jc3 h GLY 262 CO -0.04 0.57 0.29 0.00 0.00 0.00 0.00 176.54 177.36 2jc3 h ALA 263 N 1.11 1.17 -0.43 3.60 0.00 -0.36 -1.94 119.26 122.41 2jc3 h ALA 263 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jc3 h ALA 263 Cb 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2jc3 h ALA 263 CO -0.02 0.60 0.23 -0.07 0.00 0.00 0.00 179.25 180.00 2jc3 h LEU 264 N 1.03 0.54 -0.10 0.00 3.38 -0.18 0.11 115.31 120.10 2jc3 h LEU 264 Ca 0.24 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.14 2jc3 h LEU 264 Cb 0.19 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2jc3 h LEU 264 CO -0.02 0.49 -0.11 0.03 0.09 0.00 0.00 178.44 178.92 2jc3 h ARG 265 N 0.56 -0.13 -0.02 1.13 3.08 -1.05 0.14 114.38 118.09 2jc3 h ARG 265 Ca 0.15 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.23 2jc3 h ARG 265 Cb 0.07 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2jc3 h ARG 265 CO -0.02 -0.09 -0.08 0.28 -1.07 0.00 0.00 179.97 178.99 2jc3 h VAL 266 N -0.13 0.79 -0.94 2.04 2.07 -1.15 -0.69 116.25 118.23 2jc3 h VAL 266 Ca 0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.67 2jc3 h VAL 266 Cb 0.24 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 2jc3 h VAL 266 CO -0.18 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.00 2jc3 h ALA 267 N 0.88 1.32 -0.42 1.67 0.00 -0.31 -0.45 119.26 121.94 2jc3 h ALA 267 Ca 0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2jc3 h ALA 267 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2jc3 h ALA 267 CO -0.10 0.33 -0.24 0.00 0.00 0.00 0.00 179.25 179.24 2jc3 h ARG 268 N 1.05 0.90 0.00 0.00 3.08 -0.30 -2.97 114.38 116.15 2jc3 h ARG 268 Ca 0.42 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2jc3 h ARG 268 Cb 0.23 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2jc3 h ARG 268 CO -0.19 1.07 0.00 0.00 -1.07 0.00 0.00 179.97 179.77 2jc3 n ALA 269 N -2.51 2.26 -3.47 0.04 0.00 -0.31 -4.50 120.51 112.02 2jc3 n ALA 269 Ca -0.01 -0.10 -0.28 0.00 0.00 0.00 0.00 53.44 53.04 2jc3 n ALA 269 Cb 0.46 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 18.37 2jc3 n ALA 269 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jc3 s THR 270 N -2.89 0.44 0.22 0.00 2.01 -0.23 -5.07 115.64 110.12 2jc3 s THR 270 Ca 0.16 -2.29 -0.31 0.00 0.31 0.00 0.00 61.69 59.56 2jc3 s THR 270 Cb 0.18 -1.32 -0.15 0.00 0.01 0.00 0.00 72.50 71.21 2jc3 s THR 270 CO 0.47 -1.09 1.08 -2.65 -0.69 0.00 0.00 174.62 171.74 2jc3 n PRO 271 N 3.40 1.20 -0.98 4.92 -0.02 -1.26 -1.34 135.00 140.92 2jc3 n PRO 271 Ca 0.20 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2jc3 n PRO 271 Cb 0.41 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2jc3 n PRO 271 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jc3 n GLY 272 N 1.71 0.93 3.76 -1.23 0.00 -0.97 -4.83 105.19 104.57 2jc3 n GLY 272 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2jc3 n GLY 272 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jc3 s ALA 273 N -3.75 3.51 -0.64 4.61 0.00 -0.45 -4.65 121.76 120.38 2jc3 s ALA 273 Ca 0.00 1.22 -0.10 0.00 0.00 0.00 0.00 51.96 53.09 2jc3 s ALA 273 Cb 0.00 -3.48 0.17 0.00 0.00 0.00 0.00 23.12 19.81 2jc3 s ALA 273 CO 0.00 -0.60 0.53 0.42 0.00 0.00 0.00 175.76 176.10 2jc3 s ILE 274 N -0.87 4.62 -0.10 0.00 -1.09 -1.26 -0.82 121.20 121.68 2jc3 s ILE 274 Ca 0.51 -2.32 -0.13 0.00 -2.23 0.00 0.00 60.65 56.47 2jc3 s ILE 274 Cb -0.39 -3.96 -0.05 0.00 -1.58 0.00 0.00 42.46 36.49 2jc3 s ILE 274 CO 0.49 -0.90 0.31 -0.69 -1.23 0.00 0.00 174.94 172.93 2jc3 s VAL 275 N 0.58 5.25 -0.13 2.92 1.01 -0.29 -0.89 120.40 128.86 2jc3 s VAL 275 Ca 0.13 0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.72 2jc3 s VAL 275 Cb -0.20 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 2jc3 s VAL 275 CO -0.04 0.48 -0.18 -0.69 0.00 0.00 0.00 175.10 174.67 2jc3 s VAL 276 N -0.23 2.54 0.05 2.92 1.01 -0.51 0.08 120.40 126.27 2jc3 s VAL 276 Ca 0.19 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.42 2jc3 s VAL 276 Cb -0.14 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2jc3 s VAL 276 CO 0.07 0.54 -0.23 0.00 0.00 0.00 0.00 175.10 175.47 2jc3 s ALA 277 N 0.51 1.98 -0.06 5.51 0.00 0.04 -0.62 121.76 129.12 2jc3 s ALA 277 Ca -0.12 -1.17 -0.25 0.00 0.00 0.00 0.00 51.96 50.42 2jc3 s ALA 277 Cb -0.16 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 2jc3 s ALA 277 CO 0.05 0.45 0.78 0.42 0.00 0.00 0.00 175.76 177.45 2jc3 s ILE 278 N -0.84 4.99 -0.36 0.00 -1.09 -1.03 -1.21 121.20 121.66 2jc3 s ILE 278 Ca 0.09 1.61 -0.10 0.00 -2.23 0.00 0.00 60.65 60.02 2jc3 s ILE 278 Cb -0.09 -4.11 0.03 0.00 -1.58 0.00 0.00 42.46 36.70 2jc3 s ILE 278 CO 0.02 0.22 0.18 -0.63 -1.23 0.00 0.00 174.94 173.50 2jc3 s ILE 279 N 0.93 4.40 0.29 2.92 -1.09 -0.17 -4.75 121.20 123.72 2jc3 s ILE 279 Ca 0.41 -0.90 0.08 0.00 -2.23 0.00 0.00 60.65 58.01 2jc3 s ILE 279 Cb -0.18 -3.45 0.01 0.00 -1.58 0.00 0.00 42.46 37.25 2jc3 s ILE 279 CO 0.20 -0.21 1.66 0.00 -1.23 0.00 0.00 174.94 175.37 2jc3 s ASP 281 N -6.88 -0.04 0.59 0.00 3.84 -1.26 -1.17 116.67 111.74 2jc3 s ASP 281 Ca -0.03 -0.85 -0.05 0.00 -0.00 0.00 0.00 52.55 51.62 2jc3 s ASP 281 Cb 0.13 0.67 0.01 0.00 -1.38 0.00 0.00 42.92 42.35 2jc3 s ASP 281 CO 0.77 -1.32 0.89 -0.13 -0.00 0.00 0.00 175.17 175.38 2jc3 s ARG 282 N -2.50 2.90 0.00 2.11 0.52 -1.21 -3.00 118.95 117.77 2jc3 s ARG 282 Ca 0.17 -0.05 0.29 0.00 -0.52 0.00 0.00 55.73 55.62 2jc3 s ARG 282 Cb -0.04 -2.29 1.29 0.00 0.52 0.00 0.00 34.95 34.43 2jc3 s ARG 282 CO 0.08 -0.70 1.89 0.41 0.02 0.00 0.00 175.30 177.00 2jc3 n GLY 283 N -2.57 -0.80 0.23 -3.53 0.00 -0.94 -3.95 105.19 93.64 2jc3 n GLY 283 Ca 0.04 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.78 2jc3 n GLY 283 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jc3 h ASP 284 N 0.76 -0.29 0.24 1.61 3.32 -1.89 -0.82 116.42 119.35 2jc3 h ASP 284 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2jc3 h ASP 284 Cb 0.33 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2jc3 h ASP 284 CO 0.00 -0.12 0.00 0.54 -1.72 0.00 0.00 179.24 177.94 2jc3 n ARG 285 N -5.28 0.57 0.02 3.56 1.74 -1.26 -2.64 116.66 113.36 2jc3 n ARG 285 Ca 0.09 0.03 0.11 0.00 -0.77 0.00 0.00 57.85 57.30 2jc3 n ARG 285 Cb 0.35 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 2jc3 n ARG 285 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2jc3 n TYR 286 N -1.15 0.18 -0.21 -1.55 4.01 -0.32 -4.53 117.16 113.60 2jc3 n TYR 286 Ca 0.15 0.05 0.01 0.00 -0.16 0.00 0.00 57.90 57.95 2jc3 n TYR 286 Cb 0.14 -0.37 0.12 0.00 -0.31 0.00 0.00 39.34 38.92 2jc3 n TYR 286 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2jc3 h LEU 287 N 0.00 0.22 0.00 7.72 3.38 -1.42 -0.93 115.31 124.27 2jc3 h LEU 287 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jc3 h LEU 287 Cb 0.73 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2jc3 h LEU 287 CO 0.00 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.11 2jc3 n SER 288 N -5.00 0.00 -0.86 -0.43 3.41 -1.26 -2.25 113.62 107.23 2jc3 n SER 288 Ca 0.09 0.13 0.12 0.00 -0.26 0.00 0.00 58.87 58.96 2jc3 n SER 288 Cb 0.29 -0.31 0.26 0.00 -0.26 0.00 0.00 64.21 64.19 2jc3 n SER 288 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jc3 n THR 289 N -1.31 0.16 0.00 6.66 -2.24 -0.36 -4.97 114.28 112.22 2jc3 n THR 289 Ca 0.06 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2jc3 n THR 289 Cb 0.12 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 2jc3 n THR 289 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jc3 n GLY 290 N 1.32 2.71 0.24 3.38 0.00 -0.95 -4.86 105.19 107.03 2jc3 n GLY 290 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2jc3 n GLY 290 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2jc3 h VAL 291 N 0.00 0.00 0.00 1.61 -1.51 -1.83 -3.20 116.25 111.32 2jc3 h VAL 291 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2jc3 h VAL 291 Cb 0.00 0.50 0.00 0.00 -2.13 0.00 0.00 31.29 29.66 2jc3 h VAL 291 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 2jc3 n PHE 292 N -2.46 0.00 0.00 5.19 3.01 -1.26 -4.91 117.46 117.03 2jc3 n PHE 292 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2jc3 n PHE 292 Cb 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 2jc3 n PHE 292 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jc3 n GLY 293 N 2.44 0.00 0.00 1.37 0.00 -1.21 -5.13 105.19 102.66 2jc3 n GLY 293 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jc3 n GLY 293 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11