#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 0.00 -5.00 6.12 0.23 -1.26 -4.96 115.26 110.38 2jc3 n ASN 2 Ca 0.00 0.00 -0.19 0.00 -0.53 0.00 0.00 54.58 53.86 2jc3 n ASN 2 Cb 0.00 -1.77 0.03 0.00 -2.08 0.00 0.00 39.78 35.96 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 -0.75 2.54 0.49 5.53 -4.23 -1.26 -4.97 115.64 113.00 2jc3 s THR 3 Ca 0.00 -1.05 0.21 0.00 -1.18 0.00 0.00 61.69 59.67 2jc3 s THR 3 Cb 0.00 -2.60 0.38 0.00 1.34 0.00 0.00 72.50 71.62 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 0.48 0.16 -1.39 4.79 5.85 -1.99 -1.91 115.31 121.30 2jc3 h LEU 4 Ca -0.36 0.01 0.20 0.00 0.84 0.00 0.00 57.88 58.57 2jc3 h LEU 4 Cb 1.28 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.21 2jc3 h LEU 4 CO 0.45 0.09 0.61 -0.08 -0.34 0.00 0.00 178.44 179.16 2jc3 h GLU 5 N 0.18 0.48 0.00 1.25 4.81 -1.97 0.31 114.58 119.64 2jc3 h GLU 5 Ca 0.29 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2jc3 h GLU 5 Cb 0.91 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.18 2jc3 h GLU 5 CO -0.05 0.32 0.00 1.04 -0.73 0.00 0.00 179.01 179.59 2jc3 n GLN 6 N -4.57 0.71 -0.02 1.92 3.00 -0.72 -2.66 117.38 115.05 2jc3 n GLN 6 Ca 0.20 0.01 0.13 0.00 -0.01 0.00 0.00 57.00 57.34 2jc3 n GLN 6 Cb 0.68 -1.50 0.39 0.00 0.00 0.00 0.00 30.24 29.80 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 -1.08 0.05 -2.93 5.09 -2.24 0.11 -4.87 114.28 108.41 2jc3 n THR 7 Ca 0.18 -0.35 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 2jc3 n THR 7 Cb 0.12 0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.95 4.55 0.00 2.28 1.01 -1.09 -4.35 121.20 121.66 2jc3 s ILE 8 Ca 0.35 1.75 0.00 0.00 0.00 0.00 0.00 60.65 62.75 2jc3 s ILE 8 Cb 0.20 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2jc3 s ILE 8 CO 0.32 0.41 0.00 0.61 0.00 0.00 0.00 174.94 176.28 2jc3 n GLY 9 N 2.09 -2.32 3.81 6.18 0.00 -1.26 -4.95 105.19 108.74 2jc3 n GLY 9 Ca -0.03 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.47 -3.31 -4.83 1.61 3.02 -1.26 -4.95 115.26 105.08 2jc3 n ASN 10 Ca 0.00 -0.79 -0.32 0.00 -0.03 0.00 0.00 54.58 53.44 2jc3 n ASN 10 Cb 0.00 -4.00 0.01 0.00 -0.61 0.00 0.00 39.78 35.18 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 -3.46 4.17 0.58 3.41 -4.23 -1.26 -5.02 115.64 109.82 2jc3 s THR 11 Ca 0.38 0.91 -0.17 0.00 -1.18 0.00 0.00 61.69 61.63 2jc3 s THR 11 Cb -0.19 -3.54 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 2jc3 s THR 11 CO 0.82 -0.72 1.08 -2.16 -0.54 0.00 0.00 174.62 173.10 2jc3 s PRO 12 N -4.43 3.27 -0.22 3.99 0.04 -1.26 -4.80 135.00 131.59 2jc3 s PRO 12 Ca 0.60 1.36 0.02 0.00 0.04 0.00 0.00 61.00 63.02 2jc3 s PRO 12 Cb -0.13 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.44 2jc3 s PRO 12 CO 0.42 -0.87 -0.13 -1.17 0.04 0.00 0.00 177.00 175.29 2jc3 s LEU 13 N -4.28 2.80 0.17 -3.56 2.96 -1.26 -1.12 118.68 114.39 2jc3 s LEU 13 Ca 0.67 -1.08 0.11 0.00 -0.22 0.00 0.00 54.13 53.61 2jc3 s LEU 13 Cb -0.19 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 2jc3 s LEU 13 CO 0.33 -0.13 -0.24 0.68 -1.32 0.00 0.00 176.35 175.67 2jc3 s VAL 14 N 1.23 2.38 -0.01 1.68 -7.23 -0.24 -4.90 120.40 113.31 2jc3 s VAL 14 Ca -0.04 -1.92 -0.18 0.00 -1.81 0.00 0.00 61.98 58.04 2jc3 s VAL 14 Cb -0.17 -2.12 -0.06 0.00 0.56 0.00 0.00 36.38 34.60 2jc3 s VAL 14 CO -0.08 -0.05 0.51 -0.75 -0.31 0.00 0.00 175.10 174.43 2jc3 s LYS 15 N -2.48 4.19 0.34 4.82 2.20 -1.26 -0.09 119.74 127.46 2jc3 s LYS 15 Ca 0.19 0.59 -0.28 0.00 -0.36 0.00 0.00 55.97 56.11 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 0.09 0.48 1.21 -0.51 -0.36 0.00 0.00 175.35 176.26 2jc3 s LEU 16 N -0.49 4.38 -0.20 5.43 1.43 -0.41 -4.95 118.68 123.87 2jc3 s LEU 16 Ca 0.27 2.47 0.17 0.00 -1.03 0.00 0.00 54.13 56.01 2jc3 s LEU 16 Cb -0.17 -3.78 -0.24 0.00 0.03 0.00 0.00 46.19 42.03 2jc3 s LEU 16 CO 0.15 -0.49 0.06 0.00 0.23 0.00 0.00 176.35 176.30 2jc3 n GLN 17 N 0.64 0.78 -0.03 1.70 6.02 -1.26 -4.81 117.38 120.42 2jc3 n GLN 17 Ca 0.01 -0.01 -0.07 0.00 -0.01 0.00 0.00 57.00 56.93 2jc3 n GLN 17 Cb 0.44 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.17 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 0.15 -1.59 -1.09 1.74 -1.26 -5.05 116.66 106.82 2jc3 n ARG 18 Ca -0.32 0.06 -0.31 0.00 -0.77 0.00 0.00 57.85 56.50 2jc3 n ARG 18 Cb 1.14 -0.82 0.05 0.00 -1.02 0.00 0.00 32.46 31.81 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 -2.13 3.79 0.00 0.55 -4.36 -1.26 -4.93 121.20 112.87 2jc3 s ILE 19 Ca -0.09 0.64 0.00 0.00 -0.26 0.00 0.00 60.65 60.93 2jc3 s ILE 19 Cb 0.03 -3.27 0.00 0.00 1.25 0.00 0.00 42.46 40.47 2jc3 s ILE 19 CO 0.13 -0.71 0.00 0.61 0.24 0.00 0.00 174.94 175.21 2jc3 n GLY 20 N -1.57 2.34 3.76 6.27 0.00 -1.26 -4.97 105.19 109.76 2jc3 n GLY 20 Ca 0.08 -1.75 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.93 3.10 -1.02 1.61 0.04 -1.26 -4.95 135.00 128.59 2jc3 s PRO 21 Ca 0.00 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.77 2jc3 s PRO 21 Cb 0.00 -1.96 0.21 0.00 0.04 0.00 0.00 34.50 32.80 2jc3 s PRO 21 CO 0.00 -1.09 2.20 -3.47 0.04 0.00 0.00 177.00 174.68 2jc3 n ASP 22 N -1.49 7.49 -0.65 6.66 2.03 -1.26 -4.54 116.55 124.79 2jc3 n ASP 22 Ca 0.13 -3.45 0.05 0.00 0.52 0.00 0.00 54.79 52.04 2jc3 n ASP 22 Cb 0.50 -1.23 0.20 0.00 -0.72 0.00 0.00 41.12 39.86 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 0.64 2.36 0.00 1.67 2.04 -1.26 -4.95 115.26 115.76 2jc3 n ASN 23 Ca 0.54 -3.55 0.00 0.00 -0.44 0.00 0.00 54.58 51.13 2jc3 n ASN 23 Cb 0.30 -0.53 0.00 0.00 -2.53 0.00 0.00 39.78 37.01 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 -1.12 1.99 3.84 4.83 0.00 -1.26 -2.45 105.19 111.01 2jc3 n GLY 24 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.38 6.87 0.00 1.61 1.04 -1.26 -3.97 113.70 114.61 2jc3 s SER 25 Ca 0.00 1.41 0.07 0.00 0.48 0.00 0.00 55.95 57.91 2jc3 s SER 25 Cb 0.00 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.67 2jc3 s SER 25 CO 0.00 -0.21 -0.22 -1.61 0.98 0.00 0.00 173.24 172.18 2jc3 s GLU 26 N -2.88 2.12 -0.27 4.02 2.02 0.11 -4.89 118.70 118.92 2jc3 s GLU 26 Ca 0.55 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.61 2jc3 s GLU 26 Cb -0.11 -2.13 0.05 0.00 0.10 0.00 0.00 34.13 32.04 2jc3 s GLU 26 CO 0.17 0.56 -0.06 0.42 0.02 0.00 0.00 175.26 176.37 2jc3 s ILE 27 N -0.74 2.59 -0.12 -1.63 1.01 -1.26 -1.09 121.20 119.96 2jc3 s ILE 27 Ca 0.12 -1.42 -0.05 0.00 0.00 0.00 0.00 60.65 59.30 2jc3 s ILE 27 Cb -0.10 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 2jc3 s ILE 27 CO 0.01 -0.00 0.05 0.26 0.00 0.00 0.00 174.94 175.26 2jc3 s TRP 28 N 1.20 3.30 -0.08 3.97 0.52 0.62 -1.28 118.94 127.19 2jc3 s TRP 28 Ca -0.06 0.25 0.03 0.00 0.02 0.00 0.00 56.10 56.34 2jc3 s TRP 28 Cb -0.19 -1.90 -0.02 0.00 -1.15 0.00 0.00 33.47 30.21 2jc3 s TRP 28 CO -0.04 0.46 -0.16 0.14 0.02 0.00 0.00 176.95 177.37 2jc3 s VAL 29 N -0.61 2.86 -0.42 4.03 -7.23 0.88 -1.04 120.40 118.86 2jc3 s VAL 29 Ca 0.11 -0.77 -0.18 0.00 -1.81 0.00 0.00 61.98 59.33 2jc3 s VAL 29 Cb -0.12 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.71 2jc3 s VAL 29 CO 0.02 0.56 0.50 -0.75 -0.31 0.00 0.00 175.10 175.12 2jc3 s LYS 30 N -0.23 3.18 -1.35 4.82 2.47 -0.31 -1.08 119.74 127.23 2jc3 s LYS 30 Ca 0.00 -0.61 -0.15 0.00 -1.56 0.00 0.00 55.97 53.65 2jc3 s LYS 30 Cb -0.13 -3.95 0.08 0.00 -1.46 0.00 0.00 37.83 32.37 2jc3 s LYS 30 CO 0.03 -0.88 1.93 1.28 0.16 0.00 0.00 175.35 177.87 2jc3 n LEU 31 N 5.79 5.95 0.00 5.43 4.77 -0.27 -0.70 117.00 137.97 2jc3 n LEU 31 Ca -0.06 -4.14 0.05 0.00 -0.03 0.00 0.00 56.01 51.83 2jc3 n LEU 31 Cb 0.48 -1.67 0.21 0.00 -2.33 0.00 0.00 43.42 40.11 2jc3 n LEU 31 CO 0.48 0.74 0.65 -0.62 -1.33 0.00 0.00 177.39 177.31 2jc3 n GLU 32 N 6.68 0.00 0.13 3.23 -0.58 -0.14 -1.39 120.64 128.57 2jc3 n GLU 32 Ca 0.48 0.33 0.11 0.00 -0.42 0.00 0.00 57.16 57.66 2jc3 n GLU 32 Cb 0.42 -1.50 0.50 0.00 -0.57 0.00 0.00 31.44 30.29 2jc3 n GLU 32 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jc3 n GLY 33 N -0.49 -1.19 0.08 0.62 0.00 -1.24 -2.32 105.19 100.65 2jc3 n GLY 33 Ca 0.02 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.22 0.47 -4.73 1.61 4.13 -0.49 -4.11 115.26 109.92 2jc3 n ASN 34 Ca 0.01 0.60 -0.35 0.00 1.68 0.00 0.00 54.58 56.53 2jc3 n ASN 34 Cb 0.19 -0.70 0.08 0.00 -1.54 0.00 0.00 39.78 37.81 2jc3 n ASN 34 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2jc3 s ASN 35 N -3.87 4.36 0.36 6.41 -0.87 -0.98 -4.87 114.94 115.49 2jc3 s ASN 35 Ca 0.06 2.42 0.16 0.00 -1.57 0.00 0.00 52.86 53.93 2jc3 s ASN 35 Cb 0.10 -2.60 1.05 0.00 -0.02 0.00 0.00 41.25 39.79 2jc3 s ASN 35 CO 0.39 -2.15 1.72 1.55 -2.57 0.00 0.00 177.10 176.04 2jc3 h PRO 36 N -0.02 0.40 -0.59 -0.60 0.13 -1.87 0.11 132.00 129.56 2jc3 h PRO 36 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2jc3 h PRO 36 Cb 1.30 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jc3 h PRO 36 CO 0.51 0.27 0.00 0.00 -0.23 0.00 0.00 178.00 178.55 2jc3 n ALA 37 N -2.38 3.37 -1.12 -0.56 0.00 -1.26 -4.97 120.51 113.59 2jc3 n ALA 37 Ca 0.28 -1.76 -0.04 0.00 0.00 0.00 0.00 53.44 51.92 2jc3 n ALA 37 Cb 0.91 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.32 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 0.83 0.71 3.36 0.00 0.00 0.37 -4.87 105.19 105.59 2jc3 n GLY 38 Ca 0.26 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.95 -0.38 0.57 1.61 1.04 -1.22 -3.32 113.70 109.06 2jc3 s SER 39 Ca 0.00 -0.19 0.27 0.00 0.48 0.00 0.00 55.95 56.51 2jc3 s SER 39 Cb 0.00 0.53 1.55 0.00 0.10 0.00 0.00 66.02 68.20 2jc3 s SER 39 CO 0.00 -0.91 2.07 1.62 0.98 0.00 0.00 173.24 177.00 2jc3 h VAL 40 N 2.21 0.57 0.00 5.02 3.04 -0.95 -2.42 116.25 123.72 2jc3 h VAL 40 Ca -0.34 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 2jc3 h VAL 40 Cb 1.28 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 2jc3 h VAL 40 CO 0.43 0.00 0.00 0.11 -1.01 0.00 0.00 177.57 177.10 2jc3 h LYS 41 N 0.00 0.00 -0.69 4.17 1.79 -1.89 -2.30 116.57 117.65 2jc3 h LYS 41 Ca 0.12 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.67 2jc3 h LYS 41 Cb 0.59 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.20 2jc3 h LYS 41 CO -0.00 0.00 0.46 -0.44 -1.08 0.00 0.00 179.45 178.38 2jc3 h ASP 42 N 0.00 0.55 0.45 0.86 5.19 -1.77 -0.59 116.42 121.11 2jc3 h ASP 42 Ca 0.00 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 2jc3 h ASP 42 Cb 0.01 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.42 2jc3 h ASP 42 CO 0.00 0.34 -0.22 0.03 -3.12 0.00 0.00 179.24 176.27 2jc3 h ARG 43 N 0.62 -0.59 -0.48 3.56 3.08 -1.66 -1.62 114.38 117.30 2jc3 h ARG 43 Ca 0.31 0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.32 2jc3 h ARG 43 Cb 0.40 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2jc3 h ARG 43 CO -0.10 -0.33 -0.04 0.00 -1.07 0.00 0.00 179.97 178.43 2jc3 h ALA 44 N -0.24 1.04 -0.85 0.04 0.00 -1.68 -1.02 119.26 116.56 2jc3 h ALA 44 Ca -0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2jc3 h ALA 44 Cb 0.53 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2jc3 h ALA 44 CO 0.10 0.59 0.39 0.00 0.00 0.00 0.00 179.25 180.34 2jc3 h ALA 45 N 1.20 1.09 -0.15 0.00 0.00 -1.05 0.12 119.26 120.47 2jc3 h ALA 45 Ca 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2jc3 h ALA 45 Cb 0.51 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2jc3 h ALA 45 CO 0.03 0.67 -0.05 1.25 0.00 0.00 0.00 179.25 181.15 2jc3 h LEU 46 N 1.21 0.31 -0.12 0.00 5.85 -0.93 -2.97 115.31 118.66 2jc3 h LEU 46 Ca 0.29 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2jc3 h LEU 46 Cb 0.14 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2jc3 h LEU 46 CO -0.03 0.63 0.08 -1.28 -0.34 0.00 0.00 178.44 177.49 2jc3 h SER 47 N -0.01 0.15 -1.01 1.25 0.87 -0.93 0.31 113.55 114.18 2jc3 h SER 47 Ca 0.04 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2jc3 h SER 47 Cb 0.50 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.37 2jc3 h SER 47 CO 0.02 0.14 0.66 0.24 -0.53 0.00 0.00 176.83 177.36 2jc3 h MET 48 N 0.14 1.25 -0.01 2.24 2.86 -0.84 -0.28 114.93 120.29 2jc3 h MET 48 Ca 0.04 -0.08 -0.17 0.00 -2.06 0.00 0.00 59.70 57.44 2jc3 h MET 48 Cb 0.02 -0.28 0.01 0.00 0.06 0.00 0.00 31.60 31.41 2jc3 h MET 48 CO -0.01 0.83 -0.66 0.82 1.06 0.00 0.00 176.91 178.95 2jc3 h ILE 49 N 1.29 1.40 -0.46 -1.22 2.04 -1.32 -2.46 117.51 116.78 2jc3 h ILE 49 Ca 0.39 -2.07 -0.03 0.00 1.00 0.00 0.00 64.86 64.15 2jc3 h ILE 49 Cb -0.03 2.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 2jc3 h ILE 49 CO -0.12 0.61 0.15 0.58 0.00 0.00 0.00 178.15 179.37 2jc3 h VAL 50 N -0.00 1.22 -0.44 1.67 2.07 -0.20 -1.43 116.25 119.14 2jc3 h VAL 50 Ca -0.08 -0.72 -0.11 0.00 0.82 0.00 0.00 66.70 66.61 2jc3 h VAL 50 Cb 1.35 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2jc3 h VAL 50 CO 0.13 0.26 -0.16 -0.33 0.02 0.00 0.00 177.57 177.49 2jc3 h GLU 51 N 0.60 0.84 -0.58 1.57 4.39 -1.14 -1.11 114.58 119.15 2jc3 h GLU 51 Ca 0.15 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 2jc3 h GLU 51 Cb 0.25 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2jc3 h GLU 51 CO -0.01 0.94 0.30 0.00 -1.16 0.00 0.00 179.01 179.08 2jc3 h ALA 52 N 1.08 1.42 -0.37 3.43 0.00 -1.24 -1.34 119.26 122.24 2jc3 h ALA 52 Ca 0.11 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2jc3 h ALA 52 Cb 0.67 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2jc3 h ALA 52 CO 0.05 0.46 0.02 0.93 0.00 0.00 0.00 179.25 180.72 2jc3 h GLU 53 N 0.82 0.64 -0.51 0.00 5.08 -0.71 -1.45 114.58 118.45 2jc3 h GLU 53 Ca 0.21 -0.19 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2jc3 h GLU 53 Cb 0.06 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2jc3 h GLU 53 CO -0.03 0.73 0.34 0.87 -1.00 0.00 0.00 179.01 179.92 2jc3 h LYS 54 N 0.47 0.42 -0.01 2.33 1.57 -0.42 -0.12 116.57 120.82 2jc3 h LYS 54 Ca 0.11 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2jc3 h LYS 54 Cb 0.42 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2jc3 h LYS 54 CO 0.01 0.28 -0.06 0.54 -0.57 0.00 0.00 179.45 179.66 2jc3 n ARG 55 N -4.47 0.98 -1.05 3.15 1.74 -0.58 -4.91 116.66 111.51 2jc3 n ARG 55 Ca 0.07 -0.34 -0.02 0.00 -0.77 0.00 0.00 57.85 56.80 2jc3 n ARG 55 Cb 0.25 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 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 1.19 0.52 0.18 -0.13 0.00 -0.06 -4.91 105.19 101.98 2jc3 n GLY 56 Ca 0.18 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 0.48 0.00 -3.64 1.61 5.08 -1.49 -3.46 114.58 113.16 2jc3 h GLU 57 Ca -0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 2jc3 h GLU 57 Cb 0.22 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.29 2jc3 h GLU 57 CO 0.05 0.29 -0.46 0.96 -1.00 0.00 0.00 179.01 178.85 2jc3 s ILE 58 N -3.16 0.11 0.01 3.13 -4.36 -1.24 -5.00 121.20 110.70 2jc3 s ILE 58 Ca 0.04 -0.93 -0.01 0.00 -0.26 0.00 0.00 60.65 59.49 2jc3 s ILE 58 Cb 0.07 -0.82 -0.01 0.00 1.25 0.00 0.00 42.46 42.94 2jc3 s ILE 58 CO 0.70 -0.51 -0.01 -0.54 0.24 0.00 0.00 174.94 174.82 2jc3 s LYS 59 N -2.38 0.27 0.15 0.37 -0.14 -1.26 -4.46 119.74 112.30 2jc3 s LYS 59 Ca -0.07 -0.47 -0.33 0.00 -1.36 0.00 0.00 55.97 53.74 2jc3 s LYS 59 Cb -0.02 0.10 -0.16 0.00 -1.68 0.00 0.00 37.83 36.07 2jc3 s LYS 59 CO -0.03 -0.05 1.08 -2.30 -0.76 0.00 0.00 175.35 173.29 2jc3 n PRO 60 N 1.85 0.89 0.00 -1.68 -0.02 -1.26 -1.72 135.00 133.06 2jc3 n PRO 60 Ca -0.22 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2jc3 n PRO 60 Cb 0.56 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 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 1.94 2.32 3.78 -1.23 0.00 0.45 -4.99 105.19 107.45 2jc3 n GLY 61 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.03 4.60 -0.04 1.61 -0.00 -0.70 -4.54 116.67 116.56 2jc3 s ASP 62 Ca 0.00 1.70 -0.18 0.00 -0.00 0.00 0.00 52.55 54.07 2jc3 s ASP 62 Cb 0.00 -2.44 -0.05 0.00 -0.00 0.00 0.00 42.92 40.43 2jc3 s ASP 62 CO 0.00 -1.95 0.49 -0.69 -0.00 0.00 0.00 175.17 173.02 2jc3 s VAL 63 N -2.96 5.04 0.03 -1.27 1.01 -1.26 -1.48 120.40 119.50 2jc3 s VAL 63 Ca 0.61 1.01 0.06 0.00 0.00 0.00 0.00 61.98 63.66 2jc3 s VAL 63 Cb -0.16 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2jc3 s VAL 63 CO 0.56 0.44 -0.15 -0.76 0.00 0.00 0.00 175.10 175.18 2jc3 s LEU 64 N -0.17 2.74 -0.01 3.92 1.02 0.04 -1.15 118.68 125.07 2jc3 s LEU 64 Ca 0.27 -0.35 0.03 0.00 0.02 0.00 0.00 54.13 54.10 2jc3 s LEU 64 Cb -0.17 -1.59 -0.01 0.00 0.02 0.00 0.00 46.19 44.45 2jc3 s LEU 64 CO 0.13 0.27 -0.10 -0.63 0.02 0.00 0.00 176.35 176.04 2jc3 s ILE 65 N -0.93 0.83 -0.26 -0.59 1.01 0.73 -0.98 121.20 121.02 2jc3 s ILE 65 Ca 0.15 -0.44 -0.25 0.00 0.00 0.00 0.00 60.65 60.10 2jc3 s ILE 65 Cb -0.11 -0.70 0.08 0.00 0.01 0.00 0.00 42.46 41.74 2jc3 s ILE 65 CO 0.05 0.24 0.77 -0.70 0.00 0.00 0.00 174.94 175.30 2jc3 s GLU 66 N -0.19 0.79 -0.31 2.79 2.56 -0.94 -1.98 118.70 121.42 2jc3 s GLU 66 Ca 0.03 0.89 -0.14 0.00 0.00 0.00 0.00 54.97 55.75 2jc3 s GLU 66 Cb -0.05 0.39 -0.03 0.00 2.00 0.00 0.00 34.13 36.44 2jc3 s GLU 66 CO -0.00 -0.11 0.30 0.00 -0.56 0.00 0.00 175.26 174.89 2jc3 s ALA 67 N 0.26 3.52 0.00 6.30 0.00 -1.26 -1.51 121.76 129.07 2jc3 s ALA 67 Ca -0.00 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2jc3 s ALA 67 Cb -0.05 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.39 2jc3 s ALA 67 CO 0.00 -0.82 0.00 -2.37 0.00 0.00 0.00 175.76 172.57 2jc3 n THR 68 N 5.14 0.00 -2.02 0.00 5.66 -0.23 -4.89 114.28 117.94 2jc3 n THR 68 Ca -0.11 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.89 2jc3 n THR 68 Cb 0.50 0.00 -0.01 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 -0.07 0.00 1.09 3.41 -1.26 -4.31 113.62 112.48 2jc3 n SER 69 Ca 0.00 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 2jc3 n SER 69 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 0.02 4.72 0.37 5.00 0.00 -1.26 -4.86 105.19 109.18 2jc3 n GLY 70 Ca -0.03 -1.63 0.07 0.00 0.00 0.00 0.00 46.02 44.42 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 0.89 -0.53 1.61 2.35 -1.99 -0.67 115.58 117.24 2jc3 h ASN 71 Ca 0.00 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2jc3 h ASN 71 Cb 0.00 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 2jc3 h ASN 71 CO 0.00 0.51 0.32 0.74 -1.65 0.00 0.00 177.43 177.34 2jc3 h THR 72 N 0.97 1.16 -0.71 2.81 2.02 -1.94 0.49 112.91 117.72 2jc3 h THR 72 Ca 0.46 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 67.21 2jc3 h THR 72 Cb 0.42 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 2jc3 h THR 72 CO -0.22 0.17 0.23 1.23 0.37 0.00 0.00 175.52 177.30 2jc3 h GLY 73 N 0.71 1.18 0.80 2.16 0.00 -1.56 0.13 103.07 106.49 2jc3 h GLY 73 Ca 0.19 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 2jc3 h GLY 73 CO -0.04 0.65 0.02 -2.22 0.00 0.00 0.00 176.54 174.95 2jc3 h ILE 74 N 1.04 1.22 -0.83 2.60 2.04 -0.44 -0.22 117.51 122.92 2jc3 h ILE 74 Ca 0.23 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 2jc3 h ILE 74 Cb 0.29 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 2jc3 h ILE 74 CO -0.01 0.21 0.46 0.00 0.00 0.00 0.00 178.15 178.81 2jc3 h ALA 75 N 0.80 1.06 -0.35 1.87 0.00 0.16 -1.01 119.26 121.79 2jc3 h ALA 75 Ca 0.04 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 2jc3 h ALA 75 Cb 0.30 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jc3 h ALA 75 CO 0.00 0.56 -0.40 -0.07 0.00 0.00 0.00 179.25 179.34 2jc3 h LEU 76 N 1.15 0.95 -1.04 0.00 3.38 -0.62 -1.39 115.31 117.74 2jc3 h LEU 76 Ca 0.29 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2jc3 h LEU 76 Cb 0.01 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 2jc3 h LEU 76 CO -0.05 1.24 0.59 0.00 0.09 0.00 0.00 178.44 180.31 2jc3 h ALA 77 N 0.74 1.29 -0.07 1.53 0.00 -0.71 -0.04 119.26 122.00 2jc3 h ALA 77 Ca 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2jc3 h ALA 77 Cb 0.99 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2jc3 h ALA 77 CO 0.10 0.63 -0.01 1.98 0.00 0.00 0.00 179.25 181.95 2jc3 h MET 78 N 1.27 0.14 -0.30 0.00 1.85 -0.99 -1.27 114.93 115.62 2jc3 h MET 78 Ca 0.34 -0.05 -0.03 0.00 -0.61 0.00 0.00 59.70 59.34 2jc3 h MET 78 Cb -0.10 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 31.90 2jc3 h MET 78 CO -0.07 0.45 0.05 0.82 -0.40 0.00 0.00 176.91 177.76 2jc3 h ILE 79 N -0.18 1.16 -0.26 1.77 1.08 -0.96 0.22 117.51 120.34 2jc3 h ILE 79 Ca 0.02 -0.58 -0.14 0.00 -0.39 0.00 0.00 64.86 63.76 2jc3 h ILE 79 Cb 0.39 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 2jc3 h ILE 79 CO 0.01 0.21 -0.42 0.00 -0.69 0.00 0.00 178.15 177.25 2jc3 h ALA 80 N 1.62 0.77 -0.19 1.87 0.00 -0.83 0.19 119.26 122.70 2jc3 h ALA 80 Ca 0.10 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 2jc3 h ALA 80 Cb 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jc3 h ALA 80 CO 0.00 0.66 -0.66 0.00 0.00 0.00 0.00 179.25 179.24 2jc3 h ALA 81 N 1.02 0.46 -0.22 0.00 0.00 -0.65 0.20 119.26 120.06 2jc3 h ALA 81 Ca 0.04 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 2jc3 h ALA 81 Cb 0.95 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2jc3 h ALA 81 CO 0.09 0.69 0.01 1.25 0.00 0.00 0.00 179.25 181.29 2jc3 h LEU 82 N 0.53 0.37 -0.66 0.00 5.85 -0.31 -3.30 115.31 117.79 2jc3 h LEU 82 Ca -0.02 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2jc3 h LEU 82 Cb 1.27 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2jc3 h LEU 82 CO 0.14 0.57 -0.39 0.29 -0.34 0.00 0.00 178.44 178.70 2jc3 n LYS 83 N -4.69 0.92 -0.68 1.25 5.02 0.64 -5.00 118.16 115.63 2jc3 n LYS 83 Ca -0.04 -0.66 0.00 0.00 -2.02 0.00 0.00 58.31 55.59 2jc3 n LYS 83 Cb 0.22 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 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 1.39 1.34 3.63 0.72 0.00 0.02 -4.78 105.19 107.51 2jc3 n GLY 84 Ca 0.10 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.09 2.73 -0.39 1.61 2.02 0.48 -0.41 117.35 121.30 2jc3 s TYR 85 Ca 0.00 -0.20 -0.16 0.00 -0.37 0.00 0.00 57.07 56.34 2jc3 s TYR 85 Cb 0.00 -1.27 0.01 0.00 -0.40 0.00 0.00 41.96 40.30 2jc3 s TYR 85 CO 0.00 0.56 0.40 1.03 -1.57 0.00 0.00 175.55 175.97 2jc3 s ARG 86 N -3.27 3.30 -0.13 -0.62 0.52 -0.55 -4.46 118.95 113.74 2jc3 s ARG 86 Ca 0.29 -0.62 -0.13 0.00 -0.52 0.00 0.00 55.73 54.75 2jc3 s ARG 86 Cb -0.08 -3.90 -0.05 0.00 0.52 0.00 0.00 34.95 31.45 2jc3 s ARG 86 CO 0.18 -0.70 0.28 1.41 0.02 0.00 0.00 175.30 176.49 2jc3 s MET 87 N 2.06 4.09 -0.17 3.54 1.75 -1.26 -0.78 119.30 128.53 2jc3 s MET 87 Ca 0.12 0.09 0.01 0.00 -1.25 0.00 0.00 55.69 54.65 2jc3 s MET 87 Cb -0.17 -3.36 0.02 0.00 2.84 0.00 0.00 34.83 34.16 2jc3 s MET 87 CO 0.12 0.38 -0.20 0.15 -0.65 0.00 0.00 175.02 174.83 2jc3 s LYS 88 N 0.04 2.92 -0.12 4.11 1.02 -0.15 -0.62 119.74 126.94 2jc3 s LYS 88 Ca 0.17 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.36 2jc3 s LYS 88 Cb -0.13 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.66 2jc3 s LYS 88 CO 0.05 -0.19 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.63 2jc3 s LEU 89 N 1.24 2.60 -0.10 3.17 1.43 0.09 -2.21 118.68 124.89 2jc3 s LEU 89 Ca 0.03 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2jc3 s LEU 89 Cb -0.13 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 2jc3 s LEU 89 CO -0.11 0.18 0.00 -0.76 0.23 0.00 0.00 176.35 175.89 2jc3 s LEU 90 N 0.25 3.58 0.04 1.79 1.02 -0.57 -0.30 118.68 124.49 2jc3 s LEU 90 Ca -0.10 0.11 -0.28 0.00 0.02 0.00 0.00 54.13 53.88 2jc3 s LEU 90 Cb -0.16 -1.83 0.09 0.00 0.02 0.00 0.00 46.19 44.31 2jc3 s LEU 90 CO 0.06 0.33 0.90 0.00 0.02 0.00 0.00 176.35 177.66 2jc3 s MET 91 N -0.62 0.92 0.66 1.70 0.23 -0.92 -1.07 119.30 120.21 2jc3 s MET 91 Ca 0.10 -0.39 -0.15 0.00 -1.03 0.00 0.00 55.69 54.22 2jc3 s MET 91 Cb -0.12 0.39 0.00 0.00 -1.53 0.00 0.00 34.83 33.58 2jc3 s MET 91 CO 0.02 -0.41 1.12 -1.25 -2.03 0.00 0.00 175.02 172.47 2jc3 s PRO 92 N -3.18 2.75 0.00 3.16 0.04 -1.26 -1.09 135.00 135.42 2jc3 s PRO 92 Ca 0.07 1.44 0.04 0.00 0.04 0.00 0.00 61.00 62.59 2jc3 s PRO 92 Cb -0.01 -1.94 0.26 0.00 0.04 0.00 0.00 34.50 32.85 2jc3 s PRO 92 CO -0.06 -1.30 0.68 -3.47 0.04 0.00 0.00 177.00 172.89 2jc3 n ASP 93 N -2.41 0.00 -1.75 6.66 4.64 -0.05 -3.64 116.55 120.00 2jc3 n ASP 93 Ca 0.11 -0.70 -0.18 0.00 -1.38 0.00 0.00 54.79 52.63 2jc3 n ASP 93 Cb 0.52 0.00 0.12 0.00 -1.04 0.00 0.00 41.12 40.72 2jc3 n ASP 93 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 2jc3 n ASN 94 N -0.66 4.45 -4.80 1.67 0.23 -1.26 -4.89 115.26 109.99 2jc3 n ASN 94 Ca 0.03 -3.77 -0.37 0.00 -0.53 0.00 0.00 54.58 49.94 2jc3 n ASN 94 Cb 0.01 -0.64 -0.06 0.00 -2.08 0.00 0.00 39.78 37.01 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 -3.49 3.99 0.99 -3.83 -1.94 -1.24 -5.06 119.30 108.72 2jc3 s MET 95 Ca 0.52 0.22 -0.14 0.00 -1.71 0.00 0.00 55.69 54.58 2jc3 s MET 95 Cb 0.44 -3.30 0.07 0.00 2.01 0.00 0.00 34.83 34.04 2jc3 s MET 95 CO 0.01 0.51 0.39 -1.13 -0.01 0.00 0.00 175.02 174.79 2jc3 n SER 96 N 2.59 -1.99 0.13 3.03 3.41 -1.26 -4.78 113.62 114.75 2jc3 n SER 96 Ca -0.14 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2jc3 n SER 96 Cb 0.53 -1.17 0.12 0.00 -0.26 0.00 0.00 64.21 63.42 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 -1.73 0.00 -0.12 4.33 1.08 -1.99 -2.43 115.11 114.26 2jc3 h GLN 97 Ca -0.46 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 56.54 2jc3 h GLN 97 Cb 1.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 2jc3 h GLN 97 CO 0.36 0.61 -0.74 0.93 -0.95 0.00 0.00 178.83 179.04 2jc3 h GLU 98 N 0.00 0.57 -0.54 1.46 5.08 -1.98 0.18 114.58 119.35 2jc3 h GLU 98 Ca -0.01 -0.46 -0.08 0.00 -1.00 0.00 0.00 59.36 57.81 2jc3 h GLU 98 Cb 1.26 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 2jc3 h GLU 98 CO 0.08 1.09 0.02 -0.09 -1.00 0.00 0.00 179.01 179.10 2jc3 h ARG 99 N 0.39 0.90 0.00 2.33 2.43 -1.88 -1.95 114.38 116.60 2jc3 h ARG 99 Ca -0.04 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 58.85 2jc3 h ARG 99 Cb 1.34 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2jc3 h ARG 99 CO 0.14 0.88 -0.51 0.07 -1.51 0.00 0.00 179.97 179.04 2jc3 h ARG 100 N 0.84 0.00 -0.47 0.20 0.11 -1.36 -3.27 114.38 110.43 2jc3 h ARG 100 Ca 0.16 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.12 2jc3 h ARG 100 Cb 0.47 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.54 2jc3 h ARG 100 CO 0.02 0.10 -0.20 0.00 0.10 0.00 0.00 179.97 179.99 2jc3 h ALA 101 N 1.88 0.76 -0.30 0.08 0.00 -0.59 -0.61 119.26 120.48 2jc3 h ALA 101 Ca -0.01 -0.38 0.09 0.00 0.00 0.00 0.00 54.91 54.60 2jc3 h ALA 101 Cb 1.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2jc3 h ALA 101 CO 0.01 0.66 0.25 0.00 0.00 0.00 0.00 179.25 180.18 2jc3 h ALA 102 N 0.95 2.13 0.04 0.00 0.00 -1.41 -0.07 119.26 120.90 2jc3 h ALA 102 Ca 0.11 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.66 2jc3 h ALA 102 Cb 0.76 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2jc3 h ALA 102 CO 0.06 -0.40 -1.96 -1.33 0.00 0.00 0.00 179.25 175.62 2jc3 n MET 103 N -4.15 0.65 -0.11 0.00 2.81 -1.01 -4.24 117.12 111.07 2jc3 n MET 103 Ca 0.04 0.34 0.07 0.00 -1.81 0.00 0.00 57.70 56.34 2jc3 n MET 103 Cb 0.41 -1.65 0.40 0.00 -0.71 0.00 0.00 33.22 31.67 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 -0.47 0.61 -1.04 0.03 3.08 -0.90 -2.60 114.38 113.09 2jc3 h ARG 104 Ca -0.48 -0.04 0.28 0.00 0.07 0.00 0.00 59.98 59.81 2jc3 h ARG 104 Cb 1.71 -0.14 -0.12 0.00 0.08 0.00 0.00 29.97 31.51 2jc3 h ARG 104 CO -0.13 0.40 0.64 0.00 -1.07 0.00 0.00 179.97 179.81 2jc3 h ALA 105 N 1.67 2.07 -0.05 0.04 0.00 -1.18 1.18 119.26 122.98 2jc3 h ALA 105 Ca 0.25 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2jc3 h ALA 105 Cb 0.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2jc3 h ALA 105 CO -0.07 -0.54 0.00 0.66 0.00 0.00 0.00 179.25 179.29 2jc3 n TYR 106 N -4.79 0.06 -0.67 0.00 4.02 -0.98 -4.88 117.16 109.92 2jc3 n TYR 106 Ca 0.28 -0.03 0.00 0.00 -0.01 0.00 0.00 57.90 58.14 2jc3 n TYR 106 Cb 0.89 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.21 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 0.91 0.66 3.78 2.72 0.00 0.41 -4.63 105.19 109.04 2jc3 n GLY 107 Ca 0.15 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 2.66 -0.14 4.61 0.00 -1.22 -4.81 121.76 120.85 2jc3 s ALA 108 Ca 0.00 0.65 -0.12 0.00 0.00 0.00 0.00 51.96 52.50 2jc3 s ALA 108 Cb 0.00 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 2jc3 s ALA 108 CO 0.00 -0.87 0.24 -2.00 0.00 0.00 0.00 175.76 173.13 2jc3 s GLU 109 N -3.63 4.02 -0.15 0.00 2.12 0.21 -4.53 118.70 116.74 2jc3 s GLU 109 Ca 0.69 0.01 -0.06 0.00 0.36 0.00 0.00 54.97 55.98 2jc3 s GLU 109 Cb -0.21 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 2jc3 s GLU 109 CO 0.32 0.42 0.04 -0.51 -0.54 0.00 0.00 175.26 174.99 2jc3 s LEU 110 N -0.07 3.74 -0.19 2.70 1.43 -1.26 -0.73 118.68 124.30 2jc3 s LEU 110 Ca 0.15 0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 53.36 2jc3 s LEU 110 Cb -0.13 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.19 2jc3 s LEU 110 CO 0.04 0.25 -0.16 -0.63 0.23 0.00 0.00 176.35 176.08 2jc3 s ILE 111 N -0.08 2.45 -0.11 -0.59 1.01 0.59 -4.94 121.20 119.53 2jc3 s ILE 111 Ca 0.06 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 59.79 2jc3 s ILE 111 Cb -0.12 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 2jc3 s ILE 111 CO 0.01 0.51 0.22 -0.76 0.00 0.00 0.00 174.94 174.92 2jc3 s LEU 112 N 1.28 4.36 0.51 2.97 1.43 -1.26 -2.18 118.68 125.80 2jc3 s LEU 112 Ca 0.04 0.54 0.07 0.00 -1.03 0.00 0.00 54.13 53.76 2jc3 s LEU 112 Cb -0.14 -2.23 0.03 0.00 0.03 0.00 0.00 46.19 43.88 2jc3 s LEU 112 CO -0.09 0.31 0.49 0.68 0.23 0.00 0.00 176.35 177.97 2jc3 s VAL 113 N -0.58 2.10 0.62 -1.59 -7.23 -0.25 -4.91 120.40 108.56 2jc3 s VAL 113 Ca 0.16 -1.32 -0.13 0.00 -1.81 0.00 0.00 61.98 58.88 2jc3 s VAL 113 Cb -0.13 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 2jc3 s VAL 113 CO 0.05 0.00 1.04 0.42 -0.31 0.00 0.00 175.10 176.30 2jc3 s THR 114 N -2.65 4.19 0.43 5.32 -4.23 -1.26 -0.87 115.64 116.57 2jc3 s THR 114 Ca 0.45 0.86 0.13 0.00 -1.18 0.00 0.00 61.69 61.96 2jc3 s THR 114 Cb -0.03 -3.54 0.33 0.00 1.34 0.00 0.00 72.50 70.59 2jc3 s THR 114 CO 0.28 -0.78 1.96 0.11 -0.54 0.00 0.00 174.62 175.65 2jc3 h LYS 115 N -0.01 0.43 0.24 3.99 1.57 -1.90 -0.27 116.57 120.61 2jc3 h LYS 115 Ca -0.45 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 2jc3 h LYS 115 Cb 1.20 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2jc3 h LYS 115 CO 0.59 0.28 -0.12 0.93 -0.57 0.00 0.00 179.45 180.57 2jc3 h GLU 116 N 0.44 -0.31 -0.95 3.15 3.07 -2.02 -2.87 114.58 115.10 2jc3 h GLU 116 Ca 0.30 0.02 0.20 0.00 -0.50 0.00 0.00 59.36 59.38 2jc3 h GLU 116 Cb 0.58 0.07 -0.08 0.00 -0.84 0.00 0.00 28.75 28.48 2jc3 h GLU 116 CO -0.09 0.04 0.61 1.96 -1.40 0.00 0.00 179.01 180.13 2jc3 h GLN 117 N -0.74 0.50 0.00 2.33 4.20 -1.77 -3.47 115.11 116.17 2jc3 h GLN 117 Ca -0.03 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2jc3 h GLN 117 Cb 0.49 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2jc3 h GLN 117 CO 0.05 0.33 0.00 0.41 -0.67 0.00 0.00 178.83 178.96 2jc3 n GLY 118 N -1.46 0.16 0.33 3.46 0.00 -0.17 -0.88 105.19 106.62 2jc3 n GLY 118 Ca 0.21 -0.91 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 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 0.97 -0.23 1.61 2.86 -1.89 -1.49 114.93 116.75 2jc3 h MET 119 Ca 0.00 -0.12 -0.13 0.00 -2.06 0.00 0.00 59.70 57.39 2jc3 h MET 119 Cb 0.00 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 2jc3 h MET 119 CO 0.00 0.74 -0.39 1.49 1.06 0.00 0.00 176.91 179.80 2jc3 h GLU 120 N 0.97 0.54 -0.65 1.72 4.57 -1.96 -0.02 114.58 119.75 2jc3 h GLU 120 Ca 0.24 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2jc3 h GLU 120 Cb 0.08 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 2jc3 h GLU 120 CO -0.03 0.85 0.36 0.78 -1.18 0.00 0.00 179.01 179.78 2jc3 h GLY 121 N 1.06 0.96 1.01 1.92 0.00 -0.40 -0.71 103.07 106.93 2jc3 h GLY 121 Ca 0.04 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 2jc3 h GLY 121 CO 0.08 0.42 0.21 0.00 0.00 0.00 0.00 176.54 177.24 2jc3 h ALA 122 N 1.17 0.82 -0.53 3.60 0.00 -0.72 0.17 119.26 123.78 2jc3 h ALA 122 Ca 0.23 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2jc3 h ALA 122 Cb 0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2jc3 h ALA 122 CO -0.04 0.49 0.31 0.00 0.00 0.00 0.00 179.25 180.01 2jc3 h ARG 123 N 0.90 0.61 -0.19 0.00 2.47 -0.50 -0.69 114.38 116.99 2jc3 h ARG 123 Ca 0.20 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.88 2jc3 h ARG 123 Cb 0.28 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 2jc3 h ARG 123 CO -0.01 0.40 0.09 -0.44 0.56 0.00 0.00 179.97 180.57 2jc3 h ASP 124 N 0.62 0.24 0.10 7.04 3.45 -0.56 -1.19 116.42 126.13 2jc3 h ASP 124 Ca 0.22 -0.13 -0.05 0.00 0.43 0.00 0.00 57.03 57.50 2jc3 h ASP 124 Cb 0.03 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 2jc3 h ASP 124 CO -0.10 0.31 -0.17 0.25 -1.57 0.00 0.00 179.24 177.96 2jc3 h LEU 125 N 0.17 0.13 -0.15 1.55 5.85 -0.43 -0.56 115.31 121.86 2jc3 h LEU 125 Ca 0.06 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 2jc3 h LEU 125 Cb 0.13 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 2jc3 h LEU 125 CO -0.01 0.31 -0.07 0.00 -0.34 0.00 0.00 178.44 178.34 2jc3 h ALA 126 N 1.70 0.22 -0.70 1.25 0.00 -0.72 -1.16 119.26 119.86 2jc3 h ALA 126 Ca 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2jc3 h ALA 126 Cb 0.38 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2jc3 h ALA 126 CO 0.02 0.01 0.36 1.25 0.00 0.00 0.00 179.25 180.90 2jc3 h LEU 127 N -0.01 0.89 0.40 0.00 5.85 -0.86 -0.29 115.31 121.29 2jc3 h LEU 127 Ca 0.04 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2jc3 h LEU 127 Cb 0.53 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2jc3 h LEU 127 CO 0.02 0.75 -0.26 0.00 -0.34 0.00 0.00 178.44 178.62 2jc3 h ALA 128 N 1.17 -0.64 -0.81 1.25 0.00 -1.03 -1.43 119.26 117.78 2jc3 h ALA 128 Ca 0.24 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.17 2jc3 h ALA 128 Cb 0.08 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 2jc3 h ALA 128 CO -0.03 -0.87 0.40 0.52 0.00 0.00 0.00 179.25 179.26 2jc3 h MET 129 N -0.64 0.57 -0.79 0.00 2.86 -0.96 0.64 114.93 116.62 2jc3 h MET 129 Ca -0.04 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 2jc3 h MET 129 Cb 0.53 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 2jc3 h MET 129 CO 0.03 0.38 0.30 0.66 1.06 0.00 0.00 176.91 179.34 2jc3 h SER 130 N 0.59 1.10 1.27 1.22 4.64 -0.65 -0.10 113.55 121.63 2jc3 h SER 130 Ca 0.44 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.51 2jc3 h SER 130 Cb 0.60 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2jc3 h SER 130 CO -0.35 0.99 -0.29 -0.33 -0.87 0.00 0.00 176.83 175.98 2jc3 h GLU 131 N 1.16 0.00 -0.04 4.77 5.08 -0.03 -1.08 114.58 124.44 2jc3 h GLU 131 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2jc3 h GLU 131 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2jc3 h GLU 131 CO -0.02 0.29 0.00 0.54 -1.00 0.00 0.00 179.01 178.82 2jc3 n ARG 132 N -3.29 0.97 -2.00 2.33 1.74 0.06 -4.85 116.66 111.62 2jc3 n ARG 132 Ca 0.01 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.96 2jc3 n ARG 132 Cb 0.55 -1.02 -0.02 0.00 -1.02 0.00 0.00 32.46 30.95 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 0.45 0.29 0.05 -0.13 0.00 -0.41 -4.94 105.19 100.51 2jc3 n GLY 133 Ca 0.00 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.41 0.32 0.00 1.61 1.02 -0.08 -4.99 120.64 116.11 2jc3 n GLU 134 Ca -0.16 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 2jc3 n GLU 134 Cb 0.57 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 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 1.39 2.39 3.66 0.62 0.00 -1.26 -4.77 105.19 107.22 2jc3 n GLY 135 Ca 0.10 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 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 4.26 0.18 1.61 2.36 -0.30 -4.42 119.74 121.44 2jc3 s LYS 136 Ca 0.00 1.42 -0.28 0.00 -2.55 0.00 0.00 55.97 54.56 2jc3 s LYS 136 Cb 0.00 -3.66 -0.08 0.00 -1.05 0.00 0.00 37.83 33.04 2jc3 s LYS 136 CO 0.00 -0.63 0.87 -1.17 1.55 0.00 0.00 175.35 175.97 2jc3 s LEU 137 N 3.20 4.60 -0.14 5.43 2.96 -1.26 -0.19 118.68 133.27 2jc3 s LEU 137 Ca 0.46 1.79 -0.06 0.00 -0.22 0.00 0.00 54.13 56.10 2jc3 s LEU 137 Cb -0.16 -3.47 -0.25 0.00 0.50 0.00 0.00 46.19 42.80 2jc3 s LEU 137 CO 0.08 0.13 0.28 0.18 -1.32 0.00 0.00 176.35 175.71 2jc3 n LEU 138 N 1.81 2.69 -3.32 -0.68 4.77 -0.84 -4.91 117.00 116.52 2jc3 n LEU 138 Ca -0.03 0.16 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 2jc3 n LEU 138 Cb 0.48 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2jc3 n LEU 138 CO 0.49 0.87 0.14 -0.67 -1.33 0.00 0.00 177.39 176.88 2jc3 n ASP 139 N -3.45 -6.74 -0.15 -1.43 4.64 -1.26 -4.46 116.55 103.70 2jc3 n ASP 139 Ca -0.34 -0.40 0.28 0.00 -1.38 0.00 0.00 54.79 52.95 2jc3 n ASP 139 Cb 1.04 -4.06 0.72 0.00 -1.04 0.00 0.00 41.12 37.78 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 0.12 0.00 0.00 -0.67 3.07 -1.96 0.57 115.11 116.24 2jc3 h GLN 140 Ca -0.24 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.44 2jc3 h GLN 140 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.70 2jc3 h GLN 140 CO 0.33 0.00 -0.30 0.74 0.09 0.00 0.00 178.83 179.69 2jc3 h PHE 141 N 0.00 0.00 0.00 0.06 0.04 -1.91 -3.37 116.94 111.76 2jc3 h PHE 141 Ca 0.40 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.17 2jc3 h PHE 141 Cb 1.73 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.88 2jc3 h PHE 141 CO 0.00 0.30 -0.11 0.09 -0.60 0.00 0.00 178.31 178.00 2jc3 n ASN 142 N -3.21 0.35 -4.64 2.17 3.02 -0.42 -2.30 115.26 110.23 2jc3 n ASN 142 Ca 0.02 -0.49 -0.43 0.00 -0.03 0.00 0.00 54.58 53.66 2jc3 n ASN 142 Cb 0.63 1.00 -0.02 0.00 -0.61 0.00 0.00 39.78 40.78 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 -1.15 6.67 0.26 6.41 3.84 0.06 -4.64 114.94 126.38 2jc3 s ASN 143 Ca 0.00 1.57 0.20 0.00 0.21 0.00 0.00 52.86 54.83 2jc3 s ASN 143 Cb 0.01 -2.54 0.98 0.00 -0.55 0.00 0.00 41.25 39.15 2jc3 s ASN 143 CO 0.04 -1.02 1.60 -2.65 -2.79 0.00 0.00 177.10 172.27 2jc3 n PRO 144 N 7.19 0.13 0.23 0.43 -0.02 -1.26 -2.12 135.00 139.59 2jc3 n PRO 144 Ca 0.16 0.55 0.14 0.00 -2.02 0.00 0.00 63.50 62.34 2jc3 n PRO 144 Cb 0.45 -1.87 0.46 0.00 -0.02 0.00 0.00 33.50 32.52 2jc3 n PRO 144 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2jc3 h ASP 145 N 0.00 0.00 0.02 2.55 3.45 -1.93 -2.45 116.42 118.07 2jc3 h ASP 145 Ca 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 2jc3 h ASP 145 Cb 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 2jc3 h ASP 145 CO 0.00 0.00 -0.01 -1.13 -1.57 0.00 0.00 179.24 176.53 2jc3 h ASN 146 N 0.00 -0.02 -0.07 6.45 -0.73 -1.71 -2.90 115.58 116.60 2jc3 h ASN 146 Ca 0.00 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.19 2jc3 h ASN 146 Cb 0.69 0.01 -0.00 0.00 0.27 0.00 0.00 38.32 39.28 2jc3 h ASN 146 CO 0.00 -0.01 0.06 1.55 -0.37 0.00 0.00 177.43 178.66 2jc3 h PRO 147 N -0.03 0.00 -0.47 6.67 0.13 -1.73 -1.77 132.00 134.79 2jc3 h PRO 147 Ca -0.00 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.20 2jc3 h PRO 147 Cb 0.02 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.12 2jc3 h PRO 147 CO 0.00 0.00 0.32 -0.92 -0.23 0.00 0.00 178.00 177.18 2jc3 h TYR 148 N 0.00 0.34 -0.55 1.56 3.20 -1.45 -1.04 116.97 119.04 2jc3 h TYR 148 Ca 0.03 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2jc3 h TYR 148 Cb 0.16 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 2jc3 h TYR 148 CO 0.00 0.18 0.32 0.00 -1.64 0.00 0.00 178.16 177.02 2jc3 h ALA 149 N 1.75 0.70 0.00 1.82 0.00 -1.10 -1.97 119.26 120.46 2jc3 h ALA 149 Ca 0.21 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2jc3 h ALA 149 Cb 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jc3 h ALA 149 CO -0.05 0.20 -0.48 0.45 0.00 0.00 0.00 179.25 179.37 2jc3 h HIS 150 N 0.74 0.00 -0.27 0.00 3.86 -1.40 0.39 115.15 118.47 2jc3 h HIS 150 Ca 0.20 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.25 2jc3 h HIS 150 Cb 0.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 2jc3 h HIS 150 CO -0.02 0.48 -0.45 -0.92 0.86 0.00 0.00 177.93 177.88 2jc3 h TYR 151 N 0.00 0.84 0.00 2.45 3.20 -1.01 0.33 116.97 122.78 2jc3 h TYR 151 Ca -0.00 -0.26 -0.12 0.00 3.14 0.00 0.00 58.73 61.48 2jc3 h TYR 151 Cb 1.14 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 2jc3 h TYR 151 CO 0.00 1.01 -1.63 0.25 -1.64 0.00 0.00 178.16 176.16 2jc3 n THR 152 N -4.02 0.78 0.00 1.81 -2.24 -0.76 -4.40 114.28 105.46 2jc3 n THR 152 Ca -0.02 -0.63 -0.00 0.00 -2.27 0.00 0.00 64.05 61.12 2jc3 n THR 152 Cb 0.56 -0.41 -0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.65 0.13 -0.14 4.28 -2.24 0.12 -4.64 114.28 109.13 2jc3 n THR 153 Ca -0.10 0.05 -0.06 0.00 -2.27 0.00 0.00 64.05 61.68 2jc3 n THR 153 Cb 0.75 -1.07 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 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 0.27 0.60 4.28 2.02 -1.64 0.25 112.91 118.68 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 0.27 0.01 0.00 -1.74 0.00 0.00 68.15 66.69 2jc3 h THR 154 CO 0.00 0.00 -0.29 1.23 0.37 0.00 0.00 175.52 176.83 2jc3 h GLY 155 N -0.19 -0.84 1.09 2.16 0.00 -0.59 -1.27 103.07 103.43 2jc3 h GLY 155 Ca 0.20 0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.92 2jc3 h GLY 155 CO -0.56 -0.31 0.41 -2.55 0.00 0.00 0.00 176.54 173.53 2jc3 h PRO 156 N -0.85 0.51 -0.08 4.80 0.11 -1.72 -1.50 132.00 133.27 2jc3 h PRO 156 Ca -0.08 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 2jc3 h PRO 156 Cb 0.63 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 2jc3 h PRO 156 CO 0.14 0.33 0.02 0.93 -0.21 0.00 0.00 178.00 179.21 2jc3 h GLU 157 N 0.52 0.12 -0.29 1.05 5.08 -0.63 -2.02 114.58 118.41 2jc3 h GLU 157 Ca 0.28 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2jc3 h GLU 157 Cb 0.41 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2jc3 h GLU 157 CO -0.08 0.33 0.15 0.82 -1.00 0.00 0.00 179.01 179.22 2jc3 h ILE 158 N -0.10 1.00 -0.82 3.13 2.04 -0.73 0.24 117.51 122.27 2jc3 h ILE 158 Ca 0.02 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.83 2jc3 h ILE 158 Cb 0.26 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 2jc3 h ILE 158 CO 0.00 0.06 0.51 -0.25 0.00 0.00 0.00 178.15 178.47 2jc3 h TRP 159 N 0.32 0.94 -0.09 1.37 2.91 -1.24 -1.02 115.95 119.13 2jc3 h TRP 159 Ca 0.12 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.08 2jc3 h TRP 159 Cb 0.03 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 28.38 2jc3 h TRP 159 CO -0.09 0.49 -0.27 -0.09 -1.03 0.00 0.00 178.44 177.44 2jc3 h ARG 160 N 0.94 0.35 -0.57 2.65 2.43 -0.88 -1.32 114.38 117.97 2jc3 h ARG 160 Ca 0.35 -0.25 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2jc3 h ARG 160 Cb 0.14 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 2jc3 h ARG 160 CO -0.16 0.87 0.38 1.96 -1.51 0.00 0.00 179.97 181.51 2jc3 h GLN 161 N -0.11 0.75 -0.43 0.20 4.20 -0.19 -0.82 115.11 118.71 2jc3 h GLN 161 Ca -0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2jc3 h GLN 161 Cb 0.89 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.50 2jc3 h GLN 161 CO 0.06 0.50 0.00 0.25 -0.67 0.00 0.00 178.83 178.97 2jc3 n THR 162 N -4.45 0.57 -2.56 -0.54 -2.24 -0.42 -4.92 114.28 99.72 2jc3 n THR 162 Ca 0.06 -0.60 -0.13 0.00 -2.27 0.00 0.00 64.05 61.10 2jc3 n THR 162 Cb 0.05 0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.84 -3.87 0.00 3.42 7.64 -0.32 -0.41 113.62 120.92 2jc3 n SER 163 Ca 0.16 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2jc3 n SER 163 Cb 0.40 -3.28 0.00 0.00 -1.01 0.00 0.00 64.21 60.32 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 -0.86 0.90 0.22 0.23 0.00 -0.52 -4.91 105.19 100.26 2jc3 n GLY 164 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 2.85 0.00 -6.32 1.61 3.08 -1.02 -3.46 114.38 111.11 2jc3 h ARG 165 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 2jc3 h ARG 165 Cb 0.00 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.14 2jc3 h ARG 165 CO 0.00 0.06 0.11 1.51 -1.07 0.00 0.00 179.97 180.58 2jc3 n ILE 166 N -3.13 1.36 0.00 2.04 3.06 -1.26 -4.65 119.36 116.79 2jc3 n ILE 166 Ca 0.03 -0.34 0.00 0.00 -2.50 0.00 0.00 62.75 59.94 2jc3 n ILE 166 Cb 0.51 -0.74 0.00 0.00 0.54 0.00 0.00 39.64 39.94 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 0.88 0.00 -3.85 9.51 -2.24 -0.34 -4.87 114.28 113.38 2jc3 n THR 167 Ca 0.14 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.80 2jc3 n THR 167 Cb 0.26 0.24 -0.14 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.72 -0.05 -0.13 4.78 3.76 -1.15 -1.33 115.29 119.45 2jc3 s HIS 168 Ca 0.00 0.14 0.02 0.00 -0.15 0.00 0.00 55.06 55.07 2jc3 s HIS 168 Cb 0.00 0.00 0.01 0.00 1.11 0.00 0.00 32.58 33.71 2jc3 s HIS 168 CO 0.00 -0.03 -0.20 0.12 -0.85 0.00 0.00 174.74 173.78 2jc3 s PHE 169 N 0.10 2.42 -0.12 1.40 5.36 -0.27 -1.27 117.98 125.59 2jc3 s PHE 169 Ca -0.01 -1.20 0.01 0.00 -0.96 0.00 0.00 56.93 54.77 2jc3 s PHE 169 Cb -0.01 -1.68 -0.01 0.00 -0.34 0.00 0.00 43.02 40.98 2jc3 s PHE 169 CO -0.00 -0.57 -0.16 0.08 -1.46 0.00 0.00 175.22 173.11 2jc3 s VAL 170 N 0.88 2.80 -0.10 3.12 1.01 0.10 -0.12 120.40 128.08 2jc3 s VAL 170 Ca -0.07 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 2jc3 s VAL 170 Cb -0.15 -2.15 0.05 0.00 0.00 0.00 0.00 36.38 34.12 2jc3 s VAL 170 CO -0.02 0.53 0.24 -0.55 0.00 0.00 0.00 175.10 175.31 2jc3 s SER 171 N 0.35 -0.23 0.04 3.32 0.15 -0.52 -2.68 113.70 114.12 2jc3 s SER 171 Ca -0.13 0.51 -0.30 0.00 0.70 0.00 0.00 55.95 56.73 2jc3 s SER 171 Cb -0.16 0.40 -0.05 0.00 -1.71 0.00 0.00 66.02 64.50 2jc3 s SER 171 CO 0.07 -0.17 1.18 -0.44 1.20 0.00 0.00 173.24 175.08 2jc3 s SER 172 N 1.30 7.10 -0.28 5.45 0.01 -1.26 -1.50 113.70 124.51 2jc3 s SER 172 Ca -0.09 1.96 -0.16 0.00 1.31 0.00 0.00 55.95 58.97 2jc3 s SER 172 Cb -0.11 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 2jc3 s SER 172 CO -0.08 -0.47 0.41 -0.04 0.41 0.00 0.00 173.24 173.46 2jc3 s MET 173 N 1.23 3.95 0.00 12.44 1.00 -0.65 -4.88 119.30 132.40 2jc3 s MET 173 Ca 0.58 0.03 0.00 0.00 0.00 0.00 0.00 55.69 56.30 2jc3 s MET 173 Cb -0.28 -3.68 0.00 0.00 0.00 0.00 0.00 34.83 30.87 2jc3 s MET 173 CO 0.28 -0.34 0.00 0.41 0.00 0.00 0.00 175.02 175.37 2jc3 n GLY 174 N 4.67 0.29 0.23 -0.03 0.00 -1.26 -3.90 105.19 105.20 2jc3 n GLY 174 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 0.05 0.00 2.61 1.35 -1.92 -3.45 112.91 111.54 2jc3 h THR 175 Ca 0.00 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 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 -0.35 6.82 -2.24 -1.26 -4.65 114.28 109.49 2jc3 n THR 176 Ca 0.03 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.83 2jc3 n THR 176 Cb 0.48 -0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.87 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 1.46 0.69 3.38 0.00 -1.91 -0.55 103.07 106.14 2jc3 h GLY 177 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 2jc3 h GLY 177 CO 0.00 0.32 -0.09 -0.84 0.00 0.00 0.00 176.54 175.93 2jc3 h THR 178 N 1.12 0.92 -0.45 4.70 2.02 -1.91 -1.00 112.91 118.30 2jc3 h THR 178 Ca 0.41 -0.62 -0.09 0.00 0.77 0.00 0.00 66.41 66.88 2jc3 h THR 178 Cb 0.16 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2jc3 h THR 178 CO -0.17 0.14 -0.10 -0.29 0.37 0.00 0.00 175.52 175.47 2jc3 h ILE 179 N -0.56 1.26 0.53 3.11 2.10 -1.89 -0.73 117.51 121.33 2jc3 h ILE 179 Ca -0.03 -1.17 -0.03 0.00 1.08 0.00 0.00 64.86 64.72 2jc3 h ILE 179 Cb 0.42 1.02 0.01 0.00 -1.09 0.00 0.00 36.82 37.18 2jc3 h ILE 179 CO 0.04 0.40 -0.26 0.74 -1.08 0.00 0.00 178.15 178.00 2jc3 h THR 180 N 0.73 0.46 -0.70 2.19 2.02 -1.09 0.22 112.91 116.74 2jc3 h THR 180 Ca 0.12 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 2jc3 h THR 180 Cb 0.59 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 2jc3 h THR 180 CO 0.04 0.02 0.20 1.23 0.37 0.00 0.00 175.52 177.38 2jc3 h GLY 181 N -0.79 1.17 1.15 2.16 0.00 -1.11 -1.31 103.07 104.35 2jc3 h GLY 181 Ca -0.07 -0.70 -0.15 0.00 0.00 0.00 0.00 47.33 46.40 2jc3 h GLY 181 CO 0.12 0.65 -0.34 -2.08 0.00 0.00 0.00 176.54 174.89 2jc3 h VAL 182 N 1.05 1.27 -0.23 4.60 2.07 -1.09 -2.50 116.25 121.41 2jc3 h VAL 182 Ca 0.23 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 2jc3 h VAL 182 Cb 0.32 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2jc3 h VAL 182 CO -0.00 0.51 0.13 -1.28 0.02 0.00 0.00 177.57 176.95 2jc3 h SER 183 N 0.77 0.29 -0.58 0.57 0.87 -0.75 0.51 113.55 115.23 2jc3 h SER 183 Ca 0.07 -0.07 0.12 0.00 -1.23 0.00 0.00 61.79 60.68 2jc3 h SER 183 Cb 0.93 -0.07 -0.10 0.00 -0.44 0.00 0.00 62.40 62.72 2jc3 h SER 183 CO 0.09 0.28 -0.01 0.03 -0.53 0.00 0.00 176.83 176.69 2jc3 h ARG 184 N 0.27 0.11 -0.46 2.24 3.08 -1.13 0.16 114.38 118.65 2jc3 h ARG 184 Ca 0.08 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 2jc3 h ARG 184 Cb 0.05 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2jc3 h ARG 184 CO -0.01 0.07 -0.21 0.35 -1.07 0.00 0.00 179.97 179.09 2jc3 h PHE 185 N 0.11 1.07 -0.38 3.04 3.04 -0.96 -3.18 116.94 119.69 2jc3 h PHE 185 Ca 0.30 -0.26 -0.13 0.00 3.98 0.00 0.00 57.97 61.86 2jc3 h PHE 185 Cb 0.47 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 2jc3 h PHE 185 CO -0.35 1.06 -0.29 -0.07 -2.02 0.00 0.00 178.31 176.63 2jc3 h LEU 186 N 0.81 0.83 -2.06 0.59 3.38 0.25 -2.92 115.31 116.19 2jc3 h LEU 186 Ca 0.11 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.82 2jc3 h LEU 186 Cb 0.78 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2jc3 h LEU 186 CO 0.06 1.07 0.21 0.03 0.09 0.00 0.00 178.44 179.90 2jc3 h ARG 187 N 0.68 0.00 0.00 1.13 2.47 -0.71 -0.03 114.38 117.92 2jc3 h ARG 187 Ca 0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 2jc3 h ARG 187 Cb 0.83 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 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 -4.28 0.16 -3.05 0.04 1.02 -1.10 -4.76 120.64 108.68 2jc3 n GLU 188 Ca 0.03 0.15 -0.31 0.00 -0.02 0.00 0.00 57.16 57.02 2jc3 n GLU 188 Cb 0.36 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.24 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 -2.72 3.86 0.06 3.49 -1.52 -0.03 -4.99 119.66 117.81 2jc3 s GLN 189 Ca 0.13 0.50 -0.28 0.00 -1.95 0.00 0.00 55.36 53.76 2jc3 s GLN 189 Cb 0.11 -2.45 -0.17 0.00 -0.22 0.00 0.00 33.01 30.28 2jc3 s GLN 189 CO 0.28 0.09 1.58 1.49 -0.25 0.00 0.00 175.29 178.47 2jc3 h GLU 190 N 1.78 -0.46 -6.76 2.91 4.81 -1.87 -3.42 114.58 111.58 2jc3 h GLU 190 Ca -0.47 0.03 -0.53 0.00 -0.13 0.00 0.00 59.36 58.26 2jc3 h GLU 190 Cb 1.18 0.11 0.07 0.00 0.63 0.00 0.00 28.75 30.74 2jc3 h GLU 190 CO 0.65 -0.26 0.90 0.21 -0.73 0.00 0.00 179.01 179.78 2jc3 s LYS 191 N -5.78 4.14 0.52 1.92 2.20 -1.26 -4.98 119.74 116.51 2jc3 s LYS 191 Ca -0.15 2.54 -0.19 0.00 -0.36 0.00 0.00 55.97 57.81 2jc3 s LYS 191 Cb 0.04 -3.05 -0.07 0.00 -1.51 0.00 0.00 37.83 33.24 2jc3 s LYS 191 CO 0.62 -0.63 1.06 -2.14 -0.36 0.00 0.00 175.35 173.90 2jc3 s PRO 192 N -0.07 3.60 -0.06 4.03 0.02 -1.26 -4.96 135.00 136.29 2jc3 s PRO 192 Ca 0.65 1.37 -0.02 0.00 0.02 0.00 0.00 61.00 63.02 2jc3 s PRO 192 Cb -0.47 -2.06 0.04 0.00 0.02 0.00 0.00 34.50 32.02 2jc3 s PRO 192 CO 0.43 -0.60 0.12 0.08 -0.33 0.00 0.00 177.00 176.70 2jc3 s VAL 193 N -2.05 -0.12 0.14 3.83 1.01 -1.26 -4.84 120.40 117.10 2jc3 s VAL 193 Ca 0.67 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 2jc3 s VAL 193 Cb -0.18 -0.22 -0.07 0.00 0.00 0.00 0.00 36.38 35.92 2jc3 s VAL 193 CO 0.25 0.11 1.06 -0.89 0.00 0.00 0.00 175.10 175.63 2jc3 s THR 194 N 1.57 4.12 -0.21 3.92 2.01 -0.44 -4.94 115.64 121.67 2jc3 s THR 194 Ca -0.04 1.76 -0.04 0.00 0.31 0.00 0.00 61.69 63.68 2jc3 s THR 194 Cb -0.12 -4.13 -0.01 0.00 0.01 0.00 0.00 72.50 68.25 2jc3 s THR 194 CO -0.05 0.27 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.49 2jc3 s ILE 195 N 0.00 3.57 -0.18 1.82 -1.09 -1.26 -1.12 121.20 122.95 2jc3 s ILE 195 Ca 0.50 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 2jc3 s ILE 195 Cb -0.27 -2.62 0.01 0.00 -1.58 0.00 0.00 42.46 38.00 2jc3 s ILE 195 CO 0.32 0.42 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.59 2jc3 s VAL 196 N 1.34 2.32 0.21 2.92 1.01 0.83 -1.10 120.40 127.93 2jc3 s VAL 196 Ca 0.04 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.22 2jc3 s VAL 196 Cb -0.14 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2jc3 s VAL 196 CO -0.01 0.52 0.24 -0.83 0.00 0.00 0.00 175.10 175.02 2jc3 s GLY 197 N 1.25 1.49 0.04 4.51 0.00 0.02 -1.44 107.32 113.19 2jc3 s GLY 197 Ca 0.03 -1.25 0.04 0.00 0.00 0.00 0.00 44.72 43.54 2jc3 s GLY 197 CO -0.10 -1.27 -0.12 1.08 0.00 0.00 0.00 173.10 172.69 2jc3 s LEU 198 N -3.59 2.17 0.03 0.66 1.43 -0.56 -1.17 118.68 117.65 2jc3 s LEU 198 Ca 0.33 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 2jc3 s LEU 198 Cb -0.09 -0.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.63 2jc3 s LEU 198 CO 0.26 -0.01 0.06 0.00 0.23 0.00 0.00 176.35 176.89 2jc3 s GLN 199 N -1.13 0.50 0.52 1.70 -2.07 -0.47 -1.64 119.66 117.08 2jc3 s GLN 199 Ca -0.01 -0.68 -0.21 0.00 -1.82 0.00 0.00 55.36 52.65 2jc3 s GLN 199 Cb -0.08 0.19 -0.06 0.00 -1.09 0.00 0.00 33.01 31.98 2jc3 s GLN 199 CO 0.01 -0.11 1.22 -1.25 -1.32 0.00 0.00 175.29 173.83 2jc3 s PRO 200 N -2.15 3.36 0.78 9.60 0.04 -1.26 -1.07 135.00 144.29 2jc3 s PRO 200 Ca -0.09 1.88 -0.12 0.00 0.04 0.00 0.00 61.00 62.71 2jc3 s PRO 200 Cb -0.04 -2.20 0.06 0.00 0.04 0.00 0.00 34.50 32.36 2jc3 s PRO 200 CO -0.03 -0.91 1.13 -1.21 0.04 0.00 0.00 177.00 176.03 2jc3 s GLU 201 N -2.98 2.03 0.26 4.56 2.02 -0.49 -4.67 118.70 119.43 2jc3 s GLU 201 Ca 0.70 1.42 -0.30 0.00 0.02 0.00 0.00 54.97 56.81 2jc3 s GLU 201 Cb -0.31 -1.85 -0.11 0.00 0.10 0.00 0.00 34.13 31.95 2jc3 s GLU 201 CO 0.36 -1.85 1.60 -1.21 0.02 0.00 0.00 175.26 174.18 2jc3 s GLU 202 N -4.49 4.15 0.00 1.61 2.02 -1.26 -0.79 118.70 119.93 2jc3 s GLU 202 Ca 0.66 2.54 0.00 0.00 0.02 0.00 0.00 54.97 58.19 2jc3 s GLU 202 Cb -0.21 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 30.96 2jc3 s GLU 202 CO 0.52 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.57 2jc3 n GLY 203 N 2.66 3.15 3.74 -1.39 0.00 -1.26 -5.02 105.19 107.07 2jc3 n GLY 203 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.77 7.39 -0.29 1.61 0.01 0.03 -5.02 113.70 116.66 2jc3 s SER 204 Ca 0.00 1.99 -0.04 0.00 1.31 0.00 0.00 55.95 59.21 2jc3 s SER 204 Cb 0.00 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.66 2jc3 s SER 204 CO 0.00 -0.12 0.03 -0.55 0.41 0.00 0.00 173.24 173.01 2jc3 s SER 205 N -0.26 4.87 -0.33 2.44 0.15 -1.26 -4.69 113.70 114.62 2jc3 s SER 205 Ca 0.47 -0.96 0.01 0.00 0.70 0.00 0.00 55.95 56.18 2jc3 s SER 205 Cb -0.27 -1.78 0.10 0.00 -1.71 0.00 0.00 66.02 62.36 2jc3 s SER 205 CO 0.33 -0.21 0.08 -0.63 1.20 0.00 0.00 173.24 174.01 2jc3 s ILE 206 N 1.38 1.53 0.19 6.45 1.01 -1.26 -4.82 121.20 125.67 2jc3 s ILE 206 Ca -0.01 -1.87 -0.31 0.00 0.00 0.00 0.00 60.65 58.47 2jc3 s ILE 206 Cb -0.18 -2.14 -0.16 0.00 0.01 0.00 0.00 42.46 39.99 2jc3 s ILE 206 CO -0.00 -0.65 0.85 -2.65 0.00 0.00 0.00 174.94 172.49 2jc3 n PRO 207 N 4.53 0.56 0.00 2.79 -0.02 -1.26 -2.27 135.00 139.34 2jc3 n PRO 207 Ca 0.01 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2jc3 n PRO 207 Cb 0.42 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 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 1.77 3.00 3.32 -1.23 0.00 -1.26 -4.36 105.19 106.42 2jc3 n GLY 208 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.52 0.00 -3.47 -0.61 -5.35 -0.96 -4.50 119.36 103.95 2jc3 n ILE 209 Ca 0.00 -2.28 -0.11 0.00 -0.27 0.00 0.00 62.75 60.10 2jc3 n ILE 209 Cb 0.00 0.66 -0.02 0.00 -1.74 0.00 0.00 39.64 38.54 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 -3.60 1.18 -0.37 6.28 1.70 -1.25 -4.72 118.95 118.17 2jc3 s ARG 210 Ca 0.11 -0.46 -0.21 0.00 -0.47 0.00 0.00 55.73 54.71 2jc3 s ARG 210 Cb 0.01 0.53 0.01 0.00 -0.57 0.00 0.00 34.95 34.92 2jc3 s ARG 210 CO 0.08 -0.52 0.65 0.50 -1.08 0.00 0.00 175.30 174.92 2jc3 s ARG 211 N -3.58 3.61 0.19 3.89 3.52 -1.26 -4.57 118.95 120.75 2jc3 s ARG 211 Ca 0.03 -0.01 -0.28 0.00 -0.13 0.00 0.00 55.73 55.34 2jc3 s ARG 211 Cb -0.01 -3.84 -0.08 0.00 -1.56 0.00 0.00 34.95 29.46 2jc3 s ARG 211 CO -0.11 -0.79 0.87 -1.58 -0.81 0.00 0.00 175.30 172.88 2jc3 s TRP 212 N 2.75 3.93 0.14 5.12 0.52 -1.26 -4.99 118.94 125.16 2jc3 s TRP 212 Ca 0.24 1.78 -0.34 0.00 0.02 0.00 0.00 56.10 57.81 2jc3 s TRP 212 Cb -0.14 -2.90 -0.13 0.00 -1.15 0.00 0.00 33.47 29.15 2jc3 s TRP 212 CO 0.16 0.45 1.63 -2.30 0.02 0.00 0.00 176.95 176.90 2jc3 n PRO 213 N 1.71 2.22 -0.04 4.98 -0.02 -1.26 -4.78 135.00 137.81 2jc3 n PRO 213 Ca -0.03 0.80 0.01 0.00 -2.02 0.00 0.00 63.50 62.26 2jc3 n PRO 213 Cb 0.48 -2.59 0.02 0.00 -0.02 0.00 0.00 33.50 31.39 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 3.84 0.03 -1.56 3.55 0.00 -1.26 0.36 120.51 125.47 2jc3 n ALA 214 Ca 0.17 0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.79 2jc3 n ALA 214 Cb 0.30 -0.08 0.21 0.00 0.00 0.00 0.00 19.45 19.87 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 -4.12 1.61 -1.44 0.00 1.02 -1.26 -4.58 120.64 111.87 2jc3 n GLU 215 Ca 0.02 -3.26 -0.02 0.00 -0.02 0.00 0.00 57.16 53.88 2jc3 n GLU 215 Cb 0.06 -1.64 0.10 0.00 -0.02 0.00 0.00 31.44 29.94 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 -1.13 0.77 -1.33 -0.32 4.02 0.16 -5.08 117.16 114.26 2jc3 n TYR 216 Ca 0.20 -1.50 -0.35 0.00 -0.01 0.00 0.00 57.90 56.25 2jc3 n TYR 216 Cb 0.73 -0.24 0.11 0.00 -0.02 0.00 0.00 39.34 39.91 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 -0.56 0.51 -1.60 -0.72 2.81 -1.25 -4.62 117.12 111.69 2jc3 n MET 217 Ca 0.20 0.24 -0.36 0.00 -1.81 0.00 0.00 57.70 55.97 2jc3 n MET 217 Cb 0.88 -2.44 0.08 0.00 -0.71 0.00 0.00 33.22 31.03 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 -2.69 0.93 -0.33 0.03 -0.04 -1.26 -4.89 135.00 126.74 2jc3 n PRO 218 Ca 0.14 0.38 0.16 0.00 -0.04 0.00 0.00 63.50 64.14 2jc3 n PRO 218 Cb 0.50 -2.51 0.36 0.00 -0.04 0.00 0.00 33.50 31.80 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 0.24 1.78 2.00 0.55 0.00 -1.87 -1.42 103.07 104.35 2jc3 h GLY 219 Ca -0.50 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.56 2jc3 h GLY 219 CO 0.51 -0.23 0.00 0.16 0.00 0.00 0.00 176.54 176.98 2jc3 h ILE 220 N 0.54 0.00 -3.93 2.60 3.07 -1.72 -3.45 117.51 114.62 2jc3 h ILE 220 Ca 0.61 -0.38 -0.53 0.00 1.55 0.00 0.00 64.86 66.11 2jc3 h ILE 220 Cb 1.14 1.28 0.09 0.00 -0.27 0.00 0.00 36.82 39.06 2jc3 h ILE 220 CO -0.48 0.00 0.67 0.12 -1.05 0.00 0.00 178.15 177.41 2jc3 s PHE 221 N -3.57 2.78 -0.32 0.16 2.19 -0.54 -5.01 117.98 113.68 2jc3 s PHE 221 Ca 0.02 1.34 -0.02 0.00 0.33 0.00 0.00 56.93 58.59 2jc3 s PHE 221 Cb 0.09 -3.79 0.11 0.00 -1.31 0.00 0.00 43.02 38.13 2jc3 s PHE 221 CO 0.48 -2.34 0.15 1.21 1.83 0.00 0.00 175.22 176.55 2jc3 s ASN 222 N -0.50 3.50 0.47 6.13 3.84 -1.26 -4.99 114.94 122.12 2jc3 s ASN 222 Ca 0.54 -1.64 0.31 0.00 0.21 0.00 0.00 52.86 52.28 2jc3 s ASN 222 Cb -0.41 -0.49 1.40 0.00 -0.55 0.00 0.00 41.25 41.20 2jc3 s ASN 222 CO 0.54 -0.40 1.71 0.00 -2.79 0.00 0.00 177.10 176.17 2jc3 h ALA 223 N 7.93 2.82 0.00 1.71 0.00 -1.95 0.47 119.26 130.24 2jc3 h ALA 223 Ca -0.12 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jc3 h ALA 223 Cb 1.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2jc3 h ALA 223 CO 0.41 -1.30 0.00 -1.13 0.00 0.00 0.00 179.25 177.23 2jc3 n SER 224 N -4.45 0.25 0.15 0.00 3.41 -1.26 -2.48 113.62 109.24 2jc3 n SER 224 Ca 0.32 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.60 2jc3 n SER 224 Cb 1.29 -0.61 0.10 0.00 -0.26 0.00 0.00 64.21 64.72 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 -8.62 1.04 3.38 -1.32 -3.44 115.31 106.35 2jc3 h LEU 225 Ca 0.00 -0.01 -0.67 0.00 0.09 0.00 0.00 57.88 57.29 2jc3 h LEU 225 Cb 0.29 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.83 2jc3 h LEU 225 CO 0.00 0.01 -0.55 -0.69 0.09 0.00 0.00 178.44 177.30 2jc3 s VAL 226 N -3.28 4.75 0.15 1.22 1.01 -1.04 -4.76 120.40 118.46 2jc3 s VAL 226 Ca 0.04 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 2jc3 s VAL 226 Cb 0.08 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.98 2jc3 s VAL 226 CO 0.73 0.09 1.44 0.44 0.00 0.00 0.00 175.10 177.79 2jc3 h ASP 227 N 8.37 0.79 -4.67 3.32 3.32 -1.39 -3.47 116.42 122.69 2jc3 h ASP 227 Ca -0.33 -0.44 -0.15 0.00 0.02 0.00 0.00 57.03 56.13 2jc3 h ASP 227 Cb 1.15 -0.23 -0.22 0.00 0.22 0.00 0.00 39.33 40.26 2jc3 h ASP 227 CO 0.61 1.20 -0.45 -1.61 -1.72 0.00 0.00 179.24 177.27 2jc3 s GLU 228 N -4.00 0.45 -0.14 3.56 2.02 -0.88 -4.99 118.70 114.72 2jc3 s GLU 228 Ca -0.09 -0.19 0.01 0.00 0.02 0.00 0.00 54.97 54.72 2jc3 s GLU 228 Cb 0.10 0.19 0.02 0.00 0.10 0.00 0.00 34.13 34.55 2jc3 s GLU 228 CO 0.87 -0.10 -0.14 0.08 0.02 0.00 0.00 175.26 175.98 2jc3 s VAL 229 N -0.98 1.54 0.10 2.63 1.01 -1.26 -0.80 120.40 122.64 2jc3 s VAL 229 Ca -0.11 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.29 2jc3 s VAL 229 Cb -0.06 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2jc3 s VAL 229 CO 0.02 0.45 0.03 -0.76 0.00 0.00 0.00 175.10 174.84 2jc3 s LEU 230 N 1.38 3.56 -0.07 3.92 1.02 -0.32 -4.98 118.68 123.19 2jc3 s LEU 230 Ca 0.02 -0.15 -0.08 0.00 0.02 0.00 0.00 54.13 53.94 2jc3 s LEU 230 Cb -0.13 -2.26 -0.04 0.00 0.02 0.00 0.00 46.19 43.77 2jc3 s LEU 230 CO -0.09 0.16 0.22 -1.81 0.02 0.00 0.00 176.35 174.85 2jc3 s ASP 231 N -2.44 6.49 -0.08 2.29 1.11 -1.26 -1.36 116.67 121.42 2jc3 s ASP 231 Ca 0.27 0.58 0.03 0.00 0.18 0.00 0.00 52.55 53.61 2jc3 s ASP 231 Cb -0.11 -2.11 0.01 0.00 1.07 0.00 0.00 42.92 41.78 2jc3 s ASP 231 CO 0.20 0.36 -0.16 -0.63 1.18 0.00 0.00 175.17 176.12 2jc3 s ILE 232 N -1.09 1.47 0.30 0.77 -1.09 -0.24 -4.85 121.20 116.47 2jc3 s ILE 232 Ca 0.19 -0.67 -0.28 0.00 -2.23 0.00 0.00 60.65 57.67 2jc3 s ILE 232 Cb -0.13 -1.32 -0.09 0.00 -1.58 0.00 0.00 42.46 39.34 2jc3 s ILE 232 CO 0.08 0.43 0.97 -2.28 -1.23 0.00 0.00 174.94 172.91 2jc3 s HIS 233 N 0.64 3.75 0.19 3.97 5.65 -1.26 -1.39 115.29 126.83 2jc3 s HIS 233 Ca -0.14 1.81 -0.17 0.00 0.25 0.00 0.00 55.06 56.81 2jc3 s HIS 233 Cb -0.16 -2.99 0.16 0.00 -1.18 0.00 0.00 32.58 28.40 2jc3 s HIS 233 CO 0.04 0.15 1.63 0.37 -0.65 0.00 0.00 174.74 176.28 2jc3 h GLN 234 N 3.51 -0.06 -0.85 2.88 4.15 -1.90 -1.67 115.11 121.16 2jc3 h GLN 234 Ca -0.46 0.00 0.02 0.00 0.77 0.00 0.00 58.65 58.98 2jc3 h GLN 234 Cb 1.20 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.85 2jc3 h GLN 234 CO 0.66 -0.04 0.56 -0.97 -1.93 0.00 0.00 178.83 177.10 2jc3 h ASN 235 N -0.06 0.94 0.02 -0.69 -0.73 -1.93 0.12 115.58 113.25 2jc3 h ASN 235 Ca 0.24 -0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.33 2jc3 h ASN 235 Cb 0.44 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 2jc3 h ASN 235 CO -0.56 0.66 -0.21 -0.78 -0.37 0.00 0.00 177.43 176.17 2jc3 h ASP 236 N 1.10 0.32 -0.09 1.15 3.58 -1.73 -0.11 116.42 120.65 2jc3 h ASP 236 Ca 0.33 -0.09 -0.10 0.00 0.42 0.00 0.00 57.03 57.59 2jc3 h ASP 236 Cb -0.05 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2jc3 h ASP 236 CO -0.10 0.55 -0.33 0.00 -2.88 0.00 0.00 179.24 176.48 2jc3 h ALA 237 N 1.48 0.16 -0.64 -0.78 0.00 -0.56 -2.05 119.26 116.88 2jc3 h ALA 237 Ca 0.05 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2jc3 h ALA 237 Cb 0.54 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2jc3 h ALA 237 CO 0.04 0.22 0.17 0.93 0.00 0.00 0.00 179.25 180.61 2jc3 h GLU 238 N -0.07 1.00 -0.26 0.00 5.08 -0.81 -1.23 114.58 118.28 2jc3 h GLU 238 Ca -0.02 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 2jc3 h GLU 238 Cb 0.97 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2jc3 h GLU 238 CO 0.07 0.88 0.06 -0.91 -1.00 0.00 0.00 179.01 178.11 2jc3 h ASN 239 N 0.96 0.39 0.24 1.42 2.35 -0.99 -1.27 115.58 118.68 2jc3 h ASN 239 Ca 0.21 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 2jc3 h ASN 239 Cb 0.32 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 2jc3 h ASN 239 CO -0.00 0.52 -0.32 0.74 -1.65 0.00 0.00 177.43 176.72 2jc3 h THR 240 N 0.25 1.26 0.45 2.81 2.02 -1.30 -0.83 112.91 117.56 2jc3 h THR 240 Ca 0.08 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.02 2jc3 h THR 240 Cb 0.28 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2jc3 h THR 240 CO 0.00 0.36 -0.21 -0.03 0.37 0.00 0.00 175.52 176.01 2jc3 h MET 241 N 0.12 -0.58 -0.11 6.66 1.85 -0.90 -0.66 114.93 121.30 2jc3 h MET 241 Ca 0.02 0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.12 2jc3 h MET 241 Cb 0.63 0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.78 2jc3 h MET 241 CO 0.05 -0.33 -0.04 0.00 -0.40 0.00 0.00 176.91 176.18 2jc3 h ARG 242 N -0.70 0.16 0.00 0.39 3.08 -1.03 -1.95 114.38 114.34 2jc3 h ARG 242 Ca -0.06 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2jc3 h ARG 242 Cb 0.51 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2jc3 h ARG 242 CO 0.10 0.22 -0.01 1.49 -1.07 0.00 0.00 179.97 180.70 2jc3 h GLU 243 N 0.16 0.00 -0.07 0.04 4.81 -0.98 -2.76 114.58 115.79 2jc3 h GLU 243 Ca 0.04 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.03 2jc3 h GLU 243 Cb 0.19 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.58 2jc3 h GLU 243 CO 0.01 0.00 -0.90 -0.07 -0.73 0.00 0.00 179.01 177.32 2jc3 h LEU 244 N 0.00 0.81 -0.11 1.64 3.38 -0.32 -1.41 115.31 119.31 2jc3 h LEU 244 Ca 0.00 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 2jc3 h LEU 244 Cb 0.95 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2jc3 h LEU 244 CO 0.00 1.39 -0.01 0.00 0.09 0.00 0.00 178.44 179.90 2jc3 h ALA 245 N 0.58 0.15 -0.22 1.53 0.00 -1.24 -0.82 119.26 119.23 2jc3 h ALA 245 Ca -0.08 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 2jc3 h ALA 245 Cb 1.53 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2jc3 h ALA 245 CO 0.17 -0.14 -0.47 0.28 0.00 0.00 0.00 179.25 179.09 2jc3 h VAL 246 N -0.10 1.31 0.00 0.00 2.07 -1.55 -1.68 116.25 116.30 2jc3 h VAL 246 Ca 0.03 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.87 2jc3 h VAL 246 Cb 0.40 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2jc3 h VAL 246 CO 0.01 0.53 -0.65 0.54 0.02 0.00 0.00 177.57 178.01 2jc3 n ARG 247 N -4.00 2.54 0.00 1.57 1.74 -0.53 -4.61 116.66 113.37 2jc3 n ARG 247 Ca -0.02 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2jc3 n ARG 247 Cb 0.56 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 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 -1.20 5.56 -0.58 -0.57 -4.62 120.64 121.30 2jc3 n GLU 248 Ca 0.02 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.70 2jc3 n GLU 248 Cb 0.21 -0.28 -0.03 0.00 -0.57 0.00 0.00 31.44 30.77 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 0.55 0.90 3.43 0.62 0.00 -0.42 -4.97 105.19 105.29 2jc3 n GLY 249 Ca 0.00 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.21 5.15 -0.49 -0.61 1.01 -0.60 -4.90 121.20 118.55 2jc3 s ILE 250 Ca 0.00 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 59.68 2jc3 s ILE 250 Cb 0.00 -3.93 0.08 0.00 0.01 0.00 0.00 42.46 38.62 2jc3 s ILE 250 CO 0.00 -0.38 0.47 0.12 0.00 0.00 0.00 174.94 175.16 2jc3 s PHE 251 N 1.65 3.19 0.13 3.97 5.99 -1.26 -2.04 117.98 129.60 2jc3 s PHE 251 Ca 0.04 -0.87 0.02 0.00 0.00 0.00 0.00 56.93 56.12 2jc3 s PHE 251 Cb -0.20 -3.36 -0.01 0.00 0.00 0.00 0.00 43.02 39.45 2jc3 s PHE 251 CO 0.09 -0.90 0.06 0.00 -0.00 0.00 0.00 175.22 174.47 2jc3 s GLY 253 N -1.85 1.76 0.19 0.00 0.00 -1.17 -3.65 107.32 102.61 2jc3 s GLY 253 Ca 0.09 -1.40 -0.11 0.00 0.00 0.00 0.00 44.72 43.30 2jc3 s GLY 253 CO 0.06 -0.91 1.78 -2.08 0.00 0.00 0.00 173.10 171.96 2jc3 h VAL 254 N -0.53 0.93 0.00 1.40 2.07 -1.89 -1.29 116.25 116.94 2jc3 h VAL 254 Ca -0.40 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2jc3 h VAL 254 Cb 1.28 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2jc3 h VAL 254 CO 0.47 0.10 -0.15 0.77 0.02 0.00 0.00 177.57 178.78 2jc3 h SER 255 N 0.54 0.00 0.17 0.57 4.64 -1.90 0.17 113.55 117.73 2jc3 h SER 255 Ca 0.26 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.37 2jc3 h SER 255 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2jc3 h SER 255 CO -0.19 0.15 -0.83 0.28 -0.87 0.00 0.00 176.83 175.37 2jc3 h SER 256 N 0.00 0.64 -0.63 4.97 0.02 -1.58 0.47 113.55 117.43 2jc3 h SER 256 Ca -0.00 -0.46 -0.06 0.00 -0.84 0.00 0.00 61.79 60.43 2jc3 h SER 256 Cb 0.38 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 2jc3 h SER 256 CO 0.02 1.23 0.16 1.23 -1.14 0.00 0.00 176.83 178.33 2jc3 h GLY 257 N 1.03 1.09 0.92 -3.77 0.00 -0.09 -0.92 103.07 101.32 2jc3 h GLY 257 Ca -0.06 -0.67 0.02 0.00 0.00 0.00 0.00 47.33 46.62 2jc3 h GLY 257 CO 0.15 0.63 0.54 -1.33 0.00 0.00 0.00 176.54 176.53 2jc3 h GLY 258 N 0.93 1.20 1.00 4.60 0.00 -0.51 0.32 103.07 110.62 2jc3 h GLY 258 Ca 0.20 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2jc3 h GLY 258 CO 0.00 0.38 0.25 0.00 0.00 0.00 0.00 176.54 177.17 2jc3 h ALA 259 N 1.34 0.48 -0.25 3.60 0.00 -0.43 0.16 119.26 124.16 2jc3 h ALA 259 Ca 0.33 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 2jc3 h ALA 259 Cb -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2jc3 h ALA 259 CO -0.10 -0.06 -0.48 0.28 0.00 0.00 0.00 179.25 178.89 2jc3 h VAL 260 N 0.52 1.30 -0.45 0.00 2.07 -0.72 0.01 116.25 118.98 2jc3 h VAL 260 Ca 0.14 -1.68 0.06 0.00 0.82 0.00 0.00 66.70 66.03 2jc3 h VAL 260 Cb -0.06 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 2jc3 h VAL 260 CO -0.03 0.54 0.16 0.00 0.02 0.00 0.00 177.57 178.25 2jc3 h ALA 261 N 0.94 0.54 -0.70 1.67 0.00 0.15 0.20 119.26 122.06 2jc3 h ALA 261 Ca 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jc3 h ALA 261 Cb 1.03 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2jc3 h ALA 261 CO 0.10 -0.23 0.41 0.78 0.00 0.00 0.00 179.25 180.30 2jc3 h GLY 262 N 0.33 1.02 1.69 0.00 0.00 -0.36 -2.08 103.07 103.67 2jc3 h GLY 262 Ca 0.21 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 2jc3 h GLY 262 CO -0.22 0.42 0.00 0.00 0.00 0.00 0.00 176.54 176.74 2jc3 h ALA 263 N 1.21 1.52 -0.31 3.60 0.00 -0.11 -1.73 119.26 123.44 2jc3 h ALA 263 Ca 0.25 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2jc3 h ALA 263 Cb -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2jc3 h ALA 263 CO -0.04 0.35 0.08 -0.07 0.00 0.00 0.00 179.25 179.56 2jc3 h LEU 264 N 0.38 0.47 -0.19 0.00 3.38 0.02 0.19 115.31 119.56 2jc3 h LEU 264 Ca 0.09 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.87 2jc3 h LEU 264 Cb 0.25 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2jc3 h LEU 264 CO 0.01 0.57 -0.05 0.03 0.09 0.00 0.00 178.44 179.09 2jc3 h ARG 265 N 0.34 -0.00 -0.11 1.13 3.08 -0.97 0.19 114.38 118.04 2jc3 h ARG 265 Ca 0.10 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.17 2jc3 h ARG 265 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2jc3 h ARG 265 CO 0.00 -0.00 -0.03 0.28 -1.07 0.00 0.00 179.97 179.15 2jc3 h VAL 266 N -0.01 0.89 -0.76 2.04 2.07 -1.10 -0.88 116.25 118.50 2jc3 h VAL 266 Ca 0.09 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.63 2jc3 h VAL 266 Cb 0.14 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 2jc3 h VAL 266 CO -0.20 0.00 0.50 0.00 0.02 0.00 0.00 177.57 177.89 2jc3 h ALA 267 N 1.10 0.98 -0.57 1.67 0.00 -0.03 -1.66 119.26 120.75 2jc3 h ALA 267 Ca 0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2jc3 h ALA 267 Cb 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2jc3 h ALA 267 CO -0.11 0.34 0.07 0.00 0.00 0.00 0.00 179.25 179.55 2jc3 h ARG 268 N 0.99 0.95 0.00 0.00 3.08 -0.36 -2.83 114.38 116.21 2jc3 h ARG 268 Ca 0.29 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2jc3 h ARG 268 Cb -0.06 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.89 2jc3 h ARG 268 CO -0.08 0.92 0.00 0.00 -1.07 0.00 0.00 179.97 179.74 2jc3 n ALA 269 N -2.44 2.30 -3.45 0.04 0.00 -0.36 -4.51 120.51 112.09 2jc3 n ALA 269 Ca 0.02 -0.12 -0.28 0.00 0.00 0.00 0.00 53.44 53.07 2jc3 n ALA 269 Cb 0.28 -1.43 -0.12 0.00 0.00 0.00 0.00 19.45 18.18 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 -2.72 0.10 0.31 0.00 2.01 -0.65 -5.08 115.64 109.61 2jc3 s THR 270 Ca 0.21 -1.64 -0.28 0.00 0.31 0.00 0.00 61.69 60.29 2jc3 s THR 270 Cb 0.18 -1.08 -0.13 0.00 0.01 0.00 0.00 72.50 71.48 2jc3 s THR 270 CO 0.44 -0.96 1.17 -2.65 -0.69 0.00 0.00 174.62 171.93 2jc3 n PRO 271 N 4.08 1.77 -0.78 4.92 -0.02 -1.26 -1.71 135.00 141.99 2jc3 n PRO 271 Ca 0.12 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2jc3 n PRO 271 Cb 0.38 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 1.05 1.31 3.76 -1.23 0.00 -1.03 -4.83 105.19 104.22 2jc3 n GLY 272 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.65 2.96 -0.67 4.61 0.00 -0.70 -4.66 121.76 119.65 2jc3 s ALA 273 Ca 0.00 1.19 -0.02 0.00 0.00 0.00 0.00 51.96 53.13 2jc3 s ALA 273 Cb 0.00 -3.50 0.17 0.00 0.00 0.00 0.00 23.12 19.80 2jc3 s ALA 273 CO 0.00 -1.05 0.49 0.42 0.00 0.00 0.00 175.76 175.63 2jc3 s ILE 274 N -1.37 3.74 0.08 0.00 -1.09 -1.26 -0.72 121.20 120.58 2jc3 s ILE 274 Ca 0.66 -3.20 -0.19 0.00 -2.23 0.00 0.00 60.65 55.70 2jc3 s ILE 274 Cb -0.36 -3.42 -0.07 0.00 -1.58 0.00 0.00 42.46 37.03 2jc3 s ILE 274 CO 0.44 -0.92 0.56 -0.69 -1.23 0.00 0.00 174.94 173.10 2jc3 s VAL 275 N -0.37 4.76 -0.10 2.92 1.01 -0.25 -1.19 120.40 127.18 2jc3 s VAL 275 Ca 0.19 1.17 0.03 0.00 0.00 0.00 0.00 61.98 63.37 2jc3 s VAL 275 Cb -0.18 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.34 2jc3 s VAL 275 CO -0.05 0.53 -0.17 -0.69 0.00 0.00 0.00 175.10 174.71 2jc3 s VAL 276 N -1.14 1.58 0.10 2.92 1.01 -0.40 -0.27 120.40 124.19 2jc3 s VAL 276 Ca 0.30 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.65 2jc3 s VAL 276 Cb -0.19 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 2jc3 s VAL 276 CO 0.19 0.46 -0.23 0.00 0.00 0.00 0.00 175.10 175.52 2jc3 s ALA 277 N 0.72 1.97 -0.09 5.51 0.00 -0.21 -0.72 121.76 128.94 2jc3 s ALA 277 Ca -0.12 -1.28 -0.20 0.00 0.00 0.00 0.00 51.96 50.36 2jc3 s ALA 277 Cb -0.16 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2jc3 s ALA 277 CO 0.03 0.42 0.57 0.42 0.00 0.00 0.00 175.76 177.19 2jc3 s ILE 278 N -1.06 5.11 -0.37 0.00 -1.09 -1.09 -1.17 121.20 121.52 2jc3 s ILE 278 Ca 0.09 1.15 -0.09 0.00 -2.23 0.00 0.00 60.65 59.57 2jc3 s ILE 278 Cb -0.10 -3.90 0.04 0.00 -1.58 0.00 0.00 42.46 36.92 2jc3 s ILE 278 CO 0.04 0.31 0.18 -0.63 -1.23 0.00 0.00 174.94 173.62 2jc3 s ILE 279 N 0.57 4.27 0.23 2.92 -1.09 0.13 -4.76 121.20 123.47 2jc3 s ILE 279 Ca 0.30 -1.03 -0.01 0.00 -2.23 0.00 0.00 60.65 57.68 2jc3 s ILE 279 Cb -0.16 -3.43 0.01 0.00 -1.58 0.00 0.00 42.46 37.30 2jc3 s ILE 279 CO 0.14 -0.26 1.62 0.00 -1.23 0.00 0.00 174.94 175.20 2jc3 s ASP 281 N -6.84 0.07 0.42 0.00 3.84 -1.26 -0.68 116.67 112.22 2jc3 s ASP 281 Ca -0.07 -1.21 -0.02 0.00 -0.00 0.00 0.00 52.55 51.24 2jc3 s ASP 281 Cb 0.13 0.86 -0.03 0.00 -1.38 0.00 0.00 42.92 42.49 2jc3 s ASP 281 CO 0.82 -1.71 0.67 -0.13 -0.00 0.00 0.00 175.17 174.81 2jc3 s ARG 282 N -2.18 3.47 0.00 2.11 0.52 -1.21 -3.05 118.95 118.61 2jc3 s ARG 282 Ca 0.16 -0.11 0.25 0.00 -0.52 0.00 0.00 55.73 55.52 2jc3 s ARG 282 Cb -0.05 -2.52 1.15 0.00 0.52 0.00 0.00 34.95 34.05 2jc3 s ARG 282 CO 0.12 -0.05 1.82 0.41 0.02 0.00 0.00 175.30 177.63 2jc3 n GLY 283 N -2.03 -1.28 0.24 -3.53 0.00 -0.72 -4.07 105.19 93.80 2jc3 n GLY 283 Ca -0.02 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -0.26 0.21 1.61 3.32 -1.89 -0.34 116.42 119.08 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 0.36 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2jc3 h ASP 284 CO 0.00 -0.11 0.00 0.54 -1.72 0.00 0.00 179.24 177.95 2jc3 n ARG 285 N -5.27 0.54 0.02 3.56 1.74 -1.26 -2.48 116.66 113.51 2jc3 n ARG 285 Ca 0.09 0.03 0.11 0.00 -0.77 0.00 0.00 57.85 57.32 2jc3 n ARG 285 Cb 0.36 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.14 0.26 -0.24 -1.55 4.01 -0.15 -4.53 117.16 113.83 2jc3 n TYR 286 Ca 0.15 0.08 0.03 0.00 -0.16 0.00 0.00 57.90 57.99 2jc3 n TYR 286 Cb 0.13 -0.49 0.16 0.00 -0.31 0.00 0.00 39.34 38.83 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 0.27 -0.55 7.72 3.38 -1.38 -0.97 115.31 123.77 2jc3 h LEU 287 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2jc3 h LEU 287 Cb 0.83 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.66 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 -4.99 0.42 -0.04 -0.43 3.41 -1.26 -2.44 113.62 108.29 2jc3 n SER 288 Ca 0.12 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.48 2jc3 n SER 288 Cb 0.36 -0.70 0.36 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.98 0.00 0.00 6.66 -2.24 -0.37 -4.98 114.28 111.37 2jc3 n THR 289 Ca 0.02 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2jc3 n THR 289 Cb 0.17 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 1.46 3.29 0.20 3.38 0.00 -1.02 -4.91 105.19 107.59 2jc3 n GLY 290 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.84 -3.26 116.25 111.26 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 0.34 0.00 0.00 -2.13 0.00 0.00 31.29 29.50 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 -2.22 0.00 0.01 5.19 3.01 -1.26 -4.90 117.46 117.29 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 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 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 3.50 -0.00 0.00 1.37 0.00 -1.23 -5.13 105.19 103.69 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