#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 -1.76 -4.85 6.12 0.23 -1.26 -4.97 115.26 108.78 2jc3 n ASN 2 Ca 0.00 0.13 -0.23 0.00 -0.53 0.00 0.00 54.58 53.95 2jc3 n ASN 2 Cb 0.00 -1.78 -0.03 0.00 -2.08 0.00 0.00 39.78 35.89 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 -1.30 2.28 0.60 5.53 -4.23 -1.26 -4.98 115.64 112.27 2jc3 s THR 3 Ca 0.00 -1.47 0.29 0.00 -1.18 0.00 0.00 61.69 59.32 2jc3 s THR 3 Cb 0.00 -2.75 0.37 0.00 1.34 0.00 0.00 72.50 71.45 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 1.05 0.00 -1.63 4.79 5.85 -1.99 -1.13 115.31 122.24 2jc3 h LEU 4 Ca -0.40 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.37 2jc3 h LEU 4 Cb 1.27 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 2jc3 h LEU 4 CO 0.61 0.00 0.32 -0.08 -0.34 0.00 0.00 178.44 178.95 2jc3 h GLU 5 N 0.00 0.45 0.00 1.25 4.81 -1.97 -0.89 114.58 118.23 2jc3 h GLU 5 Ca 0.15 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2jc3 h GLU 5 Cb 0.88 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.16 2jc3 h GLU 5 CO -0.00 0.30 0.00 1.04 -0.73 0.00 0.00 179.01 179.61 2jc3 n GLN 6 N -4.48 0.43 -0.04 1.92 3.00 -0.43 -2.52 117.38 115.26 2jc3 n GLN 6 Ca 0.06 0.05 0.12 0.00 -0.01 0.00 0.00 57.00 57.23 2jc3 n GLN 6 Cb 0.21 -1.50 0.31 0.00 0.00 0.00 0.00 30.24 29.26 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 -1.22 0.11 -2.96 5.09 -2.24 -0.34 -4.88 114.28 107.83 2jc3 n THR 7 Ca 0.13 -0.42 -0.40 0.00 -2.27 0.00 0.00 64.05 61.08 2jc3 n THR 7 Cb 0.16 0.89 -0.05 0.00 -2.10 0.00 0.00 70.33 69.23 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 -1.89 4.54 0.00 2.28 1.01 -1.05 -4.36 121.20 121.73 2jc3 s ILE 8 Ca 0.34 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.69 2jc3 s ILE 8 Cb 0.20 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.53 2jc3 s ILE 8 CO 0.31 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.29 2jc3 n GLY 9 N 2.00 -2.23 3.75 6.18 0.00 -1.26 -4.95 105.19 108.67 2jc3 n GLY 9 Ca -0.04 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.12 -4.38 -4.82 1.61 3.02 -1.26 -4.96 115.26 104.35 2jc3 n ASN 10 Ca 0.00 -0.70 -0.33 0.00 -0.03 0.00 0.00 54.58 53.52 2jc3 n ASN 10 Cb 0.00 -4.35 -0.02 0.00 -0.61 0.00 0.00 39.78 34.79 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 -3.38 4.23 0.65 3.41 -4.23 -1.26 -5.01 115.64 110.05 2jc3 s THR 11 Ca 0.47 1.12 -0.16 0.00 -1.18 0.00 0.00 61.69 61.94 2jc3 s THR 11 Cb -0.22 -3.58 -0.00 0.00 1.34 0.00 0.00 72.50 70.03 2jc3 s THR 11 CO 0.79 -0.56 1.15 -2.16 -0.54 0.00 0.00 174.62 173.30 2jc3 s PRO 12 N -3.91 2.73 -0.18 3.99 0.04 -1.26 -4.76 135.00 131.65 2jc3 s PRO 12 Ca 0.61 1.56 0.01 0.00 0.04 0.00 0.00 61.00 63.22 2jc3 s PRO 12 Cb -0.12 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.53 2jc3 s PRO 12 CO 0.30 -1.33 -0.12 -1.17 0.04 0.00 0.00 177.00 174.72 2jc3 s LEU 13 N -4.70 2.11 0.13 -3.56 2.96 -1.26 -0.93 118.68 113.43 2jc3 s LEU 13 Ca 0.71 -0.76 0.08 0.00 -0.22 0.00 0.00 54.13 53.93 2jc3 s LEU 13 Cb -0.24 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 2jc3 s LEU 13 CO 0.39 -0.11 -0.18 0.68 -1.32 0.00 0.00 176.35 175.81 2jc3 s VAL 14 N 1.41 1.62 -0.08 1.68 -7.23 -0.62 -4.91 120.40 112.27 2jc3 s VAL 14 Ca 0.01 -1.70 -0.18 0.00 -1.81 0.00 0.00 61.98 58.30 2jc3 s VAL 14 Cb -0.15 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 2jc3 s VAL 14 CO -0.09 -0.24 0.50 -0.75 -0.31 0.00 0.00 175.10 174.20 2jc3 s LYS 15 N -2.38 4.29 0.28 4.82 2.20 -1.26 -0.11 119.74 127.57 2jc3 s LYS 15 Ca 0.10 0.51 -0.29 0.00 -0.36 0.00 0.00 55.97 55.92 2jc3 s LYS 15 Cb -0.07 -3.39 -0.10 0.00 -1.51 0.00 0.00 37.83 32.75 2jc3 s LYS 15 CO 0.05 0.26 1.36 -0.51 -0.36 0.00 0.00 175.35 176.15 2jc3 s LEU 16 N 0.26 4.41 -0.04 5.43 1.43 -0.24 -4.93 118.68 125.00 2jc3 s LEU 16 Ca 0.27 2.64 0.19 0.00 -1.03 0.00 0.00 54.13 56.20 2jc3 s LEU 16 Cb -0.16 -3.63 -0.22 0.00 0.03 0.00 0.00 46.19 42.21 2jc3 s LEU 16 CO 0.12 -0.60 0.52 0.00 0.23 0.00 0.00 176.35 176.62 2jc3 n GLN 17 N 1.66 0.65 0.00 1.70 6.02 -1.26 -4.79 117.38 121.36 2jc3 n GLN 17 Ca 0.03 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2jc3 n GLN 17 Cb 0.41 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.02 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 -2.68 0.35 -1.77 -1.09 1.74 -1.26 -5.06 116.66 106.89 2jc3 n ARG 18 Ca -0.15 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.62 2jc3 n ARG 18 Cb 0.86 -0.81 0.03 0.00 -1.02 0.00 0.00 32.46 31.51 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 -1.62 4.39 0.00 0.55 -4.36 -1.26 -4.94 121.20 113.96 2jc3 s ILE 19 Ca 0.00 0.80 0.00 0.00 -0.26 0.00 0.00 60.65 61.19 2jc3 s ILE 19 Cb 0.00 -3.65 0.00 0.00 1.25 0.00 0.00 42.46 40.06 2jc3 s ILE 19 CO 0.00 -0.99 0.00 0.61 0.24 0.00 0.00 174.94 174.80 2jc3 n GLY 20 N -2.32 2.52 3.75 6.27 0.00 -1.26 -4.96 105.19 109.19 2jc3 n GLY 20 Ca 0.07 -1.75 -0.35 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 -3.96 2.74 -1.10 1.61 0.04 -1.26 -4.94 135.00 128.13 2jc3 s PRO 21 Ca 0.00 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 2jc3 s PRO 21 Cb 0.00 -1.92 0.27 0.00 0.04 0.00 0.00 34.50 32.89 2jc3 s PRO 21 CO 0.00 -1.35 1.98 -3.47 0.04 0.00 0.00 177.00 174.20 2jc3 n ASP 22 N -2.06 7.55 -0.87 6.66 2.03 -1.26 -4.57 116.55 124.03 2jc3 n ASP 22 Ca 0.13 -3.54 0.02 0.00 0.52 0.00 0.00 54.79 51.91 2jc3 n ASP 22 Cb 0.50 -1.22 0.17 0.00 -0.72 0.00 0.00 41.12 39.85 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 0.41 2.11 0.00 1.67 2.04 -1.26 -4.94 115.26 115.29 2jc3 n ASN 23 Ca 0.51 -3.75 0.00 0.00 -0.44 0.00 0.00 54.58 50.90 2jc3 n ASN 23 Cb 0.26 -0.49 0.00 0.00 -2.53 0.00 0.00 39.78 37.02 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 -0.96 2.30 3.78 4.83 0.00 -1.26 -2.21 105.19 111.67 2jc3 n GLY 24 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 2jc3 n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jc3 s SER 25 N -2.80 5.66 -0.01 1.61 0.01 -1.26 -3.83 113.70 113.08 2jc3 s SER 25 Ca 0.00 1.99 0.05 0.00 1.31 0.00 0.00 55.95 59.29 2jc3 s SER 25 Cb 0.00 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 2jc3 s SER 25 CO 0.00 -1.25 -0.14 -1.61 0.41 0.00 0.00 173.24 170.64 2jc3 s GLU 26 N -3.72 1.16 -0.20 12.44 2.02 -0.11 -4.91 118.70 125.39 2jc3 s GLU 26 Ca 0.68 -0.54 0.01 0.00 0.02 0.00 0.00 54.97 55.14 2jc3 s GLU 26 Cb -0.20 -1.13 0.03 0.00 0.10 0.00 0.00 34.13 32.94 2jc3 s GLU 26 CO 0.33 0.31 -0.15 0.42 0.02 0.00 0.00 175.26 176.18 2jc3 s ILE 27 N -0.37 1.90 -0.03 -1.63 1.01 -1.26 -0.73 121.20 120.10 2jc3 s ILE 27 Ca 0.05 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.68 2jc3 s ILE 27 Cb -0.06 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 2jc3 s ILE 27 CO -0.00 0.33 -0.04 0.26 0.00 0.00 0.00 174.94 175.48 2jc3 s TRP 28 N 1.31 2.98 -0.08 3.97 0.52 0.83 -1.08 118.94 127.39 2jc3 s TRP 28 Ca 0.01 0.04 0.05 0.00 0.02 0.00 0.00 56.10 56.21 2jc3 s TRP 28 Cb -0.15 -1.67 -0.00 0.00 -1.15 0.00 0.00 33.47 30.49 2jc3 s TRP 28 CO -0.10 0.40 -0.24 0.14 0.02 0.00 0.00 176.95 177.17 2jc3 s VAL 29 N -0.97 2.06 -0.39 4.03 -7.23 0.84 -0.93 120.40 117.81 2jc3 s VAL 29 Ca 0.16 -1.04 -0.21 0.00 -1.81 0.00 0.00 61.98 59.08 2jc3 s VAL 29 Cb -0.11 -1.76 0.01 0.00 0.56 0.00 0.00 36.38 35.08 2jc3 s VAL 29 CO 0.06 0.56 0.68 -0.75 -0.31 0.00 0.00 175.10 175.35 2jc3 s LYS 30 N 0.15 3.56 -1.27 4.82 2.47 -0.12 -1.59 119.74 127.75 2jc3 s LYS 30 Ca -0.13 -0.03 -0.16 0.00 -1.56 0.00 0.00 55.97 54.09 2jc3 s LYS 30 Cb -0.16 -3.86 0.11 0.00 -1.46 0.00 0.00 37.83 32.46 2jc3 s LYS 30 CO 0.07 -0.87 1.66 1.28 0.16 0.00 0.00 175.35 177.64 2jc3 n LEU 31 N 6.26 5.24 0.18 5.43 4.77 -0.11 -0.77 117.00 138.00 2jc3 n LEU 31 Ca -0.00 -4.18 0.13 0.00 -0.03 0.00 0.00 56.01 51.93 2jc3 n LEU 31 Cb 0.48 -1.68 0.59 0.00 -2.33 0.00 0.00 43.42 40.48 2jc3 n LEU 31 CO 0.52 0.49 0.90 -0.33 -1.33 0.00 0.00 177.39 177.64 2jc3 h GLU 32 N 7.22 0.00 0.00 3.23 4.39 -1.38 -2.04 114.58 125.99 2jc3 h GLU 32 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 2jc3 h GLU 32 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2jc3 h GLU 32 CO 1.41 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 179.67 2jc3 n GLY 33 N -0.28 -0.90 0.10 -3.84 0.00 -1.25 -1.80 105.19 97.22 2jc3 n GLY 33 Ca 0.01 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.51 0.64 -4.69 1.61 4.13 -0.77 -4.11 115.26 110.56 2jc3 n ASN 34 Ca 0.03 0.59 -0.38 0.00 1.68 0.00 0.00 54.58 56.50 2jc3 n ASN 34 Cb 0.14 -0.75 0.06 0.00 -1.54 0.00 0.00 39.78 37.68 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 -2.13 1.72 -0.33 6.41 4.13 -0.74 -4.85 115.26 119.47 2jc3 n ASN 35 Ca 0.05 0.86 0.24 0.00 1.68 0.00 0.00 54.58 57.41 2jc3 n ASN 35 Cb 0.34 -1.49 0.47 0.00 -1.54 0.00 0.00 39.78 37.56 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 0.76 0.16 -0.66 3.52 0.13 -1.88 0.16 132.00 134.19 2jc3 h PRO 36 Ca -0.50 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.50 2jc3 h PRO 36 Cb 1.34 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.36 2jc3 h PRO 36 CO 0.53 0.11 0.15 0.00 -0.23 0.00 0.00 178.00 178.56 2jc3 n ALA 37 N -2.43 4.28 -1.02 -0.56 0.00 -1.26 -4.97 120.51 114.54 2jc3 n ALA 37 Ca 0.31 -2.18 -0.01 0.00 0.00 0.00 0.00 53.44 51.56 2jc3 n ALA 37 Cb 1.02 -1.19 -0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 0.16 0.41 3.40 0.00 0.00 0.55 -4.87 105.19 104.83 2jc3 n GLY 38 Ca 0.35 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.12 -0.13 0.59 1.61 1.04 -1.24 -3.27 113.70 110.17 2jc3 s SER 39 Ca 0.00 -0.58 0.29 0.00 0.48 0.00 0.00 55.95 56.14 2jc3 s SER 39 Cb 0.00 0.49 1.79 0.00 0.10 0.00 0.00 66.02 68.40 2jc3 s SER 39 CO 0.00 -0.93 2.24 1.62 0.98 0.00 0.00 173.24 177.14 2jc3 h VAL 40 N 2.39 0.54 0.00 5.02 3.04 -1.06 -2.17 116.25 123.99 2jc3 h VAL 40 Ca -0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 2jc3 h VAL 40 Cb 1.24 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 2jc3 h VAL 40 CO 0.44 0.00 0.00 0.11 -1.01 0.00 0.00 177.57 177.11 2jc3 h LYS 41 N 0.00 0.00 -0.13 4.17 1.79 -1.89 -2.38 116.57 118.13 2jc3 h LYS 41 Ca 0.01 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2jc3 h LYS 41 Cb 0.05 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 2jc3 h LYS 41 CO -0.00 0.00 0.09 -0.44 -1.08 0.00 0.00 179.45 178.02 2jc3 h ASP 42 N 0.00 0.11 0.25 0.86 5.19 -1.72 -1.34 116.42 119.76 2jc3 h ASP 42 Ca 0.00 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2jc3 h ASP 42 Cb 0.02 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.50 2jc3 h ASP 42 CO 0.00 0.08 -0.12 0.03 -3.12 0.00 0.00 179.24 176.11 2jc3 h ARG 43 N 0.13 -0.32 -0.20 3.56 3.08 -1.67 -1.62 114.38 117.33 2jc3 h ARG 43 Ca 0.05 0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 2jc3 h ARG 43 Cb 0.06 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2jc3 h ARG 43 CO -0.01 -0.00 -0.23 0.00 -1.07 0.00 0.00 179.97 178.65 2jc3 h ALA 44 N -0.02 1.22 -0.35 0.04 0.00 -1.70 -0.63 119.26 117.83 2jc3 h ALA 44 Ca -0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2jc3 h ALA 44 Cb 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2jc3 h ALA 44 CO 0.06 0.51 0.07 0.00 0.00 0.00 0.00 179.25 179.89 2jc3 h ALA 45 N 1.42 0.46 -0.30 0.00 0.00 -1.20 -0.32 119.26 119.32 2jc3 h ALA 45 Ca 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2jc3 h ALA 45 Cb 0.60 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jc3 h ALA 45 CO 0.04 0.14 0.02 1.25 0.00 0.00 0.00 179.25 180.70 2jc3 h LEU 46 N 0.41 0.50 -0.14 0.00 5.85 -1.05 -3.01 115.31 117.87 2jc3 h LEU 46 Ca 0.11 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2jc3 h LEU 46 Cb 0.32 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2jc3 h LEU 46 CO 0.00 0.66 0.07 -1.28 -0.34 0.00 0.00 178.44 177.55 2jc3 h SER 47 N 0.32 0.17 -0.79 1.25 0.87 -0.94 0.19 113.55 114.63 2jc3 h SER 47 Ca 0.09 -0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.59 2jc3 h SER 47 Cb 0.39 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.26 2jc3 h SER 47 CO 0.01 0.22 0.52 0.24 -0.53 0.00 0.00 176.83 177.29 2jc3 h MET 48 N 0.11 0.90 0.16 2.24 2.86 -1.11 -1.05 114.93 119.05 2jc3 h MET 48 Ca 0.05 -0.05 -0.23 0.00 -2.06 0.00 0.00 59.70 57.40 2jc3 h MET 48 Cb 0.09 -0.20 0.03 0.00 0.06 0.00 0.00 31.60 31.57 2jc3 h MET 48 CO -0.01 0.60 -1.00 0.82 1.06 0.00 0.00 176.91 178.38 2jc3 h ILE 49 N 0.93 1.44 -0.26 -1.22 2.04 -1.35 -2.73 117.51 116.35 2jc3 h ILE 49 Ca 0.32 -2.54 -0.01 0.00 1.00 0.00 0.00 64.86 63.63 2jc3 h ILE 49 Cb 0.10 3.10 -0.01 0.00 -0.74 0.00 0.00 36.82 39.27 2jc3 h ILE 49 CO -0.10 0.74 0.13 0.58 0.00 0.00 0.00 178.15 179.49 2jc3 h VAL 50 N -0.18 1.15 -0.72 1.67 2.07 -0.46 -1.36 116.25 118.41 2jc3 h VAL 50 Ca -0.17 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 2jc3 h VAL 50 Cb 1.77 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.46 2jc3 h VAL 50 CO 0.19 0.15 0.31 -0.33 0.02 0.00 0.00 177.57 177.90 2jc3 h GLU 51 N 0.29 1.07 -0.66 1.57 4.39 -1.32 -0.78 114.58 119.14 2jc3 h GLU 51 Ca 0.09 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 2jc3 h GLU 51 Cb 0.12 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 2jc3 h GLU 51 CO -0.01 0.87 0.29 0.00 -1.16 0.00 0.00 179.01 179.00 2jc3 h ALA 52 N 1.15 1.27 -0.43 3.43 0.00 -1.32 -1.68 119.26 121.68 2jc3 h ALA 52 Ca 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2jc3 h ALA 52 Cb 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2jc3 h ALA 52 CO -0.02 0.55 0.19 0.93 0.00 0.00 0.00 179.25 180.89 2jc3 h GLU 53 N 0.94 0.63 -0.77 0.00 5.08 -0.34 -1.64 114.58 118.47 2jc3 h GLU 53 Ca 0.23 -0.10 0.09 0.00 -1.00 0.00 0.00 59.36 58.57 2jc3 h GLU 53 Cb 0.14 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 2jc3 h GLU 53 CO -0.03 0.56 0.50 0.87 -1.00 0.00 0.00 179.01 179.92 2jc3 h LYS 54 N 0.54 0.70 -0.04 2.33 1.57 -0.39 0.23 116.57 121.52 2jc3 h LYS 54 Ca 0.14 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2jc3 h LYS 54 Cb 0.16 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jc3 h LYS 54 CO -0.01 0.47 0.00 0.54 -0.57 0.00 0.00 179.45 179.87 2jc3 n ARG 55 N -4.50 1.20 -1.18 3.15 1.74 -0.71 -4.90 116.66 111.47 2jc3 n ARG 55 Ca 0.12 -0.30 -0.06 0.00 -0.77 0.00 0.00 57.85 56.84 2jc3 n ARG 55 Cb 0.30 -1.35 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 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 0.91 0.77 0.16 -0.13 0.00 0.07 -4.89 105.19 102.08 2jc3 n GLY 56 Ca 0.16 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.20 0.00 -3.93 1.61 5.08 -1.52 -3.46 114.58 112.56 2jc3 h GLU 57 Ca -0.13 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 2jc3 h GLU 57 Cb 0.72 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.83 2jc3 h GLU 57 CO 0.19 0.49 -0.40 0.96 -1.00 0.00 0.00 179.01 179.24 2jc3 s ILE 58 N -3.49 0.12 0.03 3.13 -4.36 -1.24 -5.02 121.20 110.37 2jc3 s ILE 58 Ca 0.00 -1.37 -0.18 0.00 -0.26 0.00 0.00 60.65 58.83 2jc3 s ILE 58 Cb 0.11 -1.61 0.04 0.00 1.25 0.00 0.00 42.46 42.25 2jc3 s ILE 58 CO 0.72 -0.52 0.41 -1.59 0.24 0.00 0.00 174.94 174.20 2jc3 s LYS 59 N -3.92 0.90 0.06 0.37 -2.85 -1.26 -4.46 119.74 108.57 2jc3 s LYS 59 Ca 0.12 -0.31 -0.37 0.00 -1.00 0.00 0.00 55.97 54.41 2jc3 s LYS 59 Cb 0.05 0.40 -0.19 0.00 -2.06 0.00 0.00 37.83 36.03 2jc3 s LYS 59 CO -0.06 -0.30 1.03 -2.30 0.10 0.00 0.00 175.35 173.82 2jc3 n PRO 60 N 0.63 0.25 0.00 1.78 -0.02 -1.26 -1.35 135.00 135.03 2jc3 n PRO 60 Ca -0.19 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 2jc3 n PRO 60 Cb 0.59 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 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 1.75 2.76 3.79 -1.23 0.00 0.55 -4.99 105.19 107.83 2jc3 n GLY 61 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.98 4.54 -0.06 1.61 -0.00 -0.46 -4.55 116.67 116.77 2jc3 s ASP 62 Ca 0.00 1.43 -0.16 0.00 -0.00 0.00 0.00 52.55 53.82 2jc3 s ASP 62 Cb 0.00 -2.18 -0.05 0.00 -0.00 0.00 0.00 42.92 40.69 2jc3 s ASP 62 CO 0.00 -1.96 0.42 -0.69 -0.00 0.00 0.00 175.17 172.94 2jc3 s VAL 63 N -3.09 5.11 -0.04 -1.27 1.01 -1.26 -1.60 120.40 119.26 2jc3 s VAL 63 Ca 0.61 0.85 0.06 0.00 0.00 0.00 0.00 61.98 63.50 2jc3 s VAL 63 Cb -0.15 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2jc3 s VAL 63 CO 0.55 0.47 -0.22 -0.76 0.00 0.00 0.00 175.10 175.14 2jc3 s LEU 64 N -0.32 2.27 0.00 3.92 1.02 -0.24 -1.49 118.68 123.85 2jc3 s LEU 64 Ca 0.24 -0.39 0.05 0.00 0.02 0.00 0.00 54.13 54.05 2jc3 s LEU 64 Cb -0.16 -1.41 -0.02 0.00 0.02 0.00 0.00 46.19 44.62 2jc3 s LEU 64 CO 0.11 0.31 -0.17 -0.63 0.02 0.00 0.00 176.35 176.00 2jc3 s ILE 65 N -0.55 1.31 -0.28 -0.59 1.01 0.03 -0.35 121.20 121.78 2jc3 s ILE 65 Ca 0.08 -0.82 -0.21 0.00 0.00 0.00 0.00 60.65 59.69 2jc3 s ILE 65 Cb -0.11 -1.11 0.11 0.00 0.01 0.00 0.00 42.46 41.36 2jc3 s ILE 65 CO 0.00 0.28 0.92 -0.70 0.00 0.00 0.00 174.94 175.44 2jc3 s GLU 66 N -0.63 0.55 -0.36 2.79 2.56 -0.89 -1.81 118.70 120.92 2jc3 s GLU 66 Ca 0.06 0.77 -0.20 0.00 0.00 0.00 0.00 54.97 55.60 2jc3 s GLU 66 Cb -0.07 0.21 0.00 0.00 2.00 0.00 0.00 34.13 36.27 2jc3 s GLU 66 CO 0.00 -0.08 0.60 0.00 -0.56 0.00 0.00 175.26 175.22 2jc3 s ALA 67 N 0.75 3.46 0.00 6.30 0.00 -1.26 -1.31 121.76 129.69 2jc3 s ALA 67 Ca -0.02 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2jc3 s ALA 67 Cb -0.05 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2jc3 s ALA 67 CO -0.09 -1.32 0.00 -2.37 0.00 0.00 0.00 175.76 171.98 2jc3 n THR 68 N 5.55 0.00 -1.60 0.00 5.66 -0.42 -4.89 114.28 118.57 2jc3 n THR 68 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2jc3 n THR 68 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 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 -4.38 113.62 112.48 2jc3 n SER 69 Ca 0.00 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 2jc3 n SER 69 Cb 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 2.78 0.37 5.00 0.00 -1.26 -4.80 105.19 107.28 2jc3 n GLY 70 Ca 0.00 -1.72 0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 0.71 -0.33 1.61 2.35 -1.99 -1.35 115.58 116.57 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 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2jc3 h ASN 71 CO 0.00 0.39 0.22 0.74 -1.65 0.00 0.00 177.43 177.13 2jc3 h THR 72 N 0.77 1.09 -0.37 2.81 2.02 -1.92 0.33 112.91 117.64 2jc3 h THR 72 Ca 0.43 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.44 2jc3 h THR 72 Cb 0.58 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2jc3 h THR 72 CO -0.19 0.09 0.24 1.23 0.37 0.00 0.00 175.52 177.25 2jc3 h GLY 73 N 0.45 0.51 0.98 2.16 0.00 -1.58 0.16 103.07 105.75 2jc3 h GLY 73 Ca 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2jc3 h GLY 73 CO -0.03 0.18 0.26 -2.22 0.00 0.00 0.00 176.54 174.73 2jc3 h ILE 74 N 0.48 1.18 -0.51 2.60 2.04 -0.79 -0.23 117.51 122.27 2jc3 h ILE 74 Ca 0.14 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 2jc3 h ILE 74 Cb -0.04 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2jc3 h ILE 74 CO -0.04 0.19 0.19 0.00 0.00 0.00 0.00 178.15 178.49 2jc3 h ALA 75 N 1.10 0.66 -0.47 1.87 0.00 -0.11 -1.36 119.26 120.95 2jc3 h ALA 75 Ca 0.17 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2jc3 h ALA 75 Cb 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2jc3 h ALA 75 CO -0.03 0.29 0.03 -0.07 0.00 0.00 0.00 179.25 179.47 2jc3 h LEU 76 N 0.68 0.79 -0.78 0.00 3.38 -0.80 0.16 115.31 118.75 2jc3 h LEU 76 Ca 0.17 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2jc3 h LEU 76 Cb 0.22 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2jc3 h LEU 76 CO -0.01 0.88 0.51 0.00 0.09 0.00 0.00 178.44 179.91 2jc3 h ALA 77 N 0.94 0.99 -0.22 1.53 0.00 -0.92 0.33 119.26 121.91 2jc3 h ALA 77 Ca 0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2jc3 h ALA 77 Cb 0.46 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2jc3 h ALA 77 CO 0.02 0.40 -0.02 1.98 0.00 0.00 0.00 179.25 181.64 2jc3 h MET 78 N 1.06 0.39 -0.81 0.00 1.85 -0.85 -1.41 114.93 115.15 2jc3 h MET 78 Ca 0.28 -0.13 -0.04 0.00 -0.61 0.00 0.00 59.70 59.20 2jc3 h MET 78 Cb -0.12 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 31.85 2jc3 h MET 78 CO -0.06 0.60 0.34 0.82 -0.40 0.00 0.00 176.91 178.21 2jc3 h ILE 79 N 0.14 1.26 -0.72 1.77 1.08 -0.72 0.13 117.51 120.46 2jc3 h ILE 79 Ca 0.06 -0.80 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 2jc3 h ILE 79 Cb 0.43 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 2jc3 h ILE 79 CO 0.01 0.33 0.47 0.00 -0.69 0.00 0.00 178.15 178.27 2jc3 h ALA 80 N 1.18 0.91 -0.44 1.87 0.00 -0.82 0.38 119.26 122.35 2jc3 h ALA 80 Ca 0.27 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 2jc3 h ALA 80 Cb 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2jc3 h ALA 80 CO -0.03 0.35 -0.15 0.00 0.00 0.00 0.00 179.25 179.42 2jc3 h ALA 81 N 1.25 0.61 -0.10 0.00 0.00 -0.80 0.16 119.26 120.39 2jc3 h ALA 81 Ca 0.26 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jc3 h ALA 81 Cb -0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2jc3 h ALA 81 CO -0.06 0.53 0.04 1.25 0.00 0.00 0.00 179.25 181.02 2jc3 h LEU 82 N 0.70 0.13 -0.59 0.00 5.85 -0.09 -3.27 115.31 118.04 2jc3 h LEU 82 Ca 0.10 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2jc3 h LEU 82 Cb 0.70 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2jc3 h LEU 82 CO 0.05 0.23 -0.30 0.29 -0.34 0.00 0.00 178.44 178.37 2jc3 n LYS 83 N -4.94 0.91 -1.20 1.25 5.02 0.13 -4.99 118.16 114.33 2jc3 n LYS 83 Ca -0.06 -0.59 0.00 0.00 -2.02 0.00 0.00 58.31 55.65 2jc3 n LYS 83 Cb 0.10 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.36 1.05 3.67 0.72 0.00 0.31 -4.75 105.19 107.54 2jc3 n GLY 84 Ca 0.12 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.32 2.76 -0.45 1.61 2.02 0.26 -0.33 117.35 120.90 2jc3 s TYR 85 Ca 0.00 -0.20 -0.17 0.00 -0.37 0.00 0.00 57.07 56.33 2jc3 s TYR 85 Cb 0.00 -1.24 0.04 0.00 -0.40 0.00 0.00 41.96 40.37 2jc3 s TYR 85 CO 0.00 0.60 0.44 1.03 -1.57 0.00 0.00 175.55 176.04 2jc3 s ARG 86 N -3.63 3.04 -0.06 -0.62 0.52 -0.63 -4.48 118.95 113.09 2jc3 s ARG 86 Ca 0.31 -1.01 -0.16 0.00 -0.52 0.00 0.00 55.73 54.36 2jc3 s ARG 86 Cb -0.07 -4.04 -0.05 0.00 0.52 0.00 0.00 34.95 31.31 2jc3 s ARG 86 CO 0.20 -0.96 0.41 1.41 0.02 0.00 0.00 175.30 176.39 2jc3 s MET 87 N 2.00 4.10 -0.15 3.54 1.75 -1.26 -1.07 119.30 128.21 2jc3 s MET 87 Ca 0.09 0.37 0.01 0.00 -1.25 0.00 0.00 55.69 54.90 2jc3 s MET 87 Cb -0.20 -3.32 0.02 0.00 2.84 0.00 0.00 34.83 34.17 2jc3 s MET 87 CO 0.11 0.45 -0.15 0.15 -0.65 0.00 0.00 175.02 174.92 2jc3 s LYS 88 N -0.30 2.42 -0.13 4.11 1.02 0.52 -1.41 119.74 125.97 2jc3 s LYS 88 Ca 0.23 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.62 2jc3 s LYS 88 Cb -0.16 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 34.98 2jc3 s LYS 88 CO 0.11 -0.21 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.66 2jc3 s LEU 89 N 1.38 2.48 -0.11 3.17 1.43 -0.47 -2.10 118.68 124.46 2jc3 s LEU 89 Ca 0.03 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 2jc3 s LEU 89 Cb -0.13 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 2jc3 s LEU 89 CO -0.10 0.13 0.07 -0.76 0.23 0.00 0.00 176.35 175.92 2jc3 s LEU 90 N 0.55 3.98 0.03 1.79 1.02 -0.43 -1.11 118.68 124.51 2jc3 s LEU 90 Ca -0.10 0.28 -0.27 0.00 0.02 0.00 0.00 54.13 54.06 2jc3 s LEU 90 Cb -0.16 -1.95 0.09 0.00 0.02 0.00 0.00 46.19 44.19 2jc3 s LEU 90 CO 0.04 0.36 0.79 0.00 0.02 0.00 0.00 176.35 177.56 2jc3 s MET 91 N -0.77 0.96 0.54 1.70 0.23 -1.10 -1.30 119.30 119.55 2jc3 s MET 91 Ca 0.13 -0.26 -0.19 0.00 -1.03 0.00 0.00 55.69 54.34 2jc3 s MET 91 Cb -0.12 0.44 -0.06 0.00 -1.53 0.00 0.00 34.83 33.57 2jc3 s MET 91 CO 0.03 -0.40 1.11 -1.25 -2.03 0.00 0.00 175.02 172.47 2jc3 s PRO 92 N -2.94 3.41 0.00 3.16 0.04 -1.26 -1.48 135.00 135.93 2jc3 s PRO 92 Ca 0.02 1.53 -0.03 0.00 0.04 0.00 0.00 61.00 62.56 2jc3 s PRO 92 Cb -0.01 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 2jc3 s PRO 92 CO -0.07 -0.78 2.04 -3.47 0.04 0.00 0.00 177.00 174.75 2jc3 n ASP 93 N -1.33 3.23 -1.62 6.66 4.64 0.44 -3.82 116.55 124.74 2jc3 n ASP 93 Ca 0.11 -2.02 0.01 0.00 -1.38 0.00 0.00 54.79 51.51 2jc3 n ASP 93 Cb 0.51 -0.81 0.07 0.00 -1.04 0.00 0.00 41.12 39.85 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 2.38 1.59 -4.80 1.67 0.23 -1.26 -4.81 115.26 110.25 2jc3 n ASN 94 Ca 0.18 -2.55 -0.38 0.00 -0.53 0.00 0.00 54.58 51.30 2jc3 n ASN 94 Cb 0.48 -0.39 -0.06 0.00 -2.08 0.00 0.00 39.78 37.73 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 -1.74 4.35 1.09 -3.83 -1.94 -1.25 -5.05 119.30 110.93 2jc3 s MET 95 Ca 0.35 0.93 -0.13 0.00 -1.71 0.00 0.00 55.69 55.13 2jc3 s MET 95 Cb 0.37 -3.11 0.24 0.00 2.01 0.00 0.00 34.83 34.35 2jc3 s MET 95 CO -0.11 0.52 1.06 -1.54 -0.01 0.00 0.00 175.02 174.94 2jc3 s SER 96 N -1.34 1.69 0.29 3.03 1.04 -1.26 -4.84 113.70 112.31 2jc3 s SER 96 Ca 0.37 1.40 0.15 0.00 0.48 0.00 0.00 55.95 58.35 2jc3 s SER 96 Cb -0.20 -2.13 0.31 0.00 0.10 0.00 0.00 66.02 64.11 2jc3 s SER 96 CO 0.22 -3.74 1.56 -0.61 0.98 0.00 0.00 173.24 171.65 2jc3 h GLN 97 N -2.31 0.00 -0.02 4.02 5.75 -1.99 -2.56 115.11 118.00 2jc3 h GLN 97 Ca -0.58 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 57.70 2jc3 h GLN 97 Cb 1.33 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.88 2jc3 h GLN 97 CO 0.53 0.55 -0.90 0.93 -2.65 0.00 0.00 178.83 177.29 2jc3 h GLU 98 N 0.00 0.45 -0.62 1.69 5.08 -1.99 -1.62 114.58 117.58 2jc3 h GLU 98 Ca -0.01 -0.46 -0.07 0.00 -1.00 0.00 0.00 59.36 57.83 2jc3 h GLU 98 Cb 1.21 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 2jc3 h GLU 98 CO 0.07 1.11 0.11 -0.09 -1.00 0.00 0.00 179.01 179.21 2jc3 h ARG 99 N 0.27 1.00 -0.18 2.33 2.43 -1.90 -2.07 114.38 116.27 2jc3 h ARG 99 Ca -0.07 -0.25 -0.17 0.00 -0.81 0.00 0.00 59.98 58.68 2jc3 h ARG 99 Cb 1.53 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.94 2jc3 h ARG 99 CO 0.16 0.92 -0.58 0.00 -1.51 0.00 0.00 179.97 178.96 2jc3 h ARG 100 N 0.95 0.57 -0.20 0.20 3.08 -1.42 -3.14 114.38 114.41 2jc3 h ARG 100 Ca 0.19 -0.37 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 2jc3 h ARG 100 Cb 0.39 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2jc3 h ARG 100 CO 0.01 0.99 -0.11 0.00 -1.07 0.00 0.00 179.97 179.78 2jc3 h ALA 101 N 0.93 1.44 -0.30 0.04 0.00 -0.85 -1.25 119.26 119.28 2jc3 h ALA 101 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2jc3 h ALA 101 Cb 1.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2jc3 h ALA 101 CO 0.11 0.39 0.11 0.00 0.00 0.00 0.00 179.25 179.86 2jc3 h ALA 102 N 1.59 1.63 0.12 0.00 0.00 -1.33 -1.55 119.26 119.72 2jc3 h ALA 102 Ca 0.06 -0.09 -0.32 0.00 0.00 0.00 0.00 54.91 54.56 2jc3 h ALA 102 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jc3 h ALA 102 CO 0.02 0.29 -1.68 0.52 0.00 0.00 0.00 179.25 178.40 2jc3 h MET 103 N 0.42 0.26 0.00 0.00 2.07 -1.56 -3.37 114.93 112.75 2jc3 h MET 103 Ca 0.10 -0.45 -0.04 0.00 -2.07 0.00 0.00 59.70 57.25 2jc3 h MET 103 Cb 0.11 0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 30.00 2jc3 h MET 103 CO -0.01 1.21 -0.18 0.00 1.07 0.00 0.00 176.91 179.00 2jc3 h ARG 104 N -0.15 0.00 -0.66 1.72 3.08 -1.19 -2.83 114.38 114.34 2jc3 h ARG 104 Ca -0.36 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.79 2jc3 h ARG 104 Cb 1.89 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.89 2jc3 h ARG 104 CO 0.07 0.18 0.44 0.00 -1.07 0.00 0.00 179.97 179.59 2jc3 h ALA 105 N 1.82 1.97 -0.03 0.04 0.00 -1.44 0.13 119.26 121.74 2jc3 h ALA 105 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jc3 h ALA 105 Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2jc3 h ALA 105 CO 0.02 -0.12 0.00 0.66 0.00 0.00 0.00 179.25 179.81 2jc3 n TYR 106 N -4.48 0.03 -0.50 0.00 4.02 -1.07 -4.90 117.16 110.26 2jc3 n TYR 106 Ca 0.11 -0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 2jc3 n TYR 106 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 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 1.07 0.74 3.80 2.72 0.00 0.44 -4.56 105.19 109.40 2jc3 n GLY 107 Ca 0.19 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.20 4.61 0.00 -1.23 -4.78 121.76 121.04 2jc3 s ALA 108 Ca 0.00 0.56 -0.13 0.00 0.00 0.00 0.00 51.96 52.39 2jc3 s ALA 108 Cb 0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 2jc3 s ALA 108 CO 0.00 -0.31 0.28 -2.00 0.00 0.00 0.00 175.76 173.73 2jc3 s GLU 109 N -3.31 4.17 -0.22 0.00 2.12 -0.50 -4.47 118.70 116.49 2jc3 s GLU 109 Ca 0.66 0.00 -0.10 0.00 0.36 0.00 0.00 54.97 55.90 2jc3 s GLU 109 Cb -0.15 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.69 2jc3 s GLU 109 CO 0.21 0.10 0.14 -0.51 -0.54 0.00 0.00 175.26 174.66 2jc3 s LEU 110 N 0.91 4.15 -0.32 2.70 1.43 -1.26 -1.37 118.68 124.92 2jc3 s LEU 110 Ca 0.14 0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 53.35 2jc3 s LEU 110 Cb -0.14 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 44.02 2jc3 s LEU 110 CO 0.05 0.13 0.08 -0.63 0.23 0.00 0.00 176.35 176.20 2jc3 s ILE 111 N 0.68 3.71 0.16 -0.59 1.01 -0.26 -4.96 121.20 120.95 2jc3 s ILE 111 Ca 0.08 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.56 2jc3 s ILE 111 Cb -0.12 -3.04 -0.07 0.00 0.01 0.00 0.00 42.46 39.24 2jc3 s ILE 111 CO 0.01 -0.07 0.58 -0.76 0.00 0.00 0.00 174.94 174.70 2jc3 s LEU 112 N 1.41 4.33 0.42 2.97 1.43 -1.26 -2.72 118.68 125.26 2jc3 s LEU 112 Ca -0.01 1.14 0.07 0.00 -1.03 0.00 0.00 54.13 54.30 2jc3 s LEU 112 Cb -0.19 -3.34 -0.06 0.00 0.03 0.00 0.00 46.19 42.64 2jc3 s LEU 112 CO 0.02 0.08 0.12 0.68 0.23 0.00 0.00 176.35 177.48 2jc3 s VAL 113 N -1.49 2.16 0.74 -1.59 -7.23 -0.55 -4.93 120.40 107.52 2jc3 s VAL 113 Ca 0.39 -1.81 -0.11 0.00 -1.81 0.00 0.00 61.98 58.64 2jc3 s VAL 113 Cb -0.15 -2.97 0.04 0.00 0.56 0.00 0.00 36.38 33.86 2jc3 s VAL 113 CO 0.19 0.00 1.08 0.42 -0.31 0.00 0.00 175.10 176.48 2jc3 s THR 114 N -2.65 3.59 0.29 5.32 -4.23 -1.26 -0.42 115.64 116.28 2jc3 s THR 114 Ca 0.38 0.52 -0.02 0.00 -1.18 0.00 0.00 61.69 61.39 2jc3 s THR 114 Cb 0.06 -3.23 0.27 0.00 1.34 0.00 0.00 72.50 70.94 2jc3 s THR 114 CO 0.20 -0.68 1.94 0.11 -0.54 0.00 0.00 174.62 175.66 2jc3 h LYS 115 N -0.91 1.12 -0.53 3.99 1.57 -1.92 -1.24 116.57 118.65 2jc3 h LYS 115 Ca -0.45 -0.07 0.08 0.00 -1.87 0.00 0.00 60.65 58.34 2jc3 h LYS 115 Cb 1.23 -0.25 -0.06 0.00 0.08 0.00 0.00 32.23 33.23 2jc3 h LYS 115 CO 0.57 0.74 0.18 0.93 -0.57 0.00 0.00 179.45 181.30 2jc3 h GLU 116 N 1.15 0.35 -0.17 3.15 3.07 -2.01 -1.27 114.58 118.85 2jc3 h GLU 116 Ca 0.35 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 59.10 2jc3 h GLU 116 Cb -0.02 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 2jc3 h GLU 116 CO -0.10 0.23 -0.28 1.96 -1.40 0.00 0.00 179.01 179.42 2jc3 h GLN 117 N 0.36 0.32 0.00 2.33 4.20 -1.63 -3.48 115.11 117.21 2jc3 h GLN 117 Ca 0.26 -0.12 0.07 0.00 0.06 0.00 0.00 58.65 58.92 2jc3 h GLN 117 Cb 0.29 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2jc3 h GLN 117 CO -0.27 0.58 -0.09 0.41 -0.67 0.00 0.00 178.83 178.79 2jc3 n GLY 118 N -0.44 -0.85 0.37 3.46 0.00 -0.48 -0.54 105.19 106.71 2jc3 n GLY 118 Ca -0.01 -0.77 0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 0.58 -0.12 1.61 2.86 -1.90 -0.51 114.93 117.44 2jc3 h MET 119 Ca 0.01 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 2jc3 h MET 119 Cb 0.23 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2jc3 h MET 119 CO 0.00 0.38 -0.51 1.49 1.06 0.00 0.00 176.91 179.33 2jc3 h GLU 120 N 0.60 0.33 -0.24 1.72 4.57 -1.98 -1.03 114.58 118.54 2jc3 h GLU 120 Ca 0.42 -0.19 -0.13 0.00 -1.18 0.00 0.00 59.36 58.29 2jc3 h GLU 120 Cb 0.77 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 2jc3 h GLU 120 CO -0.18 0.76 -0.38 0.78 -1.18 0.00 0.00 179.01 178.82 2jc3 h GLY 121 N 1.28 0.59 0.93 1.92 0.00 0.72 -1.51 103.07 107.01 2jc3 h GLY 121 Ca 0.01 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 2jc3 h GLY 121 CO 0.08 0.52 0.05 0.00 0.00 0.00 0.00 176.54 177.19 2jc3 h ALA 122 N 1.14 0.50 -0.50 3.60 0.00 -0.92 0.30 119.26 123.37 2jc3 h ALA 122 Ca 0.04 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.80 2jc3 h ALA 122 Cb 0.86 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2jc3 h ALA 122 CO 0.07 0.23 0.19 0.00 0.00 0.00 0.00 179.25 179.74 2jc3 h ARG 123 N 0.47 0.36 -0.20 0.00 2.47 -0.87 0.30 114.38 116.92 2jc3 h ARG 123 Ca 0.11 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 2jc3 h ARG 123 Cb 0.39 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 2jc3 h ARG 123 CO 0.01 0.24 0.11 -0.44 0.56 0.00 0.00 179.97 180.45 2jc3 h ASP 124 N 0.37 0.24 -0.62 7.04 3.45 -1.04 -1.51 116.42 124.36 2jc3 h ASP 124 Ca 0.24 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.64 2jc3 h ASP 124 Cb 0.24 -0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 38.92 2jc3 h ASP 124 CO -0.24 0.24 0.40 0.25 -1.57 0.00 0.00 179.24 178.33 2jc3 h LEU 125 N 0.22 0.71 -0.34 1.55 5.85 -0.23 -0.82 115.31 122.26 2jc3 h LEU 125 Ca 0.07 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2jc3 h LEU 125 Cb 0.05 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2jc3 h LEU 125 CO -0.01 0.52 0.18 0.00 -0.34 0.00 0.00 178.44 178.79 2jc3 h ALA 126 N 1.22 0.43 -0.62 1.25 0.00 -0.73 0.80 119.26 121.60 2jc3 h ALA 126 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2jc3 h ALA 126 Cb -0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2jc3 h ALA 126 CO -0.05 -0.18 0.39 1.25 0.00 0.00 0.00 179.25 180.67 2jc3 h LEU 127 N 0.38 0.72 0.03 0.00 5.85 -0.90 -1.68 115.31 119.71 2jc3 h LEU 127 Ca 0.14 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2jc3 h LEU 127 Cb 0.03 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 2jc3 h LEU 127 CO -0.08 0.54 -0.03 0.00 -0.34 0.00 0.00 178.44 178.53 2jc3 h ALA 128 N 1.21 -0.05 -0.92 1.25 0.00 -0.56 -0.39 119.26 119.79 2jc3 h ALA 128 Ca 0.22 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.22 2jc3 h ALA 128 Cb -0.07 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2jc3 h ALA 128 CO -0.05 -0.53 0.60 0.52 0.00 0.00 0.00 179.25 179.78 2jc3 h MET 129 N -0.06 0.93 -0.33 0.00 2.86 -0.60 0.17 114.93 117.89 2jc3 h MET 129 Ca 0.00 -0.06 -0.17 0.00 -2.06 0.00 0.00 59.70 57.42 2jc3 h MET 129 Cb 0.06 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 2jc3 h MET 129 CO -0.01 0.62 -0.45 0.66 1.06 0.00 0.00 176.91 178.79 2jc3 h SER 130 N 0.96 0.93 0.55 1.22 4.64 -0.91 0.12 113.55 121.06 2jc3 h SER 130 Ca 0.42 -0.45 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 2jc3 h SER 130 Cb 0.36 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2jc3 h SER 130 CO -0.18 1.24 -0.28 -0.33 -0.87 0.00 0.00 176.83 176.40 2jc3 h GLU 131 N 0.69 0.00 -0.02 4.77 5.08 0.45 -0.01 114.58 125.54 2jc3 h GLU 131 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2jc3 h GLU 131 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2jc3 h GLU 131 CO 0.10 0.28 0.00 0.54 -1.00 0.00 0.00 179.01 178.93 2jc3 n ARG 132 N -3.73 1.07 -1.91 2.33 1.74 0.45 -4.87 116.66 111.73 2jc3 n ARG 132 Ca -0.01 -0.10 -0.06 0.00 -0.77 0.00 0.00 57.85 56.90 2jc3 n ARG 132 Cb 0.38 -1.29 -0.01 0.00 -1.02 0.00 0.00 32.46 30.52 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 0.81 0.28 0.14 -0.13 0.00 -0.02 -4.95 105.19 101.32 2jc3 n GLY 133 Ca 0.14 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.88 0.55 0.00 1.61 1.02 0.40 -5.00 120.64 117.34 2jc3 n GLU 134 Ca -0.07 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 56.79 2jc3 n GLU 134 Cb 0.48 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 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 1.37 1.82 3.63 0.62 0.00 -1.26 -4.79 105.19 106.58 2jc3 n GLY 135 Ca 0.11 -0.98 -0.41 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 4.07 0.10 1.61 2.47 -0.55 -4.37 119.74 121.07 2jc3 s LYS 136 Ca 0.00 0.67 -0.30 0.00 -1.56 0.00 0.00 55.97 54.78 2jc3 s LYS 136 Cb 0.00 -3.68 -0.06 0.00 -1.46 0.00 0.00 37.83 32.63 2jc3 s LYS 136 CO 0.00 -0.55 1.08 -1.17 0.16 0.00 0.00 175.35 174.88 2jc3 s LEU 137 N 2.77 4.44 -0.10 5.43 2.96 -1.26 -0.79 118.68 132.12 2jc3 s LEU 137 Ca 0.31 1.94 -0.13 0.00 -0.22 0.00 0.00 54.13 56.03 2jc3 s LEU 137 Cb -0.15 -3.59 -0.27 0.00 0.50 0.00 0.00 46.19 42.68 2jc3 s LEU 137 CO 0.10 -0.27 0.51 -0.07 -1.32 0.00 0.00 176.35 175.30 2jc3 h LEU 138 N 5.93 0.41 -2.79 -0.68 3.38 -1.76 -3.48 115.31 116.32 2jc3 h LEU 138 Ca -0.43 -0.87 -0.15 0.00 0.09 0.00 0.00 57.88 56.53 2jc3 h LEU 138 Cb 1.21 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2jc3 h LEU 138 CO 0.75 1.69 -0.37 -0.67 0.09 0.00 0.00 178.44 179.94 2jc3 n ASP 139 N -3.81 -6.91 -0.11 -0.43 4.64 -1.26 -4.49 116.55 104.17 2jc3 n ASP 139 Ca -0.27 -0.30 0.26 0.00 -1.38 0.00 0.00 54.79 53.10 2jc3 n ASP 139 Cb 0.95 -4.19 0.72 0.00 -1.04 0.00 0.00 41.12 37.56 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 0.35 0.00 0.00 -0.67 3.07 -1.96 -0.24 115.11 115.66 2jc3 h GLN 140 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.54 2jc3 h GLN 140 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.69 2jc3 h GLN 140 CO 0.31 0.00 -0.02 0.74 0.09 0.00 0.00 178.83 179.95 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 0.36 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.13 2jc3 h PHE 141 Cb 1.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.68 2jc3 h PHE 141 CO 0.00 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 177.80 2jc3 n ASN 142 N -2.98 0.01 -4.62 2.17 3.02 -0.62 -2.31 115.26 109.92 2jc3 n ASN 142 Ca 0.04 -0.43 -0.43 0.00 -0.03 0.00 0.00 54.58 53.74 2jc3 n ASN 142 Cb 0.52 0.83 -0.02 0.00 -0.61 0.00 0.00 39.78 40.49 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 -0.83 6.61 0.63 6.41 3.84 -0.20 -4.61 114.94 126.79 2jc3 s ASN 143 Ca 0.00 1.07 0.31 0.00 0.21 0.00 0.00 52.86 54.45 2jc3 s ASN 143 Cb 0.00 -2.54 1.71 0.00 -0.55 0.00 0.00 41.25 39.87 2jc3 s ASN 143 CO 0.00 -1.16 2.03 -0.65 -2.79 0.00 0.00 177.10 174.53 2jc3 h PRO 144 N 9.54 0.00 0.00 0.43 0.11 -1.93 -1.27 132.00 138.87 2jc3 h PRO 144 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2jc3 h PRO 144 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2jc3 h PRO 144 CO 1.05 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 178.40 2jc3 h ASP 145 N 0.00 0.00 0.27 -2.05 3.45 -1.93 -2.26 116.42 113.91 2jc3 h ASP 145 Ca 0.07 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.52 2jc3 h ASP 145 Cb 0.62 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.39 2jc3 h ASP 145 CO -0.00 0.00 -0.13 -1.13 -1.57 0.00 0.00 179.24 176.41 2jc3 h ASN 146 N 0.00 -0.31 0.02 6.45 -0.73 -1.52 -2.89 115.58 116.61 2jc3 h ASN 146 Ca 0.00 0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.18 2jc3 h ASN 146 Cb 0.40 0.08 -0.00 0.00 0.27 0.00 0.00 38.32 39.07 2jc3 h ASN 146 CO 0.00 -0.08 -0.01 1.55 -0.37 0.00 0.00 177.43 178.51 2jc3 h PRO 147 N -0.64 0.00 -0.64 6.67 0.13 -1.71 -1.78 132.00 134.02 2jc3 h PRO 147 Ca -0.04 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.14 2jc3 h PRO 147 Cb 0.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.37 2jc3 h PRO 147 CO 0.06 0.01 0.42 -0.92 -0.23 0.00 0.00 178.00 177.35 2jc3 h TYR 148 N 0.00 0.70 -0.69 1.56 3.20 -1.44 0.19 116.97 120.50 2jc3 h TYR 148 Ca -0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 2jc3 h TYR 148 Cb 0.03 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 2jc3 h TYR 148 CO 0.00 0.40 0.31 0.00 -1.64 0.00 0.00 178.16 177.23 2jc3 h ALA 149 N 1.64 1.26 0.00 1.82 0.00 -1.09 -2.12 119.26 120.76 2jc3 h ALA 149 Ca 0.26 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 2jc3 h ALA 149 Cb 0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2jc3 h ALA 149 CO -0.08 0.56 -0.84 0.45 0.00 0.00 0.00 179.25 179.35 2jc3 h HIS 150 N 0.98 0.00 -0.20 0.00 3.86 -1.17 -1.14 115.15 117.47 2jc3 h HIS 150 Ca 0.24 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.34 2jc3 h HIS 150 Cb 0.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 2jc3 h HIS 150 CO 0.01 0.84 -0.33 -0.92 0.86 0.00 0.00 177.93 178.39 2jc3 h TYR 151 N 0.00 0.47 0.00 2.45 3.20 -0.77 0.13 116.97 122.45 2jc3 h TYR 151 Ca -0.01 -0.11 -0.11 0.00 3.14 0.00 0.00 58.73 61.64 2jc3 h TYR 151 Cb 1.60 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.74 2jc3 h TYR 151 CO 0.00 0.69 -1.78 0.25 -1.64 0.00 0.00 178.16 175.68 2jc3 n THR 152 N -4.08 0.64 0.04 1.81 -2.24 -0.82 -4.43 114.28 105.20 2jc3 n THR 152 Ca -0.01 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2jc3 n THR 152 Cb 0.44 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.56 0.82 0.06 4.28 -2.24 -0.44 -4.68 114.28 109.53 2jc3 n THR 153 Ca -0.10 0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.83 2jc3 n THR 153 Cb 0.74 -1.33 -0.05 0.00 -2.10 0.00 0.00 70.33 67.60 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 0.45 0.15 4.28 2.02 -1.60 -0.84 112.91 117.38 2jc3 h THR 154 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2jc3 h THR 154 Cb 0.00 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2jc3 h THR 154 CO 0.00 0.00 -0.07 1.23 0.37 0.00 0.00 175.52 177.05 2jc3 h GLY 155 N -0.38 -0.22 1.17 2.16 0.00 -0.99 -2.04 103.07 102.77 2jc3 h GLY 155 Ca 0.06 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.53 2jc3 h GLY 155 CO -0.21 -0.08 0.39 -2.55 0.00 0.00 0.00 176.54 174.10 2jc3 h PRO 156 N -0.26 0.53 -0.21 4.80 0.11 -1.74 -1.43 132.00 133.79 2jc3 h PRO 156 Ca -0.02 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.00 2jc3 h PRO 156 Cb 0.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 2jc3 h PRO 156 CO 0.03 0.35 -0.10 0.93 -0.21 0.00 0.00 178.00 179.00 2jc3 h GLU 157 N 0.55 0.44 -0.50 1.05 5.08 -0.90 -1.81 114.58 118.50 2jc3 h GLU 157 Ca 0.26 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2jc3 h GLU 157 Cb 0.32 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2jc3 h GLU 157 CO -0.08 0.73 0.31 0.82 -1.00 0.00 0.00 179.01 179.80 2jc3 h ILE 158 N 0.15 1.14 -0.55 3.13 2.04 -0.88 0.62 117.51 123.17 2jc3 h ILE 158 Ca 0.05 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 2jc3 h ILE 158 Cb 0.60 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 2jc3 h ILE 158 CO 0.03 0.14 0.33 -0.25 0.00 0.00 0.00 178.15 178.40 2jc3 h TRP 159 N 0.67 0.72 -0.19 1.37 2.91 -1.22 -0.81 115.95 119.40 2jc3 h TRP 159 Ca 0.18 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.15 2jc3 h TRP 159 Cb -0.04 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.37 2jc3 h TRP 159 CO -0.03 0.49 -0.08 -0.09 -1.03 0.00 0.00 178.44 177.70 2jc3 h ARG 160 N 0.73 0.39 -0.35 2.65 2.43 -0.82 -0.84 114.38 118.57 2jc3 h ARG 160 Ca 0.20 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2jc3 h ARG 160 Cb -0.02 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2jc3 h ARG 160 CO -0.04 0.68 0.11 1.96 -1.51 0.00 0.00 179.97 181.18 2jc3 h GLN 161 N 0.09 0.51 -0.46 0.20 4.20 0.49 -1.01 115.11 119.12 2jc3 h GLN 161 Ca 0.04 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2jc3 h GLN 161 Cb 0.56 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2jc3 h GLN 161 CO 0.03 0.45 0.00 0.25 -0.67 0.00 0.00 178.83 178.89 2jc3 n THR 162 N -4.37 0.61 -4.15 -0.54 -2.24 -0.33 -4.94 114.28 98.32 2jc3 n THR 162 Ca 0.02 -0.64 -0.34 0.00 -2.27 0.00 0.00 64.05 60.82 2jc3 n THR 162 Cb 0.16 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.94 -2.78 0.00 3.42 7.64 -0.38 -0.40 113.62 122.06 2jc3 n SER 163 Ca 0.17 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 59.05 2jc3 n SER 163 Cb 0.43 -2.88 0.00 0.00 -1.01 0.00 0.00 64.21 60.75 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 -1.55 0.47 0.21 0.23 0.00 -0.36 -4.88 105.19 99.31 2jc3 n GLY 164 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 1.30 0.00 -6.37 1.61 3.08 -1.01 -3.47 114.38 109.52 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 0.17 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.29 2jc3 h ARG 165 CO 0.00 0.00 0.37 1.51 -1.07 0.00 0.00 179.97 180.78 2jc3 n ILE 166 N -3.03 0.74 -0.00 2.04 3.06 -1.26 -4.64 119.36 116.27 2jc3 n ILE 166 Ca 0.04 -0.19 0.00 0.00 -2.50 0.00 0.00 62.75 60.11 2jc3 n ILE 166 Cb 0.52 -0.97 -0.02 0.00 0.54 0.00 0.00 39.64 39.71 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 1.78 0.04 -3.98 9.51 -2.24 -0.50 -4.86 114.28 114.03 2jc3 n THR 167 Ca 0.15 -0.06 -0.12 0.00 -2.27 0.00 0.00 64.05 61.75 2jc3 n THR 167 Cb 0.25 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.12 0.27 -0.10 4.78 3.76 -1.14 -1.25 115.29 119.48 2jc3 s HIS 168 Ca -0.01 -0.26 0.02 0.00 -0.15 0.00 0.00 55.06 54.66 2jc3 s HIS 168 Cb 0.01 -0.17 0.01 0.00 1.11 0.00 0.00 32.58 33.54 2jc3 s HIS 168 CO 0.09 -0.07 -0.14 0.12 -0.85 0.00 0.00 174.74 173.88 2jc3 s PHE 169 N -0.69 1.87 -0.12 1.40 5.36 -0.19 -1.41 117.98 124.19 2jc3 s PHE 169 Ca -0.06 -0.85 0.02 0.00 -0.96 0.00 0.00 56.93 55.07 2jc3 s PHE 169 Cb -0.05 -1.36 -0.01 0.00 -0.34 0.00 0.00 43.02 41.26 2jc3 s PHE 169 CO -0.00 -0.44 -0.18 0.08 -1.46 0.00 0.00 175.22 173.21 2jc3 s VAL 170 N 0.97 2.58 -0.09 3.12 1.01 0.62 0.18 120.40 128.79 2jc3 s VAL 170 Ca -0.07 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 2jc3 s VAL 170 Cb -0.15 -2.05 0.04 0.00 0.00 0.00 0.00 36.38 34.22 2jc3 s VAL 170 CO -0.01 0.54 0.22 -0.55 0.00 0.00 0.00 175.10 175.29 2jc3 s SER 171 N 0.45 -0.22 -0.03 3.32 0.15 -0.52 -2.36 113.70 114.49 2jc3 s SER 171 Ca -0.13 0.45 -0.30 0.00 0.70 0.00 0.00 55.95 56.68 2jc3 s SER 171 Cb -0.17 0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 64.47 2jc3 s SER 171 CO 0.06 -0.14 1.10 -0.44 1.20 0.00 0.00 173.24 175.01 2jc3 s SER 172 N 1.01 7.18 -0.26 5.45 0.01 -1.26 -0.65 113.70 125.17 2jc3 s SER 172 Ca -0.07 1.76 -0.15 0.00 1.31 0.00 0.00 55.95 58.79 2jc3 s SER 172 Cb -0.09 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 2jc3 s SER 172 CO -0.06 -0.45 0.40 -0.04 0.41 0.00 0.00 173.24 173.50 2jc3 s MET 173 N 1.60 4.04 0.00 12.44 1.00 -0.51 -4.88 119.30 132.98 2jc3 s MET 173 Ca 0.54 0.09 0.00 0.00 0.00 0.00 0.00 55.69 56.32 2jc3 s MET 173 Cb -0.23 -3.65 0.00 0.00 0.00 0.00 0.00 34.83 30.95 2jc3 s MET 173 CO 0.24 -0.27 0.00 0.41 0.00 0.00 0.00 175.02 175.40 2jc3 n GLY 174 N 4.58 0.21 0.22 -0.03 0.00 -1.26 -3.92 105.19 104.99 2jc3 n GLY 174 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 0.18 0.00 2.61 1.35 -1.93 -3.45 112.91 111.67 2jc3 h THR 175 Ca 0.00 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 2jc3 h THR 175 Cb 0.00 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2jc3 h THR 175 CO 0.00 0.09 0.00 0.35 -0.25 0.00 0.00 175.52 175.71 2jc3 n THR 176 N -3.15 0.00 -0.29 6.82 -2.24 -1.26 -4.66 114.28 109.50 2jc3 n THR 176 Ca 0.03 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.79 2jc3 n THR 176 Cb 0.50 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.88 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 1.24 0.66 3.38 0.00 -1.92 -1.18 103.07 105.26 2jc3 h GLY 177 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 2jc3 h GLY 177 CO 0.00 0.49 -0.10 -0.84 0.00 0.00 0.00 176.54 176.09 2jc3 h THR 178 N 1.18 0.88 -0.63 4.70 2.02 -1.91 -1.13 112.91 118.02 2jc3 h THR 178 Ca 0.31 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.77 2jc3 h THR 178 Cb -0.06 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 2jc3 h THR 178 CO -0.06 0.15 0.17 -0.29 0.37 0.00 0.00 175.52 175.85 2jc3 h ILE 179 N -0.62 1.24 0.34 3.11 2.10 -1.91 -0.51 117.51 121.27 2jc3 h ILE 179 Ca -0.03 -0.88 -0.02 0.00 1.08 0.00 0.00 64.86 65.02 2jc3 h ILE 179 Cb 0.45 0.58 0.00 0.00 -1.09 0.00 0.00 36.82 36.76 2jc3 h ILE 179 CO 0.05 0.33 -0.16 0.74 -1.08 0.00 0.00 178.15 178.03 2jc3 h THR 180 N 0.94 0.69 -0.52 2.19 2.02 -1.22 0.29 112.91 117.30 2jc3 h THR 180 Ca 0.20 -0.19 -0.12 0.00 0.77 0.00 0.00 66.41 67.08 2jc3 h THR 180 Cb 0.32 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2jc3 h THR 180 CO -0.00 0.04 -0.13 1.23 0.37 0.00 0.00 175.52 177.02 2jc3 h GLY 181 N -0.55 1.10 1.08 2.16 0.00 -1.12 -1.29 103.07 104.45 2jc3 h GLY 181 Ca -0.05 -0.92 -0.14 0.00 0.00 0.00 0.00 47.33 46.23 2jc3 h GLY 181 CO 0.08 0.84 -0.28 -2.08 0.00 0.00 0.00 176.54 175.09 2jc3 h VAL 182 N 0.89 1.28 -0.45 4.60 2.07 -1.11 -2.66 116.25 120.86 2jc3 h VAL 182 Ca 0.13 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 2jc3 h VAL 182 Cb 0.71 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2jc3 h VAL 182 CO 0.05 0.48 0.21 -1.28 0.02 0.00 0.00 177.57 177.06 2jc3 h SER 183 N 0.73 0.60 -0.57 0.57 0.87 -0.83 -0.66 113.55 114.25 2jc3 h SER 183 Ca 0.08 -0.13 0.10 0.00 -1.23 0.00 0.00 61.79 60.60 2jc3 h SER 183 Cb 0.86 -0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 62.59 2jc3 h SER 183 CO 0.08 0.57 0.16 0.03 -0.53 0.00 0.00 176.83 177.13 2jc3 h ARG 184 N 0.59 0.30 -0.37 2.24 3.08 -1.19 0.17 114.38 119.21 2jc3 h ARG 184 Ca 0.15 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 2jc3 h ARG 184 Cb 0.13 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2jc3 h ARG 184 CO -0.02 0.20 -0.22 0.35 -1.07 0.00 0.00 179.97 179.21 2jc3 h PHE 185 N 0.31 0.93 -0.22 3.04 3.04 -1.11 -3.17 116.94 119.76 2jc3 h PHE 185 Ca 0.29 -0.24 -0.09 0.00 3.98 0.00 0.00 57.97 61.91 2jc3 h PHE 185 Cb 0.39 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 2jc3 h PHE 185 CO -0.21 1.00 -0.23 -0.07 -2.02 0.00 0.00 178.31 176.78 2jc3 h LEU 186 N 0.59 0.40 -1.94 0.59 3.38 -0.34 -2.40 115.31 115.59 2jc3 h LEU 186 Ca 0.08 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2jc3 h LEU 186 Cb 0.78 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2jc3 h LEU 186 CO 0.06 0.64 0.05 0.03 0.09 0.00 0.00 178.44 179.31 2jc3 h ARG 187 N 0.36 0.08 0.00 1.13 2.47 -0.67 -1.28 114.38 116.47 2jc3 h ARG 187 Ca 0.06 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2jc3 h ARG 187 Cb 0.61 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2jc3 h ARG 187 CO 0.04 0.05 0.00 0.39 0.56 0.00 0.00 179.97 181.02 2jc3 n GLU 188 N -4.53 0.52 -3.58 0.04 1.02 -0.90 -4.75 120.64 108.46 2jc3 n GLU 188 Ca -0.02 0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 2jc3 n GLU 188 Cb 0.10 -1.50 -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 -2.05 3.62 0.06 3.49 -1.52 -0.49 -5.00 119.66 117.77 2jc3 s GLN 189 Ca 0.25 -0.09 -0.24 0.00 -1.95 0.00 0.00 55.36 53.33 2jc3 s GLN 189 Cb 0.12 -2.78 -0.16 0.00 -0.22 0.00 0.00 33.01 29.96 2jc3 s GLN 189 CO 0.20 0.38 1.62 1.49 -0.25 0.00 0.00 175.29 178.73 2jc3 h GLU 190 N 2.34 -0.06 -6.68 2.91 4.81 -1.87 -3.42 114.58 112.61 2jc3 h GLU 190 Ca -0.47 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.24 2jc3 h GLU 190 Cb 1.18 0.01 0.05 0.00 0.63 0.00 0.00 28.75 30.62 2jc3 h GLU 190 CO 0.70 0.07 0.81 0.21 -0.73 0.00 0.00 179.01 180.06 2jc3 s LYS 191 N -5.74 4.24 0.62 1.92 2.20 -1.26 -4.99 119.74 116.74 2jc3 s LYS 191 Ca -0.14 2.32 -0.17 0.00 -0.36 0.00 0.00 55.97 57.62 2jc3 s LYS 191 Cb 0.05 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.21 2jc3 s LYS 191 CO 0.66 -0.50 1.12 -2.14 -0.36 0.00 0.00 175.35 174.13 2jc3 s PRO 192 N 0.33 2.97 -0.10 4.03 0.02 -1.26 -4.97 135.00 136.03 2jc3 s PRO 192 Ca 0.64 1.49 -0.04 0.00 0.02 0.00 0.00 61.00 63.11 2jc3 s PRO 192 Cb -0.42 -1.96 0.05 0.00 0.02 0.00 0.00 34.50 32.18 2jc3 s PRO 192 CO 0.38 -1.13 0.22 0.08 -0.33 0.00 0.00 177.00 176.21 2jc3 s VAL 193 N -2.11 -0.19 -0.09 3.83 1.01 -1.26 -4.82 120.40 116.76 2jc3 s VAL 193 Ca 0.70 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.61 2jc3 s VAL 193 Cb -0.22 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 2jc3 s VAL 193 CO 0.36 0.10 0.98 -0.89 0.00 0.00 0.00 175.10 175.65 2jc3 s THR 194 N 1.77 4.81 -0.29 3.92 2.01 -0.38 -4.94 115.64 122.54 2jc3 s THR 194 Ca -0.04 1.99 -0.12 0.00 0.31 0.00 0.00 61.69 63.84 2jc3 s THR 194 Cb -0.11 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 2jc3 s THR 194 CO -0.08 0.04 0.22 -0.63 -0.69 0.00 0.00 174.62 173.48 2jc3 s ILE 195 N 1.83 5.29 -0.19 1.82 -1.09 -1.26 -1.03 121.20 126.57 2jc3 s ILE 195 Ca 0.48 0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 59.04 2jc3 s ILE 195 Cb -0.19 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 2jc3 s ILE 195 CO 0.19 0.20 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.28 2jc3 s VAL 196 N 1.79 2.70 0.02 2.92 1.01 0.13 -1.27 120.40 127.70 2jc3 s VAL 196 Ca 0.08 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2jc3 s VAL 196 Cb -0.16 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 2jc3 s VAL 196 CO 0.11 0.49 0.08 -0.83 0.00 0.00 0.00 175.10 174.94 2jc3 s GLY 197 N 1.26 2.01 0.00 4.51 0.00 0.15 -1.44 107.32 113.80 2jc3 s GLY 197 Ca 0.03 -0.91 0.08 0.00 0.00 0.00 0.00 44.72 43.92 2jc3 s GLY 197 CO -0.06 -0.82 -0.26 1.08 0.00 0.00 0.00 173.10 173.04 2jc3 s LEU 198 N -1.91 2.10 0.07 0.66 1.43 0.17 -0.79 118.68 120.42 2jc3 s LEU 198 Ca 0.24 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2jc3 s LEU 198 Cb -0.12 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 2jc3 s LEU 198 CO 0.16 0.30 -0.08 0.00 0.23 0.00 0.00 176.35 176.96 2jc3 s GLN 199 N -0.82 0.69 0.51 1.70 -2.07 -0.56 -1.43 119.66 117.67 2jc3 s GLN 199 Ca 0.11 -1.03 -0.21 0.00 -1.82 0.00 0.00 55.36 52.40 2jc3 s GLN 199 Cb -0.10 -0.29 -0.06 0.00 -1.09 0.00 0.00 33.01 31.47 2jc3 s GLN 199 CO 0.00 0.03 1.17 -1.25 -1.32 0.00 0.00 175.29 173.91 2jc3 s PRO 200 N -2.60 3.50 0.62 9.60 0.04 -1.26 -0.79 135.00 144.11 2jc3 s PRO 200 Ca 0.00 1.74 -0.18 0.00 0.04 0.00 0.00 61.00 62.61 2jc3 s PRO 200 Cb -0.03 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2jc3 s PRO 200 CO -0.02 -0.76 1.18 -2.00 0.04 0.00 0.00 177.00 175.44 2jc3 s GLU 201 N -2.99 2.87 0.25 4.56 2.12 0.02 -4.68 118.70 120.84 2jc3 s GLU 201 Ca 0.69 1.70 -0.31 0.00 0.36 0.00 0.00 54.97 57.40 2jc3 s GLU 201 Cb -0.28 -1.93 -0.13 0.00 0.26 0.00 0.00 34.13 32.05 2jc3 s GLU 201 CO 0.32 -1.26 1.46 0.39 -0.54 0.00 0.00 175.26 175.63 2jc3 n GLU 202 N -1.88 2.19 0.00 4.30 1.02 -1.26 -0.46 120.64 124.54 2jc3 n GLU 202 Ca 0.13 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 58.04 2jc3 n GLU 202 Cb 0.50 -2.47 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 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 2.22 3.08 3.79 0.62 0.00 -1.26 -5.02 105.19 108.62 2jc3 n GLY 203 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.53 7.00 -0.22 1.61 0.01 0.39 -5.03 113.70 116.94 2jc3 s SER 204 Ca 0.00 1.90 0.02 0.00 1.31 0.00 0.00 55.95 59.18 2jc3 s SER 204 Cb 0.00 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.69 2jc3 s SER 204 CO 0.00 -0.32 -0.16 -0.55 0.41 0.00 0.00 173.24 172.63 2jc3 s SER 205 N -1.70 3.71 -0.26 2.44 0.15 -1.26 -4.72 113.70 112.06 2jc3 s SER 205 Ca 0.56 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 56.22 2jc3 s SER 205 Cb -0.18 -1.49 0.08 0.00 -1.71 0.00 0.00 66.02 62.71 2jc3 s SER 205 CO 0.23 -0.09 0.02 -0.63 1.20 0.00 0.00 173.24 173.97 2jc3 s ILE 206 N 1.21 1.28 0.08 6.45 1.01 -1.26 -4.81 121.20 125.17 2jc3 s ILE 206 Ca -0.01 -1.30 -0.37 0.00 0.00 0.00 0.00 60.65 58.96 2jc3 s ILE 206 Cb -0.16 -1.75 -0.17 0.00 0.01 0.00 0.00 42.46 40.38 2jc3 s ILE 206 CO -0.09 -0.34 1.23 -2.65 0.00 0.00 0.00 174.94 173.09 2jc3 n PRO 207 N 4.73 0.83 0.00 2.79 -0.02 -1.26 -2.38 135.00 139.69 2jc3 n PRO 207 Ca -0.07 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2jc3 n PRO 207 Cb 0.44 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 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 2.18 3.35 3.44 -1.23 0.00 -1.26 -4.28 105.19 107.39 2jc3 n GLY 208 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 2jc3 n GLY 208 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jc3 s ILE 209 N -2.98 0.49 0.09 -0.61 -4.36 -1.00 -4.48 121.20 108.35 2jc3 s ILE 209 Ca 0.00 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.14 2jc3 s ILE 209 Cb 0.00 -2.44 0.07 0.00 1.25 0.00 0.00 42.46 41.34 2jc3 s ILE 209 CO 0.00 0.00 0.62 0.00 0.24 0.00 0.00 174.94 175.80 2jc3 s ARG 210 N -3.72 1.20 -0.35 0.37 1.70 -1.25 -4.67 118.95 112.23 2jc3 s ARG 210 Ca 0.30 -0.24 -0.25 0.00 -0.47 0.00 0.00 55.73 55.07 2jc3 s ARG 210 Cb 0.03 0.56 0.01 0.00 -0.57 0.00 0.00 34.95 34.98 2jc3 s ARG 210 CO 0.17 -0.48 0.88 0.50 -1.08 0.00 0.00 175.30 175.29 2jc3 s ARG 211 N -2.92 3.86 0.23 3.89 3.52 -1.26 -4.64 118.95 121.63 2jc3 s ARG 211 Ca -0.03 0.56 -0.28 0.00 -0.13 0.00 0.00 55.73 55.85 2jc3 s ARG 211 Cb -0.01 -3.79 -0.09 0.00 -1.56 0.00 0.00 34.95 29.51 2jc3 s ARG 211 CO -0.06 -0.88 0.90 -1.58 -0.81 0.00 0.00 175.30 172.88 2jc3 s TRP 212 N 3.32 3.94 0.17 5.12 0.52 -1.26 -4.99 118.94 125.76 2jc3 s TRP 212 Ca 0.36 1.83 -0.32 0.00 0.02 0.00 0.00 56.10 57.99 2jc3 s TRP 212 Cb -0.13 -2.92 -0.12 0.00 -1.15 0.00 0.00 33.47 29.15 2jc3 s TRP 212 CO 0.17 0.44 1.73 -2.30 0.02 0.00 0.00 176.95 177.02 2jc3 n PRO 213 N 1.40 2.67 -0.08 4.98 -0.02 -1.26 -4.82 135.00 137.87 2jc3 n PRO 213 Ca -0.02 0.96 0.01 0.00 -2.02 0.00 0.00 63.50 62.43 2jc3 n PRO 213 Cb 0.48 -2.81 0.02 0.00 -0.02 0.00 0.00 33.50 31.17 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 4.38 0.03 -1.57 3.55 0.00 -1.26 0.11 120.51 125.75 2jc3 n ALA 214 Ca 0.17 0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.71 2jc3 n ALA 214 Cb 0.34 -0.12 0.15 0.00 0.00 0.00 0.00 19.45 19.82 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 -4.33 2.28 -2.69 0.00 1.02 -1.26 -4.58 120.64 111.08 2jc3 n GLU 215 Ca 0.03 -3.41 -0.06 0.00 -0.02 0.00 0.00 57.16 53.70 2jc3 n GLU 215 Cb 0.10 -1.96 0.04 0.00 -0.02 0.00 0.00 31.44 29.60 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 -1.02 1.52 -1.18 -0.32 4.02 0.30 -5.11 117.16 115.37 2jc3 n TYR 216 Ca 0.39 -2.29 -0.31 0.00 -0.01 0.00 0.00 57.90 55.68 2jc3 n TYR 216 Cb 0.98 -0.26 0.10 0.00 -0.02 0.00 0.00 39.34 40.14 2jc3 n TYR 216 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 2jc3 s MET 217 N -3.66 2.03 0.74 -0.72 -1.94 -1.25 -4.47 119.30 110.02 2jc3 s MET 217 Ca 0.31 1.27 -0.15 0.00 -1.71 0.00 0.00 55.69 55.41 2jc3 s MET 217 Cb 0.36 -1.86 0.04 0.00 2.01 0.00 0.00 34.83 35.38 2jc3 s MET 217 CO -0.02 -1.83 1.22 -1.25 -0.01 0.00 0.00 175.02 173.13 2jc3 s PRO 218 N -4.78 2.05 0.30 2.03 0.04 -1.26 -4.89 135.00 128.49 2jc3 s PRO 218 Ca 0.63 1.81 0.06 0.00 0.04 0.00 0.00 61.00 63.54 2jc3 s PRO 218 Cb -0.19 -1.82 0.75 0.00 0.04 0.00 0.00 34.50 33.29 2jc3 s PRO 218 CO 0.55 -1.92 1.77 0.78 0.04 0.00 0.00 177.00 178.22 2jc3 h GLY 219 N -0.34 1.78 2.00 0.56 0.00 -1.81 -1.84 103.07 103.43 2jc3 h GLY 219 Ca -0.48 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.51 2jc3 h GLY 219 CO 0.49 -0.10 0.00 0.16 0.00 0.00 0.00 176.54 177.09 2jc3 h ILE 220 N 0.72 0.00 -3.77 2.60 3.07 -1.75 -3.46 117.51 114.92 2jc3 h ILE 220 Ca 0.58 -0.49 -0.53 0.00 1.55 0.00 0.00 64.86 65.98 2jc3 h ILE 220 Cb 0.94 1.48 0.08 0.00 -0.27 0.00 0.00 36.82 39.05 2jc3 h ILE 220 CO -0.40 0.00 0.71 0.12 -1.05 0.00 0.00 178.15 177.53 2jc3 s PHE 221 N -3.68 2.90 -0.29 0.16 2.19 -0.69 -5.01 117.98 113.57 2jc3 s PHE 221 Ca 0.01 1.24 -0.01 0.00 0.33 0.00 0.00 56.93 58.51 2jc3 s PHE 221 Cb 0.09 -3.82 0.09 0.00 -1.31 0.00 0.00 43.02 38.07 2jc3 s PHE 221 CO 0.53 -2.40 0.07 1.21 1.83 0.00 0.00 175.22 176.46 2jc3 s ASN 222 N -0.18 3.92 0.37 6.13 3.84 -1.26 -4.98 114.94 122.78 2jc3 s ASN 222 Ca 0.53 -1.52 0.16 0.00 0.21 0.00 0.00 52.86 52.23 2jc3 s ASN 222 Cb -0.42 -0.92 1.04 0.00 -0.55 0.00 0.00 41.25 40.40 2jc3 s ASN 222 CO 0.54 -0.38 1.74 0.00 -2.79 0.00 0.00 177.10 176.21 2jc3 h ALA 223 N 8.06 2.09 0.00 1.71 0.00 -1.95 0.51 119.26 129.68 2jc3 h ALA 223 Ca -0.14 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jc3 h ALA 223 Cb 1.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jc3 h ALA 223 CO 0.45 -0.54 0.00 0.66 0.00 0.00 0.00 179.25 179.82 2jc3 h SER 224 N 0.44 0.00 1.12 0.00 4.64 -2.03 -2.66 113.55 115.07 2jc3 h SER 224 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 2jc3 h SER 224 Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 2jc3 h SER 224 CO -0.38 0.00 -0.12 0.18 -0.87 0.00 0.00 176.83 175.64 2jc3 n LEU 225 N -2.36 0.45 -4.29 5.97 4.77 0.17 -4.74 117.00 116.97 2jc3 n LEU 225 Ca 0.01 0.45 -0.34 0.00 -0.03 0.00 0.00 56.01 56.10 2jc3 n LEU 225 Cb 0.20 -0.37 -0.14 0.00 -2.33 0.00 0.00 43.42 40.77 2jc3 n LEU 225 CO 0.19 -0.07 -0.43 -0.69 -1.33 0.00 0.00 177.39 175.06 2jc3 s VAL 226 N -3.06 3.02 0.01 4.08 1.01 -1.00 -4.78 120.40 119.68 2jc3 s VAL 226 Ca 0.11 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 2jc3 s VAL 226 Cb 0.16 -2.33 -0.27 0.00 0.00 0.00 0.00 36.38 33.94 2jc3 s VAL 226 CO 0.60 0.47 1.06 0.44 0.00 0.00 0.00 175.10 177.67 2jc3 h ASP 227 N 7.68 0.62 -4.65 3.32 3.32 -1.46 -3.47 116.42 121.78 2jc3 h ASP 227 Ca -0.38 -0.82 -0.19 0.00 0.02 0.00 0.00 57.03 55.66 2jc3 h ASP 227 Cb 1.17 -0.19 -0.23 0.00 0.22 0.00 0.00 39.33 40.30 2jc3 h ASP 227 CO 0.60 1.37 -0.71 -1.61 -1.72 0.00 0.00 179.24 177.17 2jc3 s GLU 228 N -2.99 0.24 -0.17 3.56 2.02 -0.70 -5.00 118.70 115.65 2jc3 s GLU 228 Ca -0.12 -0.46 0.01 0.00 0.02 0.00 0.00 54.97 54.42 2jc3 s GLU 228 Cb 0.04 0.07 0.03 0.00 0.10 0.00 0.00 34.13 34.36 2jc3 s GLU 228 CO 0.86 -0.03 -0.15 0.08 0.02 0.00 0.00 175.26 176.03 2jc3 s VAL 229 N -1.08 1.77 0.10 2.63 1.01 -1.26 0.29 120.40 123.87 2jc3 s VAL 229 Ca -0.12 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.08 2jc3 s VAL 229 Cb -0.07 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 2jc3 s VAL 229 CO -0.01 0.42 0.02 -0.76 0.00 0.00 0.00 175.10 174.78 2jc3 s LEU 230 N 1.39 3.53 -0.05 3.92 1.02 0.03 -4.97 118.68 123.56 2jc3 s LEU 230 Ca 0.03 -0.17 -0.13 0.00 0.02 0.00 0.00 54.13 53.89 2jc3 s LEU 230 Cb -0.14 -2.24 -0.05 0.00 0.02 0.00 0.00 46.19 43.78 2jc3 s LEU 230 CO -0.11 0.16 0.32 -1.81 0.02 0.00 0.00 176.35 174.93 2jc3 s ASP 231 N -2.44 6.65 -0.10 2.29 1.11 -1.26 -1.50 116.67 121.43 2jc3 s ASP 231 Ca 0.27 0.78 0.04 0.00 0.18 0.00 0.00 52.55 53.81 2jc3 s ASP 231 Cb -0.11 -2.19 0.00 0.00 1.07 0.00 0.00 42.92 41.68 2jc3 s ASP 231 CO 0.19 0.32 -0.22 -0.63 1.18 0.00 0.00 175.17 176.01 2jc3 s ILE 232 N -0.86 1.92 0.17 0.77 -1.09 0.03 -4.84 121.20 117.29 2jc3 s ILE 232 Ca 0.21 -0.93 -0.26 0.00 -2.23 0.00 0.00 60.65 57.43 2jc3 s ILE 232 Cb -0.15 -1.67 -0.08 0.00 -1.58 0.00 0.00 42.46 38.98 2jc3 s ILE 232 CO 0.10 0.53 0.81 -2.28 -1.23 0.00 0.00 174.94 172.87 2jc3 s HIS 233 N 0.44 3.91 0.26 3.97 5.65 -1.26 -0.80 115.29 127.46 2jc3 s HIS 233 Ca -0.17 1.68 -0.02 0.00 0.25 0.00 0.00 55.06 56.80 2jc3 s HIS 233 Cb -0.17 -2.82 0.56 0.00 -1.18 0.00 0.00 32.58 28.96 2jc3 s HIS 233 CO 0.07 0.48 1.67 0.37 -0.65 0.00 0.00 174.74 176.68 2jc3 h GLN 234 N 4.40 0.24 -0.75 2.88 4.15 -1.91 -0.96 115.11 123.15 2jc3 h GLN 234 Ca -0.46 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 58.88 2jc3 h GLN 234 Cb 1.21 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.81 2jc3 h GLN 234 CO 0.67 0.16 0.25 -0.97 -1.93 0.00 0.00 178.83 177.00 2jc3 h ASN 235 N 0.24 1.09 -0.12 -0.69 -0.73 -1.93 -0.44 115.58 113.01 2jc3 h ASN 235 Ca 0.47 -0.20 -0.10 0.00 1.87 0.00 0.00 56.30 58.33 2jc3 h ASN 235 Cb 0.86 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 39.15 2jc3 h ASN 235 CO -0.58 1.00 -0.26 -0.78 -0.37 0.00 0.00 177.43 176.45 2jc3 h ASP 236 N 1.12 0.57 -0.24 1.15 3.58 -1.61 -0.29 116.42 120.70 2jc3 h ASP 236 Ca 0.24 -0.20 -0.14 0.00 0.42 0.00 0.00 57.03 57.35 2jc3 h ASP 236 Cb 0.29 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 2jc3 h ASP 236 CO -0.01 0.82 -0.39 0.00 -2.88 0.00 0.00 179.24 176.77 2jc3 h ALA 237 N 1.23 0.37 -0.61 -0.78 0.00 -0.97 -1.72 119.26 116.78 2jc3 h ALA 237 Ca 0.07 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2jc3 h ALA 237 Cb 0.71 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2jc3 h ALA 237 CO 0.05 0.47 0.10 0.93 0.00 0.00 0.00 179.25 180.80 2jc3 h GLU 238 N 0.41 1.01 -0.38 0.00 5.08 -0.89 0.04 114.58 119.84 2jc3 h GLU 238 Ca 0.02 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 2jc3 h GLU 238 Cb 0.99 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2jc3 h GLU 238 CO 0.09 0.95 0.14 -0.91 -1.00 0.00 0.00 179.01 178.27 2jc3 h ASN 239 N 0.91 0.54 -0.08 1.42 2.35 -1.02 -0.81 115.58 118.91 2jc3 h ASN 239 Ca 0.18 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 2jc3 h ASN 239 Cb 0.43 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2jc3 h ASN 239 CO 0.01 0.58 -0.19 0.74 -1.65 0.00 0.00 177.43 176.93 2jc3 h THR 240 N 0.47 1.25 -0.07 2.81 2.02 -1.13 0.20 112.91 118.46 2jc3 h THR 240 Ca 0.13 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.18 2jc3 h THR 240 Cb 0.22 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2jc3 h THR 240 CO -0.01 0.36 0.04 -0.03 0.37 0.00 0.00 175.52 176.26 2jc3 h MET 241 N 0.42 0.09 -0.52 6.66 1.85 -0.55 0.04 114.93 122.93 2jc3 h MET 241 Ca 0.07 -0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 59.08 2jc3 h MET 241 Cb 0.57 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.56 2jc3 h MET 241 CO 0.04 0.06 0.01 0.00 -0.40 0.00 0.00 176.91 176.61 2jc3 h ARG 242 N 0.09 0.87 0.00 0.39 3.08 -0.61 -2.73 114.38 115.46 2jc3 h ARG 242 Ca 0.03 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.76 2jc3 h ARG 242 Cb -0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2jc3 h ARG 242 CO -0.01 0.86 -0.35 1.49 -1.07 0.00 0.00 179.97 180.89 2jc3 h GLU 243 N 0.80 0.00 -0.60 0.04 4.81 -0.65 -1.96 114.58 117.03 2jc3 h GLU 243 Ca 0.15 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 2jc3 h GLU 243 Cb 0.47 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2jc3 h GLU 243 CO 0.02 0.35 0.08 -0.07 -0.73 0.00 0.00 179.01 178.66 2jc3 h LEU 244 N 0.00 0.97 -0.18 1.64 3.38 -0.68 0.16 115.31 120.60 2jc3 h LEU 244 Ca -0.00 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 2jc3 h LEU 244 Cb 0.64 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2jc3 h LEU 244 CO 0.05 1.00 -0.11 0.00 0.09 0.00 0.00 178.44 179.46 2jc3 h ALA 245 N 1.01 0.25 -0.06 1.53 0.00 -1.06 -0.09 119.26 120.84 2jc3 h ALA 245 Ca 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2jc3 h ALA 245 Cb 0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jc3 h ALA 245 CO 0.02 0.10 -0.02 0.28 0.00 0.00 0.00 179.25 179.63 2jc3 h VAL 246 N 0.06 1.29 0.00 0.00 2.07 -1.31 -1.89 116.25 116.48 2jc3 h VAL 246 Ca 0.04 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.63 2jc3 h VAL 246 Cb 0.61 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2jc3 h VAL 246 CO 0.03 0.25 -1.18 0.54 0.02 0.00 0.00 177.57 177.24 2jc3 n ARG 247 N -4.82 0.40 0.00 1.57 1.74 0.57 -4.47 116.66 111.65 2jc3 n ARG 247 Ca -0.07 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2jc3 n ARG 247 Cb 0.22 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 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 -2.13 1.75 -0.93 5.56 -0.58 -0.18 -4.70 120.64 119.43 2jc3 n GLU 248 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2jc3 n GLU 248 Cb 0.48 -0.87 0.00 0.00 -0.57 0.00 0.00 31.44 30.47 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 2.11 0.47 3.38 0.62 0.00 -0.40 -4.98 105.19 106.38 2jc3 n GLY 249 Ca 0.00 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.00 4.61 -0.45 -0.61 1.01 -0.81 -4.92 121.20 118.02 2jc3 s ILE 250 Ca 0.00 -0.86 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 2jc3 s ILE 250 Cb 0.00 -3.58 0.05 0.00 0.01 0.00 0.00 42.46 38.94 2jc3 s ILE 250 CO 0.00 -0.25 0.42 0.12 0.00 0.00 0.00 174.94 175.24 2jc3 s PHE 251 N 1.56 3.20 0.33 3.97 5.99 -1.26 -2.10 117.98 129.66 2jc3 s PHE 251 Ca 0.02 -0.68 0.06 0.00 0.00 0.00 0.00 56.93 56.34 2jc3 s PHE 251 Cb -0.19 -3.05 -0.03 0.00 0.00 0.00 0.00 43.02 39.75 2jc3 s PHE 251 CO 0.07 -0.77 0.29 0.00 -0.00 0.00 0.00 175.22 174.81 2jc3 n GLY 253 N -0.61 -0.45 0.14 0.00 0.00 -1.10 -3.94 105.19 99.23 2jc3 n GLY 253 Ca 0.07 -1.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.13 2jc3 n GLY 253 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jc3 h VAL 254 N -1.19 1.10 0.00 1.61 2.07 -1.90 -2.08 116.25 115.86 2jc3 h VAL 254 Ca -0.37 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 2jc3 h VAL 254 Cb 1.17 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2jc3 h VAL 254 CO 0.32 0.10 -0.09 0.77 0.02 0.00 0.00 177.57 178.69 2jc3 h SER 255 N 0.36 0.00 0.22 0.57 4.64 -1.91 -0.07 113.55 117.35 2jc3 h SER 255 Ca 0.10 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.26 2jc3 h SER 255 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2jc3 h SER 255 CO -0.02 0.09 -0.63 0.28 -0.87 0.00 0.00 176.83 175.68 2jc3 h SER 256 N 0.00 0.46 -0.35 4.97 0.02 -1.70 -0.21 113.55 116.74 2jc3 h SER 256 Ca -0.00 -0.27 -0.14 0.00 -0.84 0.00 0.00 61.79 60.54 2jc3 h SER 256 Cb 0.20 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2jc3 h SER 256 CO 0.01 0.97 -0.33 1.23 -1.14 0.00 0.00 176.83 177.58 2jc3 h GLY 257 N 1.27 0.92 1.38 -3.77 0.00 -0.47 -1.44 103.07 100.95 2jc3 h GLY 257 Ca -0.01 -0.93 -0.02 0.00 0.00 0.00 0.00 47.33 46.37 2jc3 h GLY 257 CO 0.11 0.84 0.29 -1.33 0.00 0.00 0.00 176.54 176.45 2jc3 h GLY 258 N 0.64 0.87 0.81 4.60 0.00 -0.84 0.14 103.07 109.29 2jc3 h GLY 258 Ca 0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 2jc3 h GLY 258 CO 0.08 0.38 -0.00 0.00 0.00 0.00 0.00 176.54 177.00 2jc3 h ALA 259 N 1.51 0.26 -0.21 3.60 0.00 -0.71 -0.69 119.26 123.01 2jc3 h ALA 259 Ca 0.20 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2jc3 h ALA 259 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2jc3 h ALA 259 CO -0.03 -0.02 -0.21 0.28 0.00 0.00 0.00 179.25 179.26 2jc3 h VAL 260 N 0.10 1.24 -0.66 0.00 2.07 -0.93 -0.40 116.25 117.67 2jc3 h VAL 260 Ca 0.05 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 2jc3 h VAL 260 Cb 0.39 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2jc3 h VAL 260 CO 0.01 0.35 0.33 0.00 0.02 0.00 0.00 177.57 178.28 2jc3 h ALA 261 N 1.43 0.85 -0.51 1.67 0.00 -0.44 0.21 119.26 122.47 2jc3 h ALA 261 Ca 0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2jc3 h ALA 261 Cb 0.57 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2jc3 h ALA 261 CO 0.04 0.40 0.07 0.78 0.00 0.00 0.00 179.25 180.54 2jc3 h GLY 262 N 0.91 0.92 1.79 0.00 0.00 -0.64 -2.22 103.07 103.84 2jc3 h GLY 262 Ca 0.23 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 2jc3 h GLY 262 CO -0.03 0.58 -0.13 0.00 0.00 0.00 0.00 176.54 176.96 2jc3 h ALA 263 N 0.97 1.49 -0.40 3.60 0.00 -0.63 -1.77 119.26 122.52 2jc3 h ALA 263 Ca 0.15 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2jc3 h ALA 263 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2jc3 h ALA 263 CO 0.01 0.36 -0.17 -0.07 0.00 0.00 0.00 179.25 179.38 2jc3 h LEU 264 N 0.24 0.85 -0.52 0.00 3.38 -0.67 0.14 115.31 118.72 2jc3 h LEU 264 Ca 0.05 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.64 2jc3 h LEU 264 Cb 0.38 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2jc3 h LEU 264 CO 0.02 1.05 0.33 0.03 0.09 0.00 0.00 178.44 179.97 2jc3 h ARG 265 N 0.64 0.66 -0.15 1.13 3.08 -0.88 0.13 114.38 118.98 2jc3 h ARG 265 Ca 0.09 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2jc3 h ARG 265 Cb 0.72 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2jc3 h ARG 265 CO 0.05 0.43 0.06 0.28 -1.07 0.00 0.00 179.97 179.73 2jc3 h VAL 266 N 0.68 1.15 -0.71 2.04 2.07 -1.13 -1.79 116.25 118.55 2jc3 h VAL 266 Ca 0.20 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.29 2jc3 h VAL 266 Cb -0.04 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2jc3 h VAL 266 CO -0.06 0.14 0.45 0.00 0.02 0.00 0.00 177.57 178.12 2jc3 h ALA 267 N 0.91 0.91 -0.59 1.67 0.00 -0.42 -1.75 119.26 119.99 2jc3 h ALA 267 Ca 0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2jc3 h ALA 267 Cb 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2jc3 h ALA 267 CO -0.00 0.26 0.04 0.00 0.00 0.00 0.00 179.25 179.55 2jc3 h ARG 268 N 0.90 0.99 -0.00 0.00 3.08 -0.84 -2.81 114.38 115.70 2jc3 h ARG 268 Ca 0.27 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2jc3 h ARG 268 Cb -0.04 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.90 2jc3 h ARG 268 CO -0.09 0.95 -0.03 0.00 -1.07 0.00 0.00 179.97 179.73 2jc3 n ALA 269 N -2.47 2.46 -3.45 0.04 0.00 -0.69 -4.56 120.51 111.83 2jc3 n ALA 269 Ca 0.03 -0.13 -0.28 0.00 0.00 0.00 0.00 53.44 53.06 2jc3 n ALA 269 Cb 0.31 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.86 0.10 0.29 0.00 2.01 -0.69 -5.08 115.64 109.41 2jc3 s THR 270 Ca 0.18 -1.68 -0.28 0.00 0.31 0.00 0.00 61.69 60.22 2jc3 s THR 270 Cb 0.19 -1.08 -0.14 0.00 0.01 0.00 0.00 72.50 71.49 2jc3 s THR 270 CO 0.52 -0.97 1.10 -2.65 -0.69 0.00 0.00 174.62 171.93 2jc3 n PRO 271 N 4.02 1.55 -0.77 4.92 -0.02 -1.26 -1.48 135.00 141.97 2jc3 n PRO 271 Ca 0.13 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2jc3 n PRO 271 Cb 0.38 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 1.19 1.45 3.77 -1.23 0.00 -0.94 -4.84 105.19 104.60 2jc3 n GLY 272 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.76 3.49 -0.68 4.61 0.00 -0.55 -4.71 121.76 120.17 2jc3 s ALA 273 Ca 0.00 1.32 -0.08 0.00 0.00 0.00 0.00 51.96 53.19 2jc3 s ALA 273 Cb 0.00 -3.50 0.18 0.00 0.00 0.00 0.00 23.12 19.79 2jc3 s ALA 273 CO 0.00 -0.74 0.55 0.42 0.00 0.00 0.00 175.76 176.00 2jc3 s ILE 274 N -1.15 4.52 -0.07 0.00 -1.09 -1.26 -0.93 121.20 121.23 2jc3 s ILE 274 Ca 0.50 -2.58 -0.19 0.00 -2.23 0.00 0.00 60.65 56.15 2jc3 s ILE 274 Cb -0.41 -3.88 -0.05 0.00 -1.58 0.00 0.00 42.46 36.54 2jc3 s ILE 274 CO 0.54 -0.92 0.51 -0.69 -1.23 0.00 0.00 174.94 173.16 2jc3 s VAL 275 N 0.25 5.08 -0.13 2.92 1.01 0.09 -1.40 120.40 128.22 2jc3 s VAL 275 Ca 0.15 1.05 0.01 0.00 0.00 0.00 0.00 61.98 63.19 2jc3 s VAL 275 Cb -0.17 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 2jc3 s VAL 275 CO -0.05 0.38 -0.15 -0.69 0.00 0.00 0.00 175.10 174.59 2jc3 s VAL 276 N 0.17 2.79 0.07 2.92 1.01 -0.50 -0.12 120.40 126.74 2jc3 s VAL 276 Ca 0.28 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.59 2jc3 s VAL 276 Cb -0.16 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2jc3 s VAL 276 CO 0.13 0.53 -0.22 0.00 0.00 0.00 0.00 175.10 175.54 2jc3 s ALA 277 N 0.50 1.89 -0.18 5.51 0.00 -0.11 -0.27 121.76 129.09 2jc3 s ALA 277 Ca -0.10 -1.18 -0.23 0.00 0.00 0.00 0.00 51.96 50.45 2jc3 s ALA 277 Cb -0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 2jc3 s ALA 277 CO 0.04 0.41 0.73 0.42 0.00 0.00 0.00 175.76 177.37 2jc3 s ILE 278 N -0.94 4.95 -0.43 0.00 -1.09 -0.99 -0.94 121.20 121.75 2jc3 s ILE 278 Ca 0.08 1.41 -0.16 0.00 -2.23 0.00 0.00 60.65 59.75 2jc3 s ILE 278 Cb -0.09 -4.04 0.03 0.00 -1.58 0.00 0.00 42.46 36.78 2jc3 s ILE 278 CO 0.03 0.07 0.39 -0.63 -1.23 0.00 0.00 174.94 173.58 2jc3 s ILE 279 N 1.99 5.17 0.23 2.92 -1.09 0.05 -4.75 121.20 125.71 2jc3 s ILE 279 Ca 0.34 -0.62 -0.04 0.00 -2.23 0.00 0.00 60.65 58.10 2jc3 s ILE 279 Cb -0.16 -4.04 0.07 0.00 -1.58 0.00 0.00 42.46 36.75 2jc3 s ILE 279 CO 0.12 -0.44 1.68 0.00 -1.23 0.00 0.00 174.94 175.07 2jc3 s ASP 281 N -6.70 -0.20 0.77 0.00 3.84 -1.26 -0.82 116.67 112.30 2jc3 s ASP 281 Ca -0.09 -0.72 -0.11 0.00 -0.00 0.00 0.00 52.55 51.63 2jc3 s ASP 281 Cb 0.14 0.75 0.07 0.00 -1.38 0.00 0.00 42.92 42.50 2jc3 s ASP 281 CO 0.83 -1.41 1.13 -0.13 -0.00 0.00 0.00 175.17 175.58 2jc3 s ARG 282 N -3.60 2.13 0.27 2.11 0.52 -1.20 -2.73 118.95 116.45 2jc3 s ARG 282 Ca 0.12 0.06 0.25 0.00 -0.52 0.00 0.00 55.73 55.64 2jc3 s ARG 282 Cb -0.06 -2.01 0.63 0.00 0.52 0.00 0.00 34.95 34.03 2jc3 s ARG 282 CO 0.08 -1.44 1.69 0.78 0.02 0.00 0.00 175.30 176.43 2jc3 h GLY 283 N -0.90 0.00 -0.99 -3.53 0.00 -1.52 -3.29 103.07 92.86 2jc3 h GLY 283 Ca -0.46 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.01 2jc3 h GLY 283 CO 0.64 0.00 -0.45 -0.55 0.00 0.00 0.00 176.54 176.18 2jc3 h ASP 284 N 0.00 -1.67 0.00 0.19 3.32 -1.90 0.42 116.42 116.78 2jc3 h ASP 284 Ca 0.00 0.32 0.00 0.00 0.02 0.00 0.00 57.03 57.37 2jc3 h ASP 284 Cb 0.82 0.82 0.00 0.00 0.22 0.00 0.00 39.33 41.19 2jc3 h ASP 284 CO 0.00 -0.27 0.00 0.54 -1.72 0.00 0.00 179.24 177.79 2jc3 n ARG 285 N -5.40 0.56 -0.01 3.56 1.74 -1.26 -2.33 116.66 113.52 2jc3 n ARG 285 Ca 0.07 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.25 2jc3 n ARG 285 Cb 0.36 -1.39 -0.14 0.00 -1.02 0.00 0.00 32.46 30.27 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 -0.89 0.00 -0.20 -1.55 4.01 0.15 -4.59 117.16 114.08 2jc3 n TYR 286 Ca 0.10 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.85 2jc3 n TYR 286 Cb 0.05 -0.32 0.09 0.00 -0.31 0.00 0.00 39.34 38.85 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 -0.32 -0.66 7.72 3.38 -1.41 -0.24 115.31 123.79 2jc3 h LEU 287 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2jc3 h LEU 287 Cb 0.76 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2jc3 h LEU 287 CO 0.00 -0.13 0.00 -1.54 0.09 0.00 0.00 178.44 176.86 2jc3 n SER 288 N -5.30 0.32 -0.52 -0.43 3.41 -1.26 -1.42 113.62 108.41 2jc3 n SER 288 Ca 0.09 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.45 2jc3 n SER 288 Cb 0.35 -0.68 0.33 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.90 0.00 0.00 6.66 -2.24 -0.10 -4.95 114.28 111.74 2jc3 n THR 289 Ca 0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2jc3 n THR 289 Cb 0.07 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 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 1.29 2.67 0.31 3.38 0.00 -0.51 -4.86 105.19 107.47 2jc3 n GLY 290 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.81 -2.95 116.25 111.59 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 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 29.82 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 -2.78 0.00 -1.63 5.19 3.01 -1.26 -4.80 117.46 115.18 2jc3 n PHE 292 Ca -0.02 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.29 2jc3 n PHE 292 Cb 0.30 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.69 2jc3 n PHE 292 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2jc3 s GLY 293 N 0.00 -0.87 0.00 1.37 0.00 -1.26 -5.16 107.32 101.40 2jc3 s GLY 293 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.54 2jc3 s GLY 293 CO 0.00 4.19 0.00 -2.21 0.00 0.00 0.00 173.10 175.08