#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jcl s MET 1 N 0.00 4.33 0.17 1.57 -2.45 -1.26 -5.05 119.30 116.62 1jcl s MET 1 Ca 0.00 1.57 0.02 0.00 -1.25 0.00 0.00 55.69 56.03 1jcl s MET 1 Cb 0.00 -2.74 -0.05 0.00 1.25 0.00 0.00 34.83 33.29 1jcl s MET 1 CO 0.00 -0.00 -0.00 0.95 1.05 0.00 0.00 175.02 177.01 1jcl s THR 2 N -1.52 0.73 0.24 10.11 -4.23 -1.26 -5.05 115.64 114.66 1jcl s THR 2 Ca 0.53 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.00 1jcl s THR 2 Cb -0.24 -2.11 0.22 0.00 1.34 0.00 0.00 72.50 71.70 1jcl s THR 2 CO 0.31 -0.48 1.88 0.44 -0.54 0.00 0.00 174.62 176.22 1jcl h ASP 3 N 2.69 0.94 -0.38 3.99 3.45 -1.99 -0.94 116.42 124.18 1jcl h ASP 3 Ca -0.37 -0.00 -0.14 0.00 0.43 0.00 0.00 57.03 56.95 1jcl h ASP 3 Cb 1.20 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.76 1jcl h ASP 3 CO 0.63 0.64 -0.32 0.25 -1.57 0.00 0.00 179.24 178.86 1jcl h LEU 4 N 1.10 0.93 -0.42 1.55 5.85 -1.98 -0.30 115.31 122.03 1jcl h LEU 4 Ca 0.36 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1jcl h LEU 4 Cb 0.05 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1jcl h LEU 4 CO -0.13 1.19 0.20 0.11 -0.34 0.00 0.00 178.44 179.47 1jcl h LYS 5 N 0.69 0.61 -0.27 1.25 1.57 -1.80 -0.57 116.57 118.05 1jcl h LYS 5 Ca 0.07 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1jcl h LYS 5 Cb 0.90 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1jcl h LYS 5 CO 0.08 0.53 0.12 0.00 -0.57 0.00 0.00 179.45 179.61 1jcl h ALA 6 N 1.05 0.36 -0.60 3.86 0.00 -0.92 -1.93 119.26 121.08 1jcl h ALA 6 Ca 0.14 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1jcl h ALA 6 Cb 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1jcl h ALA 6 CO -0.02 -0.07 0.09 0.66 0.00 0.00 0.00 179.25 179.92 1jcl h SER 7 N 0.30 0.93 -0.35 0.00 4.64 -0.96 -2.68 113.55 115.44 1jcl h SER 7 Ca 0.09 -0.21 -0.11 0.00 -0.47 0.00 0.00 61.79 61.10 1jcl h SER 7 Cb 0.15 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1jcl h SER 7 CO -0.01 0.93 -0.17 0.28 -0.87 0.00 0.00 176.83 176.99 1jcl h SER 8 N 0.92 0.82 -0.35 4.97 0.02 -0.81 -0.08 113.55 119.04 1jcl h SER 8 Ca 0.19 -0.28 -0.14 0.00 -0.84 0.00 0.00 61.79 60.72 1jcl h SER 8 Cb 0.41 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1jcl h SER 8 CO 0.01 0.99 -0.31 0.25 -1.14 0.00 0.00 176.83 176.63 1jcl h LEU 9 N 0.73 0.92 -0.25 5.07 5.85 -1.29 -1.35 115.31 124.98 1jcl h LEU 9 Ca 0.11 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 1jcl h LEU 9 Cb 0.68 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1jcl h LEU 9 CO 0.05 1.16 0.15 0.03 -0.34 0.00 0.00 178.44 179.48 1jcl h ARG 10 N 0.74 0.34 -0.86 1.25 3.08 -1.23 -2.34 114.38 115.37 1jcl h ARG 10 Ca 0.08 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1jcl h ARG 10 Cb 0.88 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.82 1jcl h ARG 10 CO 0.08 0.28 0.44 0.00 -1.07 0.00 0.00 179.97 179.71 1jcl h ALA 11 N 1.04 1.17 -0.11 0.04 0.00 -0.87 -1.80 119.26 118.73 1jcl h ALA 11 Ca 0.09 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1jcl h ALA 11 Cb 0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1jcl h ALA 11 CO -0.02 0.65 -0.03 1.25 0.00 0.00 0.00 179.25 181.10 1jcl h LEU 12 N 1.21 -0.12 -0.76 0.00 6.46 -1.04 -2.01 115.31 119.05 1jcl h LEU 12 Ca 0.30 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 58.09 1jcl h LEU 12 Cb 0.07 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1jcl h LEU 12 CO -0.04 -0.05 0.00 0.29 -0.62 0.00 0.00 178.44 178.02 1jcl n LYS 13 N -5.16 0.19 -0.22 1.25 5.02 -0.90 -2.02 118.16 116.32 1jcl n LYS 13 Ca -0.04 0.44 0.10 0.00 -2.02 0.00 0.00 58.31 56.79 1jcl n LYS 13 Cb 0.09 -1.88 0.22 0.00 -0.02 0.00 0.00 35.03 33.43 1jcl n LYS 13 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jcl n LEU 14 N -2.25 3.39 -4.75 -0.35 4.77 -0.72 -2.94 117.00 114.16 1jcl n LEU 14 Ca 0.02 -1.66 -0.40 0.00 -0.03 0.00 0.00 56.01 53.94 1jcl n LEU 14 Cb 0.22 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 1jcl n LEU 14 CO 0.19 0.77 0.67 -0.32 -1.33 0.00 0.00 177.39 177.37 1jcl s MET 15 N -1.25 4.81 -0.81 3.23 1.75 -0.81 -1.35 119.30 124.87 1jcl s MET 15 Ca 0.37 1.51 -0.16 0.00 -1.25 0.00 0.00 55.69 56.16 1jcl s MET 15 Cb 0.21 -3.29 0.18 0.00 2.84 0.00 0.00 34.83 34.77 1jcl s MET 15 CO 0.28 0.44 0.84 -0.51 -0.65 0.00 0.00 175.02 175.42 1jcl s ASP 16 N -0.95 6.63 -0.10 1.11 1.11 0.34 -1.52 116.67 123.30 1jcl s ASP 16 Ca 0.42 -2.33 -0.30 0.00 0.18 0.00 0.00 52.55 50.53 1jcl s ASP 16 Cb -0.26 -2.27 -0.04 0.00 1.07 0.00 0.00 42.92 41.42 1jcl s ASP 16 CO 0.32 -0.78 1.45 -0.22 1.18 0.00 0.00 175.17 177.12 1jcl s LEU 17 N 1.20 4.26 0.05 1.23 2.96 -0.38 -2.80 118.68 125.20 1jcl s LEU 17 Ca 0.20 1.97 0.09 0.00 -0.22 0.00 0.00 54.13 56.17 1jcl s LEU 17 Cb -0.11 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 1jcl s LEU 17 CO -0.07 -0.83 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.01 1jcl s THR 18 N 3.63 2.41 -0.04 3.68 2.01 -0.39 -0.66 115.64 126.28 1jcl s THR 18 Ca 0.64 -1.34 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 1jcl s THR 18 Cb -0.28 -1.98 0.03 0.00 0.01 0.00 0.00 72.50 70.28 1jcl s THR 18 CO 0.22 0.33 0.05 0.28 -0.69 0.00 0.00 174.62 174.82 1jcl s THR 19 N -0.88 -0.10 -0.41 -0.82 -1.32 -0.55 -4.12 115.64 107.45 1jcl s THR 19 Ca 0.13 0.40 0.06 0.00 -1.21 0.00 0.00 61.69 61.06 1jcl s THR 19 Cb -0.10 -0.14 0.20 0.00 -1.51 0.00 0.00 72.50 70.95 1jcl s THR 19 CO 0.04 0.17 0.43 0.18 -2.21 0.00 0.00 174.62 173.22 1jcl n LEU 20 N 5.13 -0.37 -4.27 9.08 4.77 -1.26 -4.16 117.00 125.93 1jcl n LEU 20 Ca -0.07 -4.43 -0.22 0.00 -0.03 0.00 0.00 56.01 51.26 1jcl n LEU 20 Cb 0.50 0.60 -0.12 0.00 -2.33 0.00 0.00 43.42 42.07 1jcl n LEU 20 CO 0.08 1.95 -0.49 0.20 -1.33 0.00 0.00 177.39 177.80 1jcl s ASN 21 N -0.43 2.34 0.48 -1.43 0.01 -1.26 -5.03 114.94 109.63 1jcl s ASN 21 Ca 0.34 -0.72 0.14 0.00 -0.71 0.00 0.00 52.86 51.91 1jcl s ASN 21 Cb 0.09 -0.12 1.15 0.00 0.41 0.00 0.00 41.25 42.78 1jcl s ASN 21 CO -0.16 -0.00 2.10 0.44 -1.51 0.00 0.00 177.10 177.97 1jcl h ASP 22 N 3.92 0.16 -0.44 -1.22 3.32 -2.07 -1.88 116.42 118.21 1jcl h ASP 22 Ca -0.44 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1jcl h ASP 22 Cb 1.19 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1jcl h ASP 22 CO 0.43 0.11 0.00 -0.90 -1.72 0.00 0.00 179.24 177.16 1jcl n ASP 23 N -4.51 3.01 -4.74 6.45 5.75 -1.26 -4.97 116.55 116.29 1jcl n ASP 23 Ca 0.00 -2.19 -0.36 0.00 -0.01 0.00 0.00 54.79 52.24 1jcl n ASP 23 Cb 0.14 -0.41 0.05 0.00 -1.03 0.00 0.00 41.12 39.87 1jcl n ASP 23 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1jcl s ASP 24 N -0.84 4.89 0.20 -1.12 1.01 -0.71 -5.02 116.67 115.08 1jcl s ASP 24 Ca 0.33 2.48 0.00 0.00 0.71 0.00 0.00 52.55 56.07 1jcl s ASP 24 Cb 0.20 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 1jcl s ASP 24 CO 0.18 -1.80 0.09 0.42 0.21 0.00 0.00 175.17 174.27 1jcl s THR 25 N -1.55 0.28 0.24 -1.27 -4.23 -1.26 -5.02 115.64 102.83 1jcl s THR 25 Ca 0.79 -1.98 -0.05 0.00 -1.18 0.00 0.00 61.69 59.27 1jcl s THR 25 Cb -0.33 -2.42 0.20 0.00 1.34 0.00 0.00 72.50 71.29 1jcl s THR 25 CO 0.37 -0.14 1.78 0.44 -0.54 0.00 0.00 174.62 176.53 1jcl h ASP 26 N 2.59 0.52 -0.68 3.99 3.32 -1.99 -1.34 116.42 122.84 1jcl h ASP 26 Ca -0.37 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 1jcl h ASP 26 Cb 1.23 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 1jcl h ASP 26 CO 0.58 0.28 0.41 -0.33 -1.72 0.00 0.00 179.24 178.46 1jcl h GLU 27 N 0.65 0.93 -0.52 3.56 3.07 -1.99 0.69 114.58 120.98 1jcl h GLU 27 Ca 0.39 -0.08 -0.10 0.00 -0.50 0.00 0.00 59.36 59.07 1jcl h GLU 27 Cb 0.44 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 1jcl h GLU 27 CO -0.29 0.66 -0.06 0.87 -1.40 0.00 0.00 179.01 178.79 1jcl h LYS 28 N 0.93 0.92 -0.37 2.33 1.57 -1.78 -1.47 116.57 118.71 1jcl h LYS 28 Ca 0.25 -0.30 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1jcl h LYS 28 Cb -0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1jcl h LYS 28 CO -0.05 0.95 -0.16 0.28 -0.57 0.00 0.00 179.45 179.91 1jcl h VAL 29 N 0.84 1.28 -0.43 0.50 2.07 -0.68 -1.63 116.25 118.20 1jcl h VAL 29 Ca 0.14 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.42 1jcl h VAL 29 Cb 0.58 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1jcl h VAL 29 CO 0.04 0.42 0.21 0.40 0.02 0.00 0.00 177.57 178.65 1jcl h ILE 30 N 0.54 0.96 -0.94 4.57 2.04 -0.75 -0.92 117.51 123.01 1jcl h ILE 30 Ca 0.08 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.84 1jcl h ILE 30 Cb 0.70 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 1jcl h ILE 30 CO 0.05 0.08 0.61 0.00 0.00 0.00 0.00 178.15 178.89 1jcl h ALA 31 N 1.23 1.25 -0.59 1.87 0.00 -1.14 -1.91 119.26 119.97 1jcl h ALA 31 Ca 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1jcl h ALA 31 Cb 0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1jcl h ALA 31 CO -0.13 0.49 0.31 1.25 0.00 0.00 0.00 179.25 181.16 1jcl h LEU 32 N 1.19 0.75 -0.83 0.00 5.85 -0.63 -1.01 115.31 120.64 1jcl h LEU 32 Ca 0.38 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 59.01 1jcl h LEU 32 Cb 0.01 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1jcl h LEU 32 CO -0.12 0.64 0.54 0.00 -0.34 0.00 0.00 178.44 179.16 1jcl h HIS 34 N 1.10 1.13 -0.06 0.00 3.86 -0.80 -2.68 115.15 117.69 1jcl h HIS 34 Ca 0.31 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1jcl h HIS 34 Cb -0.09 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.04 1jcl h HIS 34 CO -0.02 0.89 -0.10 1.96 0.86 0.00 0.00 177.93 181.53 1jcl h GLN 35 N 1.05 0.09 0.00 2.45 4.20 -0.50 -2.63 115.11 119.77 1jcl h GLN 35 Ca 0.23 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1jcl h GLN 35 Cb 0.29 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1jcl h GLN 35 CO -0.01 0.20 0.00 0.00 -0.67 0.00 0.00 178.83 178.35 1jcl h ALA 36 N 1.82 1.00 -2.29 3.87 0.00 -0.95 -3.37 119.26 119.34 1jcl h ALA 36 Ca 0.02 0.00 -0.74 0.00 0.00 0.00 0.00 54.91 54.19 1jcl h ALA 36 Cb 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.80 1jcl h ALA 36 CO 0.01 0.00 0.27 0.21 0.00 0.00 0.00 179.25 179.75 1jcl s LYS 37 N -3.66 3.41 0.32 0.00 2.20 -0.99 -1.58 119.74 119.43 1jcl s LYS 37 Ca 0.01 -1.92 0.07 0.00 -0.36 0.00 0.00 55.97 53.77 1jcl s LYS 37 Cb 0.09 -4.50 -0.02 0.00 -1.51 0.00 0.00 37.83 31.89 1jcl s LYS 37 CO 0.52 -1.49 0.36 0.95 -0.36 0.00 0.00 175.35 175.33 1jcl s THR 38 N 1.61 3.97 0.09 3.43 -4.23 -0.54 -5.00 115.64 114.97 1jcl s THR 38 Ca 0.19 -1.20 0.32 0.00 -1.18 0.00 0.00 61.69 59.82 1jcl s THR 38 Cb -0.14 -3.35 0.33 0.00 1.34 0.00 0.00 72.50 70.69 1jcl s THR 38 CO -0.04 -0.20 1.97 -0.65 -0.54 0.00 0.00 174.62 175.16 1jcl h PRO 39 N 1.13 0.00 -0.20 3.99 0.11 -1.95 -2.44 132.00 132.63 1jcl h PRO 39 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jcl h PRO 39 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1jcl h PRO 39 CO 0.57 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.69 1jcl n VAL 40 N -2.69 0.39 0.00 3.15 0.24 -1.26 -5.09 118.33 113.07 1jcl n VAL 40 Ca -0.01 -0.69 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 1jcl n VAL 40 Cb 0.14 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 1jcl n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jcl n GLY 41 N 0.91 1.83 3.92 7.63 0.00 -0.92 -5.07 105.19 113.48 1jcl n GLY 41 Ca 0.12 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 1jcl n GLY 41 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jcl s ASN 42 N 0.00 6.36 0.96 1.61 0.02 -1.26 -1.46 114.94 121.16 1jcl s ASN 42 Ca 0.00 0.27 -0.11 0.00 -1.02 0.00 0.00 52.86 52.00 1jcl s ASN 42 Cb 0.00 -1.96 0.17 0.00 0.02 0.00 0.00 41.25 39.48 1jcl s ASN 42 CO 0.00 0.16 1.09 0.42 0.02 0.00 0.00 177.10 178.79 1jcl s THR 43 N -1.53 2.41 0.21 1.60 -4.23 -0.61 -4.39 115.64 109.09 1jcl s THR 43 Ca 0.35 0.13 -0.06 0.00 -1.18 0.00 0.00 61.69 60.94 1jcl s THR 43 Cb -0.13 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.36 1jcl s THR 43 CO 0.28 -0.17 1.66 0.00 -0.54 0.00 0.00 174.62 175.85 1jcl h ALA 44 N -1.85 0.90 -2.97 3.99 0.00 -1.15 -3.45 119.26 114.73 1jcl h ALA 44 Ca -0.50 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.10 1jcl h ALA 44 Cb 1.29 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1jcl h ALA 44 CO 0.50 0.63 0.16 0.00 0.00 0.00 0.00 179.25 180.55 1jcl s ALA 45 N -4.85 -0.89 0.29 0.00 0.00 -0.76 -1.96 121.76 113.59 1jcl s ALA 45 Ca -0.10 -0.53 0.10 0.00 0.00 0.00 0.00 51.96 51.43 1jcl s ALA 45 Cb 0.14 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 24.08 1jcl s ALA 45 CO 0.84 -0.99 -0.08 0.96 0.00 0.00 0.00 175.76 176.49 1jcl s ILE 46 N -3.63 2.90 -0.06 0.00 -4.36 -0.11 -1.25 121.20 114.69 1jcl s ILE 46 Ca 0.15 -2.12 -0.02 0.00 -0.26 0.00 0.00 60.65 58.40 1jcl s ILE 46 Cb -0.05 -2.62 0.03 0.00 1.25 0.00 0.00 42.46 41.07 1jcl s ILE 46 CO 0.09 -0.35 0.03 0.00 0.24 0.00 0.00 174.94 174.95 1jcl s ILE 48 N 2.05 0.11 0.61 0.00 -4.36 -0.90 -1.48 121.20 117.24 1jcl s ILE 48 Ca 0.05 -1.83 -0.18 0.00 -0.26 0.00 0.00 60.65 58.43 1jcl s ILE 48 Cb -0.12 -1.95 -0.02 0.00 1.25 0.00 0.00 42.46 41.61 1jcl s ILE 48 CO -0.04 -0.51 1.19 -0.31 0.24 0.00 0.00 174.94 175.50 1jcl s TYR 49 N -4.02 2.41 0.32 1.37 4.12 -1.26 -4.06 117.35 116.22 1jcl s TYR 49 Ca 0.21 1.53 0.04 0.00 0.02 0.00 0.00 57.07 58.88 1jcl s TYR 49 Cb 0.07 -3.42 0.65 0.00 -1.52 0.00 0.00 41.96 37.74 1jcl s TYR 49 CO 0.00 -2.12 1.87 -1.35 0.02 0.00 0.00 175.55 173.97 1jcl h PRO 50 N 0.67 0.86 0.00 -1.71 0.11 -1.94 -1.47 132.00 128.52 1jcl h PRO 50 Ca -0.50 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 1jcl h PRO 50 Cb 1.29 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1jcl h PRO 50 CO 0.54 0.57 -0.00 0.07 -0.21 0.00 0.00 178.00 178.97 1jcl h ARG 51 N 0.88 0.00 -0.02 1.05 0.11 -1.98 -1.42 114.38 113.00 1jcl h ARG 51 Ca 0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.53 1jcl h ARG 51 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 1jcl h ARG 51 CO -0.21 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.05 1jcl n PHE 52 N -3.22 0.00 -0.02 4.08 3.01 -0.55 -4.46 117.46 116.31 1jcl n PHE 52 Ca -0.03 -0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.32 1jcl n PHE 52 Cb 0.08 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.50 1jcl n PHE 52 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1jcl h ILE 53 N 2.81 1.06 -0.55 4.37 2.04 -1.36 -1.65 117.51 124.24 1jcl h ILE 53 Ca 0.00 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1jcl h ILE 53 Cb 0.60 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1jcl h ILE 53 CO 0.00 0.06 0.35 -0.65 0.00 0.00 0.00 178.15 177.90 1jcl h PRO 54 N 0.14 0.73 -0.15 2.37 0.11 -1.78 0.32 132.00 133.74 1jcl h PRO 54 Ca 0.04 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 1jcl h PRO 54 Cb 0.03 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 1jcl h PRO 54 CO -0.01 0.51 -0.48 0.97 -0.21 0.00 0.00 178.00 178.78 1jcl h ILE 55 N 0.74 1.33 -0.50 4.15 6.09 -1.84 -2.22 117.51 125.25 1jcl h ILE 55 Ca 0.20 -1.69 -0.03 0.00 -1.37 0.00 0.00 64.86 61.97 1jcl h ILE 55 Cb -0.05 1.73 -0.02 0.00 0.47 0.00 0.00 36.82 38.95 1jcl h ILE 55 CO -0.04 0.51 0.18 0.00 -3.07 0.00 0.00 178.15 175.74 1jcl h ALA 56 N 1.19 0.66 -0.53 0.18 0.00 -0.84 -1.44 119.26 118.47 1jcl h ALA 56 Ca 0.02 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1jcl h ALA 56 Cb 0.95 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1jcl h ALA 56 CO 0.08 0.28 0.32 -0.09 0.00 0.00 0.00 179.25 179.84 1jcl h ARG 57 N 0.68 0.61 -0.44 0.00 9.65 -0.72 -0.20 114.38 123.96 1jcl h ARG 57 Ca 0.17 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1jcl h ARG 57 Cb 0.23 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 1jcl h ARG 57 CO -0.01 0.40 0.29 -0.22 2.80 0.00 0.00 179.97 183.23 1jcl h LYS 58 N 0.63 0.57 -0.23 0.20 3.64 -1.22 -1.63 116.57 118.52 1jcl h LYS 58 Ca 0.21 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1jcl h LYS 58 Cb 0.02 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1jcl h LYS 58 CO -0.09 0.38 0.05 1.15 -2.27 0.00 0.00 179.45 178.66 1jcl h THR 59 N 0.59 1.22 -0.91 1.00 2.02 -0.76 -0.83 112.91 115.23 1jcl h THR 59 Ca 0.16 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1jcl h THR 59 Cb -0.06 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1jcl h THR 59 CO -0.04 0.22 0.58 -0.07 0.37 0.00 0.00 175.52 176.58 1jcl h LEU 60 N 0.20 1.07 -0.42 2.58 3.38 -0.97 -2.12 115.31 119.02 1jcl h LEU 60 Ca 0.07 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1jcl h LEU 60 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1jcl h LEU 60 CO 0.00 0.80 -0.03 0.50 0.09 0.00 0.00 178.44 179.80 1jcl h LYS 61 N 1.25 0.76 0.00 1.13 3.64 -1.05 -0.77 116.57 121.53 1jcl h LYS 61 Ca 0.33 -0.26 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1jcl h LYS 61 Cb -0.10 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1jcl h LYS 61 CO -0.07 0.85 -0.37 0.93 -2.27 0.00 0.00 179.45 178.53 1jcl h GLU 62 N 0.59 0.00 -0.43 1.90 5.08 -0.82 -1.41 114.58 119.50 1jcl h GLU 62 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1jcl h GLU 62 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1jcl h GLU 62 CO 0.03 0.37 0.00 0.00 -1.00 0.00 0.00 179.01 178.41 1jcl n GLN 63 N -3.75 2.04 -1.66 2.33 10.64 -0.83 -4.92 117.38 121.23 1jcl n GLN 63 Ca -0.01 -1.61 -0.03 0.00 -1.83 0.00 0.00 57.00 53.51 1jcl n GLN 63 Cb 0.45 -1.36 -0.01 0.00 -0.86 0.00 0.00 30.24 28.46 1jcl n GLN 63 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jcl n GLY 64 N 1.23 0.40 2.67 2.61 0.00 -0.53 -4.96 105.19 106.61 1jcl n GLY 64 Ca 0.15 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 1jcl n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jcl n THR 65 N -3.54 1.94 0.40 2.61 -2.24 -0.31 -4.89 114.28 108.24 1jcl n THR 65 Ca -0.04 -5.21 0.11 0.00 -2.27 0.00 0.00 64.05 56.64 1jcl n THR 65 Cb 0.35 -0.99 0.47 0.00 -2.10 0.00 0.00 70.33 68.06 1jcl n THR 65 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1jcl n PRO 66 N -0.07 0.16 0.00 -0.78 -0.04 -1.24 -2.32 135.00 130.71 1jcl n PRO 66 Ca 0.29 0.41 0.14 0.00 -0.04 0.00 0.00 63.50 64.30 1jcl n PRO 66 Cb 0.49 -1.82 0.57 0.00 -0.04 0.00 0.00 33.50 32.70 1jcl n PRO 66 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1jcl n GLU 67 N -2.13 0.09 -2.23 0.54 0.00 -1.26 -4.72 120.64 110.93 1jcl n GLU 67 Ca 0.02 -0.01 -0.42 0.00 0.00 0.00 0.00 57.16 56.74 1jcl n GLU 67 Cb 0.21 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.12 1jcl n GLU 67 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1jcl s ILE 68 N -2.92 3.81 0.55 3.84 1.01 -0.98 -4.94 121.20 121.57 1jcl s ILE 68 Ca 0.16 1.12 -0.16 0.00 0.00 0.00 0.00 60.65 61.77 1jcl s ILE 68 Cb 0.19 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 1jcl s ILE 68 CO 0.55 -0.04 1.01 -0.13 0.00 0.00 0.00 174.94 176.33 1jcl s ARG 69 N 2.90 3.70 -0.30 2.79 0.52 -0.83 -4.86 118.95 122.87 1jcl s ARG 69 Ca 0.64 1.04 -0.04 0.00 -0.52 0.00 0.00 55.73 56.84 1jcl s ARG 69 Cb -0.30 -2.09 0.04 0.00 0.52 0.00 0.00 34.95 33.12 1jcl s ARG 69 CO 0.25 -0.49 0.03 0.42 0.02 0.00 0.00 175.30 175.54 1jcl s ILE 70 N -2.59 3.35 0.18 1.52 1.01 -1.26 -0.94 121.20 122.47 1jcl s ILE 70 Ca 0.60 -1.16 0.04 0.00 0.00 0.00 0.00 60.65 60.13 1jcl s ILE 70 Cb -0.12 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 1jcl s ILE 70 CO 0.34 -0.06 0.28 0.00 0.00 0.00 0.00 174.94 175.50 1jcl s ALA 71 N 1.34 3.88 0.35 9.38 0.00 0.40 -0.55 121.76 136.56 1jcl s ALA 71 Ca -0.02 -1.14 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 1jcl s ALA 71 Cb -0.19 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.25 1jcl s ALA 71 CO 0.00 0.43 0.45 -2.37 0.00 0.00 0.00 175.76 174.28 1jcl n THR 72 N -0.80 0.00 -4.52 0.00 5.66 -0.68 -2.11 114.28 111.84 1jcl n THR 72 Ca -0.08 -1.88 -0.24 0.00 -3.05 0.00 0.00 64.05 58.80 1jcl n THR 72 Cb 0.55 1.11 -0.14 0.00 -1.55 0.00 0.00 70.33 70.31 1jcl n THR 72 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1jcl s VAL 73 N -2.90 1.52 0.08 1.08 -7.23 -1.26 -0.36 120.40 111.33 1jcl s VAL 73 Ca 0.31 -1.18 -0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1jcl s VAL 73 Cb -0.01 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1jcl s VAL 73 CO 0.22 0.12 -0.02 0.42 -0.31 0.00 0.00 175.10 175.53 1jcl s THR 74 N -0.86 0.30 -1.46 5.32 -4.23 -0.66 -4.68 115.64 109.38 1jcl s THR 74 Ca 0.06 -1.85 -0.03 0.00 -1.18 0.00 0.00 61.69 58.68 1jcl s THR 74 Cb -0.09 -1.66 0.01 0.00 1.34 0.00 0.00 72.50 72.11 1jcl s THR 74 CO 0.02 -0.87 0.28 -3.20 -0.54 0.00 0.00 174.62 170.31 1jcl n ASN 75 N 0.04 -5.14 -4.35 3.99 5.15 -1.26 -1.81 115.26 111.88 1jcl n ASN 75 Ca -0.12 -0.12 -0.31 0.00 -0.60 0.00 0.00 54.58 53.44 1jcl n ASN 75 Cb 0.61 -4.25 -0.15 0.00 -0.53 0.00 0.00 39.78 35.47 1jcl n ASN 75 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1jcl s PHE 76 N -2.97 2.36 -2.18 1.20 5.36 -1.26 -1.46 117.98 119.02 1jcl s PHE 76 Ca 0.17 -0.40 0.27 0.00 -0.96 0.00 0.00 56.93 56.01 1jcl s PHE 76 Cb -0.08 -1.44 0.92 0.00 -0.34 0.00 0.00 43.02 42.08 1jcl s PHE 76 CO 0.21 0.08 1.67 -0.35 -1.46 0.00 0.00 175.22 175.36 1jcl n PRO 77 N 2.00 1.32 0.23 10.12 -0.04 -1.26 -4.93 135.00 142.44 1jcl n PRO 77 Ca -0.17 -0.77 0.11 0.00 -0.04 0.00 0.00 63.50 62.64 1jcl n PRO 77 Cb 0.52 -1.48 0.41 0.00 -0.04 0.00 0.00 33.50 32.90 1jcl n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jcl h HIS 78 N 1.88 0.00 -5.11 0.54 3.86 -1.96 -3.48 115.15 110.88 1jcl h HIS 78 Ca 0.00 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.88 1jcl h HIS 78 Cb 0.51 0.00 0.12 0.00 1.06 0.00 0.00 27.41 29.10 1jcl h HIS 78 CO 0.00 0.15 -0.59 0.41 0.86 0.00 0.00 177.93 178.77 1jcl n GLY 79 N 0.44 -0.31 3.66 2.45 0.00 -0.54 -4.89 105.19 106.00 1jcl n GLY 79 Ca 0.01 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1jcl n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jcl s ASN 80 N -3.37 2.79 -0.30 1.61 0.01 -1.26 -4.04 114.94 110.39 1jcl s ASN 80 Ca 0.44 1.61 0.11 0.00 -0.71 0.00 0.00 52.86 54.31 1jcl s ASN 80 Cb -0.20 -2.26 0.70 0.00 0.41 0.00 0.00 41.25 39.90 1jcl s ASN 80 CO 0.62 -3.08 1.72 -0.90 -1.51 0.00 0.00 177.10 173.95 1jcl n ASP 81 N -4.18 4.52 -4.43 -1.22 5.68 -1.26 -4.53 116.55 111.13 1jcl n ASP 81 Ca 0.07 -3.24 -0.44 0.00 -0.50 0.00 0.00 54.79 50.68 1jcl n ASP 81 Cb 0.54 -0.71 -0.05 0.00 -1.14 0.00 0.00 41.12 39.77 1jcl n ASP 81 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1jcl s ASP 82 N -1.31 6.21 0.20 -1.12 -1.08 -1.26 -4.92 116.67 113.39 1jcl s ASP 82 Ca 0.52 -1.05 -0.08 0.00 -0.52 0.00 0.00 52.55 51.42 1jcl s ASP 82 Cb 0.42 -2.34 0.12 0.00 -1.46 0.00 0.00 42.92 39.67 1jcl s ASP 82 CO 0.12 -1.13 1.73 0.40 0.52 0.00 0.00 175.17 176.81 1jcl h ILE 83 N 5.93 1.26 -0.99 4.11 2.04 -1.96 -2.22 117.51 125.68 1jcl h ILE 83 Ca -0.28 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 64.67 1jcl h ILE 83 Cb 1.08 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 1jcl h ILE 83 CO 1.07 0.37 0.65 0.44 0.00 0.00 0.00 178.15 180.68 1jcl h ASP 84 N 1.10 1.09 -0.21 1.72 3.32 -1.99 0.52 116.42 121.97 1jcl h ASP 84 Ca 0.23 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 1jcl h ASP 84 Cb 0.34 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1jcl h ASP 84 CO -0.00 0.76 -0.22 0.40 -1.72 0.00 0.00 179.24 178.46 1jcl h ILE 85 N 1.27 1.33 -0.76 0.35 2.04 -1.94 -0.94 117.51 118.86 1jcl h ILE 85 Ca 0.39 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 1jcl h ILE 85 Cb -0.04 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1jcl h ILE 85 CO -0.11 0.42 0.41 0.00 0.00 0.00 0.00 178.15 178.87 1jcl h ALA 86 N 0.65 0.97 -0.45 1.87 0.00 -1.11 -1.16 119.26 120.04 1jcl h ALA 86 Ca 0.03 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1jcl h ALA 86 Cb 0.77 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1jcl h ALA 86 CO 0.05 0.49 0.01 1.25 0.00 0.00 0.00 179.25 181.06 1jcl h LEU 87 N 1.05 0.76 -0.57 0.00 5.85 -0.87 -1.15 115.31 120.38 1jcl h LEU 87 Ca 0.27 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1jcl h LEU 87 Cb 0.04 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1jcl h LEU 87 CO -0.04 0.87 0.32 0.00 -0.34 0.00 0.00 178.44 179.25 1jcl h ALA 88 N 0.92 0.74 -0.67 1.25 0.00 -0.82 0.11 119.26 120.78 1jcl h ALA 88 Ca 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1jcl h ALA 88 Cb 0.48 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1jcl h ALA 88 CO 0.02 0.00 0.30 0.93 0.00 0.00 0.00 179.25 180.51 1jcl h GLU 89 N 0.61 0.98 -0.36 0.00 5.08 -1.10 -0.43 114.58 119.36 1jcl h GLU 89 Ca 0.24 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1jcl h GLU 89 Cb 0.10 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1jcl h GLU 89 CO -0.14 0.79 0.15 1.15 -1.00 0.00 0.00 179.01 179.96 1jcl h THR 90 N 0.94 1.19 -0.88 1.13 2.02 -0.71 0.19 112.91 116.78 1jcl h THR 90 Ca 0.23 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1jcl h THR 90 Cb 0.15 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 1jcl h THR 90 CO -0.03 0.20 0.52 0.03 0.37 0.00 0.00 175.52 176.61 1jcl h ARG 91 N 0.44 1.20 -0.55 6.66 3.08 -0.57 -1.13 114.38 123.51 1jcl h ARG 91 Ca 0.12 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 1jcl h ARG 91 Cb 0.18 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1jcl h ARG 91 CO -0.01 0.85 0.03 0.00 -1.07 0.00 0.00 179.97 179.77 1jcl h ALA 92 N 1.35 0.73 -0.77 0.04 0.00 -0.73 -0.94 119.26 118.95 1jcl h ALA 92 Ca 0.31 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1jcl h ALA 92 Cb -0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1jcl h ALA 92 CO -0.06 0.53 0.50 0.00 0.00 0.00 0.00 179.25 180.22 1jcl h ALA 93 N 0.97 0.99 -0.34 0.00 0.00 -0.46 0.20 119.26 120.61 1jcl h ALA 93 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jcl h ALA 93 Cb 0.50 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1jcl h ALA 93 CO 0.02 0.34 0.22 0.82 0.00 0.00 0.00 179.25 180.66 1jcl h ILE 94 N 1.00 1.09 -0.36 0.00 2.04 -1.02 -1.46 117.51 118.80 1jcl h ILE 94 Ca 0.29 -0.18 -0.07 0.00 1.00 0.00 0.00 64.86 65.91 1jcl h ILE 94 Cb -0.05 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1jcl h ILE 94 CO -0.09 0.09 -0.07 0.00 0.00 0.00 0.00 178.15 178.09 1jcl h ALA 95 N 1.12 1.22 0.00 1.87 0.00 -0.40 -1.55 119.26 121.52 1jcl h ALA 95 Ca 0.13 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1jcl h ALA 95 Cb -0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1jcl h ALA 95 CO -0.03 0.51 -0.16 1.88 0.00 0.00 0.00 179.25 181.46 1jcl h TYR 96 N 0.56 0.00 0.00 0.00 0.99 -0.81 -3.46 116.97 114.25 1jcl h TYR 96 Ca 0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 1jcl h TYR 96 Cb 0.46 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.19 1jcl h TYR 96 CO 0.02 0.16 0.00 0.41 -0.00 0.00 0.00 178.16 178.74 1jcl n GLY 97 N -0.81 1.71 3.68 3.88 0.00 -0.58 -4.34 105.19 108.72 1jcl n GLY 97 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1jcl n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcl n ALA 98 N 0.00 0.92 0.01 4.61 0.00 -0.58 -4.92 120.51 120.56 1jcl n ALA 98 Ca 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.53 1jcl n ALA 98 Cb 0.00 -2.22 -0.12 0.00 0.00 0.00 0.00 19.45 17.10 1jcl n ALA 98 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1jcl h ASP 99 N 1.46 0.00 -4.49 0.00 3.32 -1.17 -3.45 116.42 112.09 1jcl h ASP 99 Ca -0.48 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.41 1jcl h ASP 99 Cb 1.32 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.64 1jcl h ASP 99 CO 0.57 0.94 -0.49 -1.61 -1.72 0.00 0.00 179.24 176.93 1jcl s GLU 100 N -2.67 0.37 -0.08 3.56 2.02 -0.93 -2.21 118.70 118.75 1jcl s GLU 100 Ca -0.03 -0.13 0.03 0.00 0.02 0.00 0.00 54.97 54.86 1jcl s GLU 100 Cb 0.09 0.16 0.01 0.00 0.10 0.00 0.00 34.13 34.49 1jcl s GLU 100 CO 0.82 -0.08 -0.17 0.08 0.02 0.00 0.00 175.26 175.93 1jcl s VAL 101 N -0.77 1.54 -0.42 2.63 1.01 -0.12 -1.68 120.40 122.57 1jcl s VAL 101 Ca -0.09 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 1jcl s VAL 101 Cb -0.05 -1.37 0.08 0.00 0.00 0.00 0.00 36.38 35.05 1jcl s VAL 101 CO 0.01 0.44 0.27 -1.81 0.00 0.00 0.00 175.10 174.01 1jcl s ASP 102 N 0.59 5.65 -0.07 3.32 1.11 0.52 -0.42 116.67 127.37 1jcl s ASP 102 Ca -0.15 -1.54 -0.05 0.00 0.18 0.00 0.00 52.55 50.99 1jcl s ASP 102 Cb -0.16 -1.99 -0.04 0.00 1.07 0.00 0.00 42.92 41.79 1jcl s ASP 102 CO 0.05 -0.55 0.17 0.54 1.18 0.00 0.00 175.17 176.55 1jcl s VAL 103 N 1.42 5.47 -0.19 -1.27 0.11 -0.14 -1.65 120.40 124.14 1jcl s VAL 103 Ca 0.03 0.06 -0.22 0.00 -2.93 0.00 0.00 61.98 58.92 1jcl s VAL 103 Cb -0.23 -3.47 -0.02 0.00 -1.53 0.00 0.00 36.38 31.13 1jcl s VAL 103 CO 0.02 0.49 0.70 -0.69 -3.33 0.00 0.00 175.10 172.28 1jcl s VAL 104 N -1.16 4.97 0.57 2.04 1.01 -0.75 -0.55 120.40 126.54 1jcl s VAL 104 Ca 0.21 1.34 -0.21 0.00 0.00 0.00 0.00 61.98 63.32 1jcl s VAL 104 Cb -0.12 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1jcl s VAL 104 CO 0.11 0.08 1.32 0.12 0.00 0.00 0.00 175.10 176.74 1jcl s PHE 105 N 1.97 2.26 -1.35 5.22 5.36 0.12 -4.63 117.98 126.93 1jcl s PHE 105 Ca 0.32 1.42 -0.16 0.00 -0.96 0.00 0.00 56.93 57.54 1jcl s PHE 105 Cb -0.16 -3.74 0.06 0.00 -0.34 0.00 0.00 43.02 38.85 1jcl s PHE 105 CO 0.11 -2.81 1.89 -0.35 -1.46 0.00 0.00 175.22 172.60 1jcl n PRO 106 N -1.28 3.10 0.06 10.12 -0.04 -1.26 -4.59 135.00 141.10 1jcl n PRO 106 Ca 0.12 -3.08 -0.06 0.00 -0.04 0.00 0.00 63.50 60.44 1jcl n PRO 106 Cb 0.46 -3.41 0.11 0.00 -0.04 0.00 0.00 33.50 30.62 1jcl n PRO 106 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1jcl h TYR 107 N 7.03 0.44 -0.53 0.54 -0.00 -1.86 -2.51 116.97 120.08 1jcl h TYR 107 Ca 0.48 -0.16 -0.08 0.00 0.00 0.00 0.00 58.73 58.98 1jcl h TYR 107 Cb 0.79 -0.08 -0.02 0.00 0.00 0.00 0.00 36.73 37.42 1jcl h TYR 107 CO 1.43 0.82 0.01 0.00 -0.00 0.00 0.00 178.16 180.42 1jcl h ARG 108 N 0.27 0.90 -0.67 0.10 3.08 -1.85 -0.92 114.38 115.27 1jcl h ARG 108 Ca 0.00 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1jcl h ARG 108 Cb 1.06 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 1jcl h ARG 108 CO 0.09 0.89 0.37 0.00 -1.07 0.00 0.00 179.97 180.25 1jcl h ALA 109 N 1.17 0.86 -0.65 0.04 0.00 -1.80 -1.45 119.26 117.44 1jcl h ALA 109 Ca 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1jcl h ALA 109 Cb 0.48 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1jcl h ALA 109 CO 0.02 0.38 0.38 1.25 0.00 0.00 0.00 179.25 181.28 1jcl h LEU 110 N 0.92 0.78 -1.96 0.00 5.85 -1.05 -0.41 115.31 119.45 1jcl h LEU 110 Ca 0.24 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1jcl h LEU 110 Cb 0.04 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1jcl h LEU 110 CO -0.04 0.62 -0.06 0.24 -0.34 0.00 0.00 178.44 178.86 1jcl h MET 111 N 0.88 0.00 -0.45 1.25 2.86 -0.78 0.07 114.93 118.75 1jcl h MET 111 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1jcl h MET 111 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1jcl h MET 111 CO -0.04 0.06 0.00 0.00 1.06 0.00 0.00 176.91 177.99 1jcl n ALA 112 N -2.48 2.57 -0.25 6.32 0.00 -0.58 -4.92 120.51 121.18 1jcl n ALA 112 Ca -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1jcl n ALA 112 Cb 0.15 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1jcl n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jcl n GLY 113 N 0.97 0.75 3.29 0.00 0.00 0.01 -5.04 105.19 105.18 1jcl n GLY 113 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 1jcl n GLY 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jcl s ASN 114 N -2.49 6.13 0.21 1.61 3.84 -0.22 -4.88 114.94 119.14 1jcl s ASN 114 Ca 0.00 -1.86 0.14 0.00 0.21 0.00 0.00 52.86 51.35 1jcl s ASN 114 Cb 0.00 -2.17 -0.02 0.00 -0.55 0.00 0.00 41.25 38.51 1jcl s ASN 114 CO 0.00 -0.82 1.28 -0.33 -2.79 0.00 0.00 177.10 174.44 1jcl h GLU 115 N 8.75 0.00 -0.34 0.43 5.08 -1.87 -3.17 114.58 123.47 1jcl h GLU 115 Ca -0.26 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.93 1jcl h GLU 115 Cb 1.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1jcl h GLU 115 CO 0.99 0.52 -0.45 0.37 -1.00 0.00 0.00 179.01 179.45 1jcl h GLN 116 N 0.00 0.90 -0.57 2.33 5.75 -1.97 -3.03 115.11 118.52 1jcl h GLN 116 Ca -0.04 -0.52 -0.06 0.00 -0.15 0.00 0.00 58.65 57.88 1jcl h GLN 116 Cb 1.49 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 30.05 1jcl h GLN 116 CO 0.07 1.16 0.11 -0.24 -2.65 0.00 0.00 178.83 177.28 1jcl h VAL 117 N 0.71 1.24 -0.65 2.39 3.04 -1.98 -0.01 116.25 120.99 1jcl h VAL 117 Ca 0.04 -0.90 -0.07 0.00 -1.01 0.00 0.00 66.70 64.75 1jcl h VAL 117 Cb 1.05 0.68 -0.03 0.00 -2.01 0.00 0.00 31.29 30.98 1jcl h VAL 117 CO 0.11 0.33 0.11 1.23 -1.01 0.00 0.00 177.57 178.34 1jcl h GLY 118 N 1.00 1.15 0.84 3.17 0.00 -1.76 0.63 103.07 108.10 1jcl h GLY 118 Ca 0.18 -0.76 0.01 0.00 0.00 0.00 0.00 47.33 46.77 1jcl h GLY 118 CO 0.00 0.70 -0.06 -2.75 0.00 0.00 0.00 176.54 174.44 1jcl h PHE 119 N 0.98 -0.15 -0.49 5.60 3.57 -1.29 -1.58 116.94 123.59 1jcl h PHE 119 Ca 0.20 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 1jcl h PHE 119 Cb 0.42 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1jcl h PHE 119 CO 0.03 -0.09 -0.06 -0.44 -2.23 0.00 0.00 178.31 175.52 1jcl h ASP 120 N -0.10 0.84 0.13 0.41 3.32 -0.76 -0.35 116.42 119.91 1jcl h ASP 120 Ca 0.03 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 1jcl h ASP 120 Cb 0.14 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1jcl h ASP 120 CO -0.07 0.94 -0.06 0.25 -1.72 0.00 0.00 179.24 178.58 1jcl h LEU 121 N 0.78 -0.14 -0.81 1.55 6.46 -0.78 -1.33 115.31 121.04 1jcl h LEU 121 Ca 0.14 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.65 1jcl h LEU 121 Cb 0.55 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.48 1jcl h LEU 121 CO 0.03 0.15 0.41 0.58 -0.62 0.00 0.00 178.44 178.99 1jcl h VAL 122 N -0.45 1.25 -0.50 1.05 2.07 -1.19 -2.28 116.25 116.20 1jcl h VAL 122 Ca -0.02 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1jcl h VAL 122 Cb 0.36 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1jcl h VAL 122 CO 0.03 0.29 0.13 0.50 0.02 0.00 0.00 177.57 178.53 1jcl h LYS 123 N 1.13 0.80 -0.55 1.57 3.64 -1.00 0.16 116.57 122.33 1jcl h LYS 123 Ca 0.28 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1jcl h LYS 123 Cb 0.08 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1jcl h LYS 123 CO -0.04 0.77 0.34 0.00 -2.27 0.00 0.00 179.45 178.25 1jcl h ALA 124 N 1.00 0.71 -0.40 5.00 0.00 -1.04 -0.85 119.26 123.67 1jcl h ALA 124 Ca 0.16 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1jcl h ALA 124 Cb 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1jcl h ALA 124 CO 0.00 0.18 -0.27 0.00 0.00 0.00 0.00 179.25 179.17 1jcl h LYS 126 N 0.73 1.09 -0.61 0.00 1.63 -0.45 -1.02 116.57 117.94 1jcl h LYS 126 Ca 0.09 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1jcl h LYS 126 Cb 0.81 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 32.18 1jcl h LYS 126 CO 0.07 0.74 0.39 0.93 -3.45 0.00 0.00 179.45 178.13 1jcl h GLU 127 N 1.11 0.82 -0.20 1.90 5.08 -1.00 0.21 114.58 122.51 1jcl h GLU 127 Ca 0.30 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1jcl h GLU 127 Cb -0.10 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1jcl h GLU 127 CO -0.06 0.56 0.04 0.00 -1.00 0.00 0.00 179.01 178.55 1jcl h ALA 128 N 1.21 0.26 -0.30 3.43 0.00 -1.29 -2.39 119.26 120.17 1jcl h ALA 128 Ca 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1jcl h ALA 128 Cb -0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1jcl h ALA 128 CO -0.04 -0.08 0.12 0.00 0.00 0.00 0.00 179.25 179.25 1jcl h ALA 130 N 0.96 1.49 0.00 0.00 0.00 -0.56 -0.29 119.26 120.87 1jcl h ALA 130 Ca 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1jcl h ALA 130 Cb 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jcl h ALA 130 CO -0.01 0.45 -0.15 0.00 0.00 0.00 0.00 179.25 179.55 1jcl h ALA 131 N 1.53 1.32 -0.52 0.00 0.00 -1.25 -2.33 119.26 118.01 1jcl h ALA 131 Ca 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jcl h ALA 131 Cb -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1jcl h ALA 131 CO -0.08 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1jcl n ALA 132 N -2.31 2.37 -3.68 0.00 0.00 -0.44 -4.97 120.51 111.48 1jcl n ALA 132 Ca -0.02 -1.13 -0.25 0.00 0.00 0.00 0.00 53.44 52.04 1jcl n ALA 132 Cb 0.26 -0.82 0.06 0.00 0.00 0.00 0.00 19.45 18.95 1jcl n ALA 132 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jcl n ASN 133 N 1.42 -4.75 -4.43 0.00 3.02 -0.74 -5.00 115.26 104.78 1jcl n ASN 133 Ca 0.20 -0.65 -0.33 0.00 -0.03 0.00 0.00 54.58 53.77 1jcl n ASN 133 Cb 0.58 -4.60 -0.13 0.00 -0.61 0.00 0.00 39.78 35.02 1jcl n ASN 133 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jcl s VAL 134 N -3.36 3.36 0.33 2.41 1.01 -0.25 -4.98 120.40 118.92 1jcl s VAL 134 Ca 0.47 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 1jcl s VAL 134 Cb -0.22 -2.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.65 1jcl s VAL 134 CO 0.77 0.53 1.04 -0.76 0.00 0.00 0.00 175.10 176.67 1jcl s LEU 135 N 0.18 4.38 -0.21 3.92 1.43 -0.94 -3.98 118.68 123.46 1jcl s LEU 135 Ca -0.06 2.08 -0.03 0.00 -1.03 0.00 0.00 54.13 55.10 1jcl s LEU 135 Cb -0.15 -3.89 -0.00 0.00 0.03 0.00 0.00 46.19 42.18 1jcl s LEU 135 CO 0.04 -0.23 -0.07 -0.22 0.23 0.00 0.00 176.35 176.10 1jcl s LEU 136 N -1.96 2.74 -0.01 1.79 2.96 -1.26 -0.95 118.68 121.99 1jcl s LEU 136 Ca 0.50 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1jcl s LEU 136 Cb -0.26 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1jcl s LEU 136 CO 0.32 -0.01 0.12 -0.54 -1.32 0.00 0.00 176.35 174.92 1jcl s LYS 137 N 1.42 3.20 -0.17 1.98 1.02 0.44 -0.60 119.74 127.03 1jcl s LYS 137 Ca 0.05 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 55.63 1jcl s LYS 137 Cb -0.14 -2.95 0.01 0.00 -0.52 0.00 0.00 37.83 34.23 1jcl s LYS 137 CO -0.05 0.66 -0.18 0.08 -0.92 0.00 0.00 175.35 174.94 1jcl s VAL 138 N -1.23 2.28 -0.33 3.17 1.01 -0.27 -0.97 120.40 124.06 1jcl s VAL 138 Ca 0.24 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 1jcl s VAL 138 Cb -0.12 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1jcl s VAL 138 CO 0.15 0.52 0.70 -0.63 0.00 0.00 0.00 175.10 175.85 1jcl s ILE 139 N 1.17 4.85 -0.51 2.22 1.01 0.29 -0.52 121.20 129.71 1jcl s ILE 139 Ca 0.02 0.86 0.23 0.00 0.00 0.00 0.00 60.65 61.75 1jcl s ILE 139 Cb -0.14 -4.10 -0.13 0.00 0.01 0.00 0.00 42.46 38.10 1jcl s ILE 139 CO -0.08 -0.28 0.96 2.30 0.00 0.00 0.00 174.94 177.84 1jcl n ILE 140 N 5.57 0.20 -2.79 2.92 -5.35 -0.70 -0.70 119.36 118.51 1jcl n ILE 140 Ca 0.01 -0.30 -0.07 0.00 -0.27 0.00 0.00 62.75 62.11 1jcl n ILE 140 Cb 0.48 0.14 0.03 0.00 -1.74 0.00 0.00 39.64 38.56 1jcl n ILE 140 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1jcl n GLU 141 N -2.07 -1.45 -0.14 6.28 4.07 -0.20 -4.75 120.64 122.38 1jcl n GLU 141 Ca 0.01 0.89 0.13 0.00 -0.06 0.00 0.00 57.16 58.13 1jcl n GLU 141 Cb 0.46 -4.80 0.47 0.00 -0.06 0.00 0.00 31.44 27.51 1jcl n GLU 141 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 1jcl h THR 142 N -0.38 0.86 0.00 6.31 1.35 -1.36 -1.13 112.91 118.56 1jcl h THR 142 Ca -0.29 -0.16 -0.03 0.00 -0.55 0.00 0.00 66.41 65.37 1jcl h THR 142 Cb 1.15 0.35 -0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1jcl h THR 142 CO 0.30 0.09 -0.16 1.23 -0.25 0.00 0.00 175.52 176.72 1jcl h GLY 143 N 0.48 0.00 0.59 5.82 0.00 -1.81 -0.46 103.07 107.68 1jcl h GLY 143 Ca 0.33 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.30 1jcl h GLY 143 CO -0.11 0.00 -2.01 1.18 0.00 0.00 0.00 176.54 175.60 1jcl n GLU 144 N -3.46 0.73 -0.10 4.80 -0.58 -0.53 -4.38 120.64 117.13 1jcl n GLU 144 Ca -0.01 0.25 -0.09 0.00 -0.42 0.00 0.00 57.16 56.89 1jcl n GLU 144 Cb 0.33 -1.70 -0.02 0.00 -0.57 0.00 0.00 31.44 29.48 1jcl n GLU 144 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1jcl h LEU 145 N 0.05 0.40 0.00 -4.62 3.38 -1.18 -3.45 115.31 109.88 1jcl h LEU 145 Ca -0.42 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1jcl h LEU 145 Cb 2.02 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1jcl h LEU 145 CO 0.07 0.37 0.00 0.29 0.09 0.00 0.00 178.44 179.26 1jcl n LYS 146 N -4.80 0.00 -2.46 1.13 5.02 -0.19 -4.85 118.16 112.01 1jcl n LYS 146 Ca -0.01 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 1jcl n LYS 146 Cb 0.07 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.04 1jcl n LYS 146 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jcl s ASP 147 N 0.00 7.23 0.23 4.39 1.01 -1.26 -4.92 116.67 123.34 1jcl s ASP 147 Ca 0.00 2.24 -0.07 0.00 0.71 0.00 0.00 52.55 55.44 1jcl s ASP 147 Cb 0.00 -2.62 0.33 0.00 1.01 0.00 0.00 42.92 41.64 1jcl s ASP 147 CO 0.00 -0.20 1.79 -0.08 0.21 0.00 0.00 175.17 176.89 1jcl h GLU 148 N 4.25 0.63 -0.81 8.23 4.81 -1.98 -0.78 114.58 128.93 1jcl h GLU 148 Ca -0.46 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1jcl h GLU 148 Cb 1.21 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 1jcl h GLU 148 CO 0.69 0.42 0.46 0.00 -0.73 0.00 0.00 179.01 179.85 1jcl h ALA 149 N 1.42 1.29 -0.34 2.92 0.00 -1.97 -0.45 119.26 122.12 1jcl h ALA 149 Ca 0.35 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1jcl h ALA 149 Cb 0.34 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1jcl h ALA 149 CO -0.25 0.59 -0.43 -0.07 0.00 0.00 0.00 179.25 179.09 1jcl h LEU 150 N 1.13 0.94 -0.46 0.00 3.38 -1.68 -0.52 115.31 118.10 1jcl h LEU 150 Ca 0.29 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1jcl h LEU 150 Cb -0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1jcl h LEU 150 CO -0.05 1.24 0.31 0.40 0.09 0.00 0.00 178.44 180.42 1jcl h ILE 151 N 0.70 1.12 -0.39 1.22 2.04 -0.77 0.04 117.51 121.47 1jcl h ILE 151 Ca 0.05 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1jcl h ILE 151 Cb 1.02 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1jcl h ILE 151 CO 0.10 0.11 0.21 0.03 0.00 0.00 0.00 178.15 178.61 1jcl h ARG 152 N 0.63 0.55 -0.48 2.37 3.08 -1.01 -2.13 114.38 117.38 1jcl h ARG 152 Ca 0.17 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 1jcl h ARG 152 Cb -0.07 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1jcl h ARG 152 CO -0.04 0.45 0.04 -0.22 -1.07 0.00 0.00 179.97 179.13 1jcl h LYS 153 N 0.50 0.82 -0.86 0.04 1.63 -0.85 0.15 116.57 118.01 1jcl h LYS 153 Ca 0.14 -0.24 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 1jcl h LYS 153 Cb 0.06 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.57 1jcl h LYS 153 CO -0.02 0.85 0.43 0.00 -3.45 0.00 0.00 179.45 177.25 1jcl h ALA 154 N 0.94 1.10 -0.19 5.00 0.00 -0.95 0.12 119.26 125.29 1jcl h ALA 154 Ca 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jcl h ALA 154 Cb 0.45 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1jcl h ALA 154 CO 0.02 0.65 0.11 0.77 0.00 0.00 0.00 179.25 180.80 1jcl h SER 155 N 1.21 0.23 -0.12 0.00 0.02 -1.12 -1.56 113.55 112.21 1jcl h SER 155 Ca 0.30 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1jcl h SER 155 Cb 0.09 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1jcl h SER 155 CO -0.04 0.22 0.07 -0.08 -1.14 0.00 0.00 176.83 175.86 1jcl h GLU 156 N 0.22 0.16 -0.64 3.45 4.81 -0.61 -0.80 114.58 121.18 1jcl h GLU 156 Ca 0.07 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1jcl h GLU 156 Cb 0.03 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1jcl h GLU 156 CO -0.01 0.15 0.42 0.82 -0.73 0.00 0.00 179.01 179.66 1jcl h ILE 157 N 0.13 1.15 -0.51 2.32 2.04 -0.95 -0.37 117.51 121.32 1jcl h ILE 157 Ca 0.04 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1jcl h ILE 157 Cb 0.03 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 1jcl h ILE 157 CO -0.01 0.15 0.32 0.28 0.00 0.00 0.00 178.15 178.90 1jcl h SER 158 N 0.84 0.59 -0.42 1.72 0.02 -1.09 -0.78 113.55 114.45 1jcl h SER 158 Ca 0.24 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1jcl h SER 158 Cb -0.07 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1jcl h SER 158 CO -0.06 0.45 0.17 0.40 -1.14 0.00 0.00 176.83 176.65 1jcl h ILE 159 N 0.68 1.20 -0.68 3.27 2.04 -0.83 -0.65 117.51 122.53 1jcl h ILE 159 Ca 0.18 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.46 1jcl h ILE 159 Cb -0.04 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1jcl h ILE 159 CO -0.04 0.22 0.45 0.11 0.00 0.00 0.00 178.15 178.90 1jcl h LYS 160 N 0.53 0.85 0.00 2.37 1.57 -0.74 -1.61 116.57 119.55 1jcl h LYS 160 Ca 0.14 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1jcl h LYS 160 Cb 0.19 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1jcl h LYS 160 CO -0.01 0.56 0.00 0.00 -0.57 0.00 0.00 179.45 179.43 1jcl n ALA 161 N -2.44 2.35 0.00 3.86 0.00 -0.33 -4.91 120.51 119.05 1jcl n ALA 161 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1jcl n ALA 161 Cb 0.08 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1jcl n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jcl n GLY 162 N 1.30 1.42 3.64 0.00 0.00 -0.60 -3.90 105.19 107.04 1jcl n GLY 162 Ca 0.10 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.66 1jcl n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcl n ALA 163 N -0.63 0.50 0.10 4.61 0.00 -0.30 -4.89 120.51 119.91 1jcl n ALA 163 Ca 0.00 0.43 0.07 0.00 0.00 0.00 0.00 53.44 53.94 1jcl n ALA 163 Cb 0.00 -2.19 -0.00 0.00 0.00 0.00 0.00 19.45 17.26 1jcl n ALA 163 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1jcl h ASP 164 N 3.91 0.00 -5.01 0.00 3.32 -1.12 -3.44 116.42 114.09 1jcl h ASP 164 Ca -0.44 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.46 1jcl h ASP 164 Cb 1.30 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.65 1jcl h ASP 164 CO 0.74 0.23 -0.54 -0.36 -1.72 0.00 0.00 179.24 177.59 1jcl s PHE 165 N -3.16 0.12 -0.09 4.55 0.40 -1.06 -1.01 117.98 117.72 1jcl s PHE 165 Ca 0.00 -0.30 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 1jcl s PHE 165 Cb 0.08 -0.10 -0.02 0.00 0.51 0.00 0.00 43.02 43.50 1jcl s PHE 165 CO 0.78 -0.29 -0.16 0.96 0.70 0.00 0.00 175.22 177.21 1jcl s ILE 166 N -1.68 2.80 -0.02 0.64 -4.36 -0.37 -1.12 121.20 117.08 1jcl s ILE 166 Ca -0.13 -0.78 0.07 0.00 -0.26 0.00 0.00 60.65 59.55 1jcl s ILE 166 Cb -0.07 -2.12 -0.02 0.00 1.25 0.00 0.00 42.46 41.51 1jcl s ILE 166 CO -0.00 0.56 -0.23 -0.75 0.24 0.00 0.00 174.94 174.76 1jcl s LYS 167 N -0.07 1.90 0.11 0.37 2.20 0.32 -1.41 119.74 123.16 1jcl s LYS 167 Ca -0.03 -0.81 -0.16 0.00 -0.36 0.00 0.00 55.97 54.60 1jcl s LYS 167 Cb -0.14 -1.81 -0.04 0.00 -1.51 0.00 0.00 37.83 34.34 1jcl s LYS 167 CO 0.04 0.47 1.57 1.79 -0.36 0.00 0.00 175.35 178.86 1jcl h THR 168 N 4.63 1.25 -2.99 3.43 1.35 -1.65 -1.87 112.91 117.08 1jcl h THR 168 Ca -0.40 -0.94 -0.04 0.00 -0.55 0.00 0.00 66.41 64.48 1jcl h THR 168 Cb 1.14 1.16 -0.14 0.00 -1.73 0.00 0.00 68.15 68.58 1jcl h THR 168 CO 0.47 0.31 0.11 -0.44 -0.25 0.00 0.00 175.52 175.72 1jcl s SER 169 N -6.10 -0.47 0.37 5.36 0.01 -1.26 -0.93 113.70 110.69 1jcl s SER 169 Ca -0.13 0.00 0.23 0.00 1.31 0.00 0.00 55.95 57.36 1jcl s SER 169 Cb 0.09 0.54 0.30 0.00 0.21 0.00 0.00 66.02 67.16 1jcl s SER 169 CO 0.78 -0.87 1.50 0.71 0.41 0.00 0.00 173.24 175.77 1jcl h THR 170 N 2.31 0.00 0.00 1.44 1.35 -1.93 -3.43 112.91 112.64 1jcl h THR 170 Ca -0.33 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 1jcl h THR 170 Cb 1.27 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 1jcl h THR 170 CO 0.41 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 1jcl n GLY 171 N 1.13 0.77 0.19 5.82 0.00 -1.26 -4.89 105.19 106.95 1jcl n GLY 171 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 1jcl n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jcl n LYS 172 N -2.29 0.99 -4.56 1.61 4.76 -1.26 -4.91 118.16 112.51 1jcl n LYS 172 Ca 0.00 -1.14 -0.30 0.00 -2.87 0.00 0.00 58.31 54.00 1jcl n LYS 172 Cb 0.01 -1.08 -0.08 0.00 -1.84 0.00 0.00 35.03 32.03 1jcl n LYS 172 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1jcl s VAL 173 N -0.61 1.65 0.22 -0.18 -7.23 -1.26 -5.07 120.40 107.92 1jcl s VAL 173 Ca 0.06 -1.92 -0.04 0.00 -1.81 0.00 0.00 61.98 58.27 1jcl s VAL 173 Cb 0.04 -2.57 0.04 0.00 0.56 0.00 0.00 36.38 34.45 1jcl s VAL 173 CO 0.05 0.00 1.64 0.00 -0.31 0.00 0.00 175.10 176.48 1jcl h ALA 174 N 1.46 0.89 -3.23 1.32 0.00 -1.94 -3.42 119.26 114.35 1jcl h ALA 174 Ca -0.43 -0.36 -0.67 0.00 0.00 0.00 0.00 54.91 53.45 1jcl h ALA 174 Cb 1.28 -0.16 -0.32 0.00 0.00 0.00 0.00 17.79 18.59 1jcl h ALA 174 CO 0.75 0.63 -0.84 0.08 0.00 0.00 0.00 179.25 179.86 1jcl s VAL 175 N -4.66 2.31 0.00 0.00 1.01 -1.26 -5.09 120.40 112.71 1jcl s VAL 175 Ca -0.09 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1jcl s VAL 175 Cb 0.13 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1jcl s VAL 175 CO 0.83 0.54 0.00 0.59 0.00 0.00 0.00 175.10 177.06 1jcl n ASN 176 N 3.94 0.00 -4.78 3.32 3.02 -1.26 -3.72 115.26 115.79 1jcl n ASN 176 Ca -0.19 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.95 1jcl n ASN 176 Cb 0.52 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.69 1jcl n ASN 176 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jcl s ALA 177 N -2.00 3.52 0.09 5.41 0.00 -0.98 -4.58 121.76 123.22 1jcl s ALA 177 Ca 0.00 1.49 0.03 0.00 0.00 0.00 0.00 51.96 53.48 1jcl s ALA 177 Cb 0.00 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1jcl s ALA 177 CO 0.00 -0.98 -0.08 0.95 0.00 0.00 0.00 175.76 175.65 1jcl s THR 178 N -1.14 0.78 0.25 0.00 -4.23 -1.26 -4.95 115.64 105.09 1jcl s THR 178 Ca 0.53 -1.65 -0.05 0.00 -1.18 0.00 0.00 61.69 59.34 1jcl s THR 178 Cb -0.45 -1.34 0.26 0.00 1.34 0.00 0.00 72.50 72.31 1jcl s THR 178 CO 0.60 -0.64 1.92 -0.65 -0.54 0.00 0.00 174.62 175.30 1jcl h PRO 179 N 3.51 1.26 -0.39 3.99 0.11 -1.96 -1.20 132.00 137.32 1jcl h PRO 179 Ca -0.36 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jcl h PRO 179 Cb 1.18 -0.29 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 1jcl h PRO 179 CO 0.55 0.84 0.23 1.49 -0.21 0.00 0.00 178.00 180.90 1jcl h GLU 180 N 1.30 0.54 -0.78 1.05 4.81 -1.99 -0.64 114.58 118.88 1jcl h GLU 180 Ca 0.38 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1jcl h GLU 180 Cb -0.08 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.16 1jcl h GLU 180 CO -0.10 0.41 0.46 0.77 -0.73 0.00 0.00 179.01 179.82 1jcl h SER 181 N 0.52 0.94 -0.35 1.04 0.02 -1.88 -0.59 113.55 113.24 1jcl h SER 181 Ca 0.14 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1jcl h SER 181 Cb 0.02 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1jcl h SER 181 CO -0.03 0.73 0.21 0.00 -1.14 0.00 0.00 176.83 176.60 1jcl h ALA 182 N 1.25 0.45 -0.42 3.77 0.00 -0.93 -1.57 119.26 121.81 1jcl h ALA 182 Ca 0.28 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1jcl h ALA 182 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1jcl h ALA 182 CO -0.05 -0.04 0.28 -0.09 0.00 0.00 0.00 179.25 179.35 1jcl h ARG 183 N 0.46 0.55 -0.25 0.00 2.43 -0.71 -0.64 114.38 116.21 1jcl h ARG 183 Ca 0.13 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1jcl h ARG 183 Cb 0.03 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1jcl h ARG 183 CO -0.02 0.36 0.10 0.82 -1.51 0.00 0.00 179.97 179.72 1jcl h ILE 184 N 0.56 0.96 -0.58 1.20 2.04 -0.93 0.12 117.51 120.89 1jcl h ILE 184 Ca 0.15 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 1jcl h ILE 184 Cb -0.06 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1jcl h ILE 184 CO -0.04 0.04 0.13 0.24 0.00 0.00 0.00 178.15 178.52 1jcl h MET 185 N 0.22 0.93 -0.19 2.37 2.86 -1.09 -2.09 114.93 117.94 1jcl h MET 185 Ca 0.11 -0.23 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 1jcl h MET 185 Cb 0.06 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1jcl h MET 185 CO -0.10 0.87 -0.17 0.52 1.06 0.00 0.00 176.91 179.09 1jcl h MET 186 N 0.83 0.33 -0.31 1.72 2.86 -0.94 -2.08 114.93 117.34 1jcl h MET 186 Ca 0.18 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1jcl h MET 186 Cb 0.37 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1jcl h MET 186 CO 0.00 0.50 -0.01 0.93 1.06 0.00 0.00 176.91 179.39 1jcl h GLU 187 N 0.30 0.48 -0.40 1.72 5.08 -0.51 -0.91 114.58 120.35 1jcl h GLU 187 Ca 0.06 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1jcl h GLU 187 Cb 0.48 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1jcl h GLU 187 CO 0.03 0.52 0.13 0.28 -1.00 0.00 0.00 179.01 178.97 1jcl h VAL 188 N 0.46 1.21 -0.52 3.13 2.07 -0.72 0.15 116.25 122.03 1jcl h VAL 188 Ca 0.10 -0.69 0.09 0.00 0.82 0.00 0.00 66.70 67.01 1jcl h VAL 188 Cb 0.32 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 1jcl h VAL 188 CO 0.01 0.24 0.13 0.40 0.02 0.00 0.00 177.57 178.37 1jcl h ILE 189 N 0.50 0.74 0.04 4.57 2.04 -1.07 -0.67 117.51 123.65 1jcl h ILE 189 Ca 0.13 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1jcl h ILE 189 Cb 0.25 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1jcl h ILE 189 CO -0.01 0.05 -0.06 -0.09 0.00 0.00 0.00 178.15 178.05 1jcl h ARG 190 N 0.27 -0.11 -0.03 2.37 2.43 -0.95 -1.87 114.38 116.49 1jcl h ARG 190 Ca 0.26 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1jcl h ARG 190 Cb 0.34 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1jcl h ARG 190 CO -0.32 -0.08 -0.24 -0.44 -1.51 0.00 0.00 179.97 177.39 1jcl h ASP 191 N -0.12 0.04 0.30 -3.80 3.32 -0.20 -1.53 116.42 114.44 1jcl h ASP 191 Ca 0.01 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jcl h ASP 191 Cb 0.12 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1jcl h ASP 191 CO -0.03 0.28 -0.25 0.23 -1.72 0.00 0.00 179.24 177.75 1jcl n MET 192 N -4.24 0.70 -2.50 3.56 2.81 -0.30 -4.96 117.12 112.18 1jcl n MET 192 Ca -0.02 -0.38 -0.17 0.00 -1.81 0.00 0.00 57.70 55.32 1jcl n MET 192 Cb 0.30 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 1jcl n MET 192 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jcl n GLY 193 N 1.35 -0.29 1.47 3.03 0.00 -0.57 -4.92 105.19 105.25 1jcl n GLY 193 Ca 0.12 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 1jcl n GLY 193 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jcl n VAL 194 N -4.10 2.69 -0.21 1.61 0.24 -0.77 -4.67 118.33 113.12 1jcl n VAL 194 Ca -0.16 -2.16 0.22 0.00 -2.04 0.00 0.00 64.34 60.20 1jcl n VAL 194 Cb 0.63 -0.34 0.58 0.00 -1.47 0.00 0.00 33.84 33.24 1jcl n VAL 194 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1jcl h GLU 195 N 1.57 0.27 -0.05 7.34 3.07 -1.84 -1.09 114.58 123.85 1jcl h GLU 195 Ca 0.25 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 58.94 1jcl h GLU 195 Cb 1.97 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.81 1jcl h GLU 195 CO 0.55 0.18 -0.65 -0.22 -1.40 0.00 0.00 179.01 177.47 1jcl h LYS 196 N 0.28 0.21 -0.00 2.33 3.64 -1.96 -3.37 116.57 117.70 1jcl h LYS 196 Ca 0.45 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1jcl h LYS 196 Cb 1.31 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1jcl h LYS 196 CO -0.13 0.78 -0.42 0.25 -2.27 0.00 0.00 179.45 177.67 1jcl n THR 197 N -3.83 0.00 -4.07 1.00 -2.24 -0.53 -4.95 114.28 99.66 1jcl n THR 197 Ca -0.02 -0.29 -0.28 0.00 -2.27 0.00 0.00 64.05 61.19 1jcl n THR 197 Cb 0.65 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.71 1jcl n THR 197 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1jcl s VAL 198 N -1.84 1.26 0.57 2.28 1.01 -0.53 -4.63 120.40 118.52 1jcl s VAL 198 Ca 0.04 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1jcl s VAL 198 Cb 0.07 -1.22 0.06 0.00 0.00 0.00 0.00 36.38 35.29 1jcl s VAL 198 CO 0.37 0.40 0.80 -0.83 0.00 0.00 0.00 175.10 175.84 1jcl s GLY 199 N 1.45 1.82 -0.01 4.51 0.00 -0.18 -4.69 107.32 110.21 1jcl s GLY 199 Ca 0.02 -1.53 0.06 0.00 0.00 0.00 0.00 44.72 43.27 1jcl s GLY 199 CO -0.07 -1.18 -0.21 -0.12 0.00 0.00 0.00 173.10 171.52 1jcl s PHE 200 N -2.79 1.86 -0.28 1.90 5.36 -0.10 -1.24 117.98 122.69 1jcl s PHE 200 Ca 0.59 -0.35 -0.02 0.00 -0.96 0.00 0.00 56.93 56.19 1jcl s PHE 200 Cb -0.09 -1.19 0.09 0.00 -0.34 0.00 0.00 43.02 41.49 1jcl s PHE 200 CO 0.39 -0.03 0.10 0.21 -1.46 0.00 0.00 175.22 174.43 1jcl s LYS 201 N -0.50 0.50 0.34 10.12 2.20 -0.50 -2.22 119.74 129.68 1jcl s LYS 201 Ca 0.08 -0.75 -0.27 0.00 -0.36 0.00 0.00 55.97 54.67 1jcl s LYS 201 Cb -0.08 -1.71 -0.09 0.00 -1.51 0.00 0.00 37.83 34.44 1jcl s LYS 201 CO -0.01 -0.94 1.11 -1.25 -0.36 0.00 0.00 175.35 173.91 1jcl s PRO 202 N 1.84 4.35 -0.07 4.03 0.04 -1.22 -1.78 135.00 142.19 1jcl s PRO 202 Ca 0.08 1.75 -0.21 0.00 0.04 0.00 0.00 61.00 62.65 1jcl s PRO 202 Cb -0.17 -2.88 0.05 0.00 0.04 0.00 0.00 34.50 31.54 1jcl s PRO 202 CO -0.26 -0.03 0.50 0.00 0.04 0.00 0.00 177.00 177.24 1jcl s ALA 203 N -1.36 -1.27 0.00 8.56 0.00 -1.26 -1.30 121.76 125.13 1jcl s ALA 203 Ca 0.51 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1jcl s ALA 203 Cb -0.29 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1jcl s ALA 203 CO 0.37 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1jcl n GLY 204 N 1.53 -1.06 2.36 0.00 0.00 -1.21 -2.32 105.19 104.48 1jcl n GLY 204 Ca -0.19 -0.95 -0.01 0.00 0.00 0.00 0.00 46.02 44.88 1jcl n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcl n GLY 205 N 1.54 0.39 3.45 -0.02 0.00 -1.26 -2.65 105.19 106.64 1jcl n GLY 205 Ca 0.00 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1jcl n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jcl s VAL 206 N -1.70 4.36 -0.04 1.61 1.01 -1.26 -4.82 120.40 119.55 1jcl s VAL 206 Ca 0.00 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.63 1jcl s VAL 206 Cb 0.00 -4.67 -0.07 0.00 0.00 0.00 0.00 36.38 31.64 1jcl s VAL 206 CO 0.00 -1.42 0.04 0.54 0.00 0.00 0.00 175.10 174.26 1jcl n ARG 207 N 7.59 2.44 -4.49 2.72 1.74 -1.26 -4.22 116.66 121.18 1jcl n ARG 207 Ca -0.04 -0.01 -0.24 0.00 -0.77 0.00 0.00 57.85 56.78 1jcl n ARG 207 Cb 0.45 -1.14 -0.10 0.00 -1.02 0.00 0.00 32.46 30.65 1jcl n ARG 207 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1jcl s THR 208 N -2.20 2.40 0.31 0.55 -4.23 -1.26 -4.20 115.64 107.01 1jcl s THR 208 Ca -0.03 -2.35 0.00 0.00 -1.18 0.00 0.00 61.69 58.13 1jcl s THR 208 Cb 0.02 -2.38 0.27 0.00 1.34 0.00 0.00 72.50 71.75 1jcl s THR 208 CO 0.23 -0.35 1.94 0.00 -0.54 0.00 0.00 174.62 175.90 1jcl h ALA 209 N 2.22 1.50 -0.20 3.99 0.00 -1.85 -1.12 119.26 123.79 1jcl h ALA 209 Ca -0.40 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1jcl h ALA 209 Cb 1.26 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1jcl h ALA 209 CO 0.63 0.41 -0.23 0.93 0.00 0.00 0.00 179.25 180.98 1jcl h GLU 210 N 1.02 0.37 0.15 0.00 3.07 -1.95 -1.15 114.58 116.08 1jcl h GLU 210 Ca 0.34 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 59.07 1jcl h GLU 210 Cb 0.07 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1jcl h GLU 210 CO -0.10 0.58 -0.07 -0.44 -1.40 0.00 0.00 179.01 177.58 1jcl h ASP 211 N 0.33 -0.17 -0.77 1.42 3.32 -1.70 -2.73 116.42 116.12 1jcl h ASP 211 Ca 0.05 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1jcl h ASP 211 Cb 0.59 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.15 1jcl h ASP 211 CO 0.04 0.05 0.46 0.00 -1.72 0.00 0.00 179.24 178.08 1jcl h ALA 212 N 0.42 1.35 -0.59 3.45 0.00 -0.93 -2.19 119.26 120.77 1jcl h ALA 212 Ca -0.02 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1jcl h ALA 212 Cb 0.31 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1jcl h ALA 212 CO 0.03 0.56 0.39 0.37 0.00 0.00 0.00 179.25 180.60 1jcl h GLN 213 N 1.07 0.75 -0.51 0.00 4.15 -0.98 -2.06 115.11 117.53 1jcl h GLN 213 Ca 0.28 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.59 1jcl h GLN 213 Cb -0.04 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 1jcl h GLN 213 CO -0.05 0.50 0.05 0.87 -1.93 0.00 0.00 178.83 178.27 1jcl h LYS 214 N 0.77 0.82 -0.14 1.69 1.57 -1.10 -1.35 116.57 118.84 1jcl h LYS 214 Ca 0.22 -0.20 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 1jcl h LYS 214 Cb -0.05 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.16 1jcl h LYS 214 CO -0.05 0.79 -0.56 1.88 -0.57 0.00 0.00 179.45 180.94 1jcl h TYR 215 N 0.78 0.83 -0.05 -1.35 -1.99 -1.35 -3.09 116.97 110.74 1jcl h TYR 215 Ca 0.16 -0.35 -0.07 0.00 2.00 0.00 0.00 58.73 60.46 1jcl h TYR 215 Cb 0.39 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 1jcl h TYR 215 CO 0.02 1.15 -0.30 -0.07 -0.00 0.00 0.00 178.16 178.96 1jcl h LEU 216 N 0.28 0.10 -0.78 3.88 3.38 -1.29 -2.45 115.31 118.42 1jcl h LEU 216 Ca -0.03 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1jcl h LEU 216 Cb 1.20 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1jcl h LEU 216 CO 0.12 0.40 0.51 0.00 0.09 0.00 0.00 178.44 179.56 1jcl h ALA 217 N 1.61 1.00 -0.29 1.53 0.00 -1.20 0.01 119.26 121.93 1jcl h ALA 217 Ca 0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1jcl h ALA 217 Cb 0.58 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1jcl h ALA 217 CO 0.04 0.38 -0.17 0.82 0.00 0.00 0.00 179.25 180.33 1jcl h ILE 218 N 1.04 1.30 -0.31 0.00 2.04 -1.41 -1.61 117.51 118.56 1jcl h ILE 218 Ca 0.29 -1.28 0.02 0.00 1.00 0.00 0.00 64.86 64.90 1jcl h ILE 218 Cb -0.09 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1jcl h ILE 218 CO -0.07 0.41 0.15 0.00 0.00 0.00 0.00 178.15 178.63 1jcl h ALA 219 N 0.74 0.37 -0.68 1.87 0.00 -1.13 -1.19 119.26 119.24 1jcl h ALA 219 Ca 0.06 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1jcl h ALA 219 Cb 0.70 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1jcl h ALA 219 CO 0.05 -0.24 0.24 -0.44 0.00 0.00 0.00 179.25 178.86 1jcl h ASP 220 N 0.31 0.95 -0.18 0.00 3.32 -0.92 -0.43 116.42 119.47 1jcl h ASP 220 Ca 0.13 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1jcl h ASP 220 Cb 0.05 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1jcl h ASP 220 CO -0.09 0.87 0.11 -0.08 -1.72 0.00 0.00 179.24 178.32 1jcl h GLU 221 N 1.00 0.24 0.04 3.56 4.81 -0.95 -0.45 114.58 122.82 1jcl h GLU 221 Ca 0.23 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.21 1jcl h GLU 221 Cb 0.24 -0.05 0.02 0.00 0.63 0.00 0.00 28.75 29.59 1jcl h GLU 221 CO -0.01 0.19 -0.89 -0.07 -0.73 0.00 0.00 179.01 177.49 1jcl h LEU 222 N 0.22 0.72 -1.56 1.64 3.38 -0.86 -3.39 115.31 115.47 1jcl h LEU 222 Ca 0.06 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1jcl h LEU 222 Cb 0.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1jcl h LEU 222 CO -0.01 1.42 0.00 0.49 0.09 0.00 0.00 178.44 180.43 1jcl n PHE 223 N -4.01 0.00 0.00 1.13 0.99 -0.20 -5.11 117.46 110.26 1jcl n PHE 223 Ca -0.12 -0.14 0.00 0.00 -0.00 0.00 0.00 57.45 57.19 1jcl n PHE 223 Cb 0.82 -0.01 0.00 0.00 -1.00 0.00 0.00 39.48 39.28 1jcl n PHE 223 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1jcl n GLY 224 N -0.14 -2.06 0.00 1.37 0.00 -0.18 -4.41 105.19 99.77 1jcl n GLY 224 Ca 0.00 -1.50 0.11 0.00 0.00 0.00 0.00 46.02 44.63 1jcl n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcl n ALA 225 N -1.53 2.05 0.97 4.61 0.00 -1.26 -2.68 120.51 122.68 1jcl n ALA 225 Ca 0.00 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.47 1jcl n ALA 225 Cb 0.00 -1.35 0.16 0.00 0.00 0.00 0.00 19.45 18.26 1jcl n ALA 225 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jcl n ASP 226 N -1.41 0.61 -0.10 0.00 10.43 -1.26 -4.47 116.55 120.35 1jcl n ASP 226 Ca 0.07 -0.40 -0.13 0.00 2.57 0.00 0.00 54.79 56.91 1jcl n ASP 226 Cb 0.22 0.43 -0.01 0.00 1.84 0.00 0.00 41.12 43.60 1jcl n ASP 226 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 177.20 175.88 1jcl h TRP 227 N 0.00 1.08 0.00 1.24 7.01 -1.72 -3.38 115.95 120.19 1jcl h TRP 227 Ca 0.00 -0.33 -0.70 0.00 2.11 0.00 0.00 58.89 59.97 1jcl h TRP 227 Cb 0.51 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.33 1jcl h TRP 227 CO 0.00 1.15 3.00 0.00 -2.79 0.00 0.00 178.44 179.80 1jcl n ALA 228 N -2.55 5.17 -2.00 2.65 0.00 -1.26 -4.62 120.51 117.90 1jcl n ALA 228 Ca -0.02 -3.78 -0.22 0.00 0.00 0.00 0.00 53.44 49.41 1jcl n ALA 228 Cb 0.56 -3.56 0.09 0.00 0.00 0.00 0.00 19.45 16.54 1jcl n ALA 228 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1jcl s ASP 229 N 3.51 4.66 0.55 0.00 1.47 -1.26 -4.75 116.67 120.85 1jcl s ASP 229 Ca 0.49 -0.46 0.30 0.00 1.18 0.00 0.00 52.55 54.06 1jcl s ASP 229 Cb 0.14 -0.03 1.60 0.00 -0.34 0.00 0.00 42.92 44.29 1jcl s ASP 229 CO -0.05 -1.63 2.12 0.00 0.68 0.00 0.00 175.17 176.28 1jcl h ALA 230 N -0.26 1.24 0.00 2.11 0.00 -1.91 0.27 119.26 120.72 1jcl h ALA 230 Ca -0.35 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1jcl h ALA 230 Cb 1.28 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1jcl h ALA 230 CO 0.41 0.10 -0.04 -0.09 0.00 0.00 0.00 179.25 179.63 1jcl h ARG 231 N 0.00 0.00 -0.00 0.00 9.65 -1.94 -3.35 114.38 118.74 1jcl h ARG 231 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1jcl h ARG 231 Cb 0.28 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1jcl h ARG 231 CO 0.01 0.04 -0.09 0.72 2.80 0.00 0.00 179.97 183.45 1jcl n HIS 232 N -3.13 0.00 -3.69 2.20 8.25 -0.12 -4.27 115.22 114.45 1jcl n HIS 232 Ca 0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 1jcl n HIS 232 Cb 0.43 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.45 1jcl n HIS 232 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1jcl s TYR 233 N -0.91 -0.63 0.02 4.41 5.04 -0.10 -0.93 117.35 124.25 1jcl s TYR 233 Ca 0.02 1.41 -0.02 0.00 -2.44 0.00 0.00 57.07 56.04 1jcl s TYR 233 Cb 0.03 0.27 -0.02 0.00 0.35 0.00 0.00 41.96 42.59 1jcl s TYR 233 CO 0.10 -0.32 0.02 1.03 -1.34 0.00 0.00 175.55 175.03 1jcl s ARG 234 N 0.80 0.41 -0.28 4.97 1.81 -0.94 -4.38 118.95 121.33 1jcl s ARG 234 Ca -0.04 -0.66 -0.12 0.00 -1.72 0.00 0.00 55.73 53.19 1jcl s ARG 234 Cb -0.05 0.15 -0.05 0.00 -0.45 0.00 0.00 34.95 34.55 1jcl s ARG 234 CO -0.06 -0.08 0.22 -0.06 -0.68 0.00 0.00 175.30 174.64 1jcl s PHE 235 N -1.86 3.22 -0.43 -0.53 0.40 -0.46 -3.45 117.98 114.87 1jcl s PHE 235 Ca -0.12 0.16 -0.25 0.00 -0.60 0.00 0.00 56.93 56.12 1jcl s PHE 235 Cb -0.07 -2.42 0.02 0.00 0.51 0.00 0.00 43.02 41.07 1jcl s PHE 235 CO -0.02 -0.18 0.90 0.20 0.70 0.00 0.00 175.22 176.82 1jcl s GLY 236 N 1.74 1.52 -0.24 4.36 0.00 -0.42 -0.50 107.32 113.78 1jcl s GLY 236 Ca 0.08 -0.74 -0.14 0.00 0.00 0.00 0.00 44.72 43.92 1jcl s GLY 236 CO 0.11 1.98 0.59 0.00 0.00 0.00 0.00 173.10 175.77 1jcl s ALA 237 N 3.59 -1.56 -0.13 3.20 0.00 -1.12 -3.35 121.76 122.38 1jcl s ALA 237 Ca 0.36 2.05 0.18 0.00 0.00 0.00 0.00 51.96 54.55 1jcl s ALA 237 Cb -0.11 -1.22 -0.15 0.00 0.00 0.00 0.00 23.12 21.65 1jcl s ALA 237 CO 0.24 -0.33 0.75 -1.13 0.00 0.00 0.00 175.76 175.28 1jcl n SER 238 N 4.11 0.71 -2.81 0.00 3.41 -1.26 -1.26 113.62 116.52 1jcl n SER 238 Ca -0.20 0.31 -0.01 0.00 -0.26 0.00 0.00 58.87 58.70 1jcl n SER 238 Cb 0.57 0.43 0.05 0.00 -0.26 0.00 0.00 64.21 65.01 1jcl n SER 238 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1jcl n SER 239 N -2.80 1.33 -0.05 4.04 7.64 -1.26 -4.79 113.62 117.73 1jcl n SER 239 Ca -0.10 -2.10 -0.06 0.00 1.01 0.00 0.00 58.87 57.62 1jcl n SER 239 Cb 0.81 -0.39 -0.07 0.00 -1.01 0.00 0.00 64.21 63.55 1jcl n SER 239 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1jcl n LEU 240 N -0.62 0.69 -0.31 -3.43 7.94 -1.26 -4.63 117.00 115.39 1jcl n LEU 240 Ca 0.05 -0.02 -0.04 0.00 -1.11 0.00 0.00 56.01 54.89 1jcl n LEU 240 Cb 0.81 0.08 0.07 0.00 0.53 0.00 0.00 43.42 44.92 1jcl n LEU 240 CO 0.07 0.34 1.16 0.25 -1.11 0.00 0.00 177.39 178.11 1jcl h LEU 241 N 0.00 1.02 -1.17 -1.96 5.85 -1.88 -1.75 115.31 115.42 1jcl h LEU 241 Ca -0.26 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 1jcl h LEU 241 Cb 1.55 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 1jcl h LEU 241 CO 0.00 0.81 0.27 0.00 -0.34 0.00 0.00 178.44 179.18 1jcl h ALA 242 N 1.25 1.35 -0.43 1.25 0.00 -1.93 -0.66 119.26 120.09 1jcl h ALA 242 Ca 0.29 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1jcl h ALA 242 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1jcl h ALA 242 CO -0.05 0.50 0.02 1.03 0.00 0.00 0.00 179.25 180.75 1jcl h SER 243 N 0.85 0.73 -0.27 0.00 0.87 -1.62 -0.66 113.55 113.45 1jcl h SER 243 Ca 0.21 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1jcl h SER 243 Cb 0.12 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1jcl h SER 243 CO -0.02 0.84 0.12 -0.07 -0.53 0.00 0.00 176.83 177.17 1jcl h LEU 244 N 0.59 0.37 -1.03 2.23 3.38 -0.83 -1.26 115.31 118.76 1jcl h LEU 244 Ca 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jcl h LEU 244 Cb 0.45 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1jcl h LEU 244 CO 0.02 0.40 0.53 -0.07 0.09 0.00 0.00 178.44 179.41 1jcl h LEU 245 N 0.30 1.06 -0.76 1.67 3.38 -1.01 -1.73 115.31 118.22 1jcl h LEU 245 Ca 0.09 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1jcl h LEU 245 Cb 0.14 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1jcl h LEU 245 CO -0.01 0.82 0.33 0.50 0.09 0.00 0.00 178.44 180.17 1jcl h LYS 246 N 1.22 1.12 -0.14 1.13 3.64 -0.86 0.93 116.57 123.59 1jcl h LYS 246 Ca 0.32 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1jcl h LYS 246 Cb -0.05 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1jcl h LYS 246 CO -0.06 0.89 -0.01 0.00 -2.27 0.00 0.00 179.45 178.01 1jcl h ALA 247 N 1.17 1.73 -0.01 5.00 0.00 -0.59 -1.86 119.26 124.70 1jcl h ALA 247 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jcl h ALA 247 Cb 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jcl h ALA 247 CO -0.03 0.21 -0.10 1.28 0.00 0.00 0.00 179.25 180.61 1jcl n LEU 248 N -4.41 0.71 0.00 0.00 4.77 -0.71 -4.73 117.00 112.63 1jcl n LEU 248 Ca -0.01 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1jcl n LEU 248 Cb 0.16 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1jcl n LEU 248 CO 0.36 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1jcl n GLY 249 N 1.24 0.41 1.71 -0.72 0.00 -0.70 -4.93 105.19 102.19 1jcl n GLY 249 Ca 0.16 -1.03 -0.00 0.00 0.00 0.00 0.00 46.02 45.15 1jcl n GLY 249 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jcl n HIS 250 N -3.10 0.66 -1.71 1.61 -0.00 0.26 -5.01 115.22 107.93 1jcl n HIS 250 Ca 0.00 -1.34 0.00 0.00 -0.00 0.00 0.00 57.72 56.38 1jcl n HIS 250 Cb 0.07 -0.22 0.00 0.00 -0.00 0.00 0.00 29.99 29.85 1jcl n HIS 250 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75