#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jc5 s SER 2 N 0.00 6.76 0.36 3.17 0.15 -1.26 -4.94 113.70 117.95 1jc5 s SER 2 Ca 0.00 2.69 -0.28 0.00 0.70 0.00 0.00 55.95 59.05 1jc5 s SER 2 Cb 0.00 -2.65 -0.11 0.00 -1.71 0.00 0.00 66.02 61.55 1jc5 s SER 2 CO 0.00 -0.54 1.44 0.20 1.20 0.00 0.00 173.24 175.54 1jc5 s ASN 3 N -0.50 6.47 0.16 5.45 0.01 -1.26 -5.01 114.94 120.26 1jc5 s ASN 3 Ca 0.49 2.94 0.09 0.00 -0.71 0.00 0.00 52.86 55.68 1jc5 s ASN 3 Cb -0.40 -2.66 -0.04 0.00 0.41 0.00 0.00 41.25 38.56 1jc5 s ASN 3 CO 0.53 -0.78 -0.14 -0.70 -1.51 0.00 0.00 177.10 174.50 1jc5 s GLU 4 N -1.95 1.90 0.21 -0.60 2.56 -1.26 -5.08 118.70 114.48 1jc5 s GLU 4 Ca 0.52 -1.26 -0.32 0.00 0.00 0.00 0.00 54.97 53.91 1jc5 s GLU 4 Cb -0.45 -2.11 -0.14 0.00 2.00 0.00 0.00 34.13 33.43 1jc5 s GLU 4 CO 0.60 0.45 1.30 -0.25 -0.56 0.00 0.00 175.26 176.80 1jc5 n ASP 5 N 0.34 2.16 0.06 -1.70 8.00 -1.26 -4.88 116.55 119.28 1jc5 n ASP 5 Ca -0.13 1.14 0.02 0.00 0.71 0.00 0.00 54.79 56.54 1jc5 n ASP 5 Cb 0.54 -1.34 -0.05 0.00 -0.02 0.00 0.00 41.12 40.25 1jc5 n ASP 5 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1jc5 h LEU 6 N 3.84 0.00 -8.88 0.64 3.38 -1.98 -3.47 115.31 108.84 1jc5 h LEU 6 Ca -0.44 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.85 1jc5 h LEU 6 Cb 1.30 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.82 1jc5 h LEU 6 CO 0.73 0.46 -0.76 -0.36 0.09 0.00 0.00 178.44 178.60 1jc5 s PHE 7 N -3.01 2.76 -0.08 1.13 0.08 -1.26 -4.46 117.98 113.13 1jc5 s PHE 7 Ca -0.02 -0.22 -0.19 0.00 0.12 0.00 0.00 56.93 56.62 1jc5 s PHE 7 Cb 0.09 -1.69 -0.29 0.00 -0.57 0.00 0.00 43.02 40.56 1jc5 s PHE 7 CO 0.80 0.13 0.71 0.82 -0.10 0.00 0.00 175.22 177.57 1jc5 h ILE 8 N 4.54 1.27 -1.58 0.64 2.04 -1.38 -3.50 117.51 119.55 1jc5 h ILE 8 Ca -0.43 -2.46 0.40 0.00 1.00 0.00 0.00 64.86 63.38 1jc5 h ILE 8 Cb 1.17 2.94 -0.11 0.00 -0.74 0.00 0.00 36.82 40.08 1jc5 h ILE 8 CO 0.52 0.69 0.99 0.00 0.00 0.00 0.00 178.15 180.35 1jc5 s ILE 10 N -2.03 4.44 0.06 0.00 1.01 -1.26 -0.85 121.20 122.57 1jc5 s ILE 10 Ca 0.24 1.60 -0.20 0.00 0.00 0.00 0.00 60.65 62.29 1jc5 s ILE 10 Cb 0.03 -4.46 -0.11 0.00 0.01 0.00 0.00 42.46 37.93 1jc5 s ILE 10 CO -0.04 -0.61 1.48 -0.78 0.00 0.00 0.00 174.94 174.98 1jc5 h ASP 11 N 8.38 0.34 -4.74 3.58 3.58 -0.41 -3.39 116.42 123.76 1jc5 h ASP 11 Ca -0.21 -0.33 0.05 0.00 0.42 0.00 0.00 57.03 56.96 1jc5 h ASP 11 Cb 1.06 -0.09 -0.15 0.00 1.72 0.00 0.00 39.33 41.87 1jc5 h ASP 11 CO 1.06 0.59 0.39 -1.38 -2.88 0.00 0.00 179.24 177.01 1jc5 s HIS 12 N -4.88 -0.43 -0.19 0.28 -3.43 -1.08 -2.50 115.29 103.06 1jc5 s HIS 12 Ca -0.14 0.35 -0.05 0.00 -0.80 0.00 0.00 55.06 54.43 1jc5 s HIS 12 Cb 0.06 0.53 -0.03 0.00 -1.43 0.00 0.00 32.58 31.72 1jc5 s HIS 12 CO 0.73 -0.63 -0.01 0.08 -2.00 0.00 0.00 174.74 172.91 1jc5 s VAL 13 N -3.01 3.94 -0.09 -5.38 1.01 -0.47 -0.57 120.40 115.83 1jc5 s VAL 13 Ca 0.02 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 1jc5 s VAL 13 Cb -0.01 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1jc5 s VAL 13 CO -0.08 0.45 0.46 0.00 0.00 0.00 0.00 175.10 175.93 1jc5 s ALA 14 N 0.80 3.53 -0.21 5.51 0.00 0.18 0.13 121.76 131.70 1jc5 s ALA 14 Ca -0.00 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.78 1jc5 s ALA 14 Cb -0.14 -2.58 0.03 0.00 0.00 0.00 0.00 23.12 20.43 1jc5 s ALA 14 CO 0.02 0.11 -0.17 -0.47 0.00 0.00 0.00 175.76 175.26 1jc5 s TYR 15 N 0.23 2.92 -0.44 0.00 5.04 0.26 0.19 117.35 125.56 1jc5 s TYR 15 Ca 0.25 -1.87 -0.19 0.00 -2.44 0.00 0.00 57.07 52.82 1jc5 s TYR 15 Cb -0.15 -1.91 0.03 0.00 0.35 0.00 0.00 41.96 40.27 1jc5 s TYR 15 CO 0.11 -0.83 0.54 0.00 -1.34 0.00 0.00 175.55 174.03 1jc5 s ALA 16 N 1.23 3.39 0.17 3.97 0.00 -0.88 -0.07 121.76 129.57 1jc5 s ALA 16 Ca 0.00 -1.41 0.09 0.00 0.00 0.00 0.00 51.96 50.64 1jc5 s ALA 16 Cb -0.15 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1jc5 s ALA 16 CO -0.10 -1.71 -0.19 0.00 0.00 0.00 0.00 175.76 173.77 1jc5 h PRO 18 N 3.23 0.00 -3.65 0.00 0.11 -1.94 -3.33 132.00 126.42 1jc5 h PRO 18 Ca -0.42 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.11 1jc5 h PRO 18 Cb 1.21 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.92 1jc5 h PRO 18 CO 0.51 0.16 -0.76 0.34 -0.21 0.00 0.00 178.00 178.04 1jc5 s ASP 19 N -6.82 3.78 0.07 -2.05 -1.08 -1.26 -4.49 116.67 104.81 1jc5 s ASP 19 Ca -0.04 -1.42 -0.27 0.00 -0.52 0.00 0.00 52.55 50.31 1jc5 s ASP 19 Cb 0.15 -0.85 -0.17 0.00 -1.46 0.00 0.00 42.92 40.60 1jc5 s ASP 19 CO 0.67 -0.37 1.63 0.00 0.52 0.00 0.00 175.17 177.62 1jc5 h ALA 20 N 8.10 -0.33 -0.63 3.66 0.00 -1.84 0.28 119.26 128.50 1jc5 h ALA 20 Ca -0.14 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.79 1jc5 h ALA 20 Cb 1.04 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 1jc5 h ALA 20 CO 0.44 -0.65 0.15 -0.44 0.00 0.00 0.00 179.25 178.74 1jc5 h ASP 21 N -0.39 0.03 0.57 0.00 3.32 -1.97 0.69 116.42 118.66 1jc5 h ASP 21 Ca -0.03 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1jc5 h ASP 21 Cb 0.30 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1jc5 h ASP 21 CO 0.06 0.01 -0.45 -0.08 -1.72 0.00 0.00 179.24 177.06 1jc5 h GLU 22 N 0.28 -0.95 -0.79 3.56 4.81 -1.90 0.22 114.58 119.80 1jc5 h GLU 22 Ca 0.34 0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.75 1jc5 h GLU 22 Cb 0.51 0.21 -0.08 0.00 0.63 0.00 0.00 28.75 30.02 1jc5 h GLU 22 CO -0.42 -0.63 0.41 0.00 -0.73 0.00 0.00 179.01 177.64 1jc5 h ALA 23 N -1.12 1.14 -0.59 2.92 0.00 -0.30 0.13 119.26 121.43 1jc5 h ALA 23 Ca -0.07 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1jc5 h ALA 23 Cb 0.82 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1jc5 h ALA 23 CO 0.01 -0.04 0.19 1.03 0.00 0.00 0.00 179.25 180.44 1jc5 h SER 24 N 0.64 0.82 -0.52 0.00 0.87 0.68 -1.48 113.55 114.57 1jc5 h SER 24 Ca 0.41 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 1jc5 h SER 24 Cb 0.48 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 1jc5 h SER 24 CO -0.31 0.77 0.23 0.11 -0.53 0.00 0.00 176.83 177.11 1jc5 h LYS 25 N 0.86 0.77 0.26 2.24 1.79 0.13 -2.53 116.57 120.10 1jc5 h LYS 25 Ca 0.20 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1jc5 h LYS 25 Cb 0.25 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1jc5 h LYS 25 CO -0.01 0.66 -0.18 -0.92 -1.08 0.00 0.00 179.45 177.92 1jc5 h TYR 26 N 0.70 -0.47 -0.56 -1.35 3.20 -0.64 0.25 116.97 118.10 1jc5 h TYR 26 Ca 0.18 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.13 1jc5 h TYR 26 Cb 0.16 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 1jc5 h TYR 26 CO 0.00 -0.28 0.37 1.88 -1.64 0.00 0.00 178.16 178.50 1jc5 h TYR 27 N -0.44 0.43 0.02 -3.82 -1.99 -1.19 -0.43 116.97 109.55 1jc5 h TYR 27 Ca -0.02 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.61 1jc5 h TYR 27 Cb 0.37 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 1jc5 h TYR 27 CO -0.10 0.21 -0.57 1.96 -0.00 0.00 0.00 178.16 179.66 1jc5 h GLN 28 N 0.41 0.03 0.00 4.88 4.20 -1.18 1.63 115.11 125.08 1jc5 h GLN 28 Ca 0.25 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1jc5 h GLN 28 Cb 0.46 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1jc5 h GLN 28 CO -0.07 1.03 0.00 0.39 -0.67 0.00 0.00 178.83 179.51 1jc5 n GLU 29 N -4.48 0.00 0.00 1.46 -0.58 0.85 -2.40 120.64 115.49 1jc5 n GLU 29 Ca -0.19 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 1jc5 n GLU 29 Cb 0.60 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 1jc5 n GLU 29 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1jc5 n THR 30 N -1.97 0.00 0.28 2.62 -1.04 -0.18 -4.17 114.28 109.81 1jc5 n THR 30 Ca 0.00 0.97 0.17 0.00 -2.04 0.00 0.00 64.05 63.14 1jc5 n THR 30 Cb 0.00 -1.84 0.77 0.00 -1.82 0.00 0.00 70.33 67.44 1jc5 n THR 30 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1jc5 h PHE 31 N 0.00 0.00 -2.06 -1.42 0.04 -1.52 -3.47 116.94 108.50 1jc5 h PHE 31 Ca 0.00 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.59 1jc5 h PHE 31 Cb 0.00 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.17 1jc5 h PHE 31 CO 0.10 0.05 -0.26 0.41 -0.60 0.00 0.00 178.31 178.00 1jc5 n GLY 32 N -0.29 0.12 3.81 -1.45 0.00 0.22 -4.94 105.19 102.65 1jc5 n GLY 32 Ca -0.01 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 1jc5 n GLY 32 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jc5 s TRP 33 N -2.74 3.81 0.08 1.61 0.52 0.50 -4.90 118.94 117.82 1jc5 s TRP 33 Ca 0.11 1.30 -0.27 0.00 0.02 0.00 0.00 56.10 57.26 1jc5 s TRP 33 Cb -0.05 -2.51 -0.06 0.00 -1.15 0.00 0.00 33.47 29.70 1jc5 s TRP 33 CO 0.13 0.58 0.83 -1.01 0.02 0.00 0.00 176.95 177.50 1jc5 s HIS 34 N -1.12 3.79 -0.14 -1.98 3.76 0.17 -3.72 115.29 116.05 1jc5 s HIS 34 Ca 0.30 1.60 -0.22 0.00 -0.15 0.00 0.00 55.06 56.59 1jc5 s HIS 34 Cb -0.20 -2.89 -0.03 0.00 1.11 0.00 0.00 32.58 30.58 1jc5 s HIS 34 CO 0.20 0.29 0.65 -2.00 -0.85 0.00 0.00 174.74 173.03 1jc5 s GLU 35 N -0.20 4.32 -0.01 1.40 2.12 -1.26 -1.32 118.70 123.75 1jc5 s GLU 35 Ca 0.41 0.73 0.11 0.00 0.36 0.00 0.00 54.97 56.58 1jc5 s GLU 35 Cb -0.22 -3.51 -0.16 0.00 0.26 0.00 0.00 34.13 30.50 1jc5 s GLU 35 CO 0.26 -0.08 0.33 1.28 -0.54 0.00 0.00 175.26 176.50 1jc5 n LEU 36 N 4.41 0.17 -3.62 2.70 4.77 0.33 -4.99 117.00 120.76 1jc5 n LEU 36 Ca -0.02 -0.16 -0.07 0.00 -0.03 0.00 0.00 56.01 55.73 1jc5 n LEU 36 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1jc5 n LEU 36 CO 0.45 0.04 0.89 -2.28 -1.33 0.00 0.00 177.39 175.16 1jc5 s HIS 37 N -2.56 -0.30 -0.03 -1.77 5.04 -1.23 -4.98 115.29 109.45 1jc5 s HIS 37 Ca -0.02 0.66 0.02 0.00 -1.54 0.00 0.00 55.06 54.19 1jc5 s HIS 37 Cb 0.08 0.43 0.00 0.00 0.04 0.00 0.00 32.58 33.13 1jc5 s HIS 37 CO 0.48 -0.20 -0.09 0.50 -2.34 0.00 0.00 174.74 173.09 1jc5 s ARG 38 N -0.34 0.93 0.01 2.88 3.52 -1.26 -1.10 118.95 123.58 1jc5 s ARG 38 Ca 0.03 -0.29 -0.02 0.00 -0.13 0.00 0.00 55.73 55.33 1jc5 s ARG 38 Cb -0.03 -0.87 -0.01 0.00 -1.56 0.00 0.00 34.95 32.48 1jc5 s ARG 38 CO -0.06 0.10 0.02 -2.00 -0.81 0.00 0.00 175.30 172.55 1jc5 s GLU 39 N 0.23 0.28 -0.07 5.12 2.12 0.11 -5.00 118.70 121.48 1jc5 s GLU 39 Ca -0.04 -0.40 -0.00 0.00 0.36 0.00 0.00 54.97 54.89 1jc5 s GLU 39 Cb -0.09 0.11 0.02 0.00 0.26 0.00 0.00 34.13 34.43 1jc5 s GLU 39 CO 0.00 -0.05 -0.03 -2.00 -0.54 0.00 0.00 175.26 172.64 1jc5 s GLU 40 N -1.07 0.91 -0.30 4.30 2.12 -1.26 -0.36 118.70 123.04 1jc5 s GLU 40 Ca -0.12 -0.06 0.03 0.00 0.36 0.00 0.00 54.97 55.19 1jc5 s GLU 40 Cb -0.07 -1.06 0.08 0.00 0.26 0.00 0.00 34.13 33.34 1jc5 s GLU 40 CO -0.00 -0.21 -0.02 1.21 -0.54 0.00 0.00 175.26 175.70 1jc5 s ASN 41 N 1.50 4.51 0.20 -1.70 2.47 0.19 -5.00 114.94 117.12 1jc5 s ASN 41 Ca -0.01 -1.73 -0.12 0.00 0.42 0.00 0.00 52.86 51.42 1jc5 s ASN 41 Cb -0.13 -1.51 0.13 0.00 -1.45 0.00 0.00 41.25 38.28 1jc5 s ASN 41 CO -0.04 -0.29 1.86 1.55 -3.72 0.00 0.00 177.10 176.46 1jc5 h PRO 42 N 7.73 0.85 -0.99 0.43 0.13 -1.95 0.13 132.00 138.33 1jc5 h PRO 42 Ca -0.12 -0.05 0.13 0.00 -0.87 0.00 0.00 66.00 65.09 1jc5 h PRO 42 Cb 1.03 -0.19 -0.15 0.00 0.13 0.00 0.00 31.00 31.83 1jc5 h PRO 42 CO 0.48 0.56 -0.46 0.93 -0.23 0.00 0.00 178.00 179.29 1jc5 h GLU 43 N 0.88 -0.01 0.00 0.86 4.39 -1.96 0.21 114.58 118.95 1jc5 h GLU 43 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1jc5 h GLU 43 Cb -0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1jc5 h GLU 43 CO -0.06 -0.00 -0.68 1.04 -1.16 0.00 0.00 179.01 178.15 1jc5 n GLN 44 N -5.39 0.11 -2.94 2.33 6.02 -1.15 -4.98 117.38 111.37 1jc5 n GLN 44 Ca 0.07 0.01 -0.11 0.00 -0.01 0.00 0.00 57.00 56.96 1jc5 n GLN 44 Cb 0.35 -1.55 0.04 0.00 1.02 0.00 0.00 30.24 30.11 1jc5 n GLN 44 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jc5 n GLY 45 N 1.45 0.10 3.06 1.08 0.00 0.41 -4.22 105.19 107.07 1jc5 n GLY 45 Ca 0.04 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 1jc5 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jc5 s VAL 46 N -3.18 0.58 -0.08 1.61 1.01 -0.92 -2.56 120.40 116.88 1jc5 s VAL 46 Ca 0.17 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1jc5 s VAL 46 Cb -0.08 -0.62 -0.00 0.00 0.00 0.00 0.00 36.38 35.68 1jc5 s VAL 46 CO 0.38 -0.30 -0.22 0.54 0.00 0.00 0.00 175.10 175.50 1jc5 s VAL 47 N -1.22 1.84 0.03 2.92 0.11 -0.78 -0.63 120.40 122.67 1jc5 s VAL 47 Ca -0.08 -0.92 0.06 0.00 -2.93 0.00 0.00 61.98 58.12 1jc5 s VAL 47 Cb -0.09 -1.59 -0.02 0.00 -1.53 0.00 0.00 36.38 33.15 1jc5 s VAL 47 CO 0.00 0.51 -0.18 -1.61 -3.33 0.00 0.00 175.10 170.50 1jc5 s GLU 48 N 0.20 1.24 -0.05 1.54 2.02 0.52 -2.15 118.70 122.02 1jc5 s GLU 48 Ca -0.12 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.06 1jc5 s GLU 48 Cb -0.16 -1.29 0.02 0.00 0.10 0.00 0.00 34.13 32.81 1jc5 s GLU 48 CO 0.06 0.33 -0.02 0.42 0.02 0.00 0.00 175.26 176.07 1jc5 s ILE 49 N -0.73 0.37 -0.38 -1.63 1.01 -0.28 -0.72 121.20 118.83 1jc5 s ILE 49 Ca 0.05 0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.53 1jc5 s ILE 49 Cb -0.08 -0.45 0.01 0.00 0.01 0.00 0.00 42.46 41.95 1jc5 s ILE 49 CO 0.01 0.21 0.52 -0.04 0.00 0.00 0.00 174.94 175.64 1jc5 s MET 50 N 1.22 3.44 -0.11 2.79 -1.94 -0.26 -0.35 119.30 124.10 1jc5 s MET 50 Ca -0.07 -0.33 -0.01 0.00 -1.71 0.00 0.00 55.69 53.57 1jc5 s MET 50 Cb -0.14 -3.87 -0.03 0.00 2.01 0.00 0.00 34.83 32.81 1jc5 s MET 50 CO -0.02 -0.76 -0.05 -1.64 -0.01 0.00 0.00 175.02 172.54 1jc5 s MET 51 N 2.42 3.16 0.14 2.03 -1.94 0.14 -0.52 119.30 124.73 1jc5 s MET 51 Ca 0.18 -0.53 0.07 0.00 -1.71 0.00 0.00 55.69 53.70 1jc5 s MET 51 Cb -0.15 -2.73 -0.04 0.00 2.01 0.00 0.00 34.83 33.91 1jc5 s MET 51 CO 0.15 0.48 -0.16 0.00 -0.01 0.00 0.00 175.02 175.47 1jc5 s ALA 52 N -0.30 1.70 -0.61 3.03 0.00 -0.44 -0.09 121.76 125.06 1jc5 s ALA 52 Ca 0.05 -1.36 0.25 0.00 0.00 0.00 0.00 51.96 50.90 1jc5 s ALA 52 Cb -0.13 -0.13 0.85 0.00 0.00 0.00 0.00 23.12 23.72 1jc5 s ALA 52 CO 0.02 0.17 1.76 -1.00 0.00 0.00 0.00 175.76 176.71 1jc5 h PRO 53 N 3.46 0.00 -5.30 0.00 0.13 -1.86 0.53 132.00 128.96 1jc5 h PRO 53 Ca -0.41 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.25 1jc5 h PRO 53 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 1jc5 h PRO 53 CO 0.50 0.00 -0.63 0.00 -0.23 0.00 0.00 178.00 177.64 1jc5 s ALA 54 N -3.19 2.33 0.02 -0.56 0.00 -1.26 -4.68 121.76 114.41 1jc5 s ALA 54 Ca 0.08 -2.00 -0.21 0.00 0.00 0.00 0.00 51.96 49.83 1jc5 s ALA 54 Cb 0.11 0.50 -0.17 0.00 0.00 0.00 0.00 23.12 23.56 1jc5 s ALA 54 CO 0.54 -0.23 1.27 0.00 0.00 0.00 0.00 175.76 177.34 1jc5 h ALA 55 N 2.18 0.16 -3.10 0.00 0.00 -1.95 -3.42 119.26 113.13 1jc5 h ALA 55 Ca -0.40 -0.35 -0.67 0.00 0.00 0.00 0.00 54.91 53.48 1jc5 h ALA 55 Cb 1.24 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 1jc5 h ALA 55 CO 0.69 0.07 -0.58 0.15 0.00 0.00 0.00 179.25 179.59 1jc5 s LYS 56 N -4.06 3.11 0.24 0.00 -0.14 -1.26 -5.03 119.74 112.60 1jc5 s LYS 56 Ca -0.15 -0.37 -0.20 0.00 -1.36 0.00 0.00 55.97 53.90 1jc5 s LYS 56 Cb 0.04 -2.90 -0.09 0.00 -1.68 0.00 0.00 37.83 33.20 1jc5 s LYS 56 CO 0.75 0.70 0.75 -0.51 -0.76 0.00 0.00 175.35 176.29 1jc5 s LEU 57 N -1.17 4.31 0.16 3.17 1.43 -1.26 -5.03 118.68 120.30 1jc5 s LEU 57 Ca 0.16 1.46 -0.00 0.00 -1.03 0.00 0.00 54.13 54.72 1jc5 s LEU 57 Cb -0.12 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 1jc5 s LEU 57 CO 0.06 -0.00 0.34 0.42 0.23 0.00 0.00 176.35 177.40 1jc5 s THR 58 N -1.58 5.25 0.14 5.49 -4.23 -1.26 -4.98 115.64 114.47 1jc5 s THR 58 Ca 0.45 -0.38 -0.12 0.00 -1.18 0.00 0.00 61.69 60.46 1jc5 s THR 58 Cb -0.16 -3.71 0.14 0.00 1.34 0.00 0.00 72.50 70.11 1jc5 s THR 58 CO 0.21 -0.09 1.00 1.21 -0.54 0.00 0.00 174.62 176.41 1jc5 n GLU 59 N -0.41 -0.16 -0.89 3.99 2.13 -1.26 -0.65 120.64 123.39 1jc5 n GLU 59 Ca -0.05 0.99 -0.02 0.00 0.66 0.00 0.00 57.16 58.75 1jc5 n GLU 59 Cb 0.53 -1.47 0.30 0.00 0.27 0.00 0.00 31.44 31.08 1jc5 n GLU 59 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1jc5 n HIS 60 N -4.94 2.04 -2.59 4.31 8.25 -1.26 -4.99 115.22 116.05 1jc5 n HIS 60 Ca 0.06 -1.12 -0.42 0.00 -0.26 0.00 0.00 57.72 55.98 1jc5 n HIS 60 Cb 0.25 -0.59 -0.03 0.00 1.12 0.00 0.00 29.99 30.75 1jc5 n HIS 60 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1jc5 s MET 61 N -2.96 4.38 0.24 -0.41 0.00 0.18 -4.83 119.30 115.89 1jc5 s MET 61 Ca 0.52 1.51 -0.23 0.00 0.00 0.00 0.00 55.69 57.49 1jc5 s MET 61 Cb 0.42 -3.56 -0.09 0.00 0.00 0.00 0.00 34.83 31.61 1jc5 s MET 61 CO 0.12 -0.39 0.81 0.99 0.00 0.00 0.00 175.02 176.55 1jc5 s THR 62 N 2.17 4.40 0.37 10.11 2.01 -1.26 -4.82 115.64 128.61 1jc5 s THR 62 Ca 0.51 1.57 0.08 0.00 0.31 0.00 0.00 61.69 64.17 1jc5 s THR 62 Cb -0.21 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 1jc5 s THR 62 CO 0.19 0.27 0.18 -1.10 -0.69 0.00 0.00 174.62 173.47 1jc5 s GLN 63 N -1.78 2.33 -0.19 4.92 -0.21 -1.04 -4.72 119.66 118.97 1jc5 s GLN 63 Ca 0.43 -1.65 -0.04 0.00 0.02 0.00 0.00 55.36 54.13 1jc5 s GLN 63 Cb -0.19 -2.13 -0.02 0.00 1.00 0.00 0.00 33.01 31.67 1jc5 s GLN 63 CO 0.23 0.01 -0.02 0.08 -2.12 0.00 0.00 175.29 173.47 1jc5 s VAL 64 N -2.49 3.81 -0.41 1.09 1.01 0.88 -1.37 120.40 122.92 1jc5 s VAL 64 Ca 0.40 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 1jc5 s VAL 64 Cb -0.01 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.72 1jc5 s VAL 64 CO 0.23 0.45 0.26 -1.58 0.00 0.00 0.00 175.10 174.46 1jc5 s GLN 65 N 0.88 2.78 -0.20 2.72 0.74 0.12 -0.68 119.66 126.02 1jc5 s GLN 65 Ca 0.00 -1.25 -0.29 0.00 0.05 0.00 0.00 55.36 53.87 1jc5 s GLN 65 Cb -0.14 -3.83 0.00 0.00 1.10 0.00 0.00 33.01 30.14 1jc5 s GLN 65 CO 0.02 -0.85 1.03 0.08 -0.55 0.00 0.00 175.29 175.02 1jc5 s VAL 66 N 1.53 4.71 0.13 1.34 1.01 0.53 -0.57 120.40 129.08 1jc5 s VAL 66 Ca 0.03 2.03 0.06 0.00 0.00 0.00 0.00 61.98 64.10 1jc5 s VAL 66 Cb -0.21 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 1jc5 s VAL 66 CO 0.05 -0.13 0.01 -0.04 0.00 0.00 0.00 175.10 174.99 1jc5 s MET 67 N 2.88 2.51 -0.28 2.72 1.00 0.90 -1.13 119.30 127.90 1jc5 s MET 67 Ca 0.45 -0.95 -0.23 0.00 0.00 0.00 0.00 55.69 54.96 1jc5 s MET 67 Cb -0.16 -2.47 0.10 0.00 0.00 0.00 0.00 34.83 32.30 1jc5 s MET 67 CO 0.09 0.50 0.85 0.00 0.00 0.00 0.00 175.02 176.46 1jc5 s ALA 68 N -1.52 -1.91 0.45 3.03 0.00 -0.91 -0.93 121.76 119.96 1jc5 s ALA 68 Ca 0.27 2.06 -0.23 0.00 0.00 0.00 0.00 51.96 54.05 1jc5 s ALA 68 Cb -0.11 -1.36 -0.08 0.00 0.00 0.00 0.00 23.12 21.58 1jc5 s ALA 68 CO 0.19 -0.31 1.15 -1.25 0.00 0.00 0.00 175.76 175.54 1jc5 s PRO 69 N 0.61 3.84 -0.01 0.00 0.04 -1.26 -1.87 135.00 136.36 1jc5 s PRO 69 Ca -0.01 1.74 0.22 0.00 0.04 0.00 0.00 61.00 62.98 1jc5 s PRO 69 Cb -0.05 -2.45 -0.27 0.00 0.04 0.00 0.00 34.50 31.77 1jc5 s PRO 69 CO -0.06 -0.47 0.71 1.28 0.04 0.00 0.00 177.00 178.50 1jc5 n LEU 70 N -0.38 0.52 0.00 -3.56 4.32 -1.06 -4.87 117.00 111.98 1jc5 n LEU 70 Ca 0.07 -0.25 -0.07 0.00 -0.02 0.00 0.00 56.01 55.74 1jc5 n LEU 70 Cb 0.48 -0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.29 1jc5 n LEU 70 CO 0.47 0.13 0.31 -0.46 -1.22 0.00 0.00 177.39 176.62 1jc5 n ASN 71 N -1.87 -1.42 -0.88 -1.43 0.23 -1.26 -5.05 115.26 103.57 1jc5 n ASN 71 Ca 0.00 -2.13 0.08 0.00 -0.53 0.00 0.00 54.58 52.01 1jc5 n ASN 71 Cb 0.45 2.41 0.22 0.00 -2.08 0.00 0.00 39.78 40.78 1jc5 n ASN 71 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1jc5 n ASP 72 N -1.45 2.56 -0.43 0.53 8.00 -1.26 -3.72 116.55 120.77 1jc5 n ASP 72 Ca -0.05 -1.98 0.08 0.00 0.71 0.00 0.00 54.79 53.55 1jc5 n ASP 72 Cb 0.40 -0.31 0.02 0.00 -0.02 0.00 0.00 41.12 41.21 1jc5 n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jc5 n GLU 73 N 0.90 1.59 -2.38 -1.24 4.71 -1.26 -4.74 120.64 118.23 1jc5 n GLU 73 Ca 0.16 -0.98 -0.38 0.00 -0.01 0.00 0.00 57.16 55.95 1jc5 n GLU 73 Cb 0.41 -1.27 -0.03 0.00 -1.01 0.00 0.00 31.44 29.54 1jc5 n GLU 73 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1jc5 s SER 74 N -1.71 6.71 0.42 1.62 1.04 -1.24 -4.92 113.70 115.62 1jc5 s SER 74 Ca 0.15 2.27 0.13 0.00 0.48 0.00 0.00 55.95 58.97 1jc5 s SER 74 Cb 0.13 -2.61 0.99 0.00 0.10 0.00 0.00 66.02 64.62 1jc5 s SER 74 CO 0.34 -0.54 1.97 0.71 0.98 0.00 0.00 173.24 176.70 1jc5 h THR 75 N 2.44 0.91 -0.13 2.02 1.35 -1.86 -0.72 112.91 116.92 1jc5 h THR 75 Ca -0.48 -0.16 -0.12 0.00 -0.55 0.00 0.00 66.41 65.10 1jc5 h THR 75 Cb 1.23 0.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 1jc5 h THR 75 CO 0.63 0.08 -0.45 0.58 -0.25 0.00 0.00 175.52 176.12 1jc5 h VAL 76 N 0.46 1.32 -0.21 6.82 2.07 -1.89 -2.28 116.25 122.54 1jc5 h VAL 76 Ca 0.29 -1.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.15 1jc5 h VAL 76 Cb 0.52 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1jc5 h VAL 76 CO -0.09 0.49 -0.01 0.00 0.02 0.00 0.00 177.57 177.99 1jc5 h ALA 77 N 1.26 0.29 0.03 1.67 0.00 -1.41 -1.77 119.26 119.33 1jc5 h ALA 77 Ca 0.02 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1jc5 h ALA 77 Cb 0.90 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1jc5 h ALA 77 CO 0.07 0.02 -0.21 0.87 0.00 0.00 0.00 179.25 180.00 1jc5 h LYS 78 N 0.14 -0.34 -0.24 0.00 1.57 -1.39 -0.78 116.57 115.52 1jc5 h LYS 78 Ca 0.06 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.92 1jc5 h LYS 78 Cb 0.42 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.73 1jc5 h LYS 78 CO 0.01 -0.23 -0.33 2.35 -0.57 0.00 0.00 179.45 180.68 1jc5 h TRP 79 N -0.36 -0.92 -0.96 -1.35 7.01 -1.33 0.65 115.95 118.69 1jc5 h TRP 79 Ca 0.05 0.05 0.21 0.00 2.11 0.00 0.00 58.89 61.30 1jc5 h TRP 79 Cb 0.42 0.44 -0.11 0.00 -2.10 0.00 0.00 29.16 27.81 1jc5 h TRP 79 CO -0.24 -0.40 0.54 -0.07 -2.79 0.00 0.00 178.44 175.49 1jc5 h LEU 80 N -0.34 0.64 -0.13 0.65 3.38 -0.87 0.31 115.31 118.94 1jc5 h LEU 80 Ca 0.12 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1jc5 h LEU 80 Cb 0.55 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1jc5 h LEU 80 CO -0.43 0.17 0.01 0.00 0.09 0.00 0.00 178.44 178.28 1jc5 h ALA 81 N 1.67 0.17 -0.85 1.53 0.00 0.85 0.69 119.26 123.32 1jc5 h ALA 81 Ca 0.58 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.45 1jc5 h ALA 81 Cb 1.00 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1jc5 h ALA 81 CO -0.43 -0.16 0.55 -0.22 0.00 0.00 0.00 179.25 178.99 1jc5 h LYS 82 N -0.02 0.69 -1.04 0.00 3.64 0.35 0.35 116.57 120.54 1jc5 h LYS 82 Ca 0.04 -0.04 -0.44 0.00 -1.27 0.00 0.00 60.65 58.94 1jc5 h LYS 82 Cb 0.32 -0.16 -0.24 0.00 -0.41 0.00 0.00 32.23 31.74 1jc5 h LYS 82 CO 0.00 0.46 0.56 0.72 -2.27 0.00 0.00 179.45 178.92 1jc5 n HIS 83 N -4.54 2.45 -3.71 1.91 8.25 0.73 -4.92 115.22 115.40 1jc5 n HIS 83 Ca 0.16 -1.79 -0.31 0.00 -0.26 0.00 0.00 57.72 55.52 1jc5 n HIS 83 Cb 0.41 -0.90 0.03 0.00 1.12 0.00 0.00 29.99 30.65 1jc5 n HIS 83 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jc5 n ASN 84 N -0.72 -5.29 0.00 0.41 3.02 0.12 -1.48 115.26 111.33 1jc5 n ASN 84 Ca 0.48 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1jc5 n ASN 84 Cb 1.26 -3.03 0.00 0.00 -0.61 0.00 0.00 39.78 37.40 1jc5 n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jc5 n GLY 85 N -1.75 0.00 3.58 7.41 0.00 0.24 -4.88 105.19 109.79 1jc5 n GLY 85 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1jc5 n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jc5 s ARG 86 N -1.18 3.82 0.85 1.61 0.52 -0.55 -4.99 118.95 119.04 1jc5 s ARG 86 Ca 0.00 0.03 -0.10 0.00 -0.52 0.00 0.00 55.73 55.13 1jc5 s ARG 86 Cb 0.00 -3.74 0.10 0.00 0.52 0.00 0.00 34.95 31.84 1jc5 s ARG 86 CO 0.00 -0.50 1.12 0.00 0.02 0.00 0.00 175.30 175.94 1jc5 s ALA 87 N 2.34 1.83 0.00 2.13 0.00 -1.26 -4.81 121.76 121.98 1jc5 s ALA 87 Ca 0.19 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1jc5 s ALA 87 Cb -0.15 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1jc5 s ALA 87 CO 0.12 -2.31 0.00 0.41 0.00 0.00 0.00 175.76 173.97 1jc5 n GLY 88 N -0.40 1.32 3.61 0.00 0.00 -1.00 -5.00 105.19 103.73 1jc5 n GLY 88 Ca 0.11 -0.84 -0.55 0.00 0.00 0.00 0.00 46.02 44.74 1jc5 n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jc5 n LEU 89 N 0.00 1.64 -0.14 0.99 4.77 -1.26 -2.06 117.00 120.93 1jc5 n LEU 89 Ca 0.00 1.11 -0.29 0.00 -0.03 0.00 0.00 56.01 56.80 1jc5 n LEU 89 Cb 0.00 -1.14 -0.10 0.00 -2.33 0.00 0.00 43.42 39.85 1jc5 n LEU 89 CO 0.00 -0.98 -1.45 1.57 -1.33 0.00 0.00 177.39 175.20 1jc5 n HIS 90 N 3.13 0.00 -3.83 -1.77 -0.00 0.52 -4.83 115.22 108.44 1jc5 n HIS 90 Ca 0.21 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.86 1jc5 n HIS 90 Cb 0.16 -1.00 0.01 0.00 -0.00 0.00 0.00 29.99 29.16 1jc5 n HIS 90 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1jc5 s HIS 91 N -2.51 0.03 -0.03 1.57 -3.43 -1.12 -4.70 115.29 105.10 1jc5 s HIS 91 Ca -0.39 -0.55 0.08 0.00 -0.80 0.00 0.00 55.06 53.40 1jc5 s HIS 91 Cb 0.15 0.76 -0.02 0.00 -1.43 0.00 0.00 32.58 32.04 1jc5 s HIS 91 CO 0.49 -1.26 -0.25 1.41 -2.00 0.00 0.00 174.74 173.13 1jc5 s MET 92 N -2.66 2.15 -0.08 -0.38 1.75 -1.22 0.49 119.30 119.36 1jc5 s MET 92 Ca 0.16 -0.91 0.04 0.00 -1.25 0.00 0.00 55.69 53.73 1jc5 s MET 92 Cb -0.04 -2.03 -0.00 0.00 2.84 0.00 0.00 34.83 35.60 1jc5 s MET 92 CO 0.08 0.52 -0.22 0.00 -0.65 0.00 0.00 175.02 174.75 1jc5 s ALA 93 N -0.53 2.01 -0.16 4.11 0.00 0.26 -0.31 121.76 127.15 1jc5 s ALA 93 Ca 0.08 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 1jc5 s ALA 93 Cb -0.10 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 1jc5 s ALA 93 CO -0.00 0.31 -0.04 -1.58 0.00 0.00 0.00 175.76 174.44 1jc5 s TRP 94 N 0.20 3.01 0.23 0.00 0.51 0.16 0.34 118.94 123.39 1jc5 s TRP 94 Ca -0.13 -0.35 -0.30 0.00 -2.12 0.00 0.00 56.10 53.21 1jc5 s TRP 94 Cb -0.16 -1.96 -0.09 0.00 -0.81 0.00 0.00 33.47 30.45 1jc5 s TRP 94 CO 0.06 -0.07 0.97 0.50 -0.51 0.00 0.00 176.95 177.91 1jc5 s ARG 95 N 0.42 4.80 0.09 4.98 3.52 -0.03 -0.89 118.95 131.84 1jc5 s ARG 95 Ca -0.04 1.55 0.04 0.00 -0.13 0.00 0.00 55.73 57.14 1jc5 s ARG 95 Cb -0.14 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 1jc5 s ARG 95 CO 0.03 0.43 -0.10 0.14 -0.81 0.00 0.00 175.30 174.99 1jc5 s VAL 96 N -1.05 0.93 0.09 7.11 -7.23 0.59 -0.91 120.40 119.93 1jc5 s VAL 96 Ca 0.42 -1.59 0.02 0.00 -1.81 0.00 0.00 61.98 59.02 1jc5 s VAL 96 Cb -0.27 -1.30 -0.25 0.00 0.56 0.00 0.00 36.38 35.13 1jc5 s VAL 96 CO 0.33 -0.53 1.18 -0.78 -0.31 0.00 0.00 175.10 174.99 1jc5 h ASP 97 N 3.66 0.21 -2.53 4.85 3.58 -1.86 -3.39 116.42 120.93 1jc5 h ASP 97 Ca -0.37 -0.23 -0.46 0.00 0.42 0.00 0.00 57.03 56.39 1jc5 h ASP 97 Cb 1.19 -0.07 -0.37 0.00 1.72 0.00 0.00 39.33 41.80 1jc5 h ASP 97 CO 0.51 1.18 -0.73 -0.62 -2.88 0.00 0.00 179.24 176.70 1jc5 s ASP 98 N -6.90 2.80 0.30 2.28 -1.08 -1.26 -4.90 116.67 107.91 1jc5 s ASP 98 Ca -0.02 -1.14 0.00 0.00 -0.52 0.00 0.00 52.55 50.87 1jc5 s ASP 98 Cb 0.08 -0.02 0.46 0.00 -1.46 0.00 0.00 42.92 41.99 1jc5 s ASP 98 CO 0.85 -0.41 1.87 -0.29 0.52 0.00 0.00 175.17 177.70 1jc5 h ILE 99 N 6.27 1.21 -0.19 4.11 2.10 -1.94 -1.06 117.51 128.01 1jc5 h ILE 99 Ca -0.16 -0.71 -0.01 0.00 1.08 0.00 0.00 64.86 65.06 1jc5 h ILE 99 Cb 1.03 0.61 -0.01 0.00 -1.09 0.00 0.00 36.82 37.37 1jc5 h ILE 99 CO 0.39 0.27 0.10 0.44 -1.08 0.00 0.00 178.15 178.27 1jc5 h ASP 100 N 0.78 0.25 -0.10 2.19 3.32 -1.99 0.61 116.42 121.49 1jc5 h ASP 100 Ca 0.18 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1jc5 h ASP 100 Cb 0.22 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 1jc5 h ASP 100 CO -0.01 0.30 -0.00 0.00 -1.72 0.00 0.00 179.24 177.81 1jc5 h ALA 101 N 0.96 0.13 -0.79 3.45 0.00 -1.95 -1.16 119.26 119.91 1jc5 h ALA 101 Ca 0.07 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1jc5 h ALA 101 Cb 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1jc5 h ALA 101 CO -0.01 -0.18 0.52 0.28 0.00 0.00 0.00 179.25 179.86 1jc5 h VAL 102 N -0.11 1.15 -0.27 0.00 2.07 -1.17 -0.72 116.25 117.20 1jc5 h VAL 102 Ca 0.03 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1jc5 h VAL 102 Cb 0.36 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1jc5 h VAL 102 CO 0.01 0.18 0.01 0.28 0.02 0.00 0.00 177.57 178.07 1jc5 h SER 103 N 1.00 0.45 -0.13 0.57 0.02 -0.67 -0.73 113.55 114.06 1jc5 h SER 103 Ca 0.31 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1jc5 h SER 103 Cb -0.01 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1jc5 h SER 103 CO -0.08 0.63 -0.02 0.00 -1.14 0.00 0.00 176.83 176.23 1jc5 h ALA 104 N 0.83 0.10 -0.20 3.77 0.00 -0.66 -1.51 119.26 121.59 1jc5 h ALA 104 Ca 0.08 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1jc5 h ALA 104 Cb 0.39 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1jc5 h ALA 104 CO 0.01 -0.47 0.03 1.15 0.00 0.00 0.00 179.25 179.98 1jc5 h THR 105 N 0.02 0.90 -0.98 0.00 2.02 -1.03 -2.55 112.91 111.29 1jc5 h THR 105 Ca 0.06 -0.04 0.08 0.00 0.77 0.00 0.00 66.41 67.28 1jc5 h THR 105 Cb 0.09 0.78 -0.07 0.00 -1.74 0.00 0.00 68.15 67.21 1jc5 h THR 105 CO -0.12 0.02 0.63 -0.07 0.37 0.00 0.00 175.52 176.35 1jc5 h LEU 106 N 0.11 0.99 -0.90 2.58 3.38 -0.90 -2.20 115.31 118.37 1jc5 h LEU 106 Ca 0.09 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1jc5 h LEU 106 Cb 0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1jc5 h LEU 106 CO -0.13 0.61 0.01 0.03 0.09 0.00 0.00 178.44 179.06 1jc5 h ARG 107 N 1.11 0.83 0.00 1.13 3.08 -0.92 -1.35 114.38 118.26 1jc5 h ARG 107 Ca 0.44 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 1jc5 h ARG 107 Cb 0.24 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1jc5 h ARG 107 CO -0.19 0.82 -0.14 0.93 -1.07 0.00 0.00 179.97 180.32 1jc5 h GLU 108 N 0.77 0.00 -0.38 0.04 5.08 -1.01 -0.92 114.58 118.16 1jc5 h GLU 108 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1jc5 h GLU 108 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1jc5 h GLU 108 CO 0.02 0.14 0.00 0.54 -1.00 0.00 0.00 179.01 178.71 1jc5 n ARG 109 N -4.21 1.88 -0.52 2.33 1.74 -0.85 -4.91 116.66 112.13 1jc5 n ARG 109 Ca -0.02 -1.32 0.00 0.00 -0.77 0.00 0.00 57.85 55.73 1jc5 n ARG 109 Cb 0.21 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1jc5 n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jc5 n GLY 110 N 1.05 0.73 3.77 -0.13 0.00 -0.35 -5.07 105.19 105.19 1jc5 n GLY 110 Ca 0.12 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1jc5 n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jc5 s VAL 111 N -2.00 4.16 -0.17 1.61 1.01 -0.57 -4.99 120.40 119.45 1jc5 s VAL 111 Ca 0.00 1.93 -0.07 0.00 0.00 0.00 0.00 61.98 63.85 1jc5 s VAL 111 Cb 0.00 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1jc5 s VAL 111 CO 0.00 0.36 0.04 -1.10 0.00 0.00 0.00 175.10 174.40 1jc5 s GLN 112 N -1.53 3.89 0.01 2.72 -1.52 -1.26 -4.33 119.66 117.64 1jc5 s GLN 112 Ca 0.44 -0.38 0.03 0.00 -1.95 0.00 0.00 55.36 53.51 1jc5 s GLN 112 Cb -0.23 -3.14 -0.03 0.00 -0.22 0.00 0.00 33.01 29.39 1jc5 s GLN 112 CO 0.28 0.28 -0.07 -0.51 -0.25 0.00 0.00 175.29 175.02 1jc5 s LEU 113 N 0.32 3.15 0.16 2.90 1.43 -1.26 -0.39 118.68 124.99 1jc5 s LEU 113 Ca 0.02 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 52.81 1jc5 s LEU 113 Cb -0.13 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.32 1jc5 s LEU 113 CO 0.01 0.28 1.82 0.25 0.23 0.00 0.00 176.35 178.94 1jc5 h LEU 114 N 4.48 0.52 -9.20 1.79 6.46 -1.46 -3.43 115.31 114.47 1jc5 h LEU 114 Ca -0.48 -0.01 -0.67 0.00 -0.12 0.00 0.00 57.88 56.59 1jc5 h LEU 114 Cb 1.17 -0.13 -0.17 0.00 -0.73 0.00 0.00 40.66 40.80 1jc5 h LEU 114 CO 0.53 0.38 -0.71 -0.31 -0.62 0.00 0.00 178.44 177.71 1jc5 s TYR 115 N -6.16 2.85 0.26 1.25 2.02 -1.26 -5.00 117.35 111.32 1jc5 s TYR 115 Ca -0.13 -0.06 0.04 0.00 -0.37 0.00 0.00 57.07 56.55 1jc5 s TYR 115 Cb 0.12 -1.58 0.35 0.00 -0.40 0.00 0.00 41.96 40.44 1jc5 s TYR 115 CO 0.73 0.37 1.64 -0.44 -1.57 0.00 0.00 175.55 176.28 1jc5 h ASP 116 N 4.41 0.34 -4.27 2.29 5.19 -2.01 -3.44 116.42 118.93 1jc5 h ASP 116 Ca -0.48 -0.16 -0.52 0.00 -0.62 0.00 0.00 57.03 55.25 1jc5 h ASP 116 Cb 1.17 -0.10 -0.22 0.00 0.18 0.00 0.00 39.33 40.36 1jc5 h ASP 116 CO 0.53 0.75 -0.81 -0.70 -3.12 0.00 0.00 179.24 175.89 1jc5 s GLU 117 N -4.08 1.06 0.45 3.56 2.56 -1.26 -5.12 118.70 115.87 1jc5 s GLU 117 Ca -0.05 -1.06 -0.25 0.00 0.00 0.00 0.00 54.97 53.61 1jc5 s GLU 117 Cb 0.13 -1.23 -0.09 0.00 2.00 0.00 0.00 34.13 34.94 1jc5 s GLU 117 CO 0.79 0.29 1.30 -2.30 -0.56 0.00 0.00 175.26 174.78 1jc5 n PRO 118 N 1.25 1.93 -3.58 4.30 -0.02 -1.26 -4.96 135.00 132.67 1jc5 n PRO 118 Ca -0.20 0.69 -0.20 0.00 -2.02 0.00 0.00 63.50 61.78 1jc5 n PRO 118 Cb 0.54 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 1jc5 n PRO 118 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1jc5 s LYS 119 N -2.36 3.07 -0.20 -0.52 3.01 0.10 -4.82 119.74 118.02 1jc5 s LYS 119 Ca 0.63 -1.05 -0.20 0.00 -1.01 0.00 0.00 55.97 54.34 1jc5 s LYS 119 Cb -0.48 -2.76 -0.03 0.00 -1.01 0.00 0.00 37.83 33.56 1jc5 s LYS 119 CO 0.56 0.10 0.61 -1.17 0.51 0.00 0.00 175.35 175.97 1jc5 s LEU 120 N -4.12 4.14 0.00 3.17 2.96 -1.26 -0.19 118.68 123.38 1jc5 s LEU 120 Ca 0.43 0.80 0.00 0.00 -0.22 0.00 0.00 54.13 55.14 1jc5 s LEU 120 Cb -0.09 -2.86 0.00 0.00 0.50 0.00 0.00 46.19 43.74 1jc5 s LEU 120 CO 0.30 -0.26 0.00 0.61 -1.32 0.00 0.00 176.35 175.68 1jc5 n GLY 121 N 3.83 2.42 3.77 7.98 0.00 0.29 -4.90 105.19 118.57 1jc5 n GLY 121 Ca -0.02 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 1jc5 n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jc5 s THR 122 N 1.83 3.51 0.00 2.61 -4.23 -1.26 -2.99 115.64 115.11 1jc5 s THR 122 Ca 0.00 1.41 0.00 0.00 -1.18 0.00 0.00 61.69 61.92 1jc5 s THR 122 Cb 0.00 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.99 1jc5 s THR 122 CO 0.00 0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 1jc5 n GLY 123 N 0.93 0.50 0.31 3.99 0.00 -1.26 -2.62 105.19 107.05 1jc5 n GLY 123 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1jc5 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jc5 n GLY 124 N -1.83 0.88 3.76 -0.02 0.00 -1.16 -4.78 105.19 102.04 1jc5 n GLY 124 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1jc5 n GLY 124 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jc5 s ASN 125 N -2.14 4.90 -0.16 1.61 0.02 -1.08 -4.08 114.94 114.03 1jc5 s ASN 125 Ca 0.00 2.11 -0.06 0.00 -1.02 0.00 0.00 52.86 53.89 1jc5 s ASN 125 Cb 0.00 -2.56 -0.04 0.00 0.02 0.00 0.00 41.25 38.67 1jc5 s ASN 125 CO 0.00 -1.77 0.03 -0.13 0.02 0.00 0.00 177.10 175.25 1jc5 s ARG 126 N -3.99 3.75 0.21 -0.60 0.52 -0.69 0.11 118.95 118.26 1jc5 s ARG 126 Ca 0.69 -0.39 0.01 0.00 -0.52 0.00 0.00 55.73 55.52 1jc5 s ARG 126 Cb -0.23 -3.07 -0.05 0.00 0.52 0.00 0.00 34.95 32.12 1jc5 s ARG 126 CO 0.41 0.34 0.07 0.96 0.02 0.00 0.00 175.30 177.10 1jc5 s ILE 127 N 0.16 0.45 0.13 1.52 -4.36 0.74 -1.57 121.20 118.27 1jc5 s ILE 127 Ca 0.03 -1.99 -0.26 0.00 -0.26 0.00 0.00 60.65 58.17 1jc5 s ILE 127 Cb -0.13 -2.40 0.07 0.00 1.25 0.00 0.00 42.46 41.25 1jc5 s ILE 127 CO 0.01 -0.19 0.98 0.21 0.24 0.00 0.00 174.94 176.19 1jc5 s ASN 128 N -3.22 -0.18 0.10 4.36 3.84 -1.12 0.02 114.94 118.73 1jc5 s ASN 128 Ca 0.33 -0.36 0.05 0.00 0.21 0.00 0.00 52.86 53.09 1jc5 s ASN 128 Cb 0.07 0.46 -0.03 0.00 -0.55 0.00 0.00 41.25 41.20 1jc5 s ASN 128 CO 0.09 -0.84 -0.13 -0.36 -2.79 0.00 0.00 177.10 173.07 1jc5 s PHE 129 N -3.21 1.26 -0.49 0.43 0.40 -1.26 -1.04 117.98 114.07 1jc5 s PHE 129 Ca 0.12 -0.54 -0.16 0.00 -0.60 0.00 0.00 56.93 55.76 1jc5 s PHE 129 Cb -0.01 -0.68 0.08 0.00 0.51 0.00 0.00 43.02 42.92 1jc5 s PHE 129 CO 0.01 0.08 0.42 -1.64 0.70 0.00 0.00 175.22 174.80 1jc5 s MET 130 N -2.32 2.99 0.01 0.44 -1.94 0.62 -1.03 119.30 118.07 1jc5 s MET 130 Ca 0.04 -1.40 -0.10 0.00 -1.71 0.00 0.00 55.69 52.52 1jc5 s MET 130 Cb -0.07 -4.16 -0.05 0.00 2.01 0.00 0.00 34.83 32.56 1jc5 s MET 130 CO 0.02 -1.09 0.25 0.72 -0.01 0.00 0.00 175.02 174.91 1jc5 n HIS 131 N 5.26 0.09 -0.31 -0.03 8.25 0.48 -3.42 115.22 125.54 1jc5 n HIS 131 Ca -0.12 0.28 0.28 0.00 -0.26 0.00 0.00 57.72 57.90 1jc5 n HIS 131 Cb 0.43 -0.57 0.52 0.00 1.12 0.00 0.00 29.99 31.49 1jc5 n HIS 131 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1jc5 n PRO 132 N 0.38 -0.06 0.28 -0.41 -0.02 -1.26 0.32 135.00 134.22 1jc5 n PRO 132 Ca 0.05 1.34 0.15 0.00 -2.02 0.00 0.00 63.50 63.03 1jc5 n PRO 132 Cb 0.03 -2.36 0.78 0.00 -0.02 0.00 0.00 33.50 31.94 1jc5 n PRO 132 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1jc5 h LYS 133 N 0.00 0.00 0.11 -0.52 1.79 -1.86 0.45 116.57 116.55 1jc5 h LYS 133 Ca 0.77 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.91 1jc5 h LYS 133 Cb 1.99 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.62 1jc5 h LYS 133 CO -0.77 0.08 -1.76 0.77 -1.08 0.00 0.00 179.45 176.69 1jc5 h SER 134 N 0.00 0.38 0.89 0.86 0.02 0.50 -3.30 113.55 112.90 1jc5 h SER 134 Ca -0.00 -0.87 0.00 0.00 -0.84 0.00 0.00 61.79 60.08 1jc5 h SER 134 Cb 0.35 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1jc5 h SER 134 CO 0.01 1.76 0.00 0.61 -1.14 0.00 0.00 176.83 178.07 1jc5 n GLY 135 N 1.85 -1.35 2.25 -3.77 0.00 -0.11 -4.95 105.19 99.11 1jc5 n GLY 135 Ca -0.30 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.64 1jc5 n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jc5 n LYS 136 N -1.74 -1.37 0.00 1.61 5.02 0.15 -3.95 118.16 117.87 1jc5 n LYS 136 Ca 0.05 1.43 0.00 0.00 -2.02 0.00 0.00 58.31 57.77 1jc5 n LYS 136 Cb 0.29 -3.82 0.00 0.00 -0.02 0.00 0.00 35.03 31.48 1jc5 n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jc5 n GLY 137 N -0.35 2.69 3.38 0.72 0.00 -0.53 -4.95 105.19 106.15 1jc5 n GLY 137 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1jc5 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jc5 s VAL 138 N -1.14 2.33 -0.31 1.61 0.11 -1.25 -5.04 120.40 116.70 1jc5 s VAL 138 Ca 0.00 -1.43 -0.21 0.00 -2.93 0.00 0.00 61.98 57.41 1jc5 s VAL 138 Cb 0.00 -1.96 -0.01 0.00 -1.53 0.00 0.00 36.38 32.89 1jc5 s VAL 138 CO 0.00 0.29 0.66 -0.22 -3.33 0.00 0.00 175.10 172.51 1jc5 s LEU 139 N -1.48 4.14 -0.11 2.54 2.96 -1.26 -3.79 118.68 121.68 1jc5 s LEU 139 Ca 0.13 0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 54.49 1jc5 s LEU 139 Cb -0.10 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.69 1jc5 s LEU 139 CO 0.04 -0.51 -0.04 -0.63 -1.32 0.00 0.00 176.35 173.89 1jc5 s ILE 140 N 2.68 3.90 0.02 6.68 1.01 -1.25 -3.41 121.20 130.83 1jc5 s ILE 140 Ca 0.27 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.54 1jc5 s ILE 140 Cb -0.15 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1jc5 s ILE 140 CO 0.12 0.55 0.08 -0.70 0.00 0.00 0.00 174.94 174.99 1jc5 s GLU 141 N -0.28 3.01 -0.15 2.79 2.12 0.58 -0.28 118.70 126.50 1jc5 s GLU 141 Ca 0.05 -0.55 -0.04 0.00 0.36 0.00 0.00 54.97 54.79 1jc5 s GLU 141 Cb -0.13 -2.81 -0.03 0.00 0.26 0.00 0.00 34.13 31.42 1jc5 s GLU 141 CO 0.02 0.62 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.84 1jc5 s LEU 142 N -1.94 3.38 -0.05 2.70 1.43 -0.20 0.39 118.68 124.38 1jc5 s LEU 142 Ca 0.25 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1jc5 s LEU 142 Cb -0.12 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.31 1jc5 s LEU 142 CO 0.16 0.20 -0.05 -0.89 0.23 0.00 0.00 176.35 176.01 1jc5 s THR 143 N 0.16 0.64 -0.14 5.49 2.01 -0.07 -2.81 115.64 120.92 1jc5 s THR 143 Ca -0.00 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.85 1jc5 s THR 143 Cb -0.13 -0.66 0.00 0.00 0.01 0.00 0.00 72.50 71.72 1jc5 s THR 143 CO 0.02 0.26 -0.19 -1.58 -0.69 0.00 0.00 174.62 172.44 1jc5 s GLN 144 N 1.03 3.14 0.33 4.92 0.74 -0.61 -0.30 119.66 128.92 1jc5 s GLN 144 Ca -0.09 -0.80 -0.28 0.00 0.05 0.00 0.00 55.36 54.24 1jc5 s GLN 144 Cb -0.14 -2.51 -0.10 0.00 1.10 0.00 0.00 33.01 31.36 1jc5 s GLN 144 CO -0.00 0.05 1.21 0.71 -0.55 0.00 0.00 175.29 176.71 1jc5 s TYR 145 N 0.69 3.24 -0.01 1.67 1.51 -1.26 -1.71 117.35 121.47 1jc5 s TYR 145 Ca -0.09 1.54 -0.30 0.00 -1.01 0.00 0.00 57.07 57.21 1jc5 s TYR 145 Cb -0.16 -3.49 -0.07 0.00 -0.11 0.00 0.00 41.96 38.13 1jc5 s TYR 145 CO 0.01 -1.31 1.77 -1.25 -1.11 0.00 0.00 175.55 173.66 1jc5 s PRO 146 N -1.76 4.17 0.00 -1.71 0.04 -1.26 -4.88 135.00 129.60 1jc5 s PRO 146 Ca 0.49 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.88 1jc5 s PRO 146 Cb -0.36 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.16 1jc5 s PRO 146 CO 0.46 -0.88 0.00 1.63 0.04 0.00 0.00 177.00 178.26