#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkz s LYS 6 N 0.00 1.49 -0.29 -0.67 1.02 -1.26 -4.51 119.74 115.51 2jkz s LYS 6 Ca 0.00 -1.67 -0.03 0.00 0.02 0.00 0.00 55.97 54.29 2jkz s LYS 6 Cb 0.00 -1.44 0.04 0.00 -0.52 0.00 0.00 37.83 35.91 2jkz s LYS 6 CO 0.00 0.26 0.02 -0.65 -0.92 0.00 0.00 175.35 174.05 2jkz s GLN 7 N -3.55 2.66 -0.15 1.68 -1.52 -0.47 -5.00 119.66 113.30 2jkz s GLN 7 Ca 0.26 -1.12 -0.23 0.00 -1.95 0.00 0.00 55.36 52.32 2jkz s GLN 7 Cb -0.03 -3.22 -0.02 0.00 -0.22 0.00 0.00 33.01 29.52 2jkz s GLN 7 CO 0.11 -0.55 0.74 0.71 -0.25 0.00 0.00 175.29 176.04 2jkz s TYR 8 N 1.34 3.44 -0.18 0.91 2.02 -1.26 -0.99 117.35 122.63 2jkz s TYR 8 Ca -0.02 1.15 -0.04 0.00 -0.37 0.00 0.00 57.07 57.78 2jkz s TYR 8 Cb -0.19 -2.90 -0.03 0.00 -0.40 0.00 0.00 41.96 38.45 2jkz s TYR 8 CO -0.01 -0.14 -0.02 0.42 -1.57 0.00 0.00 175.55 174.23 2jkz s ILE 9 N 1.76 3.94 0.49 2.71 -1.09 -0.68 -4.20 121.20 124.13 2jkz s ILE 9 Ca 0.35 -0.33 -0.07 0.00 -2.23 0.00 0.00 60.65 58.37 2jkz s ILE 9 Cb -0.17 -2.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 2jkz s ILE 9 CO 0.13 0.47 0.82 -0.94 -1.23 0.00 0.00 174.94 174.19 2jkz s SER 10 N 0.63 6.30 0.09 3.58 1.04 -1.17 -2.75 113.70 121.42 2jkz s SER 10 Ca -0.01 1.03 -0.28 0.00 0.48 0.00 0.00 55.95 57.17 2jkz s SER 10 Cb -0.14 -2.29 -0.13 0.00 0.10 0.00 0.00 66.02 63.55 2jkz s SER 10 CO 0.02 -0.59 1.65 1.88 0.98 0.00 0.00 173.24 177.18 2jkz h TYR 11 N 0.30 -0.61 -0.64 5.02 0.05 -1.95 -2.02 116.97 117.12 2jkz h TYR 11 Ca -0.47 -0.00 0.18 0.00 0.05 0.00 0.00 58.73 58.50 2jkz h TYR 11 Cb 1.20 0.23 -0.03 0.00 1.01 0.00 0.00 36.73 39.14 2jkz h TYR 11 CO 0.60 -0.35 0.52 -0.91 -1.05 0.00 0.00 178.16 176.97 2jkz h ASN 12 N -0.53 0.00 0.07 3.88 4.21 -1.95 -0.28 115.58 120.98 2jkz h ASN 12 Ca -0.02 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.49 2jkz h ASN 12 Cb 0.47 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.67 2jkz h ASN 12 CO -0.01 0.00 -0.03 -1.13 -1.29 0.00 0.00 177.43 174.96 2jkz h ASN 13 N 0.00 -0.08 -0.98 5.81 -0.73 -1.63 -2.17 115.58 115.80 2jkz h ASN 13 Ca 0.30 -0.51 0.22 0.00 1.87 0.00 0.00 56.30 58.18 2jkz h ASN 13 Cb 1.34 0.02 -0.09 0.00 0.27 0.00 0.00 38.32 39.86 2jkz h ASN 13 CO -0.00 0.52 0.63 0.58 -0.37 0.00 0.00 177.43 178.78 2jkz h VAL 14 N -0.72 0.64 -0.27 2.57 2.07 -0.60 0.64 116.25 120.57 2jkz h VAL 14 Ca -0.01 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2jkz h VAL 14 Cb 0.59 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2jkz h VAL 14 CO 0.02 0.09 0.05 -0.74 0.02 0.00 0.00 177.57 177.01 2jkz h HIS 15 N 0.52 0.48 0.00 1.57 -0.00 -0.98 -2.20 115.15 114.53 2jkz h HIS 15 Ca 0.54 -0.07 -0.11 0.00 -0.00 0.00 0.00 60.37 60.74 2jkz h HIS 15 Cb 1.19 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 28.45 2jkz h HIS 15 CO -0.00 0.55 -0.53 1.96 -0.00 0.00 0.00 177.93 179.90 2jkz h GLN 16 N 0.27 0.00 -0.21 5.26 4.20 -0.37 -1.69 115.11 122.56 2jkz h GLN 16 Ca 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2jkz h GLN 16 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2jkz h GLN 16 CO 0.00 0.53 0.09 -0.07 -0.67 0.00 0.00 178.83 178.72 2jkz h LEU 17 N 0.00 0.28 -0.50 1.46 3.38 -0.77 -1.18 115.31 117.98 2jkz h LEU 17 Ca -0.01 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2jkz h LEU 17 Cb 0.96 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 2jkz h LEU 17 CO 0.07 0.35 0.32 0.00 0.09 0.00 0.00 178.44 179.26 2jkz h GLN 19 N 0.64 -0.47 -0.47 0.00 4.15 -0.71 0.44 115.11 118.69 2jkz h GLN 19 Ca 0.19 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.60 2jkz h GLN 19 Cb -0.03 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 2jkz h GLN 19 CO -0.07 -0.31 0.12 -0.39 -1.93 0.00 0.00 178.83 176.26 2jkz h VAL 20 N -0.48 1.23 0.00 2.39 -1.51 -1.13 -2.31 116.25 114.44 2jkz h VAL 20 Ca 0.07 -0.81 -0.02 0.00 -1.23 0.00 0.00 66.70 64.72 2jkz h VAL 20 Cb 0.61 0.86 -0.00 0.00 -2.13 0.00 0.00 31.29 30.63 2jkz h VAL 20 CO -0.36 0.29 -0.09 0.28 -1.23 0.00 0.00 177.57 176.46 2jkz h SER 21 N 0.63 0.00 -0.93 4.19 0.02 -0.85 -2.81 113.55 113.80 2jkz h SER 21 Ca 0.15 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.26 2jkz h SER 21 Cb 0.31 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.75 2jkz h SER 21 CO -0.00 0.09 0.53 0.00 -1.14 0.00 0.00 176.83 176.31 2jkz h ALA 22 N 1.91 1.47 0.78 3.77 0.00 0.46 -2.03 119.26 125.63 2jkz h ALA 22 Ca -0.00 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2jkz h ALA 22 Cb 0.21 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jkz h ALA 22 CO 0.01 -0.05 -0.38 0.93 0.00 0.00 0.00 179.25 179.77 2jkz h GLU 23 N 0.71 -1.01 -0.83 0.00 4.39 -1.61 -1.60 114.58 114.63 2jkz h GLU 23 Ca 0.52 0.07 0.17 0.00 0.34 0.00 0.00 59.36 60.46 2jkz h GLU 23 Cb 0.75 0.23 -0.11 0.00 -0.10 0.00 0.00 28.75 29.53 2jkz h GLU 23 CO -0.37 -0.67 0.36 0.00 -1.16 0.00 0.00 179.01 177.17 2jkz h ARG 24 N -1.22 0.45 0.00 2.33 3.08 -1.68 0.37 114.38 117.72 2jkz h ARG 24 Ca -0.11 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 2jkz h ARG 24 Cb 0.80 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 2jkz h ARG 24 CO 0.18 0.30 -0.10 0.82 -1.07 0.00 0.00 179.97 180.10 2jkz h ILE 25 N 0.46 0.98 0.00 2.04 2.04 -1.31 -2.64 117.51 119.08 2jkz h ILE 25 Ca 0.48 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 66.00 2jkz h ILE 25 Cb 0.80 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2jkz h ILE 25 CO -0.45 0.09 0.11 0.11 0.00 0.00 0.00 178.15 178.02 2jkz h LYS 26 N 0.00 0.00 0.12 2.37 1.57 0.79 -2.79 116.57 118.63 2jkz h LYS 26 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2jkz h LYS 26 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2jkz h LYS 26 CO 0.01 0.00 -0.06 -0.91 -0.57 0.00 0.00 179.45 177.92 2jkz h ASN 27 N 0.00 -0.14 -0.59 0.86 2.35 -1.57 -3.21 115.58 113.28 2jkz h ASN 27 Ca 0.00 0.00 0.17 0.00 -0.55 0.00 0.00 56.30 55.93 2jkz h ASN 27 Cb 0.22 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 2jkz h ASN 27 CO 0.00 0.03 0.84 0.33 -1.65 0.00 0.00 177.43 176.99 2jkz n PHE 28 N -3.17 0.00 -3.64 1.19 7.35 -1.05 -4.73 117.46 113.41 2jkz n PHE 28 Ca -0.02 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.46 2jkz n PHE 28 Cb 0.06 -0.15 0.01 0.00 0.35 0.00 0.00 39.48 39.75 2jkz n PHE 28 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2jkz n LYS 29 N -2.53 -1.38 -1.97 -4.13 4.81 -1.22 -4.87 118.16 106.88 2jkz n LYS 29 Ca 0.13 0.85 -0.39 0.00 -0.87 0.00 0.00 58.31 58.03 2jkz n LYS 29 Cb 1.02 -3.22 0.01 0.00 0.02 0.00 0.00 35.03 32.86 2jkz n LYS 29 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2jkz s PRO 30 N -4.77 3.78 -0.08 1.64 0.04 -1.26 -4.74 135.00 129.61 2jkz s PRO 30 Ca 0.07 2.21 0.21 0.00 0.04 0.00 0.00 61.00 63.53 2jkz s PRO 30 Cb -0.03 -2.65 -0.30 0.00 0.04 0.00 0.00 34.50 31.56 2jkz s PRO 30 CO 0.87 -0.67 0.36 -0.25 0.04 0.00 0.00 177.00 177.36 2jkz n ASP 31 N -0.14 0.03 -3.49 6.66 9.92 0.27 -4.97 116.55 124.83 2jkz n ASP 31 Ca 0.05 0.01 -0.11 0.00 -0.53 0.00 0.00 54.79 54.22 2jkz n ASP 31 Cb 0.44 1.63 -0.03 0.00 -0.64 0.00 0.00 41.12 42.51 2jkz n ASP 31 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2jkz s LEU 32 N -4.86 -0.46 -0.08 0.64 2.34 -1.22 -4.48 118.68 110.56 2jkz s LEU 32 Ca -0.08 0.12 0.03 0.00 0.06 0.00 0.00 54.13 54.27 2jkz s LEU 32 Cb 0.11 2.22 -0.02 0.00 -0.56 0.00 0.00 46.19 47.95 2jkz s LEU 32 CO 0.88 -0.69 -0.19 -0.63 -1.06 0.00 0.00 176.35 174.67 2jkz s ILE 33 N -2.85 2.62 -0.21 1.48 1.01 0.04 -2.16 121.20 121.13 2jkz s ILE 33 Ca 0.01 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 2jkz s ILE 33 Cb -0.01 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.46 2jkz s ILE 33 CO -0.07 0.56 -0.13 -0.63 0.00 0.00 0.00 174.94 174.68 2jkz s ILE 34 N -0.14 2.55 -0.19 2.92 1.01 -0.25 -0.14 121.20 126.97 2jkz s ILE 34 Ca -0.03 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.64 2jkz s ILE 34 Cb -0.14 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 2jkz s ILE 34 CO 0.04 0.40 0.08 0.00 0.00 0.00 0.00 174.94 175.46 2jkz s ALA 35 N 1.33 3.48 -0.37 9.38 0.00 0.10 -0.85 121.76 134.83 2jkz s ALA 35 Ca 0.03 -0.74 -0.25 0.00 0.00 0.00 0.00 51.96 51.01 2jkz s ALA 35 Cb -0.15 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 20.99 2jkz s ALA 35 CO -0.08 0.16 0.86 0.42 0.00 0.00 0.00 175.76 177.12 2jkz s ILE 36 N 0.39 4.65 0.07 0.00 1.01 0.04 -1.01 121.20 126.36 2jkz s ILE 36 Ca 0.04 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.72 2jkz s ILE 36 Cb -0.12 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.07 2jkz s ILE 36 CO -0.00 -0.50 0.00 0.61 0.00 0.00 0.00 174.94 175.04 2jkz n GLY 37 N 4.48 -1.31 0.10 6.18 0.00 0.43 -1.64 105.19 113.42 2jkz n GLY 37 Ca 0.05 -1.09 -0.03 0.00 0.00 0.00 0.00 46.02 44.95 2jkz n GLY 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jkz h GLY 38 N -0.30 0.00 0.26 -0.02 0.00 -1.91 -2.83 103.07 98.27 2jkz h GLY 38 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 2jkz h GLY 38 CO 0.00 0.00 0.02 -1.33 0.00 0.00 0.00 176.54 175.23 2jkz h GLY 39 N 2.74 0.49 1.92 4.60 0.00 -1.99 -1.26 103.07 109.58 2jkz h GLY 39 Ca -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 2jkz h GLY 39 CO 0.10 -0.12 -0.19 -1.33 0.00 0.00 0.00 176.54 175.00 2jkz h GLY 40 N 0.13 0.00 0.74 4.60 0.00 -1.34 -3.35 103.07 103.85 2jkz h GLY 40 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 2jkz h GLY 40 CO -0.38 0.00 -0.12 -2.75 0.00 0.00 0.00 176.54 173.29 2jkz h PHE 41 N 0.00 -0.31 -0.36 5.60 3.04 -0.98 -1.51 116.94 122.42 2jkz h PHE 41 Ca -0.00 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.02 2jkz h PHE 41 Cb 1.09 0.10 -0.08 0.00 2.56 0.00 0.00 35.95 39.62 2jkz h PHE 41 CO 0.00 -0.02 -0.24 0.82 -2.02 0.00 0.00 178.31 176.85 2jkz h ILE 42 N -0.61 0.36 -0.27 1.41 2.04 -1.60 0.29 117.51 119.13 2jkz h ILE 42 Ca -0.03 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 2jkz h ILE 42 Cb 0.44 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2jkz h ILE 42 CO 0.06 0.00 -0.25 1.55 0.00 0.00 0.00 178.15 179.51 2jkz h PRO 43 N -0.19 0.52 -0.33 2.37 0.13 -1.74 -2.19 132.00 130.58 2jkz h PRO 43 Ca 0.18 -0.20 0.03 0.00 -0.87 0.00 0.00 66.00 65.14 2jkz h PRO 43 Cb 0.47 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.54 2jkz h PRO 43 CO -0.47 0.73 0.14 0.00 -0.23 0.00 0.00 178.00 178.17 2jkz h ALA 44 N 1.27 0.39 -0.73 -0.56 0.00 -0.00 0.42 119.26 120.05 2jkz h ALA 44 Ca 0.07 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2jkz h ALA 44 Cb 0.68 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2jkz h ALA 44 CO 0.05 -0.24 0.46 -0.09 0.00 0.00 0.00 179.25 179.43 2jkz h ARG 45 N 0.31 0.88 0.06 0.00 9.65 -0.21 -0.92 114.38 124.15 2jkz h ARG 45 Ca 0.14 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 2jkz h ARG 45 Cb 0.08 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 2jkz h ARG 45 CO -0.12 0.58 -0.03 0.82 2.80 0.00 0.00 179.97 184.03 2jkz h ILE 46 N 0.91 1.09 -1.05 1.20 2.04 -0.88 -2.65 117.51 118.17 2jkz h ILE 46 Ca 0.29 -0.51 0.30 0.00 1.00 0.00 0.00 64.86 65.94 2jkz h ILE 46 Cb 0.00 1.43 -0.12 0.00 -0.74 0.00 0.00 36.82 37.38 2jkz h ILE 46 CO -0.10 0.13 0.64 0.25 0.00 0.00 0.00 178.15 179.06 2jkz h LEU 47 N -0.31 0.51 0.19 1.44 7.12 0.37 0.21 115.31 124.85 2jkz h LEU 47 Ca -0.01 0.14 -0.01 0.00 0.13 0.00 0.00 57.88 58.13 2jkz h LEU 47 Cb 0.27 0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.47 2jkz h LEU 47 CO 0.01 -0.01 -0.09 -0.09 -0.13 0.00 0.00 178.44 178.13 2jkz h ARG 48 N 0.39 -0.24 -1.18 1.25 2.43 -0.81 -2.68 114.38 113.53 2jkz h ARG 48 Ca 0.68 0.02 0.36 0.00 -0.81 0.00 0.00 59.98 60.22 2jkz h ARG 48 Cb 1.61 0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 31.10 2jkz h ARG 48 CO -0.46 -0.13 0.76 1.15 -1.51 0.00 0.00 179.97 179.79 2jkz h THR 49 N -0.30 0.30 0.00 0.20 2.02 -0.88 0.40 112.91 114.65 2jkz h THR 49 Ca -0.03 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 2jkz h THR 49 Cb 0.23 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 2jkz h THR 49 CO 0.04 0.04 -0.55 -0.26 0.37 0.00 0.00 175.52 175.16 2jkz h PHE 50 N 0.22 0.00 -0.01 3.16 0.04 -1.46 -3.27 116.94 115.63 2jkz h PHE 50 Ca 0.72 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.49 2jkz h PHE 50 Cb 2.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.23 2jkz h PHE 50 CO -0.00 0.43 -0.02 1.28 -0.60 0.00 0.00 178.31 179.39 2jkz n LEU 51 N -3.15 0.60 -4.67 1.54 4.77 0.14 -4.87 117.00 111.35 2jkz n LEU 51 Ca 0.01 -0.17 -0.42 0.00 -0.03 0.00 0.00 56.01 55.40 2jkz n LEU 51 Cb 0.71 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.74 2jkz n LEU 51 CO 0.40 0.10 1.14 -0.75 -1.33 0.00 0.00 177.39 176.95 2jkz s LYS 52 N -2.09 4.26 -0.12 3.23 2.47 -1.06 -4.97 119.74 121.45 2jkz s LYS 52 Ca 0.41 1.88 0.03 0.00 -1.56 0.00 0.00 55.97 56.73 2jkz s LYS 52 Cb 0.21 -3.71 0.00 0.00 -1.46 0.00 0.00 37.83 32.87 2jkz s LYS 52 CO 0.38 -0.65 -0.22 -1.21 0.16 0.00 0.00 175.35 173.80 2jkz s GLU 53 N 3.04 3.07 -0.07 4.03 2.02 -1.26 -5.08 118.70 124.45 2jkz s GLU 53 Ca 0.62 -0.85 -0.29 0.00 0.02 0.00 0.00 54.97 54.47 2jkz s GLU 53 Cb -0.28 -2.39 -0.14 0.00 0.10 0.00 0.00 34.13 31.42 2jkz s GLU 53 CO 0.23 0.10 0.82 -0.35 0.02 0.00 0.00 175.26 176.08 2jkz n PRO 54 N 3.75 0.00 0.00 0.39 -0.04 -1.26 -2.07 135.00 135.77 2jkz n PRO 54 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2jkz n PRO 54 Cb 0.52 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 2jkz n PRO 54 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jkz n GLY 55 N 1.39 1.95 3.68 0.55 0.00 -1.26 -4.98 105.19 106.52 2jkz n GLY 55 Ca 0.15 -0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 2jkz n GLY 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jkz n VAL 56 N 0.00 0.30 -1.67 1.61 0.31 -0.88 -4.93 118.33 113.07 2jkz n VAL 56 Ca 0.00 -0.05 -0.39 0.00 -0.01 0.00 0.00 64.34 63.88 2jkz n VAL 56 Cb 0.00 -1.93 0.03 0.00 -0.91 0.00 0.00 33.84 31.04 2jkz n VAL 56 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2jkz n PRO 57 N 5.21 1.42 -2.06 5.55 -0.04 -1.26 -4.60 135.00 139.23 2jkz n PRO 57 Ca 0.19 0.52 -0.42 0.00 -0.04 0.00 0.00 63.50 63.75 2jkz n PRO 57 Cb 0.34 -2.32 -0.03 0.00 -0.04 0.00 0.00 33.50 31.45 2jkz n PRO 57 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jkz s THR 58 N -1.34 2.92 0.50 0.52 2.01 -1.26 -4.96 115.64 114.03 2jkz s THR 58 Ca 0.69 0.69 -0.22 0.00 0.31 0.00 0.00 61.69 63.16 2jkz s THR 58 Cb -0.46 -3.44 -0.07 0.00 0.01 0.00 0.00 72.50 68.54 2jkz s THR 58 CO 0.51 0.07 1.16 0.00 -0.69 0.00 0.00 174.62 175.67 2jkz n ILE 59 N 3.52 3.14 -3.33 1.82 3.06 -1.26 -4.99 119.36 121.33 2jkz n ILE 59 Ca 0.11 -0.50 -0.34 0.00 -2.50 0.00 0.00 62.75 59.52 2jkz n ILE 59 Cb 0.41 -1.40 -0.06 0.00 0.54 0.00 0.00 39.64 39.13 2jkz n ILE 59 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 2jkz s ARG 60 N -2.48 3.94 -0.16 9.51 0.52 -1.26 -4.95 118.95 124.08 2jkz s ARG 60 Ca 0.68 0.47 0.02 0.00 -0.52 0.00 0.00 55.73 56.37 2jkz s ARG 60 Cb -0.47 -2.78 0.01 0.00 0.52 0.00 0.00 34.95 32.24 2jkz s ARG 60 CO 0.53 0.38 -0.20 0.42 0.02 0.00 0.00 175.30 176.44 2jkz s ILE 61 N -1.64 2.13 -0.20 1.52 1.01 -1.26 -0.78 121.20 121.98 2jkz s ILE 61 Ca 0.43 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 2jkz s ILE 61 Cb -0.13 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 2jkz s ILE 61 CO 0.20 0.54 -0.05 -0.36 0.00 0.00 0.00 174.94 175.27 2jkz s PHE 62 N 1.00 2.95 0.11 3.97 0.40 0.81 -4.97 117.98 122.25 2jkz s PHE 62 Ca -0.02 -0.81 -0.17 0.00 -0.60 0.00 0.00 56.93 55.33 2jkz s PHE 62 Cb -0.15 -2.05 -0.07 0.00 0.51 0.00 0.00 43.02 41.26 2jkz s PHE 62 CO -0.06 -0.43 0.56 0.00 0.70 0.00 0.00 175.22 175.99 2jkz s ALA 63 N 1.18 3.58 -0.00 5.36 0.00 -1.26 0.03 121.76 130.65 2jkz s ALA 63 Ca 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 2jkz s ALA 63 Cb -0.14 -2.59 -0.00 0.00 0.00 0.00 0.00 23.12 20.38 2jkz s ALA 63 CO -0.01 0.42 0.07 0.96 0.00 0.00 0.00 175.76 177.20 2jkz s ILE 64 N -1.28 0.06 -0.10 0.00 -4.36 -0.18 -4.68 121.20 110.66 2jkz s ILE 64 Ca 0.33 -0.53 0.02 0.00 -0.26 0.00 0.00 60.65 60.22 2jkz s ILE 64 Cb -0.17 -0.28 -0.01 0.00 1.25 0.00 0.00 42.46 43.24 2jkz s ILE 64 CO 0.19 -0.29 -0.18 -0.63 0.24 0.00 0.00 174.94 174.27 2jkz s ILE 65 N -0.94 2.63 -0.09 8.37 -1.09 -0.12 -0.43 121.20 129.53 2jkz s ILE 65 Ca -0.10 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 2jkz s ILE 65 Cb -0.06 -2.05 0.02 0.00 -1.58 0.00 0.00 42.46 38.79 2jkz s ILE 65 CO 0.00 0.55 -0.08 -0.22 -1.23 0.00 0.00 174.94 173.96 2jkz s LEU 66 N 0.12 1.29 -0.19 2.97 0.20 -1.26 -2.56 118.68 119.26 2jkz s LEU 66 Ca -0.09 -0.28 -0.06 0.00 0.69 0.00 0.00 54.13 54.39 2jkz s LEU 66 Cb -0.15 -0.80 -0.03 0.00 -0.43 0.00 0.00 46.19 44.78 2jkz s LEU 66 CO 0.06 -0.08 0.02 -0.44 -0.29 0.00 0.00 176.35 175.62 2jkz s SER 67 N 1.39 5.13 -0.19 3.68 0.01 -0.64 -4.97 113.70 118.10 2jkz s SER 67 Ca -0.01 -0.09 -0.02 0.00 1.31 0.00 0.00 55.95 57.14 2jkz s SER 67 Cb -0.13 -1.87 -0.00 0.00 0.21 0.00 0.00 66.02 64.22 2jkz s SER 67 CO -0.04 0.12 -0.10 -0.76 0.41 0.00 0.00 173.24 172.86 2jkz s LEU 68 N 0.68 2.65 0.31 2.44 1.43 -1.26 -1.05 118.68 123.88 2jkz s LEU 68 Ca 0.01 -0.46 0.09 0.00 -1.03 0.00 0.00 54.13 52.75 2jkz s LEU 68 Cb -0.14 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 2jkz s LEU 68 CO 0.02 0.01 -0.01 -0.31 0.23 0.00 0.00 176.35 176.29 2jkz s TYR 69 N 1.25 2.56 0.00 0.29 2.02 0.54 -4.95 117.35 119.05 2jkz s TYR 69 Ca 0.03 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 2jkz s TYR 69 Cb -0.14 -1.36 0.00 0.00 -0.40 0.00 0.00 41.96 40.06 2jkz s TYR 69 CO -0.05 0.54 0.00 -1.91 -1.57 0.00 0.00 175.55 172.56 2jkz n GLU 70 N -0.90 1.07 0.00 -0.62 2.13 -1.26 -0.67 120.64 120.38 2jkz n GLU 70 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 2jkz n GLU 70 Cb 0.61 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.32 2jkz n GLU 70 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jkz n ASP 71 N 0.00 2.94 -4.91 4.31 8.00 -1.26 -4.95 116.55 120.68 2jkz n ASP 71 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 2jkz n ASP 71 Cb 0.00 0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.14 2jkz n ASP 71 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jkz s VAL 84 N -1.69 5.38 -0.16 2.53 1.01 -1.26 -5.40 120.40 120.80 2jkz s VAL 84 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2jkz s VAL 84 Cb 0.00 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.81 2jkz s VAL 84 CO 0.00 0.21 -0.18 -0.75 0.00 0.00 0.00 175.10 174.38 2jkz s LYS 85 N -2.27 2.71 0.03 2.72 2.47 0.15 -4.99 119.74 120.56 2jkz s LYS 85 Ca 0.32 -0.72 -0.01 0.00 -1.56 0.00 0.00 55.97 54.00 2jkz s LYS 85 Cb -0.13 -2.37 -0.04 0.00 -1.46 0.00 0.00 37.83 33.83 2jkz s LYS 85 CO 0.24 -0.21 0.18 0.14 0.16 0.00 0.00 175.35 175.86 2jkz s VAL 86 N 1.34 5.31 -0.17 4.02 -7.23 -1.26 -0.34 120.40 122.07 2jkz s VAL 86 Ca 0.04 -0.32 -0.04 0.00 -1.81 0.00 0.00 61.98 59.85 2jkz s VAL 86 Cb -0.13 -3.53 0.08 0.00 0.56 0.00 0.00 36.38 33.35 2jkz s VAL 86 CO -0.11 0.23 0.22 -0.55 -0.31 0.00 0.00 175.10 174.57 2jkz s SER 87 N -2.22 1.08 -1.23 4.85 0.15 -0.21 -4.98 113.70 111.14 2jkz s SER 87 Ca 0.31 0.03 -0.20 0.00 0.70 0.00 0.00 55.95 56.78 2jkz s SER 87 Cb -0.13 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.60 2jkz s SER 87 CO 0.23 -0.30 1.80 -0.13 1.20 0.00 0.00 173.24 176.04 2jkz s ARG 88 N 2.33 3.40 0.26 5.44 0.52 -1.26 -1.62 118.95 128.02 2jkz s ARG 88 Ca 0.05 -1.61 -0.04 0.00 -0.52 0.00 0.00 55.73 53.61 2jkz s ARG 88 Cb -0.14 -5.41 0.33 0.00 0.52 0.00 0.00 34.95 30.25 2jkz s ARG 88 CO -0.10 -2.90 1.92 1.15 0.02 0.00 0.00 175.30 175.39 2jkz h THR 89 N 5.90 1.20 -2.62 0.02 2.02 -1.87 -3.41 112.91 114.15 2jkz h THR 89 Ca 0.34 -0.44 -0.14 0.00 0.77 0.00 0.00 66.41 66.94 2jkz h THR 89 Cb 0.91 -0.18 -0.29 0.00 -1.74 0.00 0.00 68.15 66.84 2jkz h THR 89 CO 1.37 0.23 -0.43 -1.10 0.37 0.00 0.00 175.52 175.96 2jkz s GLN 90 N -6.06 0.26 0.37 6.66 -0.21 -1.06 -4.92 119.66 114.69 2jkz s GLN 90 Ca -0.13 0.92 0.04 0.00 0.02 0.00 0.00 55.36 56.21 2jkz s GLN 90 Cb 0.19 0.17 -0.05 0.00 1.00 0.00 0.00 33.01 34.32 2jkz s GLN 90 CO 0.81 -0.28 0.07 -0.46 -2.12 0.00 0.00 175.29 173.32 2jkz s TRP 91 N 2.54 1.93 -0.29 0.91 -0.11 -1.26 -0.95 118.94 121.71 2jkz s TRP 91 Ca -0.00 -1.04 -0.28 0.00 1.22 0.00 0.00 56.10 56.00 2jkz s TRP 91 Cb -0.12 -1.30 0.01 0.00 -1.50 0.00 0.00 33.47 30.56 2jkz s TRP 91 CO -0.11 -0.04 0.99 0.42 -4.62 0.00 0.00 176.95 173.59 2jkz s ILE 92 N -3.21 4.63 -1.35 5.86 1.01 -1.26 -4.95 121.20 121.93 2jkz s ILE 92 Ca 0.30 1.69 -0.15 0.00 0.00 0.00 0.00 60.65 62.49 2jkz s ILE 92 Cb 0.06 -4.31 0.08 0.00 0.01 0.00 0.00 42.46 38.30 2jkz s ILE 92 CO 0.14 -0.33 1.91 -0.67 0.00 0.00 0.00 174.94 175.99 2jkz n ASP 93 N 6.54 4.58 -0.41 3.58 -0.08 -1.26 -4.77 116.55 124.73 2jkz n ASP 93 Ca 0.10 -2.92 0.34 0.00 -1.51 0.00 0.00 54.79 50.80 2jkz n ASP 93 Cb 0.47 -1.67 0.61 0.00 2.34 0.00 0.00 41.12 42.88 2jkz n ASP 93 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 2jkz h TYR 94 N 6.73 0.59 0.00 -0.67 0.05 -1.92 -1.72 116.97 120.03 2jkz h TYR 94 Ca 0.48 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.28 2jkz h TYR 94 Cb 0.76 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.35 2jkz h TYR 94 CO 1.39 -0.19 0.00 0.39 -1.05 0.00 0.00 178.16 178.70 2jkz n GLU 95 N -4.75 0.00 0.28 4.88 -0.58 -1.26 -0.31 120.64 118.90 2jkz n GLU 95 Ca 0.35 0.18 0.16 0.00 -0.42 0.00 0.00 57.16 57.43 2jkz n GLU 95 Cb 1.31 -0.88 0.90 0.00 -0.57 0.00 0.00 31.44 32.20 2jkz n GLU 95 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2jkz h GLN 96 N 0.00 0.00 0.00 3.49 -0.00 -1.93 -0.89 115.11 115.78 2jkz h GLN 96 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2jkz h GLN 96 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.48 2jkz h GLN 96 CO 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 178.83 178.69 2jkz n LYS 98 N -3.05 -4.05 -4.44 0.00 5.02 0.58 -5.00 118.16 107.22 2jkz n LYS 98 Ca 0.03 0.82 -0.34 0.00 -2.02 0.00 0.00 58.31 56.81 2jkz n LYS 98 Cb 0.54 -5.70 -0.13 0.00 -0.02 0.00 0.00 35.03 29.72 2jkz n LYS 98 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2jkz s LEU 99 N -5.92 2.96 -0.30 -0.35 2.96 -0.97 -5.07 118.68 112.00 2jkz s LEU 99 Ca 0.25 -0.26 -0.00 0.00 -0.22 0.00 0.00 54.13 53.90 2jkz s LEU 99 Cb -0.04 -1.71 0.06 0.00 0.50 0.00 0.00 46.19 45.00 2jkz s LEU 99 CO 0.75 0.13 -0.01 -0.62 -1.32 0.00 0.00 176.35 175.27 2jkz s ASP 100 N 0.60 4.79 0.11 3.68 2.15 -1.26 -4.84 116.67 121.90 2jkz s ASP 100 Ca -0.05 -1.41 0.22 0.00 0.43 0.00 0.00 52.55 51.74 2jkz s ASP 100 Cb -0.15 -1.67 0.87 0.00 -0.30 0.00 0.00 42.92 41.67 2jkz s ASP 100 CO 0.03 -0.27 1.67 0.18 -0.17 0.00 0.00 175.17 176.61 2jkz n LEU 101 N 4.54 0.33 -4.68 -1.34 4.32 -1.26 -4.70 117.00 114.22 2jkz n LEU 101 Ca -0.12 0.56 -0.42 0.00 -0.02 0.00 0.00 56.01 56.01 2jkz n LEU 101 Cb 0.43 -0.50 -0.03 0.00 -1.62 0.00 0.00 43.42 41.70 2jkz n LEU 101 CO 0.25 -0.29 1.36 -0.69 -1.22 0.00 0.00 177.39 176.80 2jkz s VAL 102 N -3.11 3.27 -1.41 4.08 1.01 -1.26 -2.63 120.40 120.34 2jkz s VAL 102 Ca 0.08 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2jkz s VAL 102 Cb 0.12 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2jkz s VAL 102 CO 0.40 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2jkz n GLY 103 N 4.09 1.24 3.74 4.51 0.00 0.23 -5.01 105.19 113.99 2jkz n GLY 103 Ca 0.17 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 2jkz n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkz s LYS 104 N -3.33 2.42 -0.37 1.61 -0.14 -1.08 -4.98 119.74 113.87 2jkz s LYS 104 Ca 0.00 -1.48 -0.06 0.00 -1.36 0.00 0.00 55.97 53.07 2jkz s LYS 104 Cb 0.00 -2.22 0.07 0.00 -1.68 0.00 0.00 37.83 34.00 2jkz s LYS 104 CO 0.00 0.16 0.15 -0.80 -0.76 0.00 0.00 175.35 174.10 2jkz s ASN 105 N -3.83 5.32 -0.12 2.83 0.02 -1.26 -2.25 114.94 115.64 2jkz s ASN 105 Ca 0.37 -1.47 -0.13 0.00 -1.02 0.00 0.00 52.86 50.61 2jkz s ASN 105 Cb -0.04 -1.86 -0.05 0.00 0.02 0.00 0.00 41.25 39.32 2jkz s ASN 105 CO 0.23 -0.42 0.28 -0.69 0.02 0.00 0.00 177.10 176.52 2jkz s VAL 106 N 1.32 5.29 -0.23 1.60 1.01 -0.41 -0.57 120.40 128.41 2jkz s VAL 106 Ca 0.01 0.53 -0.03 0.00 0.00 0.00 0.00 61.98 62.50 2jkz s VAL 106 Cb -0.21 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.57 2jkz s VAL 106 CO 0.00 0.47 -0.05 -0.22 0.00 0.00 0.00 175.10 175.30 2jkz s LEU 107 N -0.13 2.96 -0.13 3.92 2.96 -0.92 0.13 118.68 127.48 2jkz s LEU 107 Ca 0.17 -0.57 -0.21 0.00 -0.22 0.00 0.00 54.13 53.30 2jkz s LEU 107 Cb -0.13 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 2jkz s LEU 107 CO 0.06 -0.06 0.62 -0.63 -1.32 0.00 0.00 176.35 175.01 2jkz s ILE 108 N 1.42 5.07 0.02 6.68 1.01 0.45 -1.09 121.20 134.77 2jkz s ILE 108 Ca 0.04 1.23 0.08 0.00 0.00 0.00 0.00 60.65 62.00 2jkz s ILE 108 Cb -0.15 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 2jkz s ILE 108 CO -0.04 0.22 -0.25 -0.69 0.00 0.00 0.00 174.94 174.18 2jkz s VAL 109 N 1.15 2.00 -0.14 2.92 1.01 -0.03 -0.46 120.40 126.85 2jkz s VAL 109 Ca 0.31 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 2jkz s VAL 109 Cb -0.16 -1.70 0.11 0.00 0.00 0.00 0.00 36.38 34.63 2jkz s VAL 109 CO 0.13 0.41 0.91 -0.62 0.00 0.00 0.00 175.10 175.92 2jkz s ASP 110 N -1.01 -0.46 0.06 3.32 2.15 -0.96 -0.78 116.67 119.00 2jkz s ASP 110 Ca 0.10 0.54 -0.24 0.00 0.43 0.00 0.00 52.55 53.39 2jkz s ASP 110 Cb -0.10 0.43 -0.16 0.00 -0.30 0.00 0.00 42.92 42.79 2jkz s ASP 110 CO 0.01 -0.40 1.62 1.05 -0.17 0.00 0.00 175.17 177.28 2jkz h GLU 111 N 2.84 0.02 -4.24 4.34 9.09 -1.85 -3.34 114.58 121.44 2jkz h GLU 111 Ca -0.22 -0.00 -0.24 0.00 0.05 0.00 0.00 59.36 58.95 2jkz h GLU 111 Cb 1.16 -0.00 -0.23 0.00 -1.65 0.00 0.00 28.75 28.03 2jkz h GLU 111 CO 0.31 0.13 -0.72 0.54 0.05 0.00 0.00 179.01 179.32 2jkz s VAL 112 N -5.70 0.32 -0.41 -1.06 0.11 -1.26 -0.48 120.40 111.92 2jkz s VAL 112 Ca -0.14 -0.80 -0.12 0.00 -2.93 0.00 0.00 61.98 57.99 2jkz s VAL 112 Cb 0.05 -0.39 0.04 0.00 -1.53 0.00 0.00 36.38 34.55 2jkz s VAL 112 CO 0.67 -0.32 0.27 -0.62 -3.33 0.00 0.00 175.10 171.76 2jkz s ASP 113 N -1.19 5.87 0.00 3.54 -1.08 0.45 -4.96 116.67 119.29 2jkz s ASP 113 Ca -0.10 -1.14 0.00 0.00 -0.52 0.00 0.00 52.55 50.80 2jkz s ASP 113 Cb -0.08 -2.07 0.00 0.00 -1.46 0.00 0.00 42.92 39.31 2jkz s ASP 113 CO -0.00 -0.48 0.00 -0.67 0.52 0.00 0.00 175.17 174.54 2jkz n ASP 114 N 5.05 0.00 -0.50 -0.34 2.03 -1.26 -1.30 116.55 120.23 2jkz n ASP 114 Ca -0.11 0.01 0.06 0.00 0.52 0.00 0.00 54.79 55.26 2jkz n ASP 114 Cb 0.45 -0.44 0.06 0.00 -0.72 0.00 0.00 41.12 40.48 2jkz n ASP 114 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2jkz n THR 115 N -2.36 0.11 0.00 5.18 -2.24 -1.26 -4.77 114.28 108.93 2jkz n THR 115 Ca 0.00 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2jkz n THR 115 Cb 0.00 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 2jkz n THR 115 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2jkz n ARG 116 N 0.67 0.00 -0.34 -0.78 0.63 -1.26 -1.40 116.66 114.17 2jkz n ARG 116 Ca 0.08 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.95 2jkz n ARG 116 Cb 0.32 -2.41 -0.01 0.00 0.45 0.00 0.00 32.46 30.81 2jkz n ARG 116 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2jkz h THR 117 N 0.00 0.03 0.07 5.15 2.02 -1.89 0.50 112.91 118.79 2jkz h THR 117 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2jkz h THR 117 Cb 0.00 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.39 2jkz h THR 117 CO 0.00 0.00 -0.35 0.74 0.37 0.00 0.00 175.52 176.28 2jkz h THR 118 N -0.06 0.26 -0.38 3.16 2.02 -1.97 -2.20 112.91 113.74 2jkz h THR 118 Ca 0.26 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.40 2jkz h THR 118 Cb 0.54 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 2jkz h THR 118 CO -0.90 0.00 0.07 -0.07 0.37 0.00 0.00 175.52 175.00 2jkz h LEU 119 N -0.55 0.53 -0.20 2.58 4.07 -1.79 -0.41 115.31 119.54 2jkz h LEU 119 Ca 0.04 -0.08 0.05 0.00 0.08 0.00 0.00 57.88 57.97 2jkz h LEU 119 Cb 0.60 -0.14 -0.07 0.00 1.08 0.00 0.00 40.66 42.13 2jkz h LEU 119 CO -0.24 0.55 -0.42 -0.74 -1.08 0.00 0.00 178.44 176.51 2jkz h HIS 120 N 0.56 -1.20 -0.13 1.13 2.76 -0.29 0.20 115.15 118.17 2jkz h HIS 120 Ca 0.13 0.05 -0.18 0.00 -2.20 0.00 0.00 60.37 58.17 2jkz h HIS 120 Cb 0.25 0.56 -0.00 0.00 1.55 0.00 0.00 27.41 29.76 2jkz h HIS 120 CO 0.01 -0.46 -0.68 1.88 -1.30 0.00 0.00 177.93 177.38 2jkz h TYR 121 N -0.45 0.71 -0.38 5.26 0.05 -1.32 -1.40 116.97 119.44 2jkz h TYR 121 Ca 0.09 -0.29 0.04 0.00 0.05 0.00 0.00 58.73 58.62 2jkz h TYR 121 Cb 0.61 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 38.20 2jkz h TYR 121 CO -0.52 1.05 0.15 0.00 -1.05 0.00 0.00 178.16 177.80 2jkz h ALA 122 N 0.87 0.46 0.64 3.88 0.00 -0.55 0.26 119.26 124.81 2jkz h ALA 122 Ca -0.02 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2jkz h ALA 122 Cb 1.25 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.05 2jkz h ALA 122 CO 0.12 -0.24 -0.31 1.25 0.00 0.00 0.00 179.25 180.08 2jkz h LEU 123 N 0.32 -0.72 -0.28 0.00 5.85 -0.57 -2.48 115.31 117.42 2jkz h LEU 123 Ca 0.17 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2jkz h LEU 123 Cb 0.13 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2jkz h LEU 123 CO -0.16 -0.42 -0.17 -1.28 -0.34 0.00 0.00 178.44 176.06 2jkz h SER 124 N -1.00 -0.63 -0.88 1.25 0.87 -0.77 0.14 113.55 112.52 2jkz h SER 124 Ca -0.09 0.09 0.14 0.00 -1.23 0.00 0.00 61.79 60.71 2jkz h SER 124 Cb 0.69 0.28 -0.09 0.00 -0.44 0.00 0.00 62.40 62.84 2jkz h SER 124 CO 0.14 -0.07 0.49 -0.33 -0.53 0.00 0.00 176.83 176.53 2jkz h GLU 125 N -0.01 0.69 -0.09 2.24 4.39 -0.56 0.46 114.58 121.70 2jkz h GLU 125 Ca 0.05 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 2jkz h GLU 125 Cb 0.12 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2jkz h GLU 125 CO -0.27 0.46 -0.30 -0.07 -1.16 0.00 0.00 179.01 177.67 2jkz h LEU 126 N 0.71 0.16 -0.56 1.33 3.38 -0.83 -2.52 115.31 116.99 2jkz h LEU 126 Ca 0.47 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.26 2jkz h LEU 126 Cb 0.62 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2jkz h LEU 126 CO -0.34 0.47 -0.26 -0.33 0.09 0.00 0.00 178.44 178.07 2jkz h GLU 127 N 0.15 0.88 -0.26 1.13 5.08 0.14 -2.29 114.58 119.41 2jkz h GLU 127 Ca 0.02 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 58.02 2jkz h GLU 127 Cb 0.61 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2jkz h GLU 127 CO 0.04 1.04 0.08 0.87 -1.00 0.00 0.00 179.01 180.05 2jkz h LYS 128 N 0.75 0.19 -0.91 2.33 1.57 -0.94 -1.31 116.57 118.26 2jkz h LYS 128 Ca 0.09 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.97 2jkz h LYS 128 Cb 0.82 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.01 2jkz h LYS 128 CO 0.07 0.13 0.59 -0.44 -0.57 0.00 0.00 179.45 179.22 2jkz h ASP 129 N 0.20 0.79 0.04 0.86 3.32 -1.20 -0.32 116.42 120.10 2jkz h ASP 129 Ca 0.11 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 2jkz h ASP 129 Cb 0.08 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2jkz h ASP 129 CO -0.12 0.44 -0.02 0.00 -1.72 0.00 0.00 179.24 177.82 2jkz h ALA 130 N 1.56 -0.56 -0.50 3.45 0.00 -0.80 -2.00 119.26 120.41 2jkz h ALA 130 Ca 0.44 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.39 2jkz h ALA 130 Cb 0.51 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 2jkz h ALA 130 CO -0.20 -0.56 -0.51 0.00 0.00 0.00 0.00 179.25 177.98 2jkz h ALA 131 N -1.95 -0.68 -0.50 0.00 0.00 -1.21 0.15 119.26 115.07 2jkz h ALA 131 Ca -0.01 0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.07 2jkz h ALA 131 Cb 0.04 1.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2jkz h ALA 131 CO 0.01 -0.95 0.36 1.49 0.00 0.00 0.00 179.25 180.16 2jkz h GLU 132 N -0.27 0.04 -0.07 0.00 4.81 -1.20 0.24 114.58 118.13 2jkz h GLU 132 Ca 0.08 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2jkz h GLU 132 Cb 0.49 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2jkz h GLU 132 CO -0.61 0.03 0.00 0.00 -0.73 0.00 0.00 179.01 177.69 2jkz n GLN 133 N -4.40 1.87 -0.12 1.92 10.64 0.18 -3.01 117.38 124.46 2jkz n GLN 133 Ca 0.09 -1.28 -0.15 0.00 -1.83 0.00 0.00 57.00 53.83 2jkz n GLN 133 Cb 0.55 -1.46 -0.13 0.00 -0.86 0.00 0.00 30.24 28.34 2jkz n GLN 133 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jkz n ALA 134 N 0.53 1.47 0.21 2.61 0.00 0.55 -3.90 120.51 121.99 2jkz n ALA 134 Ca 0.17 -1.14 -0.15 0.00 0.00 0.00 0.00 53.44 52.33 2jkz n ALA 134 Cb 0.42 -0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.68 2jkz n ALA 134 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2jkz h LYS 135 N 0.00 -0.49 0.00 0.00 3.11 -0.80 -1.90 116.57 116.50 2jkz h LYS 135 Ca -0.55 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.32 2jkz h LYS 135 Cb 1.97 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 33.31 2jkz h LYS 135 CO -0.05 -0.23 0.00 0.00 -2.81 0.00 0.00 179.45 176.35 2jkz n ALA 136 N -2.41 1.88 1.23 5.00 0.00 -1.17 0.71 120.51 125.76 2jkz n ALA 136 Ca -0.10 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.39 2jkz n ALA 136 Cb 0.26 -1.21 0.30 0.00 0.00 0.00 0.00 19.45 18.80 2jkz n ALA 136 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jkz n LYS 137 N -1.13 1.38 -2.87 0.00 3.00 -0.75 -4.96 118.16 112.85 2jkz n LYS 137 Ca 0.08 -0.95 -0.11 0.00 -0.00 0.00 0.00 58.31 57.33 2jkz n LYS 137 Cb 0.07 -1.48 0.06 0.00 0.00 0.00 0.00 35.03 33.68 2jkz n LYS 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jkz n GLY 138 N 1.31 -0.30 3.06 3.14 0.00 0.22 -5.05 105.19 107.56 2jkz n GLY 138 Ca 0.14 0.10 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 2jkz n GLY 138 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkz s ILE 139 N -3.26 0.22 -0.12 -0.61 1.01 -1.01 -5.04 121.20 112.38 2jkz s ILE 139 Ca 0.14 -1.49 -0.00 0.00 0.00 0.00 0.00 60.65 59.30 2jkz s ILE 139 Cb -0.02 -1.08 0.03 0.00 0.01 0.00 0.00 42.46 41.40 2jkz s ILE 139 CO 0.51 -0.81 -0.07 -0.62 0.00 0.00 0.00 174.94 173.95 2jkz s ASP 140 N -2.40 2.25 0.39 3.58 -1.08 -1.26 -4.34 116.67 113.82 2jkz s ASP 140 Ca -0.01 -0.34 0.09 0.00 -0.52 0.00 0.00 52.55 51.77 2jkz s ASP 140 Cb 0.01 -0.85 0.81 0.00 -1.46 0.00 0.00 42.92 41.43 2jkz s ASP 140 CO -0.06 -0.13 1.95 0.71 0.52 0.00 0.00 175.17 178.16 2jkz h THR 141 N 6.20 1.15 0.76 1.71 1.35 -1.97 0.45 112.91 122.56 2jkz h THR 141 Ca -0.29 -0.63 -0.04 0.00 -0.55 0.00 0.00 66.41 64.90 2jkz h THR 141 Cb 1.13 1.05 0.01 0.00 -1.73 0.00 0.00 68.15 68.61 2jkz h THR 141 CO 0.41 0.21 -0.36 -0.33 -0.25 0.00 0.00 175.52 175.19 2jkz h GLU 142 N 0.30 -0.98 0.00 4.72 4.39 -1.97 -2.77 114.58 118.26 2jkz h GLU 142 Ca 0.07 0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.72 2jkz h GLU 142 Cb 0.27 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 2jkz h GLU 142 CO 0.01 -0.65 -0.56 -0.22 -1.16 0.00 0.00 179.01 176.43 2jkz h LYS 143 N -1.17 0.00 -3.07 2.33 3.64 -2.00 -3.35 116.57 112.95 2jkz h LYS 143 Ca -0.10 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.63 2jkz h LYS 143 Cb 0.78 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.20 2jkz h LYS 143 CO 0.17 0.56 -0.44 0.43 -2.27 0.00 0.00 179.45 177.90 2jkz n SER 144 N -3.80 3.43 0.21 4.20 7.64 0.16 -4.89 113.62 120.56 2jkz n SER 144 Ca -0.01 -3.22 0.05 0.00 1.01 0.00 0.00 58.87 56.70 2jkz n SER 144 Cb 0.58 -0.83 0.46 0.00 -1.01 0.00 0.00 64.21 63.41 2jkz n SER 144 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2jkz h PRO 145 N 5.43 0.00 0.00 1.43 0.11 -1.64 -2.37 132.00 134.96 2jkz h PRO 145 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2jkz h PRO 145 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2jkz h PRO 145 CO 0.77 0.28 0.00 -0.85 -0.21 0.00 0.00 178.00 177.99 2jkz n GLU 146 N -4.04 0.12 -0.04 1.05 0.00 -1.26 -2.72 120.64 113.75 2jkz n GLU 146 Ca -0.02 0.14 -0.04 0.00 0.00 0.00 0.00 57.16 57.24 2jkz n GLU 146 Cb 0.34 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.21 2jkz n GLU 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2jkz n MET 147 N -1.17 2.46 -0.96 3.44 2.81 -0.89 -4.67 117.12 118.13 2jkz n MET 147 Ca 0.03 -0.01 -0.34 0.00 -1.81 0.00 0.00 57.70 55.57 2jkz n MET 147 Cb 0.04 -1.23 0.10 0.00 -0.71 0.00 0.00 33.22 31.41 2jkz n MET 147 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2jkz n LYS 148 N -2.32 -0.08 -3.70 0.03 2.85 -1.10 0.78 118.16 114.62 2jkz n LYS 148 Ca -0.14 0.02 -0.36 0.00 -1.05 0.00 0.00 58.31 56.77 2jkz n LYS 148 Cb 0.78 -1.76 -0.07 0.00 -0.65 0.00 0.00 35.03 33.33 2jkz n LYS 148 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2jkz s THR 149 N -2.21 5.38 -0.35 0.58 2.01 -1.26 -3.74 115.64 116.06 2jkz s THR 149 Ca 0.58 0.33 -0.13 0.00 0.31 0.00 0.00 61.69 62.78 2jkz s THR 149 Cb -0.25 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 2jkz s THR 149 CO 0.66 0.47 0.25 0.20 -0.69 0.00 0.00 174.62 175.51 2jkz s ASN 150 N 0.02 6.06 -0.04 3.53 0.01 -0.95 -5.00 114.94 118.58 2jkz s ASN 150 Ca 0.13 -0.47 -0.13 0.00 -0.71 0.00 0.00 52.86 51.68 2jkz s ASN 150 Cb -0.12 -2.14 -0.05 0.00 0.41 0.00 0.00 41.25 39.35 2jkz s ASN 150 CO 0.02 -0.25 0.35 -0.36 -1.51 0.00 0.00 177.10 175.34 2jkz s PHE 151 N 1.72 3.68 0.14 2.20 0.40 -1.26 -1.29 117.98 123.58 2jkz s PHE 151 Ca 0.06 0.87 0.08 0.00 -0.60 0.00 0.00 56.93 57.34 2jkz s PHE 151 Cb -0.18 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 2jkz s PHE 151 CO 0.10 0.63 -0.18 0.20 0.70 0.00 0.00 175.22 176.68 2jkz s GLY 152 N -0.94 1.29 0.02 4.36 0.00 0.35 -4.95 107.32 107.44 2jkz s GLY 152 Ca 0.22 -1.39 0.06 0.00 0.00 0.00 0.00 44.72 43.61 2jkz s GLY 152 CO 0.11 -1.44 -0.19 -0.42 0.00 0.00 0.00 173.10 171.16 2jkz s ILE 153 N -1.90 1.55 -0.05 0.90 1.01 -0.64 0.17 121.20 122.25 2jkz s ILE 153 Ca 0.12 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 2jkz s ILE 153 Cb -0.06 -1.32 0.04 0.00 0.01 0.00 0.00 42.46 41.12 2jkz s ILE 153 CO 0.05 0.29 0.09 0.12 0.00 0.00 0.00 174.94 175.49 2jkz s PHE 154 N -0.65 -0.04 0.01 3.97 5.36 0.39 -1.31 117.98 125.71 2jkz s PHE 154 Ca 0.07 0.35 0.02 0.00 -0.96 0.00 0.00 56.93 56.41 2jkz s PHE 154 Cb -0.08 -0.30 -0.01 0.00 -0.34 0.00 0.00 43.02 42.28 2jkz s PHE 154 CO 0.01 -0.18 -0.07 0.14 -1.46 0.00 0.00 175.22 173.66 2jkz s VAL 155 N 1.78 0.49 0.03 3.12 -7.23 -0.72 -2.27 120.40 115.59 2jkz s VAL 155 Ca -0.01 -0.57 -0.25 0.00 -1.81 0.00 0.00 61.98 59.33 2jkz s VAL 155 Cb -0.12 -0.47 -0.17 0.00 0.56 0.00 0.00 36.38 36.17 2jkz s VAL 155 CO -0.04 -0.08 1.48 -0.07 -0.31 0.00 0.00 175.10 176.08 2jkz h LEU 156 N 5.40 -0.10 -8.66 1.32 3.38 -0.89 -1.41 115.31 114.35 2jkz h LEU 156 Ca -0.31 -0.21 -0.65 0.00 0.09 0.00 0.00 57.88 56.80 2jkz h LEU 156 Cb 1.20 0.02 -0.26 0.00 0.09 0.00 0.00 40.66 41.71 2jkz h LEU 156 CO 0.46 0.15 -0.87 -1.00 0.09 0.00 0.00 178.44 177.28 2jkz s HIS 157 N -5.23 2.12 -0.30 1.13 3.76 -0.53 -2.38 115.29 113.85 2jkz s HIS 157 Ca -0.15 -0.40 -0.01 0.00 -0.15 0.00 0.00 55.06 54.36 2jkz s HIS 157 Cb 0.04 -1.27 0.10 0.00 1.11 0.00 0.00 32.58 32.56 2jkz s HIS 157 CO 0.64 0.11 0.09 0.34 -0.85 0.00 0.00 174.74 175.08 2jkz s ASP 158 N -1.20 3.97 0.31 1.40 2.15 -1.04 -0.41 116.67 121.85 2jkz s ASP 158 Ca 0.10 -1.59 -0.29 0.00 0.43 0.00 0.00 52.55 51.20 2jkz s ASP 158 Cb -0.09 -0.84 -0.10 0.00 -0.30 0.00 0.00 42.92 41.58 2jkz s ASP 158 CO 0.02 -0.41 1.38 -0.54 -0.17 0.00 0.00 175.17 175.45 2jkz s LYS 159 N 1.64 4.29 -0.83 4.34 1.02 -0.42 -1.99 119.74 127.80 2jkz s LYS 159 Ca 0.09 2.30 -0.16 0.00 0.02 0.00 0.00 55.97 58.21 2jkz s LYS 159 Cb -0.17 -3.07 0.17 0.00 -0.52 0.00 0.00 37.83 34.24 2jkz s LYS 159 CO -0.25 -0.32 0.88 1.14 -0.92 0.00 0.00 175.35 175.88 2jkz s GLN 160 N -1.32 3.52 0.05 1.68 -2.07 -0.23 -4.85 119.66 116.45 2jkz s GLN 160 Ca 0.53 -2.06 -0.17 0.00 -1.82 0.00 0.00 55.36 51.84 2jkz s GLN 160 Cb -0.41 -4.58 0.03 0.00 -1.09 0.00 0.00 33.01 26.96 2jkz s GLN 160 CO 0.51 -1.49 0.40 -1.59 -1.32 0.00 0.00 175.29 171.79 2jkz s LYS 161 N 1.40 0.93 0.19 9.60 -2.85 -1.26 -4.16 119.74 123.58 2jkz s LYS 161 Ca 0.22 -0.43 -0.32 0.00 -1.00 0.00 0.00 55.97 54.44 2jkz s LYS 161 Cb -0.10 0.41 -0.11 0.00 -2.06 0.00 0.00 37.83 35.96 2jkz s LYS 161 CO -0.07 -0.32 1.73 -1.25 0.10 0.00 0.00 175.35 175.54 2jkz s PRO 162 N -2.67 4.14 0.00 1.78 0.04 -1.26 -4.98 135.00 132.04 2jkz s PRO 162 Ca -0.04 2.58 0.00 0.00 0.04 0.00 0.00 61.00 63.58 2jkz s PRO 162 Cb -0.00 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2jkz s PRO 162 CO -0.04 -0.76 0.00 1.63 0.04 0.00 0.00 177.00 177.88 2jkz n LYS 163 N 4.34 -0.02 0.00 4.56 4.76 -1.26 -4.89 118.16 125.65 2jkz n LYS 163 Ca 0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 2jkz n LYS 163 Cb 0.36 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.55 2jkz n LYS 163 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2jkz n LYS 164 N -1.00 0.00 -3.64 1.97 5.02 -0.50 -5.03 118.16 114.98 2jkz n LYS 164 Ca 0.00 -0.39 -0.08 0.00 -2.02 0.00 0.00 58.31 55.82 2jkz n LYS 164 Cb 0.00 -0.49 -0.07 0.00 -0.02 0.00 0.00 35.03 34.45 2jkz n LYS 164 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jkz s ALA 165 N 0.00 -2.02 0.25 7.82 0.00 -1.22 -4.85 121.76 121.75 2jkz s ALA 165 Ca 0.00 1.97 0.06 0.00 0.00 0.00 0.00 51.96 53.99 2jkz s ALA 165 Cb 0.00 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 2jkz s ALA 165 CO 0.00 -0.27 0.31 -0.51 0.00 0.00 0.00 175.76 175.29 2jkz s ASP 166 N 0.52 6.01 0.09 0.00 1.01 -1.26 -4.49 116.67 118.54 2jkz s ASP 166 Ca 0.00 -0.07 0.08 0.00 0.71 0.00 0.00 52.55 53.28 2jkz s ASP 166 Cb -0.05 -1.64 -0.04 0.00 1.01 0.00 0.00 42.92 42.20 2jkz s ASP 166 CO -0.08 -0.09 -0.19 -0.76 0.21 0.00 0.00 175.17 174.26 2jkz s LEU 167 N -3.95 2.64 -0.86 1.23 1.43 -1.26 -4.80 118.68 113.11 2jkz s LEU 167 Ca 0.35 -0.52 -0.24 0.00 -1.03 0.00 0.00 54.13 52.68 2jkz s LEU 167 Cb -0.09 -1.52 -0.20 0.00 0.03 0.00 0.00 46.19 44.41 2jkz s LEU 167 CO 0.28 0.21 2.48 -0.81 0.23 0.00 0.00 176.35 178.74 2jkz n PRO 168 N 1.07 0.29 -0.51 1.29 -0.04 -1.26 -4.74 135.00 131.11 2jkz n PRO 168 Ca -0.16 -0.10 0.42 0.00 -0.04 0.00 0.00 63.50 63.62 2jkz n PRO 168 Cb 0.52 -2.07 0.64 0.00 -0.04 0.00 0.00 33.50 32.55 2jkz n PRO 168 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jkz n ALA 169 N 11.55 1.48 -0.13 0.55 0.00 -1.26 0.16 120.51 132.86 2jkz n ALA 169 Ca 0.58 0.51 -0.11 0.00 0.00 0.00 0.00 53.44 54.42 2jkz n ALA 169 Cb 0.22 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 2jkz n ALA 169 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2jkz h GLU 170 N 0.00 0.74 0.15 0.00 4.81 -1.99 -2.90 114.58 115.37 2jkz h GLU 170 Ca 0.73 -0.27 -0.29 0.00 -0.13 0.00 0.00 59.36 59.41 2jkz h GLU 170 Cb 3.21 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 32.55 2jkz h GLU 170 CO -0.01 0.86 -1.31 1.98 -0.73 0.00 0.00 179.01 179.81 2jkz h MET 171 N 0.55 0.31 -0.56 1.92 4.05 0.12 -3.20 114.93 118.12 2jkz h MET 171 Ca 0.10 -0.53 0.00 0.00 -0.28 0.00 0.00 59.70 58.99 2jkz h MET 171 Cb 0.57 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.57 2jkz h MET 171 CO 0.03 1.24 0.00 -0.11 0.23 0.00 0.00 176.91 178.31 2jkz n LEU 172 N -3.55 0.56 0.00 3.39 7.94 0.35 -2.34 117.00 123.35 2jkz n LEU 172 Ca -0.10 -0.28 0.00 0.00 -1.11 0.00 0.00 56.01 54.51 2jkz n LEU 172 Cb 1.04 -0.28 0.00 0.00 0.53 0.00 0.00 43.42 44.71 2jkz n LEU 172 CO 0.55 0.14 0.00 -3.20 -1.11 0.00 0.00 177.39 173.77 2jkz n ASN 173 N 0.17 0.00 -4.60 1.96 5.15 -1.11 -4.93 115.26 111.91 2jkz n ASN 173 Ca 0.00 -0.04 -0.40 0.00 -0.60 0.00 0.00 54.58 53.54 2jkz n ASN 173 Cb 0.14 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.31 2jkz n ASN 173 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jkz s ASP 174 N 0.00 6.37 0.00 1.20 -1.08 -0.99 -4.92 116.67 117.24 2jkz s ASP 174 Ca 0.00 0.30 0.00 0.00 -0.52 0.00 0.00 52.55 52.33 2jkz s ASP 174 Cb 0.00 -2.27 0.00 0.00 -1.46 0.00 0.00 42.92 39.19 2jkz s ASP 174 CO 0.00 -0.34 0.28 0.29 0.52 0.00 0.00 175.17 175.92 2jkz n LYS 175 N 5.58 0.54 -0.51 4.34 4.76 -1.26 -0.74 118.16 130.86 2jkz n LYS 175 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 2jkz n LYS 175 Cb 0.50 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 2jkz n LYS 175 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2jkz n ASN 176 N 0.20 0.10 0.04 4.39 3.02 -1.26 -4.84 115.26 116.91 2jkz n ASN 176 Ca 0.00 -2.03 0.00 0.00 -0.03 0.00 0.00 54.58 52.52 2jkz n ASN 176 Cb 0.13 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 2jkz n ASN 176 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jkz n ARG 177 N -0.03 0.00 -3.66 3.52 5.12 0.08 -4.39 116.66 117.30 2jkz n ARG 177 Ca 0.01 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.54 2jkz n ARG 177 Cb 0.71 -0.15 -0.09 0.00 -1.16 0.00 0.00 32.46 31.77 2jkz n ARG 177 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2jkz s TYR 178 N -2.00 3.49 -0.38 -1.55 5.04 -0.75 -1.61 117.35 119.58 2jkz s TYR 178 Ca 0.00 -2.43 -0.18 0.00 -2.44 0.00 0.00 57.07 52.02 2jkz s TYR 178 Cb 0.00 -3.33 0.01 0.00 0.35 0.00 0.00 41.96 38.99 2jkz s TYR 178 CO 0.00 -0.91 0.52 -0.06 -1.34 0.00 0.00 175.55 173.76 2jkz s PHE 179 N 0.44 3.15 -0.24 4.97 0.40 -0.43 -4.76 117.98 121.51 2jkz s PHE 179 Ca 0.13 -0.00 0.02 0.00 -0.60 0.00 0.00 56.93 56.48 2jkz s PHE 179 Cb -0.21 -3.00 0.05 0.00 0.51 0.00 0.00 43.02 40.37 2jkz s PHE 179 CO -0.04 -0.64 -0.12 0.00 0.70 0.00 0.00 175.22 175.13 2jkz s ALA 180 N 2.41 2.55 0.11 5.36 0.00 -1.26 -1.76 121.76 129.17 2jkz s ALA 180 Ca 0.18 -1.61 -0.20 0.00 0.00 0.00 0.00 51.96 50.33 2jkz s ALA 180 Cb -0.16 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 2jkz s ALA 180 CO 0.15 -0.96 1.22 0.00 0.00 0.00 0.00 175.76 176.16 2jkz n ALA 181 N 4.52 -0.42 -3.14 0.00 0.00 -0.53 -4.61 120.51 116.33 2jkz n ALA 181 Ca -0.16 0.56 -0.12 0.00 0.00 0.00 0.00 53.44 53.72 2jkz n ALA 181 Cb 0.45 0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 2jkz n ALA 181 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2jkz s LYS 182 N -4.86 0.48 0.08 0.00 2.20 -1.00 -5.01 119.74 111.63 2jkz s LYS 182 Ca -0.08 -0.21 -0.20 0.00 -0.36 0.00 0.00 55.97 55.13 2jkz s LYS 182 Cb 0.07 0.21 -0.07 0.00 -1.51 0.00 0.00 37.83 36.53 2jkz s LYS 182 CO 0.41 -0.11 0.58 0.99 -0.36 0.00 0.00 175.35 176.86 2jkz s THR 183 N -1.07 4.72 0.02 3.43 2.01 -1.26 -2.49 115.64 121.00 2jkz s THR 183 Ca -0.12 1.23 -0.00 0.00 0.31 0.00 0.00 61.69 63.12 2jkz s THR 183 Cb -0.06 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 2jkz s THR 183 CO 0.02 0.54 -0.03 0.68 -0.69 0.00 0.00 174.62 175.14 2jkz s VAL 184 N -1.13 0.12 0.67 3.82 -7.23 -0.84 -4.93 120.40 110.87 2jkz s VAL 184 Ca 0.30 -0.98 -0.17 0.00 -1.81 0.00 0.00 61.98 59.32 2jkz s VAL 184 Cb -0.20 -0.37 -0.02 0.00 0.56 0.00 0.00 36.38 36.35 2jkz s VAL 184 CO 0.19 -0.54 0.92 -0.81 -0.31 0.00 0.00 175.10 174.56 2jkz n PRO 185 N 1.47 0.67 -1.78 4.82 -0.04 -1.26 -1.06 135.00 137.81 2jkz n PRO 185 Ca -0.23 0.28 -0.20 0.00 -0.04 0.00 0.00 63.50 63.31 2jkz n PRO 185 Cb 0.56 -2.16 -0.09 0.00 -0.04 0.00 0.00 33.50 31.77 2jkz n PRO 185 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jkz s ASP 186 N -1.44 4.09 0.44 3.54 2.15 -1.26 -4.71 116.67 119.48 2jkz s ASP 186 Ca 0.74 -1.07 0.04 0.00 0.43 0.00 0.00 52.55 52.69 2jkz s ASP 186 Cb -0.38 -2.59 -0.02 0.00 -0.30 0.00 0.00 42.92 39.64 2jkz s ASP 186 CO 0.49 -4.01 0.13 -0.54 -0.17 0.00 0.00 175.17 171.07 2jkz s LYS 187 N 7.78 2.02 -0.24 4.34 1.02 -1.26 -5.11 119.74 128.29 2jkz s LYS 187 Ca 0.78 -2.26 -0.07 0.00 0.02 0.00 0.00 55.97 54.44 2jkz s LYS 187 Cb -0.05 -0.69 -0.03 0.00 -0.52 0.00 0.00 37.83 36.54 2jkz s LYS 187 CO 0.14 -0.52 0.07 -0.46 -0.92 0.00 0.00 175.35 173.66 2jkz s TRP 188 N -3.14 3.10 -0.21 3.18 -0.11 -1.26 -5.03 118.94 115.47 2jkz s TRP 188 Ca 0.19 -0.36 -0.10 0.00 1.22 0.00 0.00 56.10 57.05 2jkz s TRP 188 Cb 0.01 -2.21 -0.05 0.00 -1.50 0.00 0.00 33.47 29.72 2jkz s TRP 188 CO 0.13 -0.29 0.13 0.71 -4.62 0.00 0.00 176.95 173.01 2jkz s TYR 189 N 1.44 3.39 -0.34 5.86 1.51 -1.26 -1.37 117.35 126.59 2jkz s TYR 189 Ca 0.05 0.31 -0.12 0.00 -1.01 0.00 0.00 57.07 56.31 2jkz s TYR 189 Cb -0.15 -2.18 -0.01 0.00 -0.11 0.00 0.00 41.96 39.51 2jkz s TYR 189 CO 0.03 0.25 0.21 0.00 -1.11 0.00 0.00 175.55 174.94 2jkz s ALA 190 N 0.47 3.42 0.04 3.71 0.00 -0.17 -4.94 121.76 124.29 2jkz s ALA 190 Ca 0.08 -1.41 -0.22 0.00 0.00 0.00 0.00 51.96 50.40 2jkz s ALA 190 Cb -0.11 -2.58 -0.06 0.00 0.00 0.00 0.00 23.12 20.36 2jkz s ALA 190 CO -0.01 -0.99 0.66 0.71 0.00 0.00 0.00 175.76 176.13 2jkz s TYR 191 N 1.68 3.74 0.18 0.00 2.02 -1.26 -1.69 117.35 122.02 2jkz s TYR 191 Ca 0.05 1.34 -0.06 0.00 -0.37 0.00 0.00 57.07 58.03 2jkz s TYR 191 Cb -0.17 -2.67 0.30 0.00 -0.40 0.00 0.00 41.96 39.01 2jkz s TYR 191 CO 0.09 0.38 1.03 -0.35 -1.57 0.00 0.00 175.55 175.13 2jkz n PRO 192 N 2.50 -0.07 0.00 -1.71 -0.04 -1.11 0.83 135.00 135.41 2jkz n PRO 192 Ca -0.06 1.03 0.01 0.00 -0.04 0.00 0.00 63.50 64.45 2jkz n PRO 192 Cb 0.50 -1.54 0.07 0.00 -0.04 0.00 0.00 33.50 32.50 2jkz n PRO 192 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2jkz n TRP 193 N -5.07 0.00 -0.07 0.54 2.14 -1.26 -2.43 117.44 111.29 2jkz n TRP 193 Ca 0.10 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.60 2jkz n TRP 193 Cb 0.33 0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 30.72 2jkz n TRP 193 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 2jkz n GLU 194 N -0.57 1.68 -2.05 -2.67 1.02 0.24 -5.03 120.64 113.27 2jkz n GLU 194 Ca 0.02 -0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.76 2jkz n GLU 194 Cb 0.01 -1.36 -0.00 0.00 -0.02 0.00 0.00 31.44 30.07 2jkz n GLU 194 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2jkz s SER 195 N -4.75 6.23 -0.03 1.62 0.15 -1.02 -4.96 113.70 110.94 2jkz s SER 195 Ca -0.08 2.64 0.19 0.00 0.70 0.00 0.00 55.95 59.40 2jkz s SER 195 Cb 0.04 -2.64 0.59 0.00 -1.71 0.00 0.00 66.02 62.30 2jkz s SER 195 CO 0.56 -0.91 1.50 0.35 1.20 0.00 0.00 173.24 175.94 2jkz n THR 196 N 0.00 1.24 -2.82 6.45 -2.24 -1.26 -4.54 114.28 111.11 2jkz n THR 196 Ca 0.04 -1.08 -0.07 0.00 -2.27 0.00 0.00 64.05 60.68 2jkz n THR 196 Cb 0.44 0.39 0.01 0.00 -2.10 0.00 0.00 70.33 69.06 2jkz n THR 196 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jkz n ASP 197 N 1.21 -3.07 -0.28 3.42 -0.08 -1.26 -5.02 116.55 111.47 2jkz n ASP 197 Ca 0.22 -2.93 0.13 0.00 -1.51 0.00 0.00 54.79 50.70 2jkz n ASP 197 Cb 0.65 1.54 0.39 0.00 2.34 0.00 0.00 41.12 46.04 2jkz n ASP 197 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2jkz h ILE 198 N 4.59 0.79 -0.12 5.18 6.09 -1.92 -1.73 117.51 130.39 2jkz h ILE 198 Ca 0.04 -0.23 0.02 0.00 -1.37 0.00 0.00 64.86 63.33 2jkz h ILE 198 Cb 1.08 0.07 -0.02 0.00 0.47 0.00 0.00 36.82 38.41 2jkz h ILE 198 CO 0.10 0.12 -0.03 0.58 -3.07 0.00 0.00 178.15 175.85 2jkz h VAL 199 N 0.67 0.88 0.66 2.19 2.07 -1.98 0.71 116.25 121.44 2jkz h VAL 199 Ca 0.47 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.96 2jkz h VAL 199 Cb 0.82 0.88 0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2jkz h VAL 199 CO -0.23 0.00 -0.32 0.15 0.02 0.00 0.00 177.57 177.20 2jkz h PHE 200 N 0.00 -0.82 -0.82 1.57 3.57 -1.88 -1.33 116.94 117.23 2jkz h PHE 200 Ca 0.06 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.70 2jkz h PHE 200 Cb 0.09 0.27 -0.15 0.00 2.79 0.00 0.00 35.95 38.94 2jkz h PHE 200 CO -0.16 -0.47 -0.23 1.25 -2.23 0.00 0.00 178.31 176.46 2jkz h HIS 201 N -1.03 -0.52 0.40 0.41 2.76 -1.08 0.13 115.15 116.21 2jkz h HIS 201 Ca -0.09 0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 2jkz h HIS 201 Cb 0.71 0.36 0.00 0.00 1.55 0.00 0.00 27.41 30.03 2jkz h HIS 201 CO -0.01 -0.36 -0.19 1.15 -1.30 0.00 0.00 177.93 177.22 2jkz h THR 202 N -0.01 0.61 -0.60 6.26 2.02 0.51 -0.70 112.91 121.00 2jkz h THR 202 Ca 0.38 -0.20 0.12 0.00 0.77 0.00 0.00 66.41 67.49 2jkz h THR 202 Cb 0.60 0.71 -0.11 0.00 -1.74 0.00 0.00 68.15 67.61 2jkz h THR 202 CO -0.85 0.04 -0.13 -0.09 0.37 0.00 0.00 175.52 174.86 2jkz h ARG 203 N -0.64 0.01 0.39 6.66 2.43 0.15 0.21 114.38 123.59 2jkz h ARG 203 Ca -0.05 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2jkz h ARG 203 Cb 0.47 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2jkz h ARG 203 CO 0.09 0.01 -0.43 0.52 -1.51 0.00 0.00 179.97 178.64 2jkz h MET 204 N 0.01 -0.82 -0.66 0.20 2.86 -0.67 -1.64 114.93 114.22 2jkz h MET 204 Ca 0.29 0.06 0.14 0.00 -2.06 0.00 0.00 59.70 58.13 2jkz h MET 204 Cb 0.45 0.19 -0.11 0.00 0.06 0.00 0.00 31.60 32.18 2jkz h MET 204 CO -0.61 -0.55 -0.02 0.00 1.06 0.00 0.00 176.91 176.79 2jkz h ALA 205 N -0.53 0.63 -0.63 6.32 0.00 0.21 0.16 119.26 125.42 2jkz h ALA 205 Ca -0.03 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2jkz h ALA 205 Cb 0.77 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2jkz h ALA 205 CO -0.09 -0.41 0.34 0.82 0.00 0.00 0.00 179.25 179.92 2jkz h ILE 206 N 0.10 1.19 0.00 0.00 2.04 -0.73 0.25 117.51 120.36 2jkz h ILE 206 Ca 0.35 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2jkz h ILE 206 Cb 0.57 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2jkz h ILE 206 CO -0.58 0.21 0.00 -0.33 0.00 0.00 0.00 178.15 177.44 2jkz h GLU 207 N 0.87 0.00 -0.21 2.37 5.08 0.26 -2.62 114.58 120.33 2jkz h GLU 207 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2jkz h GLU 207 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2jkz h GLU 207 CO -0.04 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.01 2jkz n GLN 208 N -2.77 2.04 -1.10 2.33 6.02 -0.59 -4.94 117.38 118.38 2jkz n GLN 208 Ca 0.01 -1.91 -0.03 0.00 -0.01 0.00 0.00 57.00 55.06 2jkz n GLN 208 Cb 0.29 -1.40 -0.01 0.00 1.02 0.00 0.00 30.24 30.14 2jkz n GLN 208 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jkz n GLY 209 N 1.15 0.59 2.00 1.08 0.00 -0.84 -4.93 105.19 104.24 2jkz n GLY 209 Ca 0.14 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 2jkz n GLY 209 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jkz n ASN 210 N 1.56 5.23 -0.40 1.61 3.02 0.78 -4.89 115.26 122.17 2jkz n ASN 210 Ca -0.03 -3.30 0.00 0.00 -0.03 0.00 0.00 54.58 51.23 2jkz n ASN 210 Cb 0.10 -0.88 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 2jkz n ASN 210 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2jkz n ASP 211 N -0.51 1.90 -4.27 6.41 2.03 -1.26 -3.04 116.55 117.81 2jkz n ASP 211 Ca 0.45 -0.21 -0.35 0.00 0.52 0.00 0.00 54.79 55.20 2jkz n ASP 211 Cb 1.01 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 41.48 2jkz n ASP 211 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2jkz n ILE 212 N 0.00 0.46 -2.12 5.18 -5.35 -1.26 -4.75 119.36 111.52 2jkz n ILE 212 Ca 0.00 -0.38 -0.02 0.00 -0.27 0.00 0.00 62.75 62.08 2jkz n ILE 212 Cb 0.00 -0.38 -0.02 0.00 -1.74 0.00 0.00 39.64 37.50 2jkz n ILE 212 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 2jkz n PHE 213 N -2.67 0.00 -3.52 4.28 1.16 -1.26 -5.07 117.46 110.37 2jkz n PHE 213 Ca 0.05 -0.32 -0.04 0.00 -1.87 0.00 0.00 57.45 55.27 2jkz n PHE 213 Cb 0.53 0.21 -0.06 0.00 -1.61 0.00 0.00 39.48 38.55 2jkz n PHE 213 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2jkz s ILE 214 N 0.00 -0.82 0.68 1.97 1.01 -1.26 -5.18 121.20 117.60 2jkz s ILE 214 Ca 0.08 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.67 2jkz s ILE 214 Cb 0.10 -0.86 0.17 0.00 0.01 0.00 0.00 42.46 41.88 2jkz s ILE 214 CO -0.04 0.01 0.38 -0.81 0.00 0.00 0.00 174.94 174.48 2jkz n PRO 215 N 5.41 -2.87 0.00 2.79 -0.04 -1.26 -5.08 135.00 133.96 2jkz n PRO 215 Ca -0.08 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.74 2jkz n PRO 215 Cb 0.50 -0.89 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 2jkz n PRO 215 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jkz n GLU 216 N -3.33 3.26 0.00 0.54 1.02 -1.26 -5.25 120.64 115.62 2jkz n GLU 216 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2jkz n GLU 216 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.69 2jkz n GLU 216 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35